A0A096NC28_PAPAN Loading...

Ankyrin repeat domain 13A

Ubiquitin-binding protein that specifically recognizes and binds 'Lys-63'-linked ubiquitin. Does not bind 'Lys-48'-linked ubiquitin. Positively regulates the internalization of ligand-activated EGFR by binding to the Ub moiety of ubiquitinated EGFR at the cell membrane.

AlphaFold DB (H9EUG7), UniProt , Accession A0A096NC28, Species PAPAN (Papio anubis, Olive baboon), Gene ANKRD13A, Length 590 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	35.4	Very low	60	Low	252 Å²	252	95.8 Å²	95.8	100%	1.241	56%	0.564	S	S	*	*				0	84.7	0	-66.5	176	113.6	0	0	106.7
2	S	37.5	Very low	62.6	Low	118 Å²	118	93.6 Å²	93.6	83%	0.825	55%	0.554	S	S	*	*			trans	-84.1	129.3	170.3	-173.8	0	0	0	0	106	A4	S2-A4 PolarHBondContact O-N 3Å; S2-A4 VanDerWaalsContact O-N 3.13Å
3	S	40.6	Very low	65	Low	101 Å²	101	87.6 Å²	87.6	71%	0.706	52%	0.518	S	S	*	.			trans	-57.7	117.6	174.7	55	0	0	0	0	108.3	C5	S3-C5 PolarHBondContact O-N 3.49Å
4	A	43.3	Very low	67.2	Low	90 Å²	90	81.8 Å²	81.8	74%	0.744	48%	0.483	S	S	*	.			trans	-63.5	106.3	162.7	0	0	0	0	0	105.6	S2 D6	S2-A4 PolarHBondContact O-N 3Å; S2-A4 VanDerWaalsContact O-N 3.13Å; A4-D6 PolarHBondContact O-N 3.38Å
5	C	50.1	Low	68.9	Low	89 Å²	89	78 Å²	78	60%	0.601	46%	0.46	S	S	*	.			trans	-59.7	126.8	159.6	-65.9	0	0	0	0	105.7	S3 A7	S3-C5 PolarHBondContact O-N 3.49Å; C5-A7 PolarHBondContact O-N 3.31Å; C5-A7 VanDerWaalsContact O-N 3.13Å
6	D	64.6	Low	70.5	Confident	89 Å²	89	74 Å²	74	48%	0.476	44%	0.435	S	S	.	.			trans	-58	122.8	178.7	-77.9	-25.3	0	0	0	107.5	A4 S8 D9	A4-D6 PolarHBondContact O-N 3.38Å; D6-S8 PolarHBondContact O-N 2.99Å; D6-D9 VanDerWaalsContact O-CB 3.32Å; D6-D9 WeakPolarHBondContact O-CB 3.36Å; D6-D9 PolarHBondContact O-N 2.93Å
7	A	66.9	Low	72	Confident	23 Å²	23	69.6 Å²	69.6	19%	0.19	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-58.4	-24.4	-174.9	0	0	0	0	0	111.8	C5 D9 N337	C5-A7 PolarHBondContact O-N 3.31Å; C5-A7 VanDerWaalsContact O-N 3.13Å; A7-D9 VanDerWaalsContact C-N 3.3Å; A7-D9 PolarHBondContact O-N 3.27Å; A7-N337 HydrophobicContact CB-CB 3.81Å
8	S	70.3	Confident	73.2	Confident	10 Å²	10	67.6 Å²	67.6	7%	0.07	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-64.4	-25.7	172.2	56.8	0	0	0	0	114.8	D6 H10 Y11	D6-S8 PolarHBondContact O-N 2.99Å; S8-H10 PolarHBondContact O-N 3.29Å; S8-Y11 CarbonylContact O-C 3.45Å; S8-Y11 PolarHBondContact O-N 3.38Å
9	D	77.3	Confident	74.2	Confident	104 Å²	104	71.2 Å²	71.2	56%	0.556	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-68.5	-21.6	-177.4	-70.4	-12.2	0	0	0	112.5	D6 A7 Y11	D6-D9 VanDerWaalsContact O-CB 3.32Å; D6-D9 WeakPolarHBondContact O-CB 3.36Å; D6-D9 PolarHBondContact O-N 2.93Å; A7-D9 VanDerWaalsContact C-N 3.3Å; A7-D9 PolarHBondContact O-N 3.27Å; D9-Y11 VanDerWaalsContact C-N 3.27Å
10	H	84.5	Confident	75.2	Confident	133 Å²	133	70.4 Å²	70.4	62%	0.616	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-76.9	-15.8	174.9	-64.4	84	0	0	0	112.6	S8 P12	S8-H10 PolarHBondContact O-N 3.29Å; H10-P12 VanDerWaalsContact C-CD 3.42Å; H10-P12 WeakPolarHBondContact O-CD 3.32Å
11	Y	90.1	Very high	76.2	Confident	45 Å²	45	70 Å²	70	18%	0.176	40%	0.396	C	S	.	.			trans	-128	59	-175.3	-61.3	-83.3	0	0	0	111.9	S8 D9 L13 H14 L15 P39 F336 E338	S8-Y11 CarbonylContact O-C 3.45Å; S8-Y11 PolarHBondContact O-N 3.38Å; D9-Y11 VanDerWaalsContact C-N 3.27Å; Y11-L13 PolarHBondContact O-N 3.29Å; Y11-H14 AromaticContact CD1-ND1 3.98Å; Y11-H14 PolarHBondContact O-N 3.44Å; Y11-L15 PolarHBondContact O-N 3.49Å; Y11-P39 HydrophobicContact CD2-CG 3.93Å; Y11-P39 HydrophobicContact CE1-CG 4.16Å; Y11-P39 HydrophobicContact CE2-CG 3.31Å; Y11-P39 VanDerWaalsContact CZ-CD 3.44Å; Y11-P39 VanDerWaalsContact CZ-CG 3.44Å; Y11-F336 HydrophobicContact CD2-CB 4.45Å; Y11-F336 HydrophobicContact CD2-CD1 4.21Å; Y11-F336 HydrophobicContact CG-CD1 4.17Å; Y11-E338 PolarHBondContact OH-OE1 3.39Å
12	P	91.2	Very high	79	Confident	69 Å²	69	61.4 Å²	61.4	45%	0.448	35%	0.35	S	S	.	.	H	α-helix	trans	-62	-41.9	-171	24.3	-34.2	0	0	0	112.9	H10 L15 L16	H10-P12 VanDerWaalsContact C-CD 3.42Å; H10-P12 WeakPolarHBondContact O-CD 3.32Å; P12-L15 WeakPolarHBondContact O-CB 3.44Å; P12-L15 PolarHBondContact O-N 3Å; P12-L16 WeakPolarHBondContact O-CG 3.46Å; P12-L16 PolarHBondContact O-N 3.37Å; P12-L16 VanDerWaalsContact O-N 3.12Å
13	L	93.9	Very high	81.8	Confident	16 Å²	16	63.7 Å²	63.7	8%	0.084	34%	0.34	C	S	.	.	H	α-helix	trans	-65.9	-41.1	178.2	-63.7	178.8	0	0	0	112	Y11 L15 L16 V17 L25 E28 L29 Q32 L44	Y11-L13 PolarHBondContact O-N 3.29Å; L13-L15 VanDerWaalsContact C-N 3.29Å; L13-L15 PolarHBondContact O-N 3.2Å; L13-L16 HydrophobicContact CD2-CD1 4.48Å; L13-L16 WeakPolarHBondContact O-CB 3.43Å; L13-L16 PolarHBondContact O-N 3.3Å; L13-V17 WeakPolarHBondContact O-CG2 3.46Å; L13-V17 PolarHBondContact O-N 3.28Å; L13-V17 VanDerWaalsContact O-N 3.09Å; L13-L25 HydrophobicContact CD2-CD1 4.4Å; L13-E28 HydrophobicContact CD2-CB 3.79Å; L13-L29 HydrophobicContact CD1-CD2 4.33Å; L13-Q32 HydrophobicContact CD1-CB 3.87Å; L13-Q32 HydrophobicContact CD1-CG 4.18Å; L13-L44 HydrophobicContact CB-CD1 4.11Å; L13-L44 HydrophobicContact CB-CD2 3.74Å; L13-L44 HydrophobicContact CD1-CD1 4.18Å
14	H	94.7	Very high	84.3	Confident	6 Å²	6	62.7 Å²	62.7	3%	0.028	33%	0.325	C	S	.	.	H	α-helix	trans	-67	-32.7	176.9	-60.2	80.3	0	0	0	111.7	Y11 V17 W18 A36 D38 L44 L47 F336	Y11-H14 AromaticContact CD1-ND1 3.98Å; Y11-H14 PolarHBondContact O-N 3.44Å; H14-V17 PolarHBondContact O-N 2.98Å; H14-W18 WeakPolarHBondContact O-CB 3.34Å; H14-W18 PolarHBondContact O-N 3.5Å; H14-A36 PolarHBondContact NE2-O 3.01Å; H14-D38 PolarHBondContact NE2-N 2.96Å; H14-L44 HydrophobicContact CB-CD2 4.14Å; H14-L47 HydrophobicContact CB-CD2 3.84Å; H14-L47 WeakPolarHBondContact O-CD2 3.43Å; H14-F336 HydrophobicContact CB-CE1 3.52Å; H14-F336 HydrophobicContact CB-CZ 3.73Å
15	L	93.7	Very high	86.8	Confident	25 Å²	25	58.4 Å²	58.4	13%	0.131	29%	0.289	C	S	.	.	H	α-helix	trans	-66	-37.5	173.6	-173.6	64.7	0	0	0	112.1	Y11 P12 L13 W18 K19 P332 F336	Y11-L15 PolarHBondContact O-N 3.49Å; P12-L15 WeakPolarHBondContact O-CB 3.44Å; P12-L15 PolarHBondContact O-N 3Å; L13-L15 VanDerWaalsContact C-N 3.29Å; L13-L15 PolarHBondContact O-N 3.2Å; L15-W18 WeakPolarHBondContact O-CB 3.43Å; L15-W18 PolarHBondContact O-N 3.3Å; L15-K19 HydrophobicContact CG-CD 4.33Å; L15-K19 WeakPolarHBondContact O-CG 3.39Å; L15-K19 PolarHBondContact O-N 3.18Å; L15-P332 HydrophobicContact CD1-CB 4.06Å; L15-F336 HydrophobicContact CD1-CE2 4.21Å
16	L	94.8	Very high	88.9	Confident	14 Å²	14	58 Å²	58	7%	0.073	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-43.6	173	-64.6	177.2	0	0	0	111.3	P12 L13 W18 K19 N20 D21 Q24 L25 E28	P12-L16 WeakPolarHBondContact O-CG 3.46Å; P12-L16 PolarHBondContact O-N 3.37Å; P12-L16 VanDerWaalsContact O-N 3.12Å; L13-L16 HydrophobicContact CD2-CD1 4.48Å; L13-L16 WeakPolarHBondContact O-CB 3.43Å; L13-L16 PolarHBondContact O-N 3.3Å; L16-W18 VanDerWaalsContact C-N 3.35Å; L16-K19 PolarHBondContact O-N 3.03Å; L16-N20 PolarHBondContact O-N 3.31Å; L16-N20 VanDerWaalsContact O-N 3.13Å; L16-D21 HydrophobicContact CD2-CB 4.32Å; L16-D21 PolarHBondContact O-N 3.49Å; L16-Q24 HydrophobicContact CD1-CB 4.32Å; L16-Q24 HydrophobicContact CD1-CG 3.92Å; L16-Q24 HydrophobicContact CD2-CB 4.07Å; L16-Q24 HydrophobicContact CD2-CG 3.89Å; L16-L25 HydrophobicContact CB-CB 4.25Å; L16-L25 HydrophobicContact CB-CD1 4.27Å; L16-L25 HydrophobicContact CD1-CB 4.45Å; L16-E28 HydrophobicContact CD1-CB 4.36Å; L16-E28 HydrophobicContact CD1-CG 4.39Å; L16-E28 WeakPolarHBondContact CD1-OE2 3.41Å
17	V	95.3	Very high	90.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-45.8	173.8	174.5	0	0	0	0	110.8	L13 H14 K19 N20 L25 L44 L47 A48 H53 L60	L13-V17 WeakPolarHBondContact O-CG2 3.46Å; L13-V17 PolarHBondContact O-N 3.28Å; L13-V17 VanDerWaalsContact O-N 3.09Å; H14-V17 PolarHBondContact O-N 2.98Å; V17-K19 VanDerWaalsContact C-N 3.26Å; V17-K19 PolarHBondContact O-N 3.15Å; V17-N20 PolarHBondContact O-N 3.27Å; V17-L25 HydrophobicContact CG2-CD1 3.97Å; V17-L25 HydrophobicContact CG2-CD2 3.68Å; V17-L25 HydrophobicContact CG2-CG 4.49Å; V17-L44 HydrophobicContact CG2-CB 4.39Å; V17-L44 HydrophobicContact CG2-CD2 3.87Å; V17-L47 HydrophobicContact CB-CD2 4.24Å; V17-L47 HydrophobicContact CG1-CB 4.13Å; V17-L47 HydrophobicContact CG1-CD2 4.08Å; V17-L47 HydrophobicContact CG1-CG 3.91Å; V17-A48 HydrophobicContact CG1-CB 3.64Å; V17-H53 PolarHBondContact O-ND1 3Å; V17-L60 HydrophobicContact CG2-CD1 4.17Å
18	W	93.1	Very high	91.4	Very high	33 Å²	33	63.7 Å²	63.7	13%	0.125	30%	0.296	C	S	.	.	H	α-helix	trans	-57.6	-37.9	177.7	-174.5	-75	0	0	0	112.5	H14 L15 L16 N20 L47 L51 H53 I330 P332 Y335 F336 I347	H14-W18 WeakPolarHBondContact O-CB 3.34Å; H14-W18 PolarHBondContact O-N 3.5Å; L15-W18 WeakPolarHBondContact O-CB 3.43Å; L15-W18 PolarHBondContact O-N 3.3Å; L16-W18 VanDerWaalsContact C-N 3.35Å; W18-N20 VanDerWaalsContact C-N 3.29Å; W18-L47 HydrophobicContact CE3-CD1 4.14Å; W18-L47 HydrophobicContact CZ3-CD1 4.43Å; W18-L51 HydrophobicContact CB-CD1 4.48Å; W18-L51 HydrophobicContact CD2-CD1 4.26Å; W18-L51 HydrophobicContact CE3-CD1 4.07Å; W18-L51 HydrophobicContact CG-CD1 4.49Å; W18-H53 PolarHBondContact O-CE1 2.93Å; W18-H53 VanDerWaalsContact O-CE1 3.25Å; W18-I330 HydrophobicContact CH2-CG2 4.46Å; W18-I330 WeakPolarHBondContact CZ2-O 3.36Å; W18-P332 HydrophobicContact CG-CG 4.49Å; W18-Y335 HydrophobicContact CE3-CD1 4.05Å; W18-Y335 HydrophobicContact CE3-CE1 4.46Å; W18-Y335 HydrophobicContact CE3-CG 4.22Å; W18-Y335 HydrophobicContact CH2-CD2 4.07Å; W18-Y335 AromaticContact CH2-CG 3.91Å; W18-Y335 HydrophobicContact CH2-CG 3.91Å; W18-Y335 AromaticContact CZ3-CD1 3.63Å; W18-Y335 HydrophobicContact CZ3-CD1 3.63Å; W18-Y335 AromaticContact CZ3-CD2 3.66Å; W18-Y335 HydrophobicContact CZ3-CD2 3.66Å; W18-Y335 HydrophobicContact CZ3-CE1 4.13Å; W18-Y335 HydrophobicContact CZ3-CE2 4.14Å; W18-Y335 AromaticContact CZ3-CG 3.38Å; W18-Y335 HydrophobicContact CZ3-CG 3.38Å; W18-F336 HydrophobicContact CB-CE2 4.41Å; W18-F336 HydrophobicContact CB-CZ 4.46Å; W18-F336 HydrophobicContact CD2-CE2 4.45Å; W18-F336 HydrophobicContact CE3-CE2 4.25Å; W18-F336 HydrophobicContact CE3-CZ 4.26Å; W18-I347 HydrophobicContact CH2-CG2 3.65Å; W18-I347 HydrophobicContact CZ3-CG2 3.83Å
19	K	92.3	Very high	92.5	Very high	135 Å²	135	63.3 Å²	63.3	59%	0.587	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-3.4	178.3	-68.7	172.7	-178.9	172.6	0	113.6	L15 L16 V17 D21	L15-K19 HydrophobicContact CG-CD 4.33Å; L15-K19 WeakPolarHBondContact O-CG 3.39Å; L15-K19 PolarHBondContact O-N 3.18Å; L16-K19 PolarHBondContact O-N 3.03Å; V17-K19 VanDerWaalsContact C-N 3.26Å; V17-K19 PolarHBondContact O-N 3.15Å; K19-D21 PolarHBondContact O-N 3.02Å
20	N	94.4	Very high	92.9	Very high	56 Å²	56	65.7 Å²	65.7	30%	0.299	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	29.9	-168.3	-154.5	15.4	0	0	0	114.1	L16 V17 W18 Y22 H53 S56	L16-N20 PolarHBondContact O-N 3.31Å; L16-N20 VanDerWaalsContact O-N 3.13Å; V17-N20 PolarHBondContact O-N 3.27Å; W18-N20 VanDerWaalsContact C-N 3.29Å; N20-Y22 WeakPolarHBondContact O-CD1 3.43Å; N20-Y22 PolarHBondContact O-N 3.46Å; N20-H53 HydrophobicContact CB-CB 4.49Å; N20-H53 WeakPolarHBondContact CB-ND1 3.38Å; N20-H53 WeakPolarHBondContact OD1-CB 3.12Å; N20-S56 PolarHBondContact OD1-OG 3Å
21	D	95.5	Very high	92.5	Very high	62 Å²	62	63.5 Å²	63.5	33%	0.332	32%	0.315	S	S	.	.			trans	-82.4	68.6	176.2	-163.8	-21.2	0	0	0	110.5	L16 K19 R23 Q24 L25	L16-D21 HydrophobicContact CD2-CB 4.32Å; L16-D21 PolarHBondContact O-N 3.49Å; K19-D21 PolarHBondContact O-N 3.02Å; D21-R23 PolarHBondContact O-N 3.39Å; D21-Q24 HydrophobicContact CB-CB 4.41Å; D21-Q24 PolarHBondContact O-N 3.27Å; D21-Q24 WeakPolarHBondContact OD1-CB 3.31Å; D21-Q24 PolarHBondContact OD1-N 3.31Å; D21-L25 VanDerWaalsContact O-CB 3.22Å; D21-L25 WeakPolarHBondContact O-CB 3.39Å; D21-L25 PolarHBondContact O-N 2.93Å
22	Y	94.9	Very high	92.5	Very high	71 Å²	71	66.9 Å²	66.9	28%	0.278	33%	0.332	S	S	.	.	H	α-helix	trans	-61.5	-24.3	-177.5	65.4	-91.9	0	0	0	112.8	N20 E26 E55 V59	N20-Y22 WeakPolarHBondContact O-CD1 3.43Å; N20-Y22 PolarHBondContact O-N 3.46Å; Y22-E26 WeakPolarHBondContact O-CB 3.48Å; Y22-E26 PolarHBondContact O-N 2.91Å; Y22-E55 HydrophobicContact CD1-CB 3.64Å; Y22-E55 HydrophobicContact CD1-CG 4.41Å; Y22-E55 HydrophobicContact CD2-CB 4.34Å; Y22-E55 HydrophobicContact CE1-CB 4.1Å; Y22-E55 HydrophobicContact CE1-CG 4.39Å; Y22-E55 HydrophobicContact CG-CB 3.78Å; Y22-V59 HydrophobicContact CD2-CG2 4.46Å
23	R	95.6	Very high	92.4	Very high	166 Å²	166	68.4 Å²	68.4	63%	0.626	34%	0.336	S	S	*	.	H	α-helix	trans	-77.1	-42.8	-179.9	-63.9	-176.6	-178.8	177.3	-1.9	112	D21 K27	D21-R23 PolarHBondContact O-N 3.39Å; R23-K27 WeakPolarHBondContact O-CG 3.46Å
24	Q	94.7	Very high	92.4	Very high	81 Å²	81	68.5 Å²	68.5	38%	0.379	34%	0.338	S	S	.	.	H	α-helix	trans	-70.8	-39.2	173.1	-172.4	169.9	-3.3	0	0	110.2	L16 D21 E26 K27 E28	L16-Q24 HydrophobicContact CD1-CB 4.32Å; L16-Q24 HydrophobicContact CD1-CG 3.92Å; L16-Q24 HydrophobicContact CD2-CB 4.07Å; L16-Q24 HydrophobicContact CD2-CG 3.89Å; D21-Q24 HydrophobicContact CB-CB 4.41Å; D21-Q24 PolarHBondContact O-N 3.27Å; D21-Q24 WeakPolarHBondContact OD1-CB 3.31Å; D21-Q24 PolarHBondContact OD1-N 3.31Å; Q24-E26 PolarHBondContact O-N 3.49Å; Q24-K27 PolarHBondContact O-N 3.23Å; Q24-K27 VanDerWaalsContact O-N 3.15Å; Q24-E28 HydrophobicContact CG-CG 4.33Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.36Å; Q24-E28 PolarHBondContact NE2-OE1 2.99Å; Q24-E28 PolarHBondContact O-N 3.43Å
25	L	94.9	Very high	92.3	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-55.3	-48.8	174.9	-178.2	66.2	0	0	0	111.9	L13 L16 V17 D21 K27 E28 L29 V59 L60	L13-L25 HydrophobicContact CD2-CD1 4.4Å; L16-L25 HydrophobicContact CB-CB 4.25Å; L16-L25 HydrophobicContact CB-CD1 4.27Å; L16-L25 HydrophobicContact CD1-CB 4.45Å; V17-L25 HydrophobicContact CG2-CD1 3.97Å; V17-L25 HydrophobicContact CG2-CD2 3.68Å; V17-L25 HydrophobicContact CG2-CG 4.49Å; D21-L25 VanDerWaalsContact O-CB 3.22Å; D21-L25 WeakPolarHBondContact O-CB 3.39Å; D21-L25 PolarHBondContact O-N 2.93Å; L25-K27 VanDerWaalsContact C-N 3.26Å; L25-K27 PolarHBondContact O-N 3Å; L25-E28 PolarHBondContact O-N 2.91Å; L25-L29 HydrophobicContact CD1-CD1 3.95Å; L25-L29 HydrophobicContact CD1-CD2 4.38Å; L25-L29 HydrophobicContact CD1-CG 3.97Å; L25-L29 HydrophobicContact CD2-CD1 4.38Å; L25-L29 HydrophobicContact CG-CD1 3.67Å; L25-L29 HydrophobicContact CG-CG 4.17Å; L25-L29 WeakPolarHBondContact O-CB 3.29Å; L25-L29 WeakPolarHBondContact O-CG 3.41Å; L25-L29 PolarHBondContact O-N 2.96Å; L25-V59 HydrophobicContact CD2-CG1 4.43Å; L25-V59 HydrophobicContact CG-CG1 4.43Å; L25-L60 HydrophobicContact CD2-CD1 4.47Å; L25-L60 HydrophobicContact CD2-CD2 4.33Å; L25-L60 HydrophobicContact CD2-CG 4.16Å
26	E	94.3	Very high	92.3	Very high	81 Å²	81	70.4 Å²	70.4	38%	0.379	35%	0.351	S	S	.	.	H	α-helix	trans	-59.1	-35.6	178.6	-172.8	172.1	-130.2	0	0	112.8	Y22 Q24 V59	Y22-E26 WeakPolarHBondContact O-CB 3.48Å; Y22-E26 PolarHBondContact O-N 2.91Å; Q24-E26 PolarHBondContact O-N 3.49Å; E26-V59 HydrophobicContact CB-CG1 3.73Å; E26-V59 HydrophobicContact CB-CG2 4.36Å; E26-V59 HydrophobicContact CG-CG1 4.18Å
27	K	93	Very high	92.2	Very high	156 Å²	156	73.3 Å²	73.3	68%	0.678	37%	0.369	S	S	*	.	H	α-helix	trans	-72.2	-43.5	176.9	-67.8	174.1	-176.4	176.1	0	112	R23 Q24 L25	R23-K27 WeakPolarHBondContact O-CG 3.46Å; Q24-K27 PolarHBondContact O-N 3.23Å; Q24-K27 VanDerWaalsContact O-N 3.15Å; L25-K27 VanDerWaalsContact C-N 3.26Å; L25-K27 PolarHBondContact O-N 3Å
28	E	91.9	Very high	92.1	Very high	74 Å²	74	73.5 Å²	73.5	35%	0.346	37%	0.37	S	S	.	.	H	α-helix	trans	-79.6	-20.3	-174.8	-68.6	-171.6	-164.4	0	0	113.3	L13 L16 Q24 L25 Q30 Q32	L13-E28 HydrophobicContact CD2-CB 3.79Å; L16-E28 HydrophobicContact CD1-CB 4.36Å; L16-E28 HydrophobicContact CD1-CG 4.39Å; L16-E28 WeakPolarHBondContact CD1-OE2 3.41Å; Q24-E28 HydrophobicContact CG-CG 4.33Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.36Å; Q24-E28 PolarHBondContact NE2-OE1 2.99Å; Q24-E28 PolarHBondContact O-N 3.43Å; L25-E28 PolarHBondContact O-N 2.91Å; E28-Q30 PolarHBondContact O-N 3.45Å; E28-Q32 WeakPolarHBondContact O-CG 3.34Å
29	L	91.9	Very high	92	Very high	2 Å²	2	72.8 Å²	72.8	1%	0.01	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.8	177.1	-80.4	168.6	0	0	0	114.3	L13 L25 G31 Q32 V34 L44 V59 L60	L13-L29 HydrophobicContact CD1-CD2 4.33Å; L25-L29 HydrophobicContact CD1-CD1 3.95Å; L25-L29 HydrophobicContact CD1-CD2 4.38Å; L25-L29 HydrophobicContact CD1-CG 3.97Å; L25-L29 HydrophobicContact CD2-CD1 4.38Å; L25-L29 HydrophobicContact CG-CD1 3.67Å; L25-L29 HydrophobicContact CG-CG 4.17Å; L25-L29 WeakPolarHBondContact O-CB 3.29Å; L25-L29 WeakPolarHBondContact O-CG 3.41Å; L25-L29 PolarHBondContact O-N 2.96Å; L29-G31 PolarHBondContact O-N 3.37Å; L29-Q32 PolarHBondContact O-N 2.96Å; L29-V34 HydrophobicContact CD2-CG2 4.25Å; L29-L44 HydrophobicContact CD2-CD1 4.05Å; L29-V59 HydrophobicContact CD1-CG1 3.79Å; L29-L60 HydrophobicContact CD1-CD2 3.8Å; L29-L60 HydrophobicContact CD2-CD2 4.12Å
30	Q	85.8	Confident	91.8	Very high	154 Å²	154	68.5 Å²	68.5	72%	0.72	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	110.2	179.4	-67.2	-173.1	-3.2	0	0	111.4	E28 Q32	E28-Q30 PolarHBondContact O-N 3.45Å; Q30-Q32 VanDerWaalsContact C-N 3.28Å; Q30-Q32 PolarHBondContact O-N 3.22Å
31	G	77.5	Confident	91.6	Very high	88 Å²	88	66.8 Å²	66.8	91%	0.907	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	6.8	179.9	0	0	0	0	0	114.8	L29	L29-G31 PolarHBondContact O-N 3.37Å
32	Q	89.4	Confident	91.6	Very high	116 Å²	116	63.9 Å²	63.9	54%	0.542	33%	0.329	S	S	.	.	S	Bend	trans	-93.3	162.3	174.7	-65.8	-63.4	-16.6	0	0	112	L13 E28 L29 Q30 V34	L13-Q32 HydrophobicContact CD1-CB 3.87Å; L13-Q32 HydrophobicContact CD1-CG 4.18Å; E28-Q32 WeakPolarHBondContact O-CG 3.34Å; L29-Q32 PolarHBondContact O-N 2.96Å; Q30-Q32 VanDerWaalsContact C-N 3.28Å; Q30-Q32 PolarHBondContact O-N 3.22Å; Q32-V34 PolarHBondContact O-N 3.47Å
33	N	89.8	Confident	91.6	Very high	100 Å²	100	60.6 Å²	60.6	54%	0.535	32%	0.317	S	S	.	.			trans	-79.8	102.4	174.8	-173.8	8	0	0	0	110.9	E35 A36	N33-E35 PolarHBondContact O-N 2.97Å; N33-E35 WeakPolarHBondContact OD1-CA 3.33Å; N33-E35 VanDerWaalsContact OD1-CB 3.28Å; N33-E35 WeakPolarHBondContact OD1-CB 3.45Å; N33-E35 PolarHBondContact OD1-N 3.41Å; N33-A36 VanDerWaalsContact O-CB 3.32Å; N33-A36 WeakPolarHBondContact O-CB 3.35Å; N33-A36 PolarHBondContact O-N 3.48Å
34	V	92.6	Very high	91.6	Very high	19 Å²	19	52.7 Å²	52.7	12%	0.115	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.1	175.4	-169.4	0	0	0	0	111.9	L29 Q32 A36 L60 H63 A65	L29-V34 HydrophobicContact CD2-CG2 4.25Å; Q32-V34 PolarHBondContact O-N 3.47Å; V34-A36 VanDerWaalsContact C-N 3.31Å; V34-A36 PolarHBondContact O-N 3.42Å; V34-L60 HydrophobicContact CG1-CD2 4.02Å; V34-H63 HydrophobicContact CG2-CB 4.05Å; V34-A65 HydrophobicContact CG1-CB 3.62Å
35	E	93.9	Very high	91.8	Very high	41 Å²	41	49 Å²	49	19%	0.192	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	9.5	-176.9	-68.3	-50.8	133.3	0	0	114.2	N33 A65 D66 K69	N33-E35 PolarHBondContact O-N 2.97Å; N33-E35 WeakPolarHBondContact OD1-CA 3.33Å; N33-E35 VanDerWaalsContact OD1-CB 3.28Å; N33-E35 WeakPolarHBondContact OD1-CB 3.45Å; N33-E35 PolarHBondContact OD1-N 3.41Å; E35-A65 WeakPolarHBondContact OE1-CA 3.23Å; E35-D66 PolarHBondContact OE1-N 3Å; E35-K69 PolarHBondContact O-NZ 2.93Å; E35-K69 WeakPolarHBondContact OE2-CD 3.29Å; E35-K69 IonicContact OE2-NZ 3.1Å; E35-K69 PolarHBondContact OE2-NZ 3.36Å
36	A	92.1	Very high	91.8	Very high	29 Å²	29	49 Å²	49	24%	0.24	27%	0.269	C	S	.	.			trans	-58.8	137.2	174.5	0	0	0	0	0	111.4	H14 N33 V34 T43	H14-A36 PolarHBondContact NE2-O 3.01Å; N33-A36 VanDerWaalsContact O-CB 3.32Å; N33-A36 WeakPolarHBondContact O-CB 3.35Å; N33-A36 PolarHBondContact O-N 3.48Å; V34-A36 VanDerWaalsContact C-N 3.31Å; V34-A36 PolarHBondContact O-N 3.42Å; A36-T43 WeakPolarHBondContact O-CA 3.29Å
37	V	93.9	Very high	91.9	Very high	75 Å²	75	45.1 Å²	45.1	46%	0.455	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-103.2	144.4	-179.6	-65.4	0	0	0	0	110.8	R42 T43	V37-R42 CarbonylContact C-O 3.58Å; V37-R42 VanDerWaalsContact CA-O 3.29Å; V37-R42 WeakPolarHBondContact CA-O 3.25Å; V37-T43 HydrophobicContact CG1-CG2 4.25Å
38	D	92.6	Very high	92	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.027	22%	0.219	C	C	.	.			trans	-82	175.1	172.9	75.7	4.3	0	0	0	111.6	H14 R40 G41 R42 Y335 F336	H14-D38 PolarHBondContact NE2-N 2.96Å; D38-R40 PolarHBondContact O-N 3.19Å; D38-R40 VanDerWaalsContact OD1-C 3.24Å; D38-R40 VanDerWaalsContact OD1-CA 3.29Å; D38-R40 WeakPolarHBondContact OD1-CA 3.41Å; D38-R40 WeakPolarHBondContact OD1-CB 3.43Å; D38-R40 PolarHBondContact OD1-N 3.41Å; D38-G41 PolarHBondContact O-N 2.73Å; D38-G41 PolarHBondContact OD1-N 3.36Å; D38-R42 PolarHBondContact N-O 3.01Å; D38-R42 PolarHBondContact OD1-N 3.49Å; D38-Y335 WeakPolarHBondContact OD2-CE1 3.4Å; D38-Y335 VanDerWaalsContact OD2-CZ 3.28Å; D38-Y335 PolarHBondContact OD2-OH 2.95Å; D38-F336 HydrophobicContact CB-CE1 4.38Å
39	P	90.6	Very high	92.2	Very high	17 Å²	17	34.1 Å²	34.1	11%	0.11	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-23.8	174.7	-35.2	43.4	0	0	0	115.4	Y11 F336 E338	Y11-P39 HydrophobicContact CD2-CG 3.93Å; Y11-P39 HydrophobicContact CE1-CG 4.16Å; Y11-P39 HydrophobicContact CE2-CG 3.31Å; Y11-P39 VanDerWaalsContact CZ-CD 3.44Å; Y11-P39 VanDerWaalsContact CZ-CG 3.44Å; P39-F336 HydrophobicContact CG-CD1 4.48Å; P39-F336 WeakPolarHBondContact CG-O 3.47Å; P39-E338 HydrophobicContact CB-CG 3.61Å; P39-E338 HydrophobicContact CG-CG 3.97Å
40	R	89.3	Confident	92.3	Very high	46 Å²	46	34.3 Å²	34.3	17%	0.174	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	0.6	-177.6	-50.6	-52.8	176.4	-160.3	5.2	111.6	D38 E334 Y335 N337 F340	D38-R40 PolarHBondContact O-N 3.19Å; D38-R40 VanDerWaalsContact OD1-C 3.24Å; D38-R40 VanDerWaalsContact OD1-CA 3.29Å; D38-R40 WeakPolarHBondContact OD1-CA 3.41Å; D38-R40 WeakPolarHBondContact OD1-CB 3.43Å; D38-R40 PolarHBondContact OD1-N 3.41Å; R40-E334 PolarHBondContact NH2-O 3.46Å; R40-E334 VanDerWaalsContact NH2-O 3.16Å; R40-Y335 HydrophobicContact CG-CD2 4.43Å; R40-Y335 HydrophobicContact CG-CE1 4.23Å; R40-Y335 HydrophobicContact CG-CE2 3.85Å; R40-Y335 PolarHBondContact NE-O 2.89Å; R40-Y335 PolarHBondContact NH2-O 3.47Å; R40-Y335 VanDerWaalsContact NH2-O 3.11Å; R40-N337 PolarHBondContact NH2-O 2.92Å; R40-F340 PolarHBondContact NH2-O 3.3Å
41	G	90.3	Very high	92.6	Very high	19 Å²	19	27.6 Å²	27.6	20%	0.196	17%	0.173	C	C	.	.	S	Bend	trans	75.4	27.6	178.6	0	0	0	0	0	113.6	D38 N71 R72	D38-G41 PolarHBondContact O-N 2.73Å; D38-G41 PolarHBondContact OD1-N 3.36Å; G41-N71 WeakPolarHBondContact O-CA 3.43Å; G41-R72 PolarHBondContact O-N 2.98Å
42	R	94	Very high	93.3	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.008	14%	0.142	C	C	.	.			trans	-98.4	138.9	171.1	-69.8	-176.5	169.5	111.2	-3.1	110	V37 D38 H46 N71 Y335 D346 I347	V37-R42 CarbonylContact C-O 3.58Å; V37-R42 VanDerWaalsContact CA-O 3.29Å; V37-R42 WeakPolarHBondContact CA-O 3.25Å; D38-R42 PolarHBondContact N-O 3.01Å; D38-R42 PolarHBondContact OD1-N 3.49Å; R42-H46 HydrophobicContact CB-CB 3.74Å; R42-H46 HydrophobicContact CG-CB 4.06Å; R42-N71 HydrophobicContact CG-CB 4.47Å; R42-Y335 WeakPolarHBondContact CD-OH 3.41Å; R42-Y335 PolarHBondContact NH1-OH 3.09Å; R42-D346 IonicContact CZ-OD1 2.81Å; R42-D346 VanDerWaalsContact CZ-OD1 3.3Å; R42-D346 IonicContact CZ-OD2 3.3Å; R42-D346 IonicContact NH1-OD1 3.24Å; R42-D346 PolarHBondContact NH1-OD1 3.34Å; R42-D346 IonicContact NH1-OD2 2.77Å; R42-D346 IonicContact NH2-OD1 3.64Å; R42-D346 PolarHBondContact NH2-OD1 2.88Å; R42-D346 IonicContact NH2-OD2 2.92Å; R42-D346 PolarHBondContact NH2-OD2 3.41Å; R42-I347 VanDerWaalsContact NH1-CG1 3.34Å
43	T	95.8	Very high	93.6	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-70.8	167.4	166.9	66.8	0	0	0	0	110.7	A36 V37 L45 H46 L47 K69	A36-T43 WeakPolarHBondContact O-CA 3.29Å; V37-T43 HydrophobicContact CG1-CG2 4.25Å; T43-L45 PolarHBondContact O-N 3.18Å; T43-L45 PolarHBondContact OG1-N 2.99Å; T43-H46 PolarHBondContact O-N 3.4Å; T43-H46 PolarHBondContact OG1-N 3.49Å; T43-H46 PolarHBondContact OG1-ND1 3.25Å; T43-L47 PolarHBondContact O-N 3.27Å; T43-K69 HydrophobicContact CG2-CD 3.79Å; T43-K69 HydrophobicContact CG2-CG 4.33Å
44	L	96.4	Very high	93.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-50.6	-42	171.5	-68.8	169.7	0	0	0	111.8	L13 H14 V17 L29 L47 A48 L60	L13-L44 HydrophobicContact CB-CD1 4.11Å; L13-L44 HydrophobicContact CB-CD2 3.74Å; L13-L44 HydrophobicContact CD1-CD1 4.18Å; H14-L44 HydrophobicContact CB-CD2 4.14Å; V17-L44 HydrophobicContact CG2-CB 4.39Å; V17-L44 HydrophobicContact CG2-CD2 3.87Å; L29-L44 HydrophobicContact CD2-CD1 4.05Å; L44-L47 PolarHBondContact O-N 3.35Å; L44-A48 PolarHBondContact O-N 3.05Å; L44-L60 VanDerWaalsContact C-CD1 3.5Å; L44-L60 HydrophobicContact CB-CD1 3.85Å; L44-L60 HydrophobicContact CB-CD2 3.65Å; L44-L60 HydrophobicContact CB-CG 4.42Å; L44-L60 HydrophobicContact CD1-CD2 3.96Å; L44-L60 HydrophobicContact CG-CD2 4.42Å; L44-L60 WeakPolarHBondContact O-CD1 3.43Å
45	L	97.1	Very high	94	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-70	-42.1	-179.5	-177.4	59.6	0	0	0	112.2	T43 L47 A48 V49 A57 L60 L61 A65 V67 V77	T43-L45 PolarHBondContact O-N 3.18Å; T43-L45 PolarHBondContact OG1-N 2.99Å; L45-L47 VanDerWaalsContact C-N 3.27Å; L45-L47 PolarHBondContact O-N 3.39Å; L45-A48 PolarHBondContact O-N 2.99Å; L45-V49 HydrophobicContact CD1-CG2 4.12Å; L45-V49 HydrophobicContact CG-CG2 4.49Å; L45-V49 WeakPolarHBondContact O-CB 3.38Å; L45-V49 VanDerWaalsContact O-CG2 3.31Å; L45-V49 WeakPolarHBondContact O-CG2 3.48Å; L45-V49 PolarHBondContact O-N 3.4Å; L45-A57 HydrophobicContact CD1-CB 3.93Å; L45-L60 HydrophobicContact CB-CD1 4.35Å; L45-L60 HydrophobicContact CD1-CB 4.23Å; L45-L60 HydrophobicContact CD1-CD1 4.5Å; L45-L61 HydrophobicContact CD1-CD2 4.27Å; L45-L61 HydrophobicContact CD1-CG 4.07Å; L45-L61 HydrophobicContact CD2-CD2 3.63Å; L45-L61 HydrophobicContact CD2-CG 4.31Å; L45-A65 HydrophobicContact CB-CB 4.13Å; L45-A65 HydrophobicContact CD2-CB 3.79Å; L45-A65 HydrophobicContact CG-CB 4.5Å; L45-V67 HydrophobicContact CD2-CG1 3.71Å; L45-V77 HydrophobicContact CD1-CG1 4.45Å; L45-V77 HydrophobicContact CD2-CB 4.41Å; L45-V77 HydrophobicContact CD2-CG1 3.81Å; L45-V77 HydrophobicContact CD2-CG2 3.99Å; L45-V77 HydrophobicContact CG-CG1 3.69Å; L45-V77 HydrophobicContact CG-CG2 4.13Å
46	H	96.2	Very high	94.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-57.8	-41.5	172.8	-76.9	97.6	0	0	0	112	R42 T43 S50 K69 W75 V77	R42-H46 HydrophobicContact CB-CB 3.74Å; R42-H46 HydrophobicContact CG-CB 4.06Å; T43-H46 PolarHBondContact O-N 3.4Å; T43-H46 PolarHBondContact OG1-N 3.49Å; T43-H46 PolarHBondContact OG1-ND1 3.25Å; H46-S50 VanDerWaalsContact O-CB 3.28Å; H46-S50 WeakPolarHBondContact O-CB 3.49Å; H46-S50 PolarHBondContact O-N 2.98Å; H46-S50 PolarHBondContact O-OG 2.96Å; H46-K69 PolarHBondContact CE1-O 2.83Å; H46-K69 PolarHBondContact NE2-O 2.95Å; H46-W75 PolarHBondContact NE2-O 3.46Å; H46-V77 PolarHBondContact NE2-N 2.89Å
47	L	95.4	Very high	94.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65.4	-47.5	178.8	-178.1	60.8	0	0	0	111.3	H14 V17 W18 T43 L44 L45 V49 S50 L51 Y335 F336 I347	H14-L47 HydrophobicContact CB-CD2 3.84Å; H14-L47 WeakPolarHBondContact O-CD2 3.43Å; V17-L47 HydrophobicContact CB-CD2 4.24Å; V17-L47 HydrophobicContact CG1-CB 4.13Å; V17-L47 HydrophobicContact CG1-CD2 4.08Å; V17-L47 HydrophobicContact CG1-CG 3.91Å; W18-L47 HydrophobicContact CE3-CD1 4.14Å; W18-L47 HydrophobicContact CZ3-CD1 4.43Å; T43-L47 PolarHBondContact O-N 3.27Å; L44-L47 PolarHBondContact O-N 3.35Å; L45-L47 VanDerWaalsContact C-N 3.27Å; L45-L47 PolarHBondContact O-N 3.39Å; L47-V49 VanDerWaalsContact C-N 3.34Å; L47-V49 PolarHBondContact O-N 2.96Å; L47-S50 PolarHBondContact O-N 3.43Å; L47-L51 HydrophobicContact CD1-CD1 3.81Å; L47-L51 HydrophobicContact CD1-CG 4.19Å; L47-L51 HydrophobicContact CG-CD1 4.02Å; L47-L51 WeakPolarHBondContact O-CB 3.31Å; L47-L51 WeakPolarHBondContact O-CG 3.43Å; L47-L51 PolarHBondContact O-N 3.39Å; L47-Y335 HydrophobicContact CD1-CE1 4.17Å; L47-F336 HydrophobicContact CD2-CZ 4.26Å; L47-I347 HydrophobicContact CD1-CD1 3.38Å
48	A	96.3	Very high	94.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.1	-46	177.4	0	0	0	0	0	111.7	V17 L44 L45 G52 H53 A57 L60	V17-A48 HydrophobicContact CG1-CB 3.64Å; L44-A48 PolarHBondContact O-N 3.05Å; L45-A48 PolarHBondContact O-N 2.99Å; A48-G52 PolarHBondContact O-N 3.03Å; A48-G52 VanDerWaalsContact O-N 3.15Å; A48-H53 PolarHBondContact O-N 2.94Å; A48-A57 HydrophobicContact CB-CB 4.14Å; A48-L60 HydrophobicContact CB-CD1 3.98Å
49	V	95.8	Very high	94.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.7	-46.4	179.1	172.5	0	0	0	0	111.4	L45 L47 L51 G52 A57 V77 E80 A81 T84 M89 V93	L45-V49 HydrophobicContact CD1-CG2 4.12Å; L45-V49 HydrophobicContact CG-CG2 4.49Å; L45-V49 WeakPolarHBondContact O-CB 3.38Å; L45-V49 VanDerWaalsContact O-CG2 3.31Å; L45-V49 WeakPolarHBondContact O-CG2 3.48Å; L45-V49 PolarHBondContact O-N 3.4Å; L47-V49 VanDerWaalsContact C-N 3.34Å; L47-V49 PolarHBondContact O-N 2.96Å; V49-L51 PolarHBondContact O-N 2.94Å; V49-G52 PolarHBondContact O-N 3.4Å; V49-A57 HydrophobicContact CG2-CB 4.36Å; V49-V77 HydrophobicContact CB-CG1 4.48Å; V49-V77 HydrophobicContact CG2-CG1 3.77Å; V49-E80 HydrophobicContact CG1-CB 4.03Å; V49-A81 VanDerWaalsContact CG1-CA 3.42Å; V49-A81 HydrophobicContact CG1-CB 3.78Å; V49-A81 VanDerWaalsContact CG1-N 3.35Å; V49-T84 HydrophobicContact CG1-CG2 4.23Å; V49-T84 WeakPolarHBondContact O-CG2 3.38Å; V49-M89 HydrophobicContact CB-SD 4.46Å; V49-M89 HydrophobicContact CG1-CG 4.24Å; V49-M89 HydrophobicContact CG1-SD 4.47Å; V49-M89 HydrophobicContact CG2-SD 3.87Å; V49-V93 HydrophobicContact CG2-CG2 4.19Å
50	S	93.1	Very high	94.9	Very high	5 Å²	5	14.4 Å²	14.4	4%	0.035	8%	0.076	C	C	.	.	H	α-helix	trans	-61.6	-32.4	-179.7	-57.5	0	0	0	0	112.6	H46 L47 G348	H46-S50 VanDerWaalsContact O-CB 3.28Å; H46-S50 WeakPolarHBondContact O-CB 3.49Å; H46-S50 PolarHBondContact O-N 2.98Å; H46-S50 PolarHBondContact O-OG 2.96Å; L47-S50 PolarHBondContact O-N 3.43Å; S50-G348 VanDerWaalsContact O-CA 3.3Å; S50-G348 WeakPolarHBondContact O-CA 3.06Å
51	L	92.4	Very high	95.2	Very high	13 Å²	13	12.6 Å²	12.6	7%	0.068	7%	0.07	C	C	.	.	H	α-helix	trans	-84.1	-9	175.4	-65.4	173.2	0	0	0	113.2	W18 L47 V49 H53 N325 I347	W18-L51 HydrophobicContact CB-CD1 4.48Å; W18-L51 HydrophobicContact CD2-CD1 4.26Å; W18-L51 HydrophobicContact CE3-CD1 4.07Å; W18-L51 HydrophobicContact CG-CD1 4.49Å; L47-L51 HydrophobicContact CD1-CD1 3.81Å; L47-L51 HydrophobicContact CD1-CG 4.19Å; L47-L51 HydrophobicContact CG-CD1 4.02Å; L47-L51 WeakPolarHBondContact O-CB 3.31Å; L47-L51 WeakPolarHBondContact O-CG 3.43Å; L47-L51 PolarHBondContact O-N 3.39Å; V49-L51 PolarHBondContact O-N 2.94Å; L51-H53 PolarHBondContact O-CD2 3.5Å; L51-N325 WeakPolarHBondContact O-CB 3.15Å; L51-N325 PolarHBondContact O-ND2 3.17Å; L51-I347 HydrophobicContact CD2-CB 4.11Å; L51-I347 HydrophobicContact CD2-CD1 4.06Å; L51-I347 HydrophobicContact CD2-CG2 4.22Å; L51-I347 HydrophobicContact CG-CD1 4.17Å
52	G	92.2	Very high	95.2	Very high	26 Å²	26	19 Å²	19	27%	0.268	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	23.9	-175.9	0	0	0	0	0	114.2	A48 V49 L54	A48-G52 PolarHBondContact O-N 3.03Å; A48-G52 VanDerWaalsContact O-N 3.15Å; V49-G52 PolarHBondContact O-N 3.4Å; G52-L54 PolarHBondContact O-N 3.36Å; G52-L54 VanDerWaalsContact O-N 3.12Å
53	H	95.2	Very high	95.1	Very high	37 Å²	37	21.8 Å²	21.8	17%	0.171	10%	0.101	C	C	.	.			trans	-86.6	77.1	-175.6	-71	-161.8	0	0	0	110.7	V17 W18 N20 A48 L51 E55 S56 A57	V17-H53 PolarHBondContact O-ND1 3Å; W18-H53 PolarHBondContact O-CE1 2.93Å; W18-H53 VanDerWaalsContact O-CE1 3.25Å; N20-H53 HydrophobicContact CB-CB 4.49Å; N20-H53 WeakPolarHBondContact CB-ND1 3.38Å; N20-H53 WeakPolarHBondContact OD1-CB 3.12Å; A48-H53 PolarHBondContact O-N 2.94Å; L51-H53 PolarHBondContact O-CD2 3.5Å; H53-E55 VanDerWaalsContact C-N 3.34Å; H53-E55 PolarHBondContact O-N 3.08Å; H53-S56 PolarHBondContact O-N 2.88Å; H53-A57 PolarHBondContact O-N 3.33Å
54	L	95.6	Very high	94.9	Very high	21 Å²	21	30.5 Å²	30.5	11%	0.11	14%	0.139	C	C	.	.	H	α-helix	trans	-54.9	-43.8	-173.4	-176.3	65.3	0	0	0	113.7	G52 A57 R58 E88 M89	G52-L54 PolarHBondContact O-N 3.36Å; G52-L54 VanDerWaalsContact O-N 3.12Å; L54-A57 WeakPolarHBondContact O-CB 3.47Å; L54-A57 PolarHBondContact O-N 3.43Å; L54-R58 WeakPolarHBondContact O-CG 3.44Å; L54-R58 PolarHBondContact O-N 3.34Å; L54-E88 HydrophobicContact CD2-CB 4.31Å; L54-E88 VanDerWaalsContact CD2-CD 3.4Å; L54-E88 HydrophobicContact CD2-CG 3.72Å; L54-M89 HydrophobicContact CB-CE 3.95Å; L54-M89 HydrophobicContact CD1-CB 4.49Å; L54-M89 HydrophobicContact CD1-CE 4.02Å; L54-M89 HydrophobicContact CD1-SD 3.98Å
55	E	96.3	Very high	94.7	Very high	64 Å²	64	30.9 Å²	30.9	30%	0.299	14%	0.142	S	C	.	.	H	α-helix	trans	-67.3	-40.6	-179.1	-64	-53.4	130.2	0	0	112.7	Y22 H53 A57 R58 V59	Y22-E55 HydrophobicContact CD1-CB 3.64Å; Y22-E55 HydrophobicContact CD1-CG 4.41Å; Y22-E55 HydrophobicContact CD2-CB 4.34Å; Y22-E55 HydrophobicContact CE1-CB 4.1Å; Y22-E55 HydrophobicContact CE1-CG 4.39Å; Y22-E55 HydrophobicContact CG-CB 3.78Å; H53-E55 VanDerWaalsContact C-N 3.34Å; H53-E55 PolarHBondContact O-N 3.08Å; E55-A57 VanDerWaalsContact C-N 3.32Å; E55-A57 PolarHBondContact O-N 2.94Å; E55-R58 PolarHBondContact O-N 3.31Å; E55-R58 IonicContact OE1-CZ 3.41Å; E55-R58 IonicContact OE1-NH1 2.92Å; E55-R58 PolarHBondContact OE1-NH1 3.16Å; E55-R58 IonicContact OE2-NH1 2.62Å; E55-V59 WeakPolarHBondContact O-CG2 3.44Å; E55-V59 PolarHBondContact O-N 3.35Å
56	S	96.6	Very high	94.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.4	-40.2	172.8	-64.2	0	0	0	0	111.1	N20 H53 V59 L60	N20-S56 PolarHBondContact OD1-OG 3Å; H53-S56 PolarHBondContact O-N 2.88Å; S56-V59 PolarHBondContact O-N 3.38Å; S56-L60 WeakPolarHBondContact O-CD1 3.48Å; S56-L60 VanDerWaalsContact O-CG 3.26Å; S56-L60 WeakPolarHBondContact O-CG 3.5Å; S56-L60 PolarHBondContact O-N 2.97Å
57	A	97.1	Very high	93.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.8	-45.1	174.8	0	0	0	0	0	111.8	L45 A48 V49 H53 L54 E55 V59 L60 L61 M89	L45-A57 HydrophobicContact CD1-CB 3.93Å; A48-A57 HydrophobicContact CB-CB 4.14Å; V49-A57 HydrophobicContact CG2-CB 4.36Å; H53-A57 PolarHBondContact O-N 3.33Å; L54-A57 WeakPolarHBondContact O-CB 3.47Å; L54-A57 PolarHBondContact O-N 3.43Å; E55-A57 VanDerWaalsContact C-N 3.32Å; E55-A57 PolarHBondContact O-N 2.94Å; A57-V59 PolarHBondContact O-N 3.39Å; A57-L60 PolarHBondContact O-N 2.86Å; A57-L61 WeakPolarHBondContact O-CB 3.39Å; A57-L61 WeakPolarHBondContact O-CG 3.25Å; A57-L61 PolarHBondContact O-N 3.3Å; A57-M89 HydrophobicContact CB-SD 4.1Å
58	R	95.9	Very high	93.3	Very high	63 Å²	63	35.7 Å²	35.7	24%	0.238	17%	0.17	C	C	.	.	H	α-helix	trans	-58.1	-44.6	175.9	-76.2	173.8	174	165.4	-1.1	112.6	L54 E55 L61 R62 E88 T92	L54-R58 WeakPolarHBondContact O-CG 3.44Å; L54-R58 PolarHBondContact O-N 3.34Å; E55-R58 PolarHBondContact O-N 3.31Å; E55-R58 IonicContact OE1-CZ 3.41Å; E55-R58 IonicContact OE1-NH1 2.92Å; E55-R58 PolarHBondContact OE1-NH1 3.16Å; E55-R58 IonicContact OE2-NH1 2.62Å; R58-L61 PolarHBondContact O-N 3.2Å; R58-R62 WeakPolarHBondContact O-CG 3.37Å; R58-R62 PolarHBondContact O-N 3.19Å; R58-E88 IonicContact CZ-OE1 2.79Å; R58-E88 IonicContact NH1-OE1 2.68Å; R58-E88 IonicContact NH2-OE1 3.77Å; R58-E88 PolarHBondContact NH2-OE1 3.39Å; R58-T92 HydrophobicContact CG-CG2 4.11Å
59	V	95.8	Very high	92.8	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-49	176.5	169.1	0	0	0	0	110.4	Y22 L25 E26 L29 E55 S56 A57 L61 R62 H63	Y22-V59 HydrophobicContact CD2-CG2 4.46Å; L25-V59 HydrophobicContact CD2-CG1 4.43Å; L25-V59 HydrophobicContact CG-CG1 4.43Å; E26-V59 HydrophobicContact CB-CG1 3.73Å; E26-V59 HydrophobicContact CB-CG2 4.36Å; E26-V59 HydrophobicContact CG-CG1 4.18Å; L29-V59 HydrophobicContact CD1-CG1 3.79Å; E55-V59 WeakPolarHBondContact O-CG2 3.44Å; E55-V59 PolarHBondContact O-N 3.35Å; S56-V59 PolarHBondContact O-N 3.38Å; A57-V59 PolarHBondContact O-N 3.39Å; V59-L61 VanDerWaalsContact C-N 3.33Å; V59-L61 PolarHBondContact O-N 3.16Å; V59-R62 PolarHBondContact O-N 3.05Å; V59-H63 PolarHBondContact O-CD2 2.88Å; V59-H63 VanDerWaalsContact O-CD2 3.31Å; V59-H63 PolarHBondContact O-N 3.14Å; V59-H63 VanDerWaalsContact O-N 3.11Å
60	L	96.4	Very high	92.5	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-41.4	179.6	-68.3	164.9	0	0	0	112.2	V17 L25 L29 V34 L44 L45 A48 S56 A57 H63 K64 A65	V17-L60 HydrophobicContact CG2-CD1 4.17Å; L25-L60 HydrophobicContact CD2-CD1 4.47Å; L25-L60 HydrophobicContact CD2-CD2 4.33Å; L25-L60 HydrophobicContact CD2-CG 4.16Å; L29-L60 HydrophobicContact CD1-CD2 3.8Å; L29-L60 HydrophobicContact CD2-CD2 4.12Å; V34-L60 HydrophobicContact CG1-CD2 4.02Å; L44-L60 VanDerWaalsContact C-CD1 3.5Å; L44-L60 HydrophobicContact CB-CD1 3.85Å; L44-L60 HydrophobicContact CB-CD2 3.65Å; L44-L60 HydrophobicContact CB-CG 4.42Å; L44-L60 HydrophobicContact CD1-CD2 3.96Å; L44-L60 HydrophobicContact CG-CD2 4.42Å; L44-L60 WeakPolarHBondContact O-CD1 3.43Å; L45-L60 HydrophobicContact CB-CD1 4.35Å; L45-L60 HydrophobicContact CD1-CB 4.23Å; L45-L60 HydrophobicContact CD1-CD1 4.5Å; A48-L60 HydrophobicContact CB-CD1 3.98Å; S56-L60 WeakPolarHBondContact O-CD1 3.48Å; S56-L60 VanDerWaalsContact O-CG 3.26Å; S56-L60 WeakPolarHBondContact O-CG 3.5Å; S56-L60 PolarHBondContact O-N 2.97Å; A57-L60 PolarHBondContact O-N 2.86Å; L60-H63 CarbonylContact O-C 3.55Å; L60-H63 WeakPolarHBondContact O-CA 3.46Å; L60-H63 PolarHBondContact O-N 3.19Å; L60-H63 VanDerWaalsContact O-N 3.12Å; L60-K64 PolarHBondContact O-N 3Å; L60-A65 HydrophobicContact CB-CB 4.13Å; L60-A65 VanDerWaalsContact O-CB 3.24Å; L60-A65 WeakPolarHBondContact O-CB 3.23Å; L60-A65 PolarHBondContact O-N 2.8Å; L60-A65 VanDerWaalsContact O-N 3.08Å
61	L	94.5	Very high	92.4	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-64.9	-38	176.9	-70.9	170.1	0	0	0	112.7	L45 A57 R58 V59 H63 K64 V67 T92 H96	L45-L61 HydrophobicContact CD1-CD2 4.27Å; L45-L61 HydrophobicContact CD1-CG 4.07Å; L45-L61 HydrophobicContact CD2-CD2 3.63Å; L45-L61 HydrophobicContact CD2-CG 4.31Å; A57-L61 WeakPolarHBondContact O-CB 3.39Å; A57-L61 WeakPolarHBondContact O-CG 3.25Å; A57-L61 PolarHBondContact O-N 3.3Å; R58-L61 PolarHBondContact O-N 3.2Å; V59-L61 VanDerWaalsContact C-N 3.33Å; V59-L61 PolarHBondContact O-N 3.16Å; L61-H63 PolarHBondContact O-N 3.45Å; L61-K64 PolarHBondContact O-N 3.3Å; L61-V67 HydrophobicContact CD2-CG1 3.39Å; L61-T92 HydrophobicContact CD1-CG2 3.78Å; L61-H96 HydrophobicContact CD1-CB 4.33Å; L61-H96 HydrophobicContact CD2-CB 3.83Å
62	R	91.8	Very high	92.1	Very high	154 Å²	154	53 Å²	53	58%	0.581	24%	0.241	S	C	*	.	H	α-helix	trans	-63.4	-31.8	171.8	-72.3	176.2	-168.5	146.9	6.7	112.5	R58 V59 K64	R58-R62 WeakPolarHBondContact O-CG 3.37Å; R58-R62 PolarHBondContact O-N 3.19Å; V59-R62 PolarHBondContact O-N 3.05Å; R62-K64 PolarHBondContact O-N 3.12Å
63	H	92.1	Very high	91.8	Very high	60 Å²	60	55 Å²	55	28%	0.278	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	18	173.4	-79.2	-96.9	0	0	0	113.4	V34 V59 L60 L61 A65	V34-H63 HydrophobicContact CG2-CB 4.05Å; V59-H63 PolarHBondContact O-CD2 2.88Å; V59-H63 VanDerWaalsContact O-CD2 3.31Å; V59-H63 PolarHBondContact O-N 3.14Å; V59-H63 VanDerWaalsContact O-N 3.11Å; L60-H63 CarbonylContact O-C 3.55Å; L60-H63 WeakPolarHBondContact O-CA 3.46Å; L60-H63 PolarHBondContact O-N 3.19Å; L60-H63 VanDerWaalsContact O-N 3.12Å; L61-H63 PolarHBondContact O-N 3.45Å; H63-A65 VanDerWaalsContact C-N 3.34Å; H63-A65 PolarHBondContact O-N 3.23Å
64	K	89.8	Confident	91.4	Very high	186 Å²	186	53.9 Å²	53.9	81%	0.809	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	35.1	176.5	-53.6	-174.9	176.9	-169.9	0	114.2	L60 L61 R62 D66	L60-K64 PolarHBondContact O-N 3Å; L61-K64 PolarHBondContact O-N 3.3Å; R62-K64 PolarHBondContact O-N 3.12Å; K64-D66 PolarHBondContact O-N 3.48Å
65	A	92.9	Very high	91.1	Very high	7 Å²	7	53.1 Å²	53.1	6%	0.058	24%	0.237	C	C	.	.			trans	-56.2	134.5	167.6	0	0	0	0	0	110.8	V34 E35 L45 L60 H63 V67	V34-A65 HydrophobicContact CG1-CB 3.62Å; E35-A65 WeakPolarHBondContact OE1-CA 3.23Å; L45-A65 HydrophobicContact CB-CB 4.13Å; L45-A65 HydrophobicContact CD2-CB 3.79Å; L45-A65 HydrophobicContact CG-CB 4.5Å; L60-A65 HydrophobicContact CB-CB 4.13Å; L60-A65 VanDerWaalsContact O-CB 3.24Å; L60-A65 WeakPolarHBondContact O-CB 3.23Å; L60-A65 PolarHBondContact O-N 2.8Å; L60-A65 VanDerWaalsContact O-N 3.08Å; H63-A65 VanDerWaalsContact C-N 3.34Å; H63-A65 PolarHBondContact O-N 3.23Å; A65-V67 PolarHBondContact O-N 3.47Å
66	D	88.7	Confident	90.8	Very high	42 Å²	42	51.1 Å²	51.1	23%	0.225	23%	0.23	C	C	.	.			trans	-76.7	116	179.7	-177	1.7	0	0	0	110.7	E35 K64 T68 K69	E35-D66 PolarHBondContact OE1-N 3Å; K64-D66 PolarHBondContact O-N 3.48Å; D66-T68 WeakPolarHBondContact OD1-CA 3.23Å; D66-T68 WeakPolarHBondContact OD1-CB 3.43Å; D66-T68 PolarHBondContact OD1-N 3.1Å; D66-T68 PolarHBondContact OD1-OG1 3.19Å; D66-T68 PolarHBondContact OD2-OG1 3.37Å; D66-K69 HydrophobicContact CB-CB 4.32Å
67	V	88.3	Confident	90.7	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.018	23%	0.23	C	C	.	.	S	Bend	trans	-81.6	-16.3	178.7	-83.7	0	0	0	0	113.4	L45 L61 A65 V77 V93 R97 H100	L45-V67 HydrophobicContact CD2-CG1 3.71Å; L61-V67 HydrophobicContact CD2-CG1 3.39Å; A65-V67 PolarHBondContact O-N 3.47Å; V67-V77 HydrophobicContact CG1-CG1 4.46Å; V67-V93 HydrophobicContact CG1-CG1 4.06Å; V67-R97 HydrophobicContact CB-CB 4.3Å; V67-R97 VanDerWaalsContact CG2-CA 3.42Å; V67-R97 HydrophobicContact CG2-CB 3.74Å; V67-R97 HydrophobicContact CG2-CG 4.34Å; V67-H100 HydrophobicContact CG2-CB 4.39Å
68	T	82.9	Confident	90.5	Very high	59 Å²	59	51.9 Å²	51.9	36%	0.362	23%	0.234	S	C	.	.	S	Bend	trans	-87.1	-18.6	179.9	71.9	0	0	0	0	112.7	D66	D66-T68 WeakPolarHBondContact OD1-CA 3.23Å; D66-T68 WeakPolarHBondContact OD1-CB 3.43Å; D66-T68 PolarHBondContact OD1-N 3.1Å; D66-T68 PolarHBondContact OD1-OG1 3.19Å; D66-T68 PolarHBondContact OD2-OG1 3.37Å
69	K	86.2	Confident	90.2	Very high	63 Å²	63	50.9 Å²	50.9	27%	0.274	23%	0.231	S	C	.	.			trans	-59.9	140.9	-178.9	-169.1	160.2	169.1	-173.4	0	111.8	E35 T43 H46 D66 T76	E35-K69 PolarHBondContact O-NZ 2.93Å; E35-K69 WeakPolarHBondContact OE2-CD 3.29Å; E35-K69 IonicContact OE2-NZ 3.1Å; E35-K69 PolarHBondContact OE2-NZ 3.36Å; T43-K69 HydrophobicContact CG2-CD 3.79Å; T43-K69 HydrophobicContact CG2-CG 4.33Å; H46-K69 PolarHBondContact CE1-O 2.83Å; H46-K69 PolarHBondContact NE2-O 2.95Å; D66-K69 HydrophobicContact CB-CB 4.32Å; K69-T76 WeakPolarHBondContact O-CA 3.23Å
70	E	87.9	Confident	90.1	Very high	111 Å²	111	51.1 Å²	51.1	52%	0.519	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-96.5	143.8	178.1	-63.7	-175.8	171.7	0	0	111.6	W75 T76	E70-W75 CarbonylContact C-O 3.57Å; E70-W75 WeakPolarHBondContact CA-O 3.33Å; E70-T76 HydrophobicContact CG-CG2 3.98Å
71	N	90.8	Very high	90	Very high	9 Å²	9	51.1 Å²	51.1	5%	0.048	23%	0.232	C	C	.	.			trans	-75.6	177.7	167.7	67.8	20.8	0	0	0	111.9	G41 R42 Q73 G74 W75 E80	G41-N71 WeakPolarHBondContact O-CA 3.43Å; R42-N71 HydrophobicContact CG-CB 4.47Å; N71-Q73 PolarHBondContact O-N 2.88Å; N71-Q73 WeakPolarHBondContact OD1-CA 3.29Å; N71-Q73 WeakPolarHBondContact OD1-CB 3.43Å; N71-Q73 PolarHBondContact OD1-N 3.39Å; N71-Q73 PolarHBondContact OD1-OE1 2.7Å; N71-G74 PolarHBondContact O-N 2.96Å; N71-G74 PolarHBondContact OD1-N 3.14Å; N71-W75 PolarHBondContact N-O 2.84Å; N71-W75 PolarHBondContact OD1-N 2.85Å; N71-W75 PolarHBondContact OD1-O 3.02Å; N71-E80 PolarHBondContact ND2-OE1 3.26Å
72	R	88.1	Confident	89.9	Confident	198 Å²	198	51 Å²	51	75%	0.747	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-25.3	178.7	-172.6	173.1	-178.6	156	0	114.1	G41	G41-R72 PolarHBondContact O-N 2.98Å
73	Q	85.7	Confident	89.8	Confident	69 Å²	69	44 Å²	44	32%	0.322	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-0	177.1	-61	85.5	2.2	0	0	113.4	N71 K279	N71-Q73 PolarHBondContact O-N 2.88Å; N71-Q73 WeakPolarHBondContact OD1-CA 3.29Å; N71-Q73 WeakPolarHBondContact OD1-CB 3.43Å; N71-Q73 PolarHBondContact OD1-N 3.39Å; N71-Q73 PolarHBondContact OD1-OE1 2.7Å; Q73-K279 PolarHBondContact O-NZ 3.45Å
74	G	86.4	Confident	89.6	Confident	13 Å²	13	41.6 Å²	41.6	13%	0.134	20%	0.196	C	C	.	.	S	Bend	trans	80.2	18.9	-178.9	0	0	0	0	0	113.7	N71 N233	N71-G74 PolarHBondContact O-N 2.96Å; N71-G74 PolarHBondContact OD1-N 3.14Å; G74-N233 PolarHBondContact O-ND2 3.29Å
75	W	88.9	Confident	89.6	Confident	4 Å²	4	34 Å²	34	2%	0.015	17%	0.171	C	C	.	.			trans	-96	135.7	175.3	-60.6	110.8	0	0	0	110	H46 E70 N71 H79 E80 V231 N233 K279 R281 L353	H46-W75 PolarHBondContact NE2-O 3.46Å; E70-W75 CarbonylContact C-O 3.57Å; E70-W75 WeakPolarHBondContact CA-O 3.33Å; N71-W75 PolarHBondContact N-O 2.84Å; N71-W75 PolarHBondContact OD1-N 2.85Å; N71-W75 PolarHBondContact OD1-O 3.02Å; W75-H79 HydrophobicContact CB-CB 4.16Å; W75-H79 HydrophobicContact CD2-CB 4.47Å; W75-H79 HydrophobicContact CE3-CB 3.73Å; W75-H79 AromaticContact CE3-CG 3.74Å; W75-H79 AromaticContact CE3-ND1 3.61Å; W75-E80 HydrophobicContact CB-CG 4.46Å; W75-V231 HydrophobicContact CE3-CG1 4.24Å; W75-V231 HydrophobicContact CZ3-CG1 3.79Å; W75-N233 HydrophobicContact CE3-CB 3.82Å; W75-N233 HydrophobicContact CH2-CB 4Å; W75-N233 HydrophobicContact CZ3-CB 3.36Å; W75-K279 HydrophobicContact CH2-CB 3.51Å; W75-K279 HydrophobicContact CZ2-CB 3.53Å; W75-K279 HydrophobicContact CZ2-CD 4.07Å; W75-K279 HydrophobicContact CZ2-CG 4.44Å; W75-R281 VanDerWaalsContact CE2-CD 3.46Å; W75-R281 HydrophobicContact CH2-CB 4.44Å; W75-R281 HydrophobicContact CH2-CG 3.81Å; W75-R281 HydrophobicContact CZ2-CG 3.64Å; W75-L353 HydrophobicContact CZ2-CD1 3.86Å
76	T	90.8	Very high	89.5	Confident	23 Å²	23	36.1 Å²	36.1	14%	0.141	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-78	166.9	172.9	65.5	0	0	0	0	110.5	K69 E70 L78 H79 E80	K69-T76 WeakPolarHBondContact O-CA 3.23Å; E70-T76 HydrophobicContact CG-CG2 3.98Å; T76-L78 PolarHBondContact O-N 2.92Å; T76-H79 PolarHBondContact N-ND1 2.84Å; T76-H79 WeakPolarHBondContact O-CB 3.4Å; T76-H79 PolarHBondContact O-N 3.25Å; T76-H79 VanDerWaalsContact O-N 3.12Å; T76-H79 PolarHBondContact OG1-N 2.93Å; T76-H79 PolarHBondContact OG1-ND1 3.03Å; T76-H79 VanDerWaalsContact OG1-ND1 3.13Å; T76-E80 PolarHBondContact O-N 3.02Å; T76-E80 VanDerWaalsContact O-N 3.16Å
77	V	94.1	Very high	89.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.9	-39.6	174.6	-178.4	0	0	0	0	111.4	L45 H46 V49 V67 H79 E80 A81 V93	L45-V77 HydrophobicContact CD1-CG1 4.45Å; L45-V77 HydrophobicContact CD2-CB 4.41Å; L45-V77 HydrophobicContact CD2-CG1 3.81Å; L45-V77 HydrophobicContact CD2-CG2 3.99Å; L45-V77 HydrophobicContact CG-CG1 3.69Å; L45-V77 HydrophobicContact CG-CG2 4.13Å; H46-V77 PolarHBondContact NE2-N 2.89Å; V49-V77 HydrophobicContact CB-CG1 4.48Å; V49-V77 HydrophobicContact CG2-CG1 3.77Å; V67-V77 HydrophobicContact CG1-CG1 4.46Å; V77-H79 PolarHBondContact O-N 3.42Å; V77-E80 PolarHBondContact O-N 3.45Å; V77-A81 WeakPolarHBondContact O-CB 3.37Å; V77-A81 PolarHBondContact O-N 2.85Å; V77-V93 HydrophobicContact CB-CG1 4.46Å; V77-V93 HydrophobicContact CG1-CG1 3.93Å; V77-V93 HydrophobicContact CG1-CG2 4.23Å
78	L	92.1	Very high	90.1	Very high	16 Å²	16	42 Å²	42	8%	0.084	21%	0.213	C	C	.	.	H	α-helix	trans	-64.6	-38.5	177.6	-176.7	62.3	0	0	0	112.1	T76 A81 V82 V90 V93 L94	T76-L78 PolarHBondContact O-N 2.92Å; L78-A81 PolarHBondContact O-N 3.41Å; L78-V82 WeakPolarHBondContact O-CG2 3.46Å; L78-V82 PolarHBondContact O-N 2.81Å; L78-V90 HydrophobicContact CD1-CG1 4.46Å; L78-V93 HydrophobicContact CB-CG1 4.12Å; L78-V93 HydrophobicContact CD1-CG1 4.07Å; L78-L94 HydrophobicContact CD1-CB 4.2Å; L78-L94 HydrophobicContact CD1-CD1 4.42Å; L78-L94 HydrophobicContact CD2-CD1 3.95Å
79	H	90.9	Very high	90.7	Very high	41 Å²	41	39.2 Å²	39.2	19%	0.19	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-43.3	175.1	-66.6	146.8	0	0	0	111.8	W75 T76 V77 S83 V231	W75-H79 HydrophobicContact CB-CB 4.16Å; W75-H79 HydrophobicContact CD2-CB 4.47Å; W75-H79 HydrophobicContact CE3-CB 3.73Å; W75-H79 AromaticContact CE3-CG 3.74Å; W75-H79 AromaticContact CE3-ND1 3.61Å; T76-H79 PolarHBondContact N-ND1 2.84Å; T76-H79 WeakPolarHBondContact O-CB 3.4Å; T76-H79 PolarHBondContact O-N 3.25Å; T76-H79 VanDerWaalsContact O-N 3.12Å; T76-H79 PolarHBondContact OG1-N 2.93Å; T76-H79 PolarHBondContact OG1-ND1 3.03Å; T76-H79 VanDerWaalsContact OG1-ND1 3.13Å; V77-H79 PolarHBondContact O-N 3.42Å; H79-S83 PolarHBondContact O-N 3Å; H79-S83 PolarHBondContact O-OG 3.47Å; H79-V231 HydrophobicContact CB-CG1 3.81Å
80	E	92.6	Very high	91.1	Very high	7 Å²	7	36.2 Å²	36.2	3%	0.033	18%	0.183	C	C	.	.	H	α-helix	trans	-67.5	-38	175.2	-63.1	-63.9	177.5	0	0	111.6	V49 N71 W75 T76 V77 V82 S83 T84 R281	V49-E80 HydrophobicContact CG1-CB 4.03Å; N71-E80 PolarHBondContact ND2-OE1 3.26Å; W75-E80 HydrophobicContact CB-CG 4.46Å; T76-E80 PolarHBondContact O-N 3.02Å; T76-E80 VanDerWaalsContact O-N 3.16Å; V77-E80 PolarHBondContact O-N 3.45Å; E80-V82 PolarHBondContact O-N 2.52Å; E80-S83 WeakPolarHBondContact O-CB 3.2Å; E80-S83 PolarHBondContact O-N 3.07Å; E80-S83 VanDerWaalsContact O-N 3.13Å; E80-T84 WeakPolarHBondContact O-CG2 3.35Å; E80-T84 PolarHBondContact O-N 2.82Å; E80-T84 VanDerWaalsContact O-N 3.16Å; E80-R281 IonicContact OE1-NH1 2.81Å; E80-R281 PolarHBondContact OE1-NH1 3.44Å; E80-R281 VanDerWaalsContact OE1-NH1 3.1Å; E80-R281 IonicContact OE2-CZ 2.78Å; E80-R281 IonicContact OE2-NH1 3.94Å; E80-R281 PolarHBondContact OE2-NH1 3.23Å; E80-R281 IonicContact OE2-NH2 3.33Å; E80-R281 PolarHBondContact OE2-NH2 3.2Å
81	A	93.8	Very high	91.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.6	-45.7	177.6	0	0	0	0	0	111.9	V49 V77 L78 S83 T84 M89 V90 V93	V49-A81 VanDerWaalsContact CG1-CA 3.42Å; V49-A81 HydrophobicContact CG1-CB 3.78Å; V49-A81 VanDerWaalsContact CG1-N 3.35Å; V77-A81 WeakPolarHBondContact O-CB 3.37Å; V77-A81 PolarHBondContact O-N 2.85Å; L78-A81 PolarHBondContact O-N 3.41Å; A81-S83 VanDerWaalsContact C-N 3.26Å; A81-S83 PolarHBondContact O-N 2.96Å; A81-T84 WeakPolarHBondContact O-CB 3.38Å; A81-T84 PolarHBondContact O-N 3Å; A81-T84 VanDerWaalsContact O-N 3.15Å; A81-T84 PolarHBondContact O-OG1 2.74Å; A81-M89 HydrophobicContact CB-CG 4.06Å; A81-V90 HydrophobicContact CB-CG2 4.28Å; A81-V90 WeakPolarHBondContact O-CG2 3.23Å; A81-V93 HydrophobicContact CB-CB 4.23Å; A81-V93 HydrophobicContact CB-CG1 4.4Å; A81-V93 HydrophobicContact CB-CG2 4.08Å
82	V	92.3	Very high	91.7	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-61.9	-38.7	175.6	175.7	0	0	0	0	111	L78 E80 T84 G85 V90 R226 V231	L78-V82 WeakPolarHBondContact O-CG2 3.46Å; L78-V82 PolarHBondContact O-N 2.81Å; E80-V82 PolarHBondContact O-N 2.52Å; V82-T84 PolarHBondContact O-N 3.26Å; V82-G85 PolarHBondContact O-N 3.16Å; V82-V90 HydrophobicContact CB-CG2 4.46Å; V82-V90 HydrophobicContact CG2-CG1 4.26Å; V82-V90 HydrophobicContact CG2-CG2 4.04Å; V82-R226 WeakPolarHBondContact CG1-O 3.45Å; V82-R226 HydrophobicContact CG2-CB 4.14Å; V82-V231 HydrophobicContact CB-CG2 3.74Å; V82-V231 HydrophobicContact CG1-CG2 3.37Å
83	S	90	Very high	91.9	Very high	5 Å²	5	24.9 Å²	24.9	4%	0.035	14%	0.136	C	C	.	.	H	α-helix	trans	-65.4	-20.4	178.7	-53	0	0	0	0	113.3	H79 E80 A81 G85 R281 R349	H79-S83 PolarHBondContact O-N 3Å; H79-S83 PolarHBondContact O-OG 3.47Å; E80-S83 WeakPolarHBondContact O-CB 3.2Å; E80-S83 PolarHBondContact O-N 3.07Å; E80-S83 VanDerWaalsContact O-N 3.13Å; A81-S83 VanDerWaalsContact C-N 3.26Å; A81-S83 PolarHBondContact O-N 2.96Å; S83-G85 PolarHBondContact O-N 2.87Å; S83-R281 VanDerWaalsContact CB-NH2 3.31Å; S83-R281 VanDerWaalsContact OG-CZ 3.27Å; S83-R281 PolarHBondContact OG-NH2 2.71Å; S83-R349 WeakPolarHBondContact O-CD 3.35Å
84	T	89.1	Confident	92.2	Very high	11 Å²	11	21.6 Å²	21.6	7%	0.067	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.6	172.9	70.9	0	0	0	0	112.9	V49 E80 A81 V82 D86 R349	V49-T84 HydrophobicContact CG1-CG2 4.23Å; V49-T84 WeakPolarHBondContact O-CG2 3.38Å; E80-T84 WeakPolarHBondContact O-CG2 3.35Å; E80-T84 PolarHBondContact O-N 2.82Å; E80-T84 VanDerWaalsContact O-N 3.16Å; A81-T84 WeakPolarHBondContact O-CB 3.38Å; A81-T84 PolarHBondContact O-N 3Å; A81-T84 VanDerWaalsContact O-N 3.15Å; A81-T84 PolarHBondContact O-OG1 2.74Å; V82-T84 PolarHBondContact O-N 3.26Å; T84-D86 PolarHBondContact O-N 3.22Å; T84-D86 PolarHBondContact OG1-N 3.09Å; T84-D86 VanDerWaalsContact OG1-N 3.14Å; T84-R349 PolarHBondContact O-NE 3.22Å; T84-R349 VanDerWaalsContact O-NE 3.1Å; T84-R349 PolarHBondContact O-NH2 3.07Å
85	G	88.8	Confident	92.4	Very high	26 Å²	26	22 Å²	22	27%	0.268	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	8.6	-171.7	0	0	0	0	0	114.6	V82 S83	V82-G85 PolarHBondContact O-N 3.16Å; S83-G85 PolarHBondContact O-N 2.87Å
86	D	91.8	Very high	92.5	Very high	51 Å²	51	23.1 Å²	23.1	27%	0.273	13%	0.125	S	C	.	.			trans	-92.2	114	-179.8	177.4	11	0	0	0	111.3	T84 E88 M89 V90	T84-D86 PolarHBondContact O-N 3.22Å; T84-D86 PolarHBondContact OG1-N 3.09Å; T84-D86 VanDerWaalsContact OG1-N 3.14Å; D86-E88 VanDerWaalsContact C-N 3.29Å; D86-E88 PolarHBondContact O-N 3.13Å; D86-E88 PolarHBondContact OD1-N 3.24Å; D86-M89 HydrophobicContact CB-CB 3.89Å; D86-M89 PolarHBondContact O-N 3.11Å; D86-M89 WeakPolarHBondContact OD2-CB 3.19Å; D86-M89 PolarHBondContact OD2-N 3.38Å; D86-V90 WeakPolarHBondContact O-CG2 3.43Å; D86-V90 PolarHBondContact O-N 2.79Å; D86-V90 VanDerWaalsContact O-N 3.07Å
87	P	94.3	Very high	92.3	Very high	72 Å²	72	25.2 Å²	25.2	47%	0.468	13%	0.13	S	C	.	.	H	α-helix	trans	-63	-31.7	179	26.3	-34.5	0	0	0	113.5	Y91 V223 L227	P87-Y91 WeakPolarHBondContact O-CB 3.41Å; P87-Y91 PolarHBondContact O-N 3.38Å; P87-V223 HydrophobicContact CB-CG1 4.27Å; P87-L227 HydrophobicContact CB-CD1 3.8Å
88	E	95.5	Very high	91.8	Very high	97 Å²	97	26.6 Å²	26.6	45%	0.453	14%	0.137	S	C	.	.	H	α-helix	trans	-73.4	-38.9	-178.5	-165.9	175.4	177.9	0	0	111.3	L54 R58 D86 T92	L54-E88 HydrophobicContact CD2-CB 4.31Å; L54-E88 VanDerWaalsContact CD2-CD 3.4Å; L54-E88 HydrophobicContact CD2-CG 3.72Å; R58-E88 IonicContact CZ-OE1 2.79Å; R58-E88 IonicContact NH1-OE1 2.68Å; R58-E88 IonicContact NH2-OE1 3.77Å; R58-E88 PolarHBondContact NH2-OE1 3.39Å; D86-E88 VanDerWaalsContact C-N 3.29Å; D86-E88 PolarHBondContact O-N 3.13Å; D86-E88 PolarHBondContact OD1-N 3.24Å; E88-T92 WeakPolarHBondContact O-CB 3.46Å; E88-T92 PolarHBondContact O-N 3.41Å; E88-T92 PolarHBondContact O-OG1 2.83Å
89	M	95.4	Very high	91.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-50.7	170.7	-171.5	69.2	66.7	0	0	111.4	V49 L54 A57 A81 D86 Y91 T92 V93	V49-M89 HydrophobicContact CB-SD 4.46Å; V49-M89 HydrophobicContact CG1-CG 4.24Å; V49-M89 HydrophobicContact CG1-SD 4.47Å; V49-M89 HydrophobicContact CG2-SD 3.87Å; L54-M89 HydrophobicContact CB-CE 3.95Å; L54-M89 HydrophobicContact CD1-CB 4.49Å; L54-M89 HydrophobicContact CD1-CE 4.02Å; L54-M89 HydrophobicContact CD1-SD 3.98Å; A57-M89 HydrophobicContact CB-SD 4.1Å; A81-M89 HydrophobicContact CB-CG 4.06Å; D86-M89 HydrophobicContact CB-CB 3.89Å; D86-M89 PolarHBondContact O-N 3.11Å; D86-M89 WeakPolarHBondContact OD2-CB 3.19Å; D86-M89 PolarHBondContact OD2-N 3.38Å; M89-Y91 PolarHBondContact O-N 3.46Å; M89-T92 PolarHBondContact O-N 3.41Å; M89-V93 WeakPolarHBondContact O-CG2 3.35Å; M89-V93 PolarHBondContact O-N 2.9Å
90	V	94.6	Very high	91	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.6	-46	179.6	174.8	0	0	0	0	110.8	L78 A81 V82 D86 T92 V93 L94 V223 L227	L78-V90 HydrophobicContact CD1-CG1 4.46Å; A81-V90 HydrophobicContact CB-CG2 4.28Å; A81-V90 WeakPolarHBondContact O-CG2 3.23Å; V82-V90 HydrophobicContact CB-CG2 4.46Å; V82-V90 HydrophobicContact CG2-CG1 4.26Å; V82-V90 HydrophobicContact CG2-CG2 4.04Å; D86-V90 WeakPolarHBondContact O-CG2 3.43Å; D86-V90 PolarHBondContact O-N 2.79Å; D86-V90 VanDerWaalsContact O-N 3.07Å; V90-T92 PolarHBondContact O-N 2.87Å; V90-V93 PolarHBondContact O-N 2.81Å; V90-L94 WeakPolarHBondContact O-CB 3.44Å; V90-L94 PolarHBondContact O-N 3.27Å; V90-V223 HydrophobicContact CB-CG1 4.14Å; V90-V223 HydrophobicContact CG1-CG1 3.92Å; V90-L227 HydrophobicContact CG2-CD2 3.97Å
91	Y	95.1	Very high	90.2	Very high	69 Å²	69	32 Å²	32	27%	0.271	16%	0.162	S	C	.	.	H	α-helix	trans	-57.3	-49	177.3	-179.5	-86.4	0	0	0	111.7	P87 M89 L94 Q95 K217 P218 V223	P87-Y91 WeakPolarHBondContact O-CB 3.41Å; P87-Y91 PolarHBondContact O-N 3.38Å; M89-Y91 PolarHBondContact O-N 3.46Å; Y91-L94 PolarHBondContact O-N 3.46Å; Y91-Q95 VanDerWaalsContact O-CB 3.29Å; Y91-Q95 WeakPolarHBondContact O-CB 3.11Å; Y91-Q95 PolarHBondContact O-N 3.23Å; Y91-K217 WeakPolarHBondContact OH-CG 3.43Å; Y91-P218 HydrophobicContact CD2-CB 4.15Å; Y91-P218 HydrophobicContact CD2-CG 4.2Å; Y91-P218 HydrophobicContact CE2-CB 4.18Å; Y91-P218 HydrophobicContact CE2-CG 4.2Å; Y91-V223 HydrophobicContact CD2-CG2 4.24Å
92	T	94.8	Very high	89.2	Confident	11 Å²	11	33.7 Å²	33.7	7%	0.067	17%	0.172	C	C	.	.	H	α-helix	trans	-64	-47.1	-177.5	-56.3	0	0	0	0	111.1	R58 L61 E88 M89 V90 H96	R58-T92 HydrophobicContact CG-CG2 4.11Å; L61-T92 HydrophobicContact CD1-CG2 3.78Å; E88-T92 WeakPolarHBondContact O-CB 3.46Å; E88-T92 PolarHBondContact O-N 3.41Å; E88-T92 PolarHBondContact O-OG1 2.83Å; M89-T92 PolarHBondContact O-N 3.41Å; V90-T92 PolarHBondContact O-N 2.87Å; T92-H96 PolarHBondContact O-CD2 2.8Å; T92-H96 VanDerWaalsContact O-CD2 3.31Å; T92-H96 PolarHBondContact O-N 3.21Å; T92-H96 VanDerWaalsContact O-N 3.16Å
93	V	94.1	Very high	88.5	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.6	-41	179.4	172.5	0	0	0	0	111.3	V49 V67 V77 L78 A81 M89 V90 H96 R97	V49-V93 HydrophobicContact CG2-CG2 4.19Å; V67-V93 HydrophobicContact CG1-CG1 4.06Å; V77-V93 HydrophobicContact CB-CG1 4.46Å; V77-V93 HydrophobicContact CG1-CG1 3.93Å; V77-V93 HydrophobicContact CG1-CG2 4.23Å; L78-V93 HydrophobicContact CB-CG1 4.12Å; L78-V93 HydrophobicContact CD1-CG1 4.07Å; A81-V93 HydrophobicContact CB-CB 4.23Å; A81-V93 HydrophobicContact CB-CG1 4.4Å; A81-V93 HydrophobicContact CB-CG2 4.08Å; M89-V93 WeakPolarHBondContact O-CG2 3.35Å; M89-V93 PolarHBondContact O-N 2.9Å; V90-V93 PolarHBondContact O-N 2.81Å; V93-H96 PolarHBondContact O-N 2.98Å; V93-R97 WeakPolarHBondContact O-CB 3.26Å; V93-R97 PolarHBondContact O-N 2.52Å
94	L	90.3	Very high	87.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.6	-47.2	179.8	-175.4	62	0	0	0	111.5	L78 V90 Y91 H96 R97 D98 P218 E222 V223	L78-L94 HydrophobicContact CD1-CB 4.2Å; L78-L94 HydrophobicContact CD1-CD1 4.42Å; L78-L94 HydrophobicContact CD2-CD1 3.95Å; V90-L94 WeakPolarHBondContact O-CB 3.44Å; V90-L94 PolarHBondContact O-N 3.27Å; Y91-L94 PolarHBondContact O-N 3.46Å; L94-H96 VanDerWaalsContact C-N 3.31Å; L94-H96 PolarHBondContact O-N 2.81Å; L94-R97 WeakPolarHBondContact O-CB 3.41Å; L94-R97 PolarHBondContact O-N 3.11Å; L94-R97 VanDerWaalsContact O-N 3.09Å; L94-D98 PolarHBondContact O-N 3.34Å; L94-P218 HydrophobicContact CB-CG 4.08Å; L94-P218 HydrophobicContact CD2-CB 3.76Å; L94-P218 HydrophobicContact CD2-CG 4.02Å; L94-P218 HydrophobicContact CG-CB 4.22Å; L94-P218 HydrophobicContact CG-CG 3.93Å; L94-E222 HydrophobicContact CD2-CG 4.34Å; L94-V223 HydrophobicContact CD2-CG2 4.32Å
95	Q	91.3	Very high	86.6	Confident	23 Å²	23	37.6 Å²	37.6	11%	0.107	19%	0.193	C	C	.	.	H	α-helix	trans	-52.8	-48	173.7	164.2	162.5	59.4	0	0	112.2	Y91 D98 Y99 L213 M216 P218	Y91-Q95 VanDerWaalsContact O-CB 3.29Å; Y91-Q95 WeakPolarHBondContact O-CB 3.11Å; Y91-Q95 PolarHBondContact O-N 3.23Å; Q95-D98 PolarHBondContact O-N 2.75Å; Q95-Y99 WeakPolarHBondContact O-CB 3.37Å; Q95-Y99 PolarHBondContact O-N 2.75Å; Q95-L213 HydrophobicContact CG-CD1 3.64Å; Q95-L213 HydrophobicContact CG-CG 4.02Å; Q95-L213 PolarHBondContact NE2-O 2.67Å; Q95-M216 WeakPolarHBondContact CB-O 3.17Å; Q95-M216 WeakPolarHBondContact CG-O 3.42Å; Q95-M216 PolarHBondContact NE2-O 3.25Å; Q95-M216 VanDerWaalsContact NE2-O 3.14Å; Q95-P218 HydrophobicContact CB-CG 3.99Å
96	H	90.8	Very high	85.7	Confident	27 Å²	27	37.4 Å²	37.4	13%	0.125	19%	0.186	C	C	.	.	H	α-helix	trans	-69.8	-33.1	179.2	-86.8	-88.7	0	0	0	113	L61 T92 V93 L94 H100 L213	L61-H96 HydrophobicContact CD1-CB 4.33Å; L61-H96 HydrophobicContact CD2-CB 3.83Å; T92-H96 PolarHBondContact O-CD2 2.8Å; T92-H96 VanDerWaalsContact O-CD2 3.31Å; T92-H96 PolarHBondContact O-N 3.21Å; T92-H96 VanDerWaalsContact O-N 3.16Å; V93-H96 PolarHBondContact O-N 2.98Å; L94-H96 VanDerWaalsContact C-N 3.31Å; L94-H96 PolarHBondContact O-N 2.81Å; H96-H100 VanDerWaalsContact O-CB 3.24Å; H96-H100 WeakPolarHBondContact O-CB 3.33Å; H96-H100 PolarHBondContact O-N 3.5Å; H96-L213 WeakPolarHBondContact CE1-CD2 3.46Å; H96-L213 WeakPolarHBondContact NE2-CD2 3.45Å
97	R	87.1	Confident	84.7	Confident	67 Å²	67	40 Å²	40	25%	0.253	20%	0.197	S	C	.	.	H	α-helix	trans	-63.6	-47.7	173	175.6	-169.9	168.6	-87.5	2.8	111.2	V67 V93 L94 Y99 H100 N101	V67-R97 HydrophobicContact CB-CB 4.3Å; V67-R97 VanDerWaalsContact CG2-CA 3.42Å; V67-R97 HydrophobicContact CG2-CB 3.74Å; V67-R97 HydrophobicContact CG2-CG 4.34Å; V93-R97 WeakPolarHBondContact O-CB 3.26Å; V93-R97 PolarHBondContact O-N 2.52Å; L94-R97 WeakPolarHBondContact O-CB 3.41Å; L94-R97 PolarHBondContact O-N 3.11Å; L94-R97 VanDerWaalsContact O-N 3.09Å; R97-Y99 VanDerWaalsContact C-N 3.34Å; R97-H100 PolarHBondContact O-N 2.63Å; R97-N101 WeakPolarHBondContact O-CB 3.41Å; R97-N101 PolarHBondContact O-N 3.2Å
98	D	82.9	Confident	83.4	Confident	28 Å²	28	36.9 Å²	36.9	15%	0.15	18%	0.178	C	C	.	.	H	α-helix	trans	-67.3	-42.1	-176.9	-58.3	-21	0	0	0	109.8	L94 Q95 H100 N101 T102	L94-D98 PolarHBondContact O-N 3.34Å; Q95-D98 PolarHBondContact O-N 2.75Å; D98-H100 PolarHBondContact O-N 2.89Å; D98-N101 PolarHBondContact O-N 3.33Å; D98-T102 WeakPolarHBondContact O-CB 3.22Å; D98-T102 PolarHBondContact O-N 3.05Å; D98-T102 PolarHBondContact O-OG1 2.78Å
99	Y	84.7	Confident	82.3	Confident	73 Å²	73	33.2 Å²	33.2	29%	0.286	16%	0.162	S	C	.	.	H	α-helix	trans	-57.3	-47.7	170	178.3	-95.5	0	0	0	113	Q95 R97 T102 S103 L211 L213 M216	Q95-Y99 WeakPolarHBondContact O-CB 3.37Å; Q95-Y99 PolarHBondContact O-N 2.75Å; R97-Y99 VanDerWaalsContact C-N 3.34Å; Y99-T102 PolarHBondContact O-N 3.3Å; Y99-S103 VanDerWaalsContact O-CB 3.27Å; Y99-S103 WeakPolarHBondContact O-CB 3.45Å; Y99-S103 PolarHBondContact O-N 3.16Å; Y99-L211 HydrophobicContact CD2-CD2 4.29Å; Y99-L211 HydrophobicContact CD2-CG 4.16Å; Y99-L211 HydrophobicContact CE2-CD2 3.93Å; Y99-L211 HydrophobicContact CE2-CG 3.82Å; Y99-L213 HydrophobicContact CD1-CD1 4.28Å; Y99-L213 HydrophobicContact CD2-CB 4.3Å; Y99-L213 HydrophobicContact CD2-CD1 4.38Å; Y99-L213 HydrophobicContact CG-CD1 3.85Å; Y99-M216 HydrophobicContact CD2-CG 4.31Å
100	H	81.3	Confident	81.1	Confident	57 Å²	57	36.2 Å²	36.2	26%	0.264	18%	0.181	S	C	.	.	H	α-helix	trans	-62.8	-46.5	179.2	-177.4	70.7	0	0	0	111.7	V67 H96 R97 D98 T102 S103 M104	V67-H100 HydrophobicContact CG2-CB 4.39Å; H96-H100 VanDerWaalsContact O-CB 3.24Å; H96-H100 WeakPolarHBondContact O-CB 3.33Å; H96-H100 PolarHBondContact O-N 3.5Å; R97-H100 PolarHBondContact O-N 2.63Å; D98-H100 PolarHBondContact O-N 2.89Å; H100-T102 PolarHBondContact O-N 3.06Å; H100-S103 PolarHBondContact O-N 3.14Å; H100-M104 WeakPolarHBondContact O-CB 3.31Å; H100-M104 VanDerWaalsContact O-CG 3.29Å; H100-M104 WeakPolarHBondContact O-CG 3.22Å; H100-M104 PolarHBondContact O-N 2.92Å
101	N	75.8	Confident	80.1	Confident	49 Å²	49	41 Å²	41	26%	0.262	20%	0.204	S	C	.	.	H	α-helix	trans	-61.1	-45.1	178.5	-72.1	-11.8	0	0	0	111.4	R97 D98 A105	R97-N101 WeakPolarHBondContact O-CB 3.41Å; R97-N101 PolarHBondContact O-N 3.2Å; D98-N101 PolarHBondContact O-N 3.33Å; N101-A105 WeakPolarHBondContact O-CB 3.05Å; N101-A105 PolarHBondContact O-N 2.97Å
102	T	73.9	Confident	79	Confident	35 Å²	35	37.9 Å²	37.9	22%	0.215	19%	0.192	C	C	.	.	H	α-helix	trans	-67.1	-41.1	177	-53.9	0	0	0	0	111.9	D98 Y99 H100 A105 L106 L211 M216	D98-T102 WeakPolarHBondContact O-CB 3.22Å; D98-T102 PolarHBondContact O-N 3.05Å; D98-T102 PolarHBondContact O-OG1 2.78Å; Y99-T102 PolarHBondContact O-N 3.3Å; H100-T102 PolarHBondContact O-N 3.06Å; T102-A105 PolarHBondContact O-N 2.83Å; T102-L106 HydrophobicContact CG2-CD1 4.08Å; T102-L106 HydrophobicContact CG2-CG 4.44Å; T102-L106 WeakPolarHBondContact O-CG 3.45Å; T102-L106 PolarHBondContact O-N 2.79Å; T102-L211 HydrophobicContact CG2-CD1 3.57Å; T102-L211 HydrophobicContact CG2-CD2 4.45Å; T102-M216 HydrophobicContact CG2-CE 3.62Å; T102-M216 VanDerWaalsContact OG1-CE 3.23Å; T102-M216 WeakPolarHBondContact OG1-CE 3.18Å
103	S	76.4	Confident	77.9	Confident	14 Å²	14	37.9 Å²	37.9	10%	0.098	19%	0.191	C	C	.	.	H	α-helix	trans	-59.7	-49.6	175.6	-165.9	0	0	0	0	111.1	Y99 H100 A105 L106 E107	Y99-S103 VanDerWaalsContact O-CB 3.27Å; Y99-S103 WeakPolarHBondContact O-CB 3.45Å; Y99-S103 PolarHBondContact O-N 3.16Å; H100-S103 PolarHBondContact O-N 3.14Å; S103-A105 VanDerWaalsContact C-N 3.33Å; S103-A105 PolarHBondContact O-N 2.76Å; S103-L106 PolarHBondContact O-N 2.92Å; S103-E107 WeakPolarHBondContact O-CB 3.23Å; S103-E107 WeakPolarHBondContact O-CG 3.12Å; S103-E107 PolarHBondContact O-N 3.45Å; S103-E107 PolarHBondContact OG-OE1 2.94Å
104	M	70.6	Confident	77.1	Confident	73 Å²	73	43.1 Å²	43.1	36%	0.36	22%	0.216	S	C	.	.	H	α-helix	trans	-66.6	-33.7	177.8	-69.6	-64.6	101.2	0	0	112.5	H100 E107 R387	H100-M104 WeakPolarHBondContact O-CB 3.31Å; H100-M104 VanDerWaalsContact O-CG 3.29Å; H100-M104 WeakPolarHBondContact O-CG 3.22Å; H100-M104 PolarHBondContact O-N 2.92Å; M104-E107 WeakPolarHBondContact CE-OE2 3.42Å; M104-R387 PolarHBondContact O-NH1 2.64Å
105	A	68.4	Low	76.5	Confident	17 Å²	17	46.8 Å²	46.8	14%	0.14	23%	0.231	C	C	.	.	H	α-helix	trans	-60	-53.4	172.7	0	0	0	0	0	109.9	N101 T102 S103 V109 R387	N101-A105 WeakPolarHBondContact O-CB 3.05Å; N101-A105 PolarHBondContact O-N 2.97Å; T102-A105 PolarHBondContact O-N 2.83Å; S103-A105 VanDerWaalsContact C-N 3.33Å; S103-A105 PolarHBondContact O-N 2.76Å; A105-V109 WeakPolarHBondContact O-CG2 3.31Å; A105-V109 PolarHBondContact O-N 2.92Å; A105-R387 HydrophobicContact CB-CB 4.37Å
106	L	71.4	Confident	75.8	Confident	22 Å²	22	45.7 Å²	45.7	12%	0.115	23%	0.227	C	C	.	.	H	α-helix	trans	-66.6	-40.8	-178.2	-66.2	172.8	0	0	0	113.2	T102 S103 G108 V109 L204 E207 M208 L211	T102-L106 HydrophobicContact CG2-CD1 4.08Å; T102-L106 HydrophobicContact CG2-CG 4.44Å; T102-L106 WeakPolarHBondContact O-CG 3.45Å; T102-L106 PolarHBondContact O-N 2.79Å; S103-L106 PolarHBondContact O-N 2.92Å; L106-G108 VanDerWaalsContact C-N 3.33Å; L106-G108 PolarHBondContact O-N 2.86Å; L106-V109 PolarHBondContact O-N 2.89Å; L106-L204 HydrophobicContact CD2-CD2 4.42Å; L106-E207 HydrophobicContact CD1-CB 4.26Å; L106-E207 HydrophobicContact CD2-CB 4.48Å; L106-E207 WeakPolarHBondContact CD2-OE2 3.31Å; L106-M208 HydrophobicContact CB-CE 3.58Å; L106-L211 HydrophobicContact CD1-CD1 4.44Å; L106-L211 HydrophobicContact CD1-CD2 4.4Å
107	E	69.4	Low	75.4	Confident	106 Å²	106	49 Å²	49	50%	0.495	24%	0.244	S	C	.	.	H	α-helix	trans	-64.1	-33.2	-173.5	-81.6	178.6	-153.1	0	0	113.6	S103 M104 M208	S103-E107 WeakPolarHBondContact O-CB 3.23Å; S103-E107 WeakPolarHBondContact O-CG 3.12Å; S103-E107 PolarHBondContact O-N 3.45Å; S103-E107 PolarHBondContact OG-OE1 2.94Å; M104-E107 WeakPolarHBondContact CE-OE2 3.42Å; E107-M208 HydrophobicContact CB-CE 4.12Å; E107-M208 HydrophobicContact CG-CE 3.46Å; E107-M208 VanDerWaalsContact CG-CE 3.46Å; E107-M208 HydrophobicContact CG-SD 3.94Å
108	G	68.2	Low	75.2	Confident	7 Å²	7	52 Å²	52	7%	0.072	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	9.8	-179.8	0	0	0	0	0	115.1	L106 L112 R387	L106-G108 VanDerWaalsContact C-N 3.33Å; L106-G108 PolarHBondContact O-N 2.86Å; G108-L112 WeakPolarHBondContact O-CG 3.46Å; G108-L112 PolarHBondContact O-N 3.33Å; G108-R387 PolarHBondContact O-NH2 3.26Å
109	V	71.3	Confident	75.1	Confident	20 Å²	20	51.2 Å²	51.2	12%	0.121	26%	0.258	C	S	.	.	H	α-helix	trans	-57.7	-44.7	167.4	169.3	0	0	0	0	111.3	A105 L106 E111 L112 L113 L204	A105-V109 WeakPolarHBondContact O-CG2 3.31Å; A105-V109 PolarHBondContact O-N 2.92Å; L106-V109 PolarHBondContact O-N 2.89Å; V109-E111 PolarHBondContact O-N 2.81Å; V109-L112 PolarHBondContact O-N 2.65Å; V109-L112 VanDerWaalsContact O-N 3.14Å; V109-L113 HydrophobicContact CG1-CD1 3.72Å; V109-L113 HydrophobicContact CG1-CG 3.86Å; V109-L113 WeakPolarHBondContact O-CB 3.47Å; V109-L113 WeakPolarHBondContact O-CG 3.31Å; V109-L113 PolarHBondContact O-N 3.06Å; V109-L204 HydrophobicContact CB-CD2 3.93Å; V109-L204 HydrophobicContact CG1-CD1 3.91Å; V109-L204 HydrophobicContact CG1-CD2 3.67Å; V109-L204 HydrophobicContact CG1-CG 4.45Å; V109-L204 HydrophobicContact CG2-CD2 4.5Å
110	P	71.3	Confident	75.1	Confident	62 Å²	62	51.1 Å²	51.1	40%	0.403	27%	0.267	S	S	.	.	H	α-helix	trans	-58.6	-43.7	179.9	-25.4	34.3	0	0	0	113.8	L112 L113 Q114 L204	P110-L112 VanDerWaalsContact C-N 3.33Å; P110-L112 PolarHBondContact O-N 3.29Å; P110-L113 PolarHBondContact O-N 2.9Å; P110-Q114 PolarHBondContact O-N 2.84Å; P110-L204 HydrophobicContact CG-CD1 4.37Å
111	E	73.4	Confident	75.4	Confident	102 Å²	102	50.2 Å²	50.2	48%	0.477	26%	0.264	S	S	.	.	H	α-helix	trans	-64.1	-39.1	177.6	-169.9	-164.2	157.5	0	0	111.6	V109 Q114 K115	V109-E111 PolarHBondContact O-N 2.81Å; E111-Q114 PolarHBondContact O-N 2.96Å; E111-K115 WeakPolarHBondContact O-CG 3.48Å; E111-K115 PolarHBondContact O-N 3.05Å; E111-K115 VanDerWaalsContact OE1-CE 3.26Å; E111-K115 WeakPolarHBondContact OE1-CE 3.35Å; E111-K115 IonicContact OE1-NZ 3.92Å; E111-K115 PolarHBondContact OE1-NZ 2.8Å
112	L	71.1	Confident	76	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.016	25%	0.252	C	S	.	.	H	α-helix	trans	-72.5	-39.1	178.3	-71.9	174.2	0	0	0	112.5	G108 V109 P110 Q114 K115 I116 D383 L384	G108-L112 WeakPolarHBondContact O-CG 3.46Å; G108-L112 PolarHBondContact O-N 3.33Å; V109-L112 PolarHBondContact O-N 2.65Å; V109-L112 VanDerWaalsContact O-N 3.14Å; P110-L112 VanDerWaalsContact C-N 3.33Å; P110-L112 PolarHBondContact O-N 3.29Å; L112-Q114 VanDerWaalsContact C-N 3.25Å; L112-Q114 PolarHBondContact O-N 3.26Å; L112-K115 HydrophobicContact CD2-CD 4.46Å; L112-K115 PolarHBondContact O-N 2.81Å; L112-K115 VanDerWaalsContact O-N 3.16Å; L112-I116 VanDerWaalsContact O-CG1 3.28Å; L112-I116 WeakPolarHBondContact O-CG1 3.38Å; L112-I116 PolarHBondContact O-N 2.82Å; L112-D383 HydrophobicContact CD2-CB 3.95Å; L112-L384 HydrophobicContact CB-CD1 4.09Å; L112-L384 HydrophobicContact CD1-CB 4Å; L112-L384 HydrophobicContact CD1-CD1 3.72Å
113	L	72.2	Confident	76.7	Confident	11 Å²	11	46.8 Å²	46.8	6%	0.058	24%	0.244	C	C	.	.	H	α-helix	trans	-57.3	-43.3	172.2	-75.9	-179.2	0	0	0	110.8	V109 P110 I116 L117 F178 L204	V109-L113 HydrophobicContact CG1-CD1 3.72Å; V109-L113 HydrophobicContact CG1-CG 3.86Å; V109-L113 WeakPolarHBondContact O-CB 3.47Å; V109-L113 WeakPolarHBondContact O-CG 3.31Å; V109-L113 PolarHBondContact O-N 3.06Å; P110-L113 PolarHBondContact O-N 2.9Å; L113-I116 PolarHBondContact O-N 3.21Å; L113-L117 WeakPolarHBondContact O-CB 3.24Å; L113-L117 PolarHBondContact O-N 2.89Å; L113-F178 HydrophobicContact CD2-CE1 3.38Å; L113-F178 HydrophobicContact CD2-CZ 3.5Å; L113-L204 HydrophobicContact CD1-CD1 3.98Å
114	Q	77.4	Confident	77.3	Confident	109 Å²	109	46.4 Å²	46.4	51%	0.509	24%	0.241	S	C	.	.	H	α-helix	trans	-61.4	-47	173.9	-175.2	179.2	-2.3	0	0	111.8	P110 E111 L112 I116 L117 E118	P110-Q114 PolarHBondContact O-N 2.84Å; E111-Q114 PolarHBondContact O-N 2.96Å; L112-Q114 VanDerWaalsContact C-N 3.25Å; L112-Q114 PolarHBondContact O-N 3.26Å; Q114-I116 VanDerWaalsContact C-N 3.31Å; Q114-I116 PolarHBondContact O-N 3.33Å; Q114-L117 WeakPolarHBondContact O-CB 3.23Å; Q114-L117 PolarHBondContact O-N 3.49Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.49Å; Q114-E118 PolarHBondContact NE2-OE1 3.12Å; Q114-E118 WeakPolarHBondContact O-CG 3.37Å; Q114-E118 PolarHBondContact O-N 3.23Å
115	K	77.8	Confident	78.2	Confident	77 Å²	77	45.2 Å²	45.2	34%	0.335	23%	0.234	S	C	.	.	H	α-helix	trans	-61.9	-37.5	177.2	-72.6	175.5	-173.7	168.3	0	112.7	E111 L112 E118 A119 P380	E111-K115 WeakPolarHBondContact O-CG 3.48Å; E111-K115 PolarHBondContact O-N 3.05Å; E111-K115 VanDerWaalsContact OE1-CE 3.26Å; E111-K115 WeakPolarHBondContact OE1-CE 3.35Å; E111-K115 IonicContact OE1-NZ 3.92Å; E111-K115 PolarHBondContact OE1-NZ 2.8Å; L112-K115 HydrophobicContact CD2-CD 4.46Å; L112-K115 PolarHBondContact O-N 2.81Å; L112-K115 VanDerWaalsContact O-N 3.16Å; K115-E118 PolarHBondContact O-N 2.95Å; K115-A119 WeakPolarHBondContact O-CB 3.42Å; K115-A119 PolarHBondContact O-N 2.79Å; K115-P380 HydrophobicContact CB-CB 4.1Å
116	I	76.7	Confident	78.9	Confident	1 Å²	1	47 Å²	47	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-68.4	-41.1	176.2	-67.8	167	0	0	0	110.1	L112 L113 Q114 E118 A119 K150 G152 L384	L112-I116 VanDerWaalsContact O-CG1 3.28Å; L112-I116 WeakPolarHBondContact O-CG1 3.38Å; L112-I116 PolarHBondContact O-N 2.82Å; L113-I116 PolarHBondContact O-N 3.21Å; Q114-I116 VanDerWaalsContact C-N 3.31Å; Q114-I116 PolarHBondContact O-N 3.33Å; I116-E118 VanDerWaalsContact C-N 3.33Å; I116-E118 PolarHBondContact O-N 3.32Å; I116-A119 PolarHBondContact O-N 3.14Å; I116-K150 WeakPolarHBondContact O-CE 2.99Å; I116-K150 PolarHBondContact O-NZ 3.45Å; I116-G152 VanDerWaalsContact O-O 3.14Å; I116-L384 HydrophobicContact CD1-CB 4.35Å; I116-L384 HydrophobicContact CD1-CD2 3.5Å; I116-L384 VanDerWaalsContact CD1-CD2 3.5Å; I116-L384 HydrophobicContact CD1-CG 4.46Å
117	L	82.3	Confident	79.4	Confident	95 Å²	95	49.4 Å²	49.4	50%	0.497	25%	0.25	S	S	.	.	H	α-helix	trans	-60.2	-42.9	175.1	-177.1	67.4	0	0	0	111.9	L113 Q114 A153	L113-L117 WeakPolarHBondContact O-CB 3.24Å; L113-L117 PolarHBondContact O-N 2.89Å; Q114-L117 WeakPolarHBondContact O-CB 3.23Å; Q114-L117 PolarHBondContact O-N 3.49Å; L117-A153 HydrophobicContact CB-CB 4.36Å; L117-A153 HydrophobicContact CD1-CB 4.12Å
118	E	82.7	Confident	79.8	Confident	132 Å²	132	47.1 Å²	47.1	62%	0.617	24%	0.237	S	C	*	.	H	α-helix	trans	-73.1	-26.6	179.9	-71.5	174.4	-170.7	0	0	113.5	Q114 K115 I116	Q114-E118 WeakPolarHBondContact CG-OE1 3.49Å; Q114-E118 PolarHBondContact NE2-OE1 3.12Å; Q114-E118 WeakPolarHBondContact O-CG 3.37Å; Q114-E118 PolarHBondContact O-N 3.23Å; K115-E118 PolarHBondContact O-N 2.95Å; I116-E118 VanDerWaalsContact C-N 3.33Å; I116-E118 PolarHBondContact O-N 3.32Å
119	A	81.7	Confident	80.2	Confident	10 Å²	10	48.5 Å²	48.5	8%	0.083	24%	0.241	C	C	.	.	S	Bend	trans	-63	144.9	178.4	0	0	0	0	0	111	K115 I116 K150	K115-A119 WeakPolarHBondContact O-CB 3.42Å; K115-A119 PolarHBondContact O-N 2.79Å; I116-A119 PolarHBondContact O-N 3.14Å; A119-K150 PolarHBondContact O-NZ 2.89Å
120	P	83.9	Confident	80.2	Confident	71 Å²	71	49.4 Å²	49.4	46%	0.461	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-67.8	148.8	174.7	-19.6	29.2	0	0	0	112.6	Q377	P120-Q377 HydrophobicContact CG-CG 4.49Å; P120-Q377 PolarHBondContact O-NE2 3.18Å
121	D	87.3	Confident	80.1	Confident	39 Å²	39	47.7 Å²	47.7	21%	0.209	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-63.9	142.1	176.8	-74	11.4	0	0	0	111.6	K150 S151 G152 F456	D121-K150 WeakPolarHBondContact CA-O 2.92Å; D121-K150 WeakPolarHBondContact CB-O 3.37Å; D121-K150 IonicContact OD1-NZ 3.23Å; D121-K150 PolarHBondContact OD1-NZ 2.72Å; D121-S151 VanDerWaalsContact CG-CA 3.43Å; D121-S151 VanDerWaalsContact OD1-CA 3.3Å; D121-S151 WeakPolarHBondContact OD1-CA 3.41Å; D121-S151 VanDerWaalsContact OD2-CA 3.31Å; D121-S151 WeakPolarHBondContact OD2-CA 3.42Å; D121-S151 WeakPolarHBondContact OD2-CB 3.37Å; D121-S151 PolarHBondContact OD2-OG 3.48Å; D121-G152 PolarHBondContact OD1-N 2.98Å; D121-F456 WeakPolarHBondContact CB-O 3.21Å
122	F	88.5	Confident	79.8	Confident	4 Å²	4	44 Å²	44	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	159	178.2	70.7	-91.2	0	0	0	113.5	V124 I148 K150 L372 Q377 I381 N429	F122-V124 HydrophobicContact CD2-CB 4.29Å; F122-V124 HydrophobicContact CD2-CG1 3.96Å; F122-V124 HydrophobicContact CE2-CB 4.46Å; F122-V124 HydrophobicContact CE2-CG1 3.66Å; F122-I148 HydrophobicContact CE2-CG2 4.14Å; F122-I148 HydrophobicContact CZ-CG2 4.45Å; F122-K150 HydrophobicContact CD1-CB 3.8Å; F122-K150 HydrophobicContact CD1-CD 4.16Å; F122-K150 HydrophobicContact CD1-CG 4.24Å; F122-K150 HydrophobicContact CE1-CB 3.58Å; F122-K150 HydrophobicContact CE1-CD 4.18Å; F122-K150 HydrophobicContact CE1-CG 3.87Å; F122-K150 HydrophobicContact CE2-CB 4.47Å; F122-K150 HydrophobicContact CG-CB 4.34Å; F122-K150 HydrophobicContact CZ-CB 3.95Å; F122-K150 PolarHBondContact N-O 2.69Å; F122-K150 VanDerWaalsContact N-O 3.12Å; F122-K150 PolarHBondContact O-N 3.42Å; F122-L372 HydrophobicContact CB-CD2 3.44Å; F122-L372 VanDerWaalsContact CB-CD2 3.44Å; F122-L372 HydrophobicContact CD1-CD2 4.33Å; F122-L372 HydrophobicContact CD2-CD1 4.05Å; F122-L372 HydrophobicContact CD2-CD2 3.97Å; F122-L372 HydrophobicContact CE2-CD1 4.46Å; F122-L372 HydrophobicContact CG-CD2 3.68Å; F122-Q377 HydrophobicContact CD1-CB 4.25Å; F122-Q377 HydrophobicContact CD1-CG 4.49Å; F122-Q377 HydrophobicContact CE1-CB 4.01Å; F122-I381 HydrophobicContact CE1-CD1 3.82Å; F122-I381 HydrophobicContact CZ-CD1 3.55Å; F122-N429 WeakPolarHBondContact CA-OD1 3.46Å
123	Y	89.5	Confident	79.4	Confident	7 Å²	7	52.6 Å²	52.6	3%	0.027	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.1	165.1	169.6	-110.1	0	0	0	109.1	Q125 R147 I148 W149 N427 V428 N429 C431 F456	Y123-Q125 HydrophobicContact CE1-CG 3.97Å; Y123-Q125 WeakPolarHBondContact OH-CG 3.32Å; Y123-Q125 PolarHBondContact OH-NE2 3.18Å; Y123-R147 HydrophobicContact CE2-CB 4.2Å; Y123-I148 WeakPolarHBondContact CA-O 3.38Å; Y123-I148 WeakPolarHBondContact CD2-O 3.33Å; Y123-W149 AromaticContact CD2-CD1 3.41Å; Y123-W149 VanDerWaalsContact CD2-CD1 3.41Å; Y123-W149 AromaticContact CD2-CD2 3.81Å; Y123-W149 HydrophobicContact CD2-CD2 3.81Å; Y123-W149 AromaticContact CD2-CE2 3.49Å; Y123-W149 VanDerWaalsContact CD2-CE2 3.49Å; Y123-W149 AromaticContact CD2-CG 3.79Å; Y123-W149 HydrophobicContact CD2-CG 3.79Å; Y123-W149 HydrophobicContact CD2-CZ2 4.19Å; Y123-W149 AromaticContact CD2-NE1 3.2Å; Y123-W149 AromaticContact CE2-CD2 3.91Å; Y123-W149 HydrophobicContact CE2-CD2 3.91Å; Y123-W149 AromaticContact CE2-CE2 3.3Å; Y123-W149 HydrophobicContact CE2-CG 4.37Å; Y123-W149 HydrophobicContact CE2-CH2 4.25Å; Y123-W149 AromaticContact CE2-CZ2 3.51Å; Y123-W149 HydrophobicContact CE2-CZ2 3.51Å; Y123-W149 AromaticContact CE2-NE1 3.41Å; Y123-N427 WeakPolarHBondContact CD1-O 3.33Å; Y123-N427 HydrophobicContact CE1-CB 4.48Å; Y123-N427 WeakPolarHBondContact CE1-O 3.05Å; Y123-V428 CarbonylContact O-C 3.56Å; Y123-V428 VanDerWaalsContact O-CA 3.23Å; Y123-V428 WeakPolarHBondContact O-CA 3.45Å; Y123-N429 PolarHBondContact N-OD1 2.86Å; Y123-N429 PolarHBondContact O-N 3.35Å; Y123-N429 PolarHBondContact O-OD1 3.21Å; Y123-C431 HydrophobicContact CD1-CB 3.79Å; Y123-C431 HydrophobicContact CE1-CB 3.87Å; Y123-C431 HydrophobicContact CG-CB 4.21Å; Y123-F456 VanDerWaalsContact N-CE1 3.31Å
124	V	88.1	Confident	79	Confident	6 Å²	6	54.2 Å²	54.2	4%	0.036	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	143.9	173.1	64.7	0	0	0	0	111.7	F122 I148 L372 F425 V428	F122-V124 HydrophobicContact CD2-CB 4.29Å; F122-V124 HydrophobicContact CD2-CG1 3.96Å; F122-V124 HydrophobicContact CE2-CB 4.46Å; F122-V124 HydrophobicContact CE2-CG1 3.66Å; V124-I148 HydrophobicContact CG1-CB 3.88Å; V124-I148 HydrophobicContact CG1-CD1 4.34Å; V124-I148 HydrophobicContact CG1-CG1 4.48Å; V124-I148 PolarHBondContact N-O 2.91Å; V124-I148 PolarHBondContact O-N 2.87Å; V124-L372 HydrophobicContact CB-CD1 3.84Å; V124-L372 HydrophobicContact CG1-CD1 4.28Å; V124-L372 HydrophobicContact CG2-CD1 3.96Å; V124-F425 HydrophobicContact CG2-CB 4.43Å; V124-F425 HydrophobicContact CG2-CD1 4.3Å; V124-V428 HydrophobicContact CB-CG2 4.37Å; V124-V428 HydrophobicContact CG2-CG2 3.9Å
125	Q	88.8	Confident	77.9	Confident	49 Å²	49	54 Å²	54	23%	0.229	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	122.7	165.6	-60.9	-171.9	4.3	0	0	109.4	Y123 V145 R147 F425 G426 N427	Y123-Q125 HydrophobicContact CE1-CG 3.97Å; Y123-Q125 WeakPolarHBondContact OH-CG 3.32Å; Y123-Q125 PolarHBondContact OH-NE2 3.18Å; Q125-V145 HydrophobicContact CB-CG1 4.11Å; Q125-V145 HydrophobicContact CG-CG1 4.43Å; Q125-R147 HydrophobicContact CG-CG 4.26Å; Q125-F425 WeakPolarHBondContact O-CA 3Å; Q125-G426 PolarHBondContact N-O 2.85Å; Q125-G426 PolarHBondContact O-N 3.32Å; Q125-N427 HydrophobicContact CB-CB 4.31Å; Q125-N427 HydrophobicContact CG-CB 3.93Å; Q125-N427 PolarHBondContact NE2-ND2 3.1Å
126	M	83.3	Confident	76.8	Confident	53 Å²	53	55.5 Å²	55.5	26%	0.261	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	104.5	169	-177.3	-178.1	71.1	0	0	108.3	C146 I423 T424 F425	M126-C146 HydrophobicContact CB-CB 4.31Å; M126-C146 HydrophobicContact CE-CB 3.88Å; M126-C146 PolarHBondContact N-O 2.98Å; M126-C146 PolarHBondContact O-N 3.47Å; M126-I423 HydrophobicContact CG-CG2 3.8Å; M126-I423 HydrophobicContact SD-CG2 4.13Å; M126-T424 WeakPolarHBondContact CA-O 3.39Å; M126-F425 HydrophobicContact CB-CD1 4.12Å; M126-F425 HydrophobicContact CB-CE1 4.04Å; M126-F425 HydrophobicContact CG-CD1 4.1Å; M126-F425 HydrophobicContact CG-CE1 3.68Å; M126-F425 HydrophobicContact CG-CZ 4.12Å; M126-F425 HydrophobicContact SD-CE1 3.73Å; M126-F425 HydrophobicContact SD-CZ 3.96Å
127	K	82.7	Confident	75.8	Confident	74 Å²	74	57.9 Å²	57.9	32%	0.322	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.5	174.4	-177.2	-177.5	-169.1	-152.8	0	109.1	E129 D144 V145 I423 T424	K127-E129 VanDerWaalsContact CE-OE2 3.29Å; K127-E129 WeakPolarHBondContact CE-OE2 3.46Å; K127-E129 IonicContact NZ-OE2 3.89Å; K127-E129 PolarHBondContact NZ-OE2 2.76Å; K127-D144 WeakPolarHBondContact CA-O 3.25Å; K127-V145 HydrophobicContact CB-CG2 4.24Å; K127-V145 HydrophobicContact CG-CG2 4Å; K127-I423 CarbonylContact O-C 3.58Å; K127-I423 WeakPolarHBondContact O-CA 3.46Å; K127-T424 PolarHBondContact N-O 2.96Å; K127-T424 PolarHBondContact O-N 3.23Å
128	W	77.6	Confident	74.5	Confident	57 Å²	57	56.3 Å²	56.3	22%	0.216	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.6	167.6	74	-92.7	0	0	0	110.1	F130 P142 N143 D144 L161 R422 I423	W128-F130 HydrophobicContact CE3-CE2 4.29Å; W128-F130 HydrophobicContact CH2-CE2 4.27Å; W128-F130 AromaticContact CZ3-CD2 3.88Å; W128-F130 HydrophobicContact CZ3-CD2 3.88Å; W128-F130 AromaticContact CZ3-CE2 3.43Å; W128-F130 HydrophobicContact CZ3-CE2 3.43Å; W128-F130 VanDerWaalsContact CZ3-CE2 3.43Å; W128-F130 AromaticContact CZ3-CZ 3.92Å; W128-F130 HydrophobicContact CZ3-CZ 3.92Å; W128-P142 HydrophobicContact CH2-CB 3.55Å; W128-P142 HydrophobicContact CH2-CG 3.52Å; W128-P142 HydrophobicContact CZ2-CB 4.45Å; W128-P142 HydrophobicContact CZ3-CB 4.08Å; W128-P142 HydrophobicContact CZ3-CG 3.68Å; W128-N143 VanDerWaalsContact O-CA 3.23Å; W128-N143 WeakPolarHBondContact O-CA 3.3Å; W128-D144 HydrophobicContact CD2-CB 4.41Å; W128-D144 VanDerWaalsContact CE2-CB 3.46Å; W128-D144 HydrophobicContact CG-CB 4.43Å; W128-D144 HydrophobicContact CZ2-CB 3.83Å; W128-D144 PolarHBondContact N-O 2.83Å; W128-D144 PolarHBondContact O-N 2.78Å; W128-L161 HydrophobicContact CH2-CD2 3.55Å; W128-L161 HydrophobicContact CZ2-CB 4.14Å; W128-L161 HydrophobicContact CZ2-CD2 3.28Å; W128-L161 HydrophobicContact CZ2-CG 4.27Å; W128-R422 CarbonylContact C-O 3.39Å; W128-R422 VanDerWaalsContact CA-O 3.31Å; W128-R422 WeakPolarHBondContact CA-O 3.38Å; W128-I423 HydrophobicContact CB-CG1 4.35Å
129	E	76.9	Confident	73.2	Confident	36 Å²	36	60 Å²	60	17%	0.168	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	144.5	-178.3	63.1	-175.5	-160.1	0	0	109.9	K127 T131 N143 R422	K127-E129 VanDerWaalsContact CE-OE2 3.29Å; K127-E129 WeakPolarHBondContact CE-OE2 3.46Å; K127-E129 IonicContact NZ-OE2 3.89Å; K127-E129 PolarHBondContact NZ-OE2 2.76Å; E129-T131 HydrophobicContact CG-CG2 4.22Å; E129-N143 HydrophobicContact CB-CB 4.14Å; E129-R422 HydrophobicContact CG-CB 3.98Å; E129-R422 HydrophobicContact CG-CG 4.44Å; E129-R422 PolarHBondContact N-O 2.88Å; E129-R422 PolarHBondContact O-N 3.16Å; E129-R422 WeakPolarHBondContact OE1-CD 3.29Å; E129-R422 IonicContact OE1-CZ 2.7Å; E129-R422 IonicContact OE1-NE 2.99Å; E129-R422 IonicContact OE1-NH1 3.08Å; E129-R422 PolarHBondContact OE1-NH1 2.83Å
130	F	70.3	Confident	71.9	Confident	40 Å²	40	66 Å²	66	18%	0.175	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	139.7	162.8	-54.8	-76.4	0	0	0	110.4	W128 C141 P142 L415 N420 A421	W128-F130 HydrophobicContact CE3-CE2 4.29Å; W128-F130 HydrophobicContact CH2-CE2 4.27Å; W128-F130 AromaticContact CZ3-CD2 3.88Å; W128-F130 HydrophobicContact CZ3-CD2 3.88Å; W128-F130 AromaticContact CZ3-CE2 3.43Å; W128-F130 HydrophobicContact CZ3-CE2 3.43Å; W128-F130 VanDerWaalsContact CZ3-CE2 3.43Å; W128-F130 AromaticContact CZ3-CZ 3.92Å; W128-F130 HydrophobicContact CZ3-CZ 3.92Å; F130-C141 HydrophobicContact CB-CB 3.8Å; F130-C141 HydrophobicContact CD2-CB 4.49Å; F130-P142 HydrophobicContact CD2-CG 3.52Å; F130-P142 HydrophobicContact CE2-CG 3.39Å; F130-P142 PolarHBondContact N-O 3.39Å; F130-L415 HydrophobicContact CD1-CD1 3.7Å; F130-L415 HydrophobicContact CE1-CD1 3.4Å; F130-L415 HydrophobicContact CZ-CD1 4.37Å; F130-N420 CarbonylContact C-O 3.47Å; F130-N420 WeakPolarHBondContact CA-O 3.38Å; F130-A421 HydrophobicContact CD1-CB 3.8Å; F130-A421 HydrophobicContact CE1-CB 3.71Å
131	T	69.5	Low	70.6	Confident	26 Å²	26	63.5 Å²	63.5	16%	0.16	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142.7	178	57.1	0	0	0	0	109.8	E129 L419 N420	E129-T131 HydrophobicContact CG-CG2 4.22Å; T131-L419 WeakPolarHBondContact O-CA 3.4Å; T131-L419 WeakPolarHBondContact O-CD2 3.29Å; T131-N420 PolarHBondContact N-O 2.96Å; T131-N420 PolarHBondContact O-N 2.96Å; T131-N420 PolarHBondContact OG1-O 3.46Å
132	S	66.9	Low	69.5	Low	25 Å²	25	61.9 Å²	61.9	18%	0.175	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	146	178.3	-163.8	0	0	0	0	111.3	V134 V418 L419	S132-V134 VanDerWaalsContact C-N 3.27Å; S132-V134 PolarHBondContact OG-N 3.17Å; S132-V134 VanDerWaalsContact OG-N 3.16Å; S132-V418 WeakPolarHBondContact CA-O 3.38Å; S132-V418 WeakPolarHBondContact CB-O 3.39Å; S132-V418 VanDerWaalsContact OG-CG1 3.23Å; S132-V418 WeakPolarHBondContact OG-CG1 3.24Å; S132-V418 PolarHBondContact OG-O 3.2Å; S132-L419 VanDerWaalsContact CB-CD2 3.48Å
133	W	63.4	Low	68.7	Low	182 Å²	182	65.3 Å²	65.3	69%	0.689	32%	0.323	S	S	*	.	S	Bend	trans	-76.8	-18	165.9	65.9	-101.3	0	0	0	112.3	P135 H417 V418	W133-P135 WeakPolarHBondContact O-CD 2.89Å; W133-H417 PolarHBondContact NE1-O 3.04Å; W133-V418 HydrophobicContact CD2-CG1 3.86Å; W133-V418 HydrophobicContact CG-CG1 4.02Å; W133-V418 HydrophobicContact CZ2-CB 4.39Å; W133-V418 HydrophobicContact CZ2-CG1 3.8Å; W133-V418 HydrophobicContact CZ2-CG2 3.89Å; W133-V418 VanDerWaalsContact NE1-CA 3.28Å; W133-V418 VanDerWaalsContact NE1-CG1 3.29Å
134	V	64.3	Low	68.1	Low	45 Å²	45	65.5 Å²	65.5	27%	0.273	32%	0.324	S	S	.	.	S	Bend	trans	-77.7	125	174.6	174.2	0	0	0	0	108.9	S132 V137 V418	S132-V134 VanDerWaalsContact C-N 3.27Å; S132-V134 PolarHBondContact OG-N 3.17Å; S132-V134 VanDerWaalsContact OG-N 3.16Å; V134-V137 HydrophobicContact CB-CB 4.32Å; V134-V137 HydrophobicContact CB-CG2 3.8Å; V134-V137 HydrophobicContact CG1-CB 4.4Å; V134-V137 HydrophobicContact CG1-CG2 3.47Å; V134-V137 VanDerWaalsContact CG1-CG2 3.47Å; V134-V137 PolarHBondContact O-N 3.19Å; V134-V418 HydrophobicContact CB-CG1 3.85Å; V134-V418 HydrophobicContact CG2-CG1 3.21Å
135	P	54.5	Low	67.8	Low	104 Å²	104	66.9 Å²	66.9	68%	0.675	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	145.1	175.3	-24.8	34.3	0	0	0	111.7	W133 V137	W133-P135 WeakPolarHBondContact O-CD 2.89Å; P135-V137 PolarHBondContact O-N 2.79Å
136	L	55.1	Low	67.4	Low	109 Å²	109	65.1 Å²	65.1	57%	0.571	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	-22.9	178	-50.7	170.4	0	0	0	116.6	S138 R139	L136-S138 PolarHBondContact O-N 2.85Å; L136-R139 WeakPolarHBondContact O-CB 3.05Å; L136-R139 PolarHBondContact O-N 2.85Å
137	V	55.7	Low	67.6	Low	52 Å²	52	66.7 Å²	66.7	32%	0.315	33%	0.328	S	S	.	.	H	α-helix	trans	-61.3	-35.1	176.1	173.6	0	0	0	0	111.2	V134 P135 R139 I140 C141 L419	V134-V137 HydrophobicContact CB-CB 4.32Å; V134-V137 HydrophobicContact CB-CG2 3.8Å; V134-V137 HydrophobicContact CG1-CB 4.4Å; V134-V137 HydrophobicContact CG1-CG2 3.47Å; V134-V137 VanDerWaalsContact CG1-CG2 3.47Å; V134-V137 PolarHBondContact O-N 3.19Å; P135-V137 PolarHBondContact O-N 2.79Å; V137-R139 PolarHBondContact O-N 3.34Å; V137-I140 PolarHBondContact O-N 3.39Å; V137-C141 PolarHBondContact O-N 3.5Å; V137-C141 VanDerWaalsContact O-N 3.16Å; V137-C141 PolarHBondContact O-SG 2.85Å; V137-L419 HydrophobicContact CG1-CD2 3.95Å
138	S	53.9	Low	67.8	Low	62 Å²	62	64.7 Å²	64.7	43%	0.434	32%	0.321	S	S	.	.	H	α-helix	trans	-65.2	-17.6	174.9	58.7	0	0	0	0	114.7	L136	L136-S138 PolarHBondContact O-N 2.85Å
139	R	54.4	Low	68.4	Low	209 Å²	209	63 Å²	63	79%	0.789	31%	0.314	S	S	*	.	H	α-helix	trans	-81	-21.6	175.8	-68.4	-175.6	177	172	-0.9	113.1	L136 V137	L136-R139 WeakPolarHBondContact O-CB 3.05Å; L136-R139 PolarHBondContact O-N 2.85Å; V137-R139 PolarHBondContact O-N 3.34Å
140	I	55	Low	68.9	Low	136 Å²	136	61.3 Å²	61.3	70%	0.697	31%	0.307	S	S	*	.	H	α-helix	trans	-96.5	-20.7	179.7	-55.4	167.7	0	0	0	110.2	V137	V137-I140 PolarHBondContact O-N 3.39Å
141	C	57.2	Low	69.8	Low	18 Å²	18	59.7 Å²	59.7	12%	0.122	30%	0.301	C	S	.	.	S	Bend	trans	-62.9	130.7	172.9	-75.3	0	0	0	0	111.4	F130 V137	F130-C141 HydrophobicContact CB-CB 3.8Å; F130-C141 HydrophobicContact CD2-CB 4.49Å; V137-C141 PolarHBondContact O-N 3.5Å; V137-C141 VanDerWaalsContact O-N 3.16Å; V137-C141 PolarHBondContact O-SG 2.85Å
142	P	64.3	Low	70.6	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.032	30%	0.303	C	S	.	.			trans	-67.9	152.8	175.2	34.1	-42.6	0	0	0	110.8	W128 F130 W169	W128-P142 HydrophobicContact CH2-CB 3.55Å; W128-P142 HydrophobicContact CH2-CG 3.52Å; W128-P142 HydrophobicContact CZ2-CB 4.45Å; W128-P142 HydrophobicContact CZ3-CB 4.08Å; W128-P142 HydrophobicContact CZ3-CG 3.68Å; F130-P142 HydrophobicContact CD2-CG 3.52Å; F130-P142 HydrophobicContact CE2-CG 3.39Å; F130-P142 PolarHBondContact N-O 3.39Å; P142-W169 HydrophobicContact CB-CD2 3.61Å; P142-W169 HydrophobicContact CB-CE3 3.95Å; P142-W169 HydrophobicContact CB-CG 4.12Å; P142-W169 HydrophobicContact CB-CH2 4.25Å; P142-W169 HydrophobicContact CB-CZ2 3.93Å; P142-W169 HydrophobicContact CB-CZ3 4.23Å; P142-W169 VanDerWaalsContact CD-CE2 3.45Å; P142-W169 HydrophobicContact CG-CD2 3.92Å; P142-W169 VanDerWaalsContact CG-CE2 3.45Å; P142-W169 HydrophobicContact CG-CE3 4.08Å; P142-W169 HydrophobicContact CG-CH2 3.48Å; P142-W169 VanDerWaalsContact CG-CH2 3.48Å; P142-W169 HydrophobicContact CG-CZ2 3.26Å; P142-W169 HydrophobicContact CG-CZ3 3.86Å
143	N	71.7	Confident	71.4	Confident	77 Å²	77	59 Å²	59	41%	0.412	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.8	168.4	62.9	-18.3	0	0	0	108.1	W128 E129	W128-N143 VanDerWaalsContact O-CA 3.23Å; W128-N143 WeakPolarHBondContact O-CA 3.3Å; E129-N143 HydrophobicContact CB-CB 4.14Å
144	D	75.6	Confident	72.6	Confident	10 Å²	10	52.9 Å²	52.9	5%	0.053	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	162.4	168.5	-157.2	-5.5	0	0	0	109.7	K127 W128 T160 L161	K127-D144 WeakPolarHBondContact CA-O 3.25Å; W128-D144 HydrophobicContact CD2-CB 4.41Å; W128-D144 VanDerWaalsContact CE2-CB 3.46Å; W128-D144 HydrophobicContact CG-CB 4.43Å; W128-D144 HydrophobicContact CZ2-CB 3.83Å; W128-D144 PolarHBondContact N-O 2.83Å; W128-D144 PolarHBondContact O-N 2.78Å; D144-T160 VanDerWaalsContact CG-OG1 3.27Å; D144-T160 WeakPolarHBondContact OD1-CB 3.42Å; D144-T160 PolarHBondContact OD1-N 2.83Å; D144-T160 PolarHBondContact OD1-OG1 2.95Å; D144-T160 PolarHBondContact OD2-N 2.94Å; D144-L161 HydrophobicContact CB-CB 4.27Å; D144-L161 WeakPolarHBondContact OD2-CB 3.5Å; D144-L161 PolarHBondContact OD2-N 3.21Å
145	V	82	Confident	73.6	Confident	36 Å²	36	51.1 Å²	51.1	22%	0.218	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	102.1	170.5	-178.5	0	0	0	0	107.3	Q125 K127 R147	Q125-V145 HydrophobicContact CB-CG1 4.11Å; Q125-V145 HydrophobicContact CG-CG1 4.43Å; K127-V145 HydrophobicContact CB-CG2 4.24Å; K127-V145 HydrophobicContact CG-CG2 4Å; V145-R147 HydrophobicContact CG1-CG 4.29Å
146	C	81.9	Confident	75.2	Confident	12 Å²	12	48 Å²	48	8%	0.081	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	126.9	169.8	177.2	0	0	0	0	108.8	M126 V157 D158	M126-C146 HydrophobicContact CB-CB 4.31Å; M126-C146 HydrophobicContact CE-CB 3.88Å; M126-C146 PolarHBondContact N-O 2.98Å; M126-C146 PolarHBondContact O-N 3.47Å; C146-V157 VanDerWaalsContact SG-CG1 3.54Å; C146-D158 VanDerWaalsContact CA-O 3.31Å; C146-D158 WeakPolarHBondContact CA-O 3.38Å
147	R	87.1	Confident	76.5	Confident	85 Å²	85	44.2 Å²	44.2	32%	0.321	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.5	176.8	-57.4	-178.1	179.6	81.2	0.3	108.9	Y123 Q125 V145 W149 V157 D158	Y123-R147 HydrophobicContact CE2-CB 4.2Å; Q125-R147 HydrophobicContact CG-CG 4.26Å; V145-R147 HydrophobicContact CG1-CG 4.29Å; R147-W149 HydrophobicContact CB-CE3 4.15Å; R147-W149 HydrophobicContact CB-CH2 3.29Å; R147-W149 HydrophobicContact CB-CZ2 4.08Å; R147-W149 HydrophobicContact CB-CZ3 3.32Å; R147-W149 HydrophobicContact CG-CH2 4.09Å; R147-W149 WeakPolarHBondContact O-CZ3 3.45Å; R147-V157 CarbonylContact O-C 3.59Å; R147-V157 WeakPolarHBondContact O-CA 3.41Å; R147-D158 HydrophobicContact CB-CB 4.23Å; R147-D158 PolarHBondContact N-O 3.45Å; R147-D158 PolarHBondContact O-N 2.66Å
148	I	86.4	Confident	77.9	Confident	32 Å²	32	42.7 Å²	42.7	16%	0.164	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.9	-175.3	-54.4	172.5	0	0	0	108.1	F122 Y123 V124 L155 R156 V157	F122-I148 HydrophobicContact CE2-CG2 4.14Å; F122-I148 HydrophobicContact CZ-CG2 4.45Å; Y123-I148 WeakPolarHBondContact CA-O 3.38Å; Y123-I148 WeakPolarHBondContact CD2-O 3.33Å; V124-I148 HydrophobicContact CG1-CB 3.88Å; V124-I148 HydrophobicContact CG1-CD1 4.34Å; V124-I148 HydrophobicContact CG1-CG1 4.48Å; V124-I148 PolarHBondContact N-O 2.91Å; V124-I148 PolarHBondContact O-N 2.87Å; I148-L155 HydrophobicContact CG2-CD1 3.71Å; I148-R156 WeakPolarHBondContact CA-O 3.36Å; I148-V157 HydrophobicContact CG1-CG1 4.43Å; I148-V157 HydrophobicContact CG1-CG2 4.47Å
149	W	89.7	Confident	79	Confident	21 Å²	21	41.7 Å²	41.7	8%	0.08	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.6	171.2	-62.6	-102.6	0	0	0	108.9	Y123 R147 L155 R156 D158 V458 V462 F463	Y123-W149 AromaticContact CD2-CD1 3.41Å; Y123-W149 VanDerWaalsContact CD2-CD1 3.41Å; Y123-W149 AromaticContact CD2-CD2 3.81Å; Y123-W149 HydrophobicContact CD2-CD2 3.81Å; Y123-W149 AromaticContact CD2-CE2 3.49Å; Y123-W149 VanDerWaalsContact CD2-CE2 3.49Å; Y123-W149 AromaticContact CD2-CG 3.79Å; Y123-W149 HydrophobicContact CD2-CG 3.79Å; Y123-W149 HydrophobicContact CD2-CZ2 4.19Å; Y123-W149 AromaticContact CD2-NE1 3.2Å; Y123-W149 AromaticContact CE2-CD2 3.91Å; Y123-W149 HydrophobicContact CE2-CD2 3.91Å; Y123-W149 AromaticContact CE2-CE2 3.3Å; Y123-W149 HydrophobicContact CE2-CG 4.37Å; Y123-W149 HydrophobicContact CE2-CH2 4.25Å; Y123-W149 AromaticContact CE2-CZ2 3.51Å; Y123-W149 HydrophobicContact CE2-CZ2 3.51Å; Y123-W149 AromaticContact CE2-NE1 3.41Å; R147-W149 HydrophobicContact CB-CE3 4.15Å; R147-W149 HydrophobicContact CB-CH2 3.29Å; R147-W149 HydrophobicContact CB-CZ2 4.08Å; R147-W149 HydrophobicContact CB-CZ3 3.32Å; R147-W149 HydrophobicContact CG-CH2 4.09Å; R147-W149 WeakPolarHBondContact O-CZ3 3.45Å; W149-L155 CarbonylContact O-C 3.56Å; W149-L155 WeakPolarHBondContact O-CA 3.49Å; W149-R156 HydrophobicContact CB-CB 4.39Å; W149-R156 HydrophobicContact CE3-CB 4.22Å; W149-R156 HydrophobicContact CE3-CG 3.94Å; W149-R156 HydrophobicContact CZ3-CG 4.27Å; W149-R156 PolarHBondContact N-O 3.25Å; W149-R156 PolarHBondContact O-N 2.85Å; W149-D158 HydrophobicContact CH2-CB 4.35Å; W149-D158 WeakPolarHBondContact CH2-OD2 3.49Å; W149-D158 HydrophobicContact CZ3-CB 3.93Å; W149-D158 WeakPolarHBondContact CZ3-OD2 3.21Å; W149-V458 HydrophobicContact CB-CG1 4.17Å; W149-V458 HydrophobicContact CG-CG1 4.42Å; W149-V462 HydrophobicContact CB-CG1 4.23Å; W149-V462 HydrophobicContact CD2-CG1 3.9Å; W149-V462 HydrophobicContact CE3-CG1 4.47Å; W149-V462 HydrophobicContact CG-CG1 3.79Å; W149-F463 HydrophobicContact CB-CE1 4.39Å; W149-F463 HydrophobicContact CB-CZ 4.2Å
150	K	88.9	Confident	80	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	126.4	176.6	-176.5	-87.2	173.3	-155.1	0	108.6	I116 A119 D121 F122 G152 K154 L155 I381 V458	I116-K150 WeakPolarHBondContact O-CE 2.99Å; I116-K150 PolarHBondContact O-NZ 3.45Å; A119-K150 PolarHBondContact O-NZ 2.89Å; D121-K150 WeakPolarHBondContact CA-O 2.92Å; D121-K150 WeakPolarHBondContact CB-O 3.37Å; D121-K150 IonicContact OD1-NZ 3.23Å; D121-K150 PolarHBondContact OD1-NZ 2.72Å; F122-K150 HydrophobicContact CD1-CB 3.8Å; F122-K150 HydrophobicContact CD1-CD 4.16Å; F122-K150 HydrophobicContact CD1-CG 4.24Å; F122-K150 HydrophobicContact CE1-CB 3.58Å; F122-K150 HydrophobicContact CE1-CD 4.18Å; F122-K150 HydrophobicContact CE1-CG 3.87Å; F122-K150 HydrophobicContact CE2-CB 4.47Å; F122-K150 HydrophobicContact CG-CB 4.34Å; F122-K150 HydrophobicContact CZ-CB 3.95Å; F122-K150 PolarHBondContact N-O 2.69Å; F122-K150 VanDerWaalsContact N-O 3.12Å; F122-K150 PolarHBondContact O-N 3.42Å; K150-G152 WeakPolarHBondContact CE-O 3.13Å; K150-G152 PolarHBondContact NZ-O 3.02Å; K150-K154 WeakPolarHBondContact CA-O 3.45Å; K150-L155 HydrophobicContact CB-CD1 4.28Å; K150-I381 HydrophobicContact CG-CD1 4.4Å; K150-V458 WeakPolarHBondContact O-CG2 3.39Å
151	S	89.3	Confident	80.7	Confident	6 Å²	6	28.8 Å²	28.8	4%	0.042	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	118.7	172.7	-168.6	0	0	0	0	112.7	D121 A153 K154 Q460 F463	D121-S151 VanDerWaalsContact CG-CA 3.43Å; D121-S151 VanDerWaalsContact OD1-CA 3.3Å; D121-S151 WeakPolarHBondContact OD1-CA 3.41Å; D121-S151 VanDerWaalsContact OD2-CA 3.31Å; D121-S151 WeakPolarHBondContact OD2-CA 3.42Å; D121-S151 WeakPolarHBondContact OD2-CB 3.37Å; D121-S151 PolarHBondContact OD2-OG 3.48Å; S151-A153 PolarHBondContact O-N 2.95Å; S151-K154 PolarHBondContact N-O 2.88Å; S151-K154 WeakPolarHBondContact O-CA 3.23Å; S151-K154 VanDerWaalsContact O-CB 3.28Å; S151-K154 WeakPolarHBondContact O-CB 3.34Å; S151-K154 PolarHBondContact O-N 2.91Å; S151-Q460 PolarHBondContact OG-NE2 2.85Å; S151-F463 VanDerWaalsContact CB-CE2 3.48Å
152	G	86.2	Confident	81.1	Confident	21 Å²	21	31 Å²	31	22%	0.216	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	-127.8	-172.6	0	0	0	0	0	111.1	I116 D121 K150 K154	I116-G152 VanDerWaalsContact O-O 3.14Å; D121-G152 PolarHBondContact OD1-N 2.98Å; K150-G152 WeakPolarHBondContact CE-O 3.13Å; K150-G152 PolarHBondContact NZ-O 3.02Å; G152-K154 VanDerWaalsContact C-N 3.28Å; G152-K154 PolarHBondContact O-N 3.26Å
153	A	83.9	Confident	80.9	Confident	15 Å²	15	31.4 Å²	31.4	12%	0.124	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	19.9	174.7	0	0	0	0	0	114.2	L117 S151 G180	L117-A153 HydrophobicContact CB-CB 4.36Å; L117-A153 HydrophobicContact CD1-CB 4.12Å; S151-A153 PolarHBondContact O-N 2.95Å; A153-G180 WeakPolarHBondContact CB-O 3.49Å; A153-G180 PolarHBondContact O-N 3.3Å
154	K	86.9	Confident	79.8	Confident	54 Å²	54	28.5 Å²	28.5	24%	0.235	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	138.7	177.9	-52.5	177.3	-174.9	174.3	0	110.9	K150 S151 G152 F178 K179 F463	K150-K154 WeakPolarHBondContact CA-O 3.45Å; S151-K154 PolarHBondContact N-O 2.88Å; S151-K154 WeakPolarHBondContact O-CA 3.23Å; S151-K154 VanDerWaalsContact O-CB 3.28Å; S151-K154 WeakPolarHBondContact O-CB 3.34Å; S151-K154 PolarHBondContact O-N 2.91Å; G152-K154 VanDerWaalsContact C-N 3.28Å; G152-K154 PolarHBondContact O-N 3.26Å; K154-F178 CarbonylContact C-O 3.55Å; K154-F178 VanDerWaalsContact CA-O 3.27Å; K154-F178 WeakPolarHBondContact CA-O 3.1Å; K154-K179 HydrophobicContact CG-CG 4.34Å; K154-F463 HydrophobicContact CB-CD1 3.69Å; K154-F463 HydrophobicContact CB-CD2 4.24Å; K154-F463 HydrophobicContact CB-CE1 3.71Å; K154-F463 HydrophobicContact CB-CE2 4.26Å; K154-F463 HydrophobicContact CB-CG 3.97Å; K154-F463 HydrophobicContact CB-CZ 4Å; K154-F463 HydrophobicContact CD-CB 4.11Å; K154-F463 HydrophobicContact CD-CD1 4.48Å; K154-F463 HydrophobicContact CD-CD2 3.89Å; K154-F463 HydrophobicContact CD-CE2 4.46Å; K154-F463 HydrophobicContact CD-CG 3.9Å
155	L	86.1	Confident	78.4	Confident	7 Å²	7	33.5 Å²	33.5	4%	0.037	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	134.3	177.3	179	72.5	0	0	0	108.9	I148 W149 K150 V157 I177 F178 I381	I148-L155 HydrophobicContact CG2-CD1 3.71Å; W149-L155 CarbonylContact O-C 3.56Å; W149-L155 WeakPolarHBondContact O-CA 3.49Å; K150-L155 HydrophobicContact CB-CD1 4.28Å; L155-V157 HydrophobicContact CD2-CG2 4.29Å; L155-V157 HydrophobicContact CG-CG2 4.19Å; L155-I177 CarbonylContact O-C 3.53Å; L155-I177 WeakPolarHBondContact O-CA 3.41Å; L155-F178 HydrophobicContact CB-CB 4.28Å; L155-F178 PolarHBondContact N-O 3.33Å; L155-F178 PolarHBondContact O-N 2.88Å; L155-I381 HydrophobicContact CD1-CD1 4.06Å; L155-I381 HydrophobicContact CD1-CG2 4.41Å; L155-I381 HydrophobicContact CD2-CG2 3.76Å
156	R	87.3	Confident	76.6	Confident	39 Å²	39	38.5 Å²	38.5	15%	0.147	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.4	170.5	174.4	173.7	167.5	172.6	-3.9	109.5	I148 W149 D158 S175 F176 I177 V462 F463	I148-R156 WeakPolarHBondContact CA-O 3.36Å; W149-R156 HydrophobicContact CB-CB 4.39Å; W149-R156 HydrophobicContact CE3-CB 4.22Å; W149-R156 HydrophobicContact CE3-CG 3.94Å; W149-R156 HydrophobicContact CZ3-CG 4.27Å; W149-R156 PolarHBondContact N-O 3.25Å; W149-R156 PolarHBondContact O-N 2.85Å; R156-D158 WeakPolarHBondContact CG-OD1 3.29Å; R156-D158 IonicContact CZ-OD1 3.37Å; R156-D158 IonicContact CZ-OD2 2.97Å; R156-D158 IonicContact NE-OD1 3.97Å; R156-D158 PolarHBondContact NE-OD1 3.36Å; R156-D158 IonicContact NE-OD2 3Å; R156-D158 IonicContact NH2-OD1 2.71Å; R156-D158 PolarHBondContact NH2-OD1 2.83Å; R156-D158 IonicContact NH2-OD2 2.86Å; R156-D158 PolarHBondContact NH2-OD2 3.36Å; R156-S175 PolarHBondContact NH2-OG 2.81Å; R156-F176 CarbonylContact C-O 3.58Å; R156-F176 VanDerWaalsContact CA-O 3.29Å; R156-F176 WeakPolarHBondContact CA-O 3.49Å; R156-I177 HydrophobicContact CB-CG1 4.31Å; R156-I177 HydrophobicContact CG-CG1 3.98Å; R156-V462 WeakPolarHBondContact CD-O 3.45Å; R156-V462 PolarHBondContact NH1-O 2.88Å; R156-F463 HydrophobicContact CB-CD1 3.95Å; R156-F463 HydrophobicContact CB-CE1 3.88Å
157	V	83	Confident	74.7	Confident	29 Å²	29	42.4 Å²	42.4	18%	0.176	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	115.5	176.9	-175	0	0	0	0	108.8	C146 R147 I148 L155 I159 S175 F176	C146-V157 VanDerWaalsContact SG-CG1 3.54Å; R147-V157 CarbonylContact O-C 3.59Å; R147-V157 WeakPolarHBondContact O-CA 3.41Å; I148-V157 HydrophobicContact CG1-CG1 4.43Å; I148-V157 HydrophobicContact CG1-CG2 4.47Å; L155-V157 HydrophobicContact CD2-CG2 4.29Å; L155-V157 HydrophobicContact CG-CG2 4.19Å; V157-I159 HydrophobicContact CG1-CG2 4.13Å; V157-S175 WeakPolarHBondContact O-CA 3.42Å; V157-F176 PolarHBondContact N-O 2.88Å; V157-F176 PolarHBondContact O-N 2.84Å
158	D	84.8	Confident	72.8	Confident	21 Å²	21	41.4 Å²	41.4	11%	0.112	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.4	174.4	-68.2	6.9	0	0	0	109.7	C146 R147 W149 R156 R174 S175	C146-D158 VanDerWaalsContact CA-O 3.31Å; C146-D158 WeakPolarHBondContact CA-O 3.38Å; R147-D158 HydrophobicContact CB-CB 4.23Å; R147-D158 PolarHBondContact N-O 3.45Å; R147-D158 PolarHBondContact O-N 2.66Å; W149-D158 HydrophobicContact CH2-CB 4.35Å; W149-D158 WeakPolarHBondContact CH2-OD2 3.49Å; W149-D158 HydrophobicContact CZ3-CB 3.93Å; W149-D158 WeakPolarHBondContact CZ3-OD2 3.21Å; R156-D158 WeakPolarHBondContact CG-OD1 3.29Å; R156-D158 IonicContact CZ-OD1 3.37Å; R156-D158 IonicContact CZ-OD2 2.97Å; R156-D158 IonicContact NE-OD1 3.97Å; R156-D158 PolarHBondContact NE-OD1 3.36Å; R156-D158 IonicContact NE-OD2 3Å; R156-D158 IonicContact NH2-OD1 2.71Å; R156-D158 PolarHBondContact NH2-OD1 2.83Å; R156-D158 IonicContact NH2-OD2 2.86Å; R156-D158 PolarHBondContact NH2-OD2 3.36Å; D158-R174 WeakPolarHBondContact CA-O 3.07Å; D158-S175 VanDerWaalsContact OD1-CB 3.23Å; D158-S175 WeakPolarHBondContact OD1-CB 3.35Å; D158-S175 PolarHBondContact OD1-OG 3.3Å; D158-S175 PolarHBondContact OD2-OG 2.82Å
159	I	76.3	Confident	71.6	Confident	41 Å²	41	43.1 Å²	43.1	21%	0.21	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	153.2	176.4	66.1	165.6	0	0	0	110.6	V157 L162 R174 F176	V157-I159 HydrophobicContact CG1-CG2 4.13Å; I159-L162 HydrophobicContact CD1-CD2 3.92Å; I159-L162 HydrophobicContact CG1-CD2 4.18Å; I159-R174 HydrophobicContact CD1-CB 4.45Å; I159-R174 HydrophobicContact CG1-CB 3.93Å; I159-R174 PolarHBondContact N-O 3.21Å; I159-R174 PolarHBondContact O-N 2.92Å; I159-R174 VanDerWaalsContact O-N 3.14Å; I159-F176 HydrophobicContact CD1-CE2 3.62Å; I159-F176 HydrophobicContact CD1-CZ 4.4Å; I159-F176 HydrophobicContact CG1-CE2 3.92Å
160	T	77.5	Confident	70.5	Confident	45 Å²	45	45.1 Å²	45.1	28%	0.276	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	-18.9	174.5	78.8	0	0	0	0	114.4	D144 R171 G172	D144-T160 VanDerWaalsContact CG-OG1 3.27Å; D144-T160 WeakPolarHBondContact OD1-CB 3.42Å; D144-T160 PolarHBondContact OD1-N 2.83Å; D144-T160 PolarHBondContact OD1-OG1 2.95Å; D144-T160 PolarHBondContact OD2-N 2.94Å; T160-R171 CarbonylContact O-C 3.56Å; T160-R171 VanDerWaalsContact O-CA 3.25Å; T160-R171 WeakPolarHBondContact O-CA 3.38Å; T160-G172 CarbonylContact C-O 3.56Å; T160-G172 VanDerWaalsContact CA-O 3.23Å; T160-G172 WeakPolarHBondContact CA-O 3.34Å; T160-G172 PolarHBondContact O-N 2.66Å; T160-G172 VanDerWaalsContact O-O 3.07Å
161	L	68.4	Low	70	Confident	29 Å²	29	51.9 Å²	51.9	15%	0.152	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	115.2	169.8	-170.5	75.1	0	0	0	109.8	W128 D144 W169 R171	W128-L161 HydrophobicContact CH2-CD2 3.55Å; W128-L161 HydrophobicContact CZ2-CB 4.14Å; W128-L161 HydrophobicContact CZ2-CD2 3.28Å; W128-L161 HydrophobicContact CZ2-CG 4.27Å; D144-L161 HydrophobicContact CB-CB 4.27Å; D144-L161 WeakPolarHBondContact OD2-CB 3.5Å; D144-L161 PolarHBondContact OD2-N 3.21Å; L161-W169 HydrophobicContact CD1-CB 3.82Å; L161-W169 HydrophobicContact CD1-CD2 4.37Å; L161-W169 HydrophobicContact CD1-CE3 3.89Å; L161-W169 HydrophobicContact CD1-CG 4.37Å; L161-W169 HydrophobicContact CD2-CE3 3.83Å; L161-W169 HydrophobicContact CD2-CZ3 4.13Å; L161-W169 HydrophobicContact CG-CE3 4.49Å; L161-R171 HydrophobicContact CD1-CG 4.11Å
162	L	66.6	Low	69.5	Low	65 Å²	65	52 Å²	52	34%	0.34	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-33	-177.9	-54.6	-172.8	0	0	0	112.3	I159 I170 G172 R174	I159-L162 HydrophobicContact CD1-CD2 3.92Å; I159-L162 HydrophobicContact CG1-CD2 4.18Å; L162-I170 HydrophobicContact CB-CG2 4.11Å; L162-I170 PolarHBondContact N-O 2.85Å; L162-G172 WeakPolarHBondContact CD2-O 3.12Å; L162-R174 HydrophobicContact CD1-CG 4.1Å; L162-R174 HydrophobicContact CD2-CB 3.97Å; L162-R174 HydrophobicContact CD2-CG 3.33Å; L162-R174 HydrophobicContact CG-CG 4.36Å
163	G	59.3	Low	69.5	Low	13 Å²	13	57.5 Å²	57.5	13%	0.134	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.3	-169.6	-178.1	0	0	0	0	0	113.2	I170	G163-I170 PolarHBondContact N-O 2.88Å; G163-I170 PolarHBondContact O-N 3.38Å
164	F	48.8	Very low	69.4	Low	16 Å²	16	59.6 Å²	59.6	7%	0.07	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	121.3	177.5	178.5	-102.1	0	0	0	108.5	M167 S168 W169 A491 Q494 E498	F164-M167 VanDerWaalsContact CZ-CA 3.44Å; F164-M167 HydrophobicContact CZ-CB 4.47Å; F164-S168 WeakPolarHBondContact CA-O 3.46Å; F164-S168 WeakPolarHBondContact CD2-O 3.21Å; F164-W169 HydrophobicContact CB-CE3 3.93Å; F164-W169 HydrophobicContact CB-CZ3 3.82Å; F164-W169 AromaticContact CD2-CD2 3.65Å; F164-W169 HydrophobicContact CD2-CD2 3.65Å; F164-W169 AromaticContact CD2-CE2 3.88Å; F164-W169 AromaticContact CD2-CE3 3.48Å; F164-W169 HydrophobicContact CD2-CE3 3.48Å; F164-W169 VanDerWaalsContact CD2-CE3 3.48Å; F164-W169 HydrophobicContact CD2-CG 4.35Å; F164-W169 AromaticContact CD2-CH2 3.75Å; F164-W169 HydrophobicContact CD2-CH2 3.75Å; F164-W169 AromaticContact CD2-CZ2 3.91Å; F164-W169 HydrophobicContact CD2-CZ2 3.91Å; F164-W169 AromaticContact CD2-CZ3 3.56Å; F164-W169 HydrophobicContact CD2-CZ3 3.56Å; F164-W169 HydrophobicContact CE2-CD2 4.17Å; F164-W169 AromaticContact CE2-CE2 3.94Å; F164-W169 HydrophobicContact CE2-CE3 4.35Å; F164-W169 HydrophobicContact CE2-CH2 4.06Å; F164-W169 AromaticContact CE2-CZ2 3.86Å; F164-W169 HydrophobicContact CE2-CZ2 3.86Å; F164-W169 HydrophobicContact CE2-CZ3 4.32Å; F164-W169 HydrophobicContact CG-CE3 4.1Å; F164-W169 HydrophobicContact CG-CH2 4.26Å; F164-W169 AromaticContact CG-CZ3 3.91Å; F164-W169 HydrophobicContact CG-CZ3 3.91Å; F164-A491 HydrophobicContact CB-CB 3.8Å; F164-Q494 HydrophobicContact CE1-CB 4.36Å; F164-E498 WeakPolarHBondContact CE1-OE2 3.16Å
165	E	46.5	Very low	69.4	Low	115 Å²	115	57.1 Å²	57.1	54%	0.537	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	138.6	-179.5	-165.6	-178	-174.3	0	0	108.9	M167 S168 I170	E165-M167 VanDerWaalsContact C-N 3.33Å; E165-M167 PolarHBondContact O-N 3.44Å; E165-S168 PolarHBondContact N-O 3.33Å; E165-S168 PolarHBondContact O-N 3.04Å; E165-S168 VanDerWaalsContact O-O 3.14Å; E165-S168 PolarHBondContact O-OG 3.29Å; E165-I170 HydrophobicContact CB-CD1 3.73Å; E165-I170 HydrophobicContact CB-CG1 4.34Å
166	N	44.1	Very low	69.1	Low	141 Å²	141	60.2 Å²	60.2	75%	0.754	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	47.1	176.3	-58.4	-38	0	0	0	114	S168	N166-S168 PolarHBondContact O-N 2.82Å
167	M	41.8	Very low	69	Low	94 Å²	94	58.4 Å²	58.4	46%	0.463	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	18.4	-177.7	-54.5	-165.5	73.2	0	0	115.4	F164 E165 E498 R501	F164-M167 VanDerWaalsContact CZ-CA 3.44Å; F164-M167 HydrophobicContact CZ-CB 4.47Å; E165-M167 VanDerWaalsContact C-N 3.33Å; E165-M167 PolarHBondContact O-N 3.44Å; M167-E498 HydrophobicContact CE-CB 4.47Å; M167-R501 HydrophobicContact CE-CB 4.31Å
168	S	47.4	Very low	68.9	Low	64 Å²	64	58.4 Å²	58.4	45%	0.448	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.7	-179.8	72.7	0	0	0	0	111.9	F164 E165 N166 I170	F164-S168 WeakPolarHBondContact CA-O 3.46Å; F164-S168 WeakPolarHBondContact CD2-O 3.21Å; E165-S168 PolarHBondContact N-O 3.33Å; E165-S168 PolarHBondContact O-N 3.04Å; E165-S168 VanDerWaalsContact O-O 3.14Å; E165-S168 PolarHBondContact O-OG 3.29Å; N166-S168 PolarHBondContact O-N 2.82Å; S168-I170 PolarHBondContact O-N 3.4Å
169	W	61.6	Low	68.9	Low	68 Å²	68	58.6 Å²	58.6	26%	0.258	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	118.8	176.6	-60.1	107.7	0	0	0	109.8	P142 L161 F164 R171	P142-W169 HydrophobicContact CB-CD2 3.61Å; P142-W169 HydrophobicContact CB-CE3 3.95Å; P142-W169 HydrophobicContact CB-CG 4.12Å; P142-W169 HydrophobicContact CB-CH2 4.25Å; P142-W169 HydrophobicContact CB-CZ2 3.93Å; P142-W169 HydrophobicContact CB-CZ3 4.23Å; P142-W169 VanDerWaalsContact CD-CE2 3.45Å; P142-W169 HydrophobicContact CG-CD2 3.92Å; P142-W169 VanDerWaalsContact CG-CE2 3.45Å; P142-W169 HydrophobicContact CG-CE3 4.08Å; P142-W169 HydrophobicContact CG-CH2 3.48Å; P142-W169 VanDerWaalsContact CG-CH2 3.48Å; P142-W169 HydrophobicContact CG-CZ2 3.26Å; P142-W169 HydrophobicContact CG-CZ3 3.86Å; L161-W169 HydrophobicContact CD1-CB 3.82Å; L161-W169 HydrophobicContact CD1-CD2 4.37Å; L161-W169 HydrophobicContact CD1-CE3 3.89Å; L161-W169 HydrophobicContact CD1-CG 4.37Å; L161-W169 HydrophobicContact CD2-CE3 3.83Å; L161-W169 HydrophobicContact CD2-CZ3 4.13Å; L161-W169 HydrophobicContact CG-CE3 4.49Å; F164-W169 HydrophobicContact CB-CE3 3.93Å; F164-W169 HydrophobicContact CB-CZ3 3.82Å; F164-W169 AromaticContact CD2-CD2 3.65Å; F164-W169 HydrophobicContact CD2-CD2 3.65Å; F164-W169 AromaticContact CD2-CE2 3.88Å; F164-W169 AromaticContact CD2-CE3 3.48Å; F164-W169 HydrophobicContact CD2-CE3 3.48Å; F164-W169 VanDerWaalsContact CD2-CE3 3.48Å; F164-W169 HydrophobicContact CD2-CG 4.35Å; F164-W169 AromaticContact CD2-CH2 3.75Å; F164-W169 HydrophobicContact CD2-CH2 3.75Å; F164-W169 AromaticContact CD2-CZ2 3.91Å; F164-W169 HydrophobicContact CD2-CZ2 3.91Å; F164-W169 AromaticContact CD2-CZ3 3.56Å; F164-W169 HydrophobicContact CD2-CZ3 3.56Å; F164-W169 HydrophobicContact CE2-CD2 4.17Å; F164-W169 AromaticContact CE2-CE2 3.94Å; F164-W169 HydrophobicContact CE2-CE3 4.35Å; F164-W169 HydrophobicContact CE2-CH2 4.06Å; F164-W169 AromaticContact CE2-CZ2 3.86Å; F164-W169 HydrophobicContact CE2-CZ2 3.86Å; F164-W169 HydrophobicContact CE2-CZ3 4.32Å; F164-W169 HydrophobicContact CG-CE3 4.1Å; F164-W169 HydrophobicContact CG-CH2 4.26Å; F164-W169 AromaticContact CG-CZ3 3.91Å; F164-W169 HydrophobicContact CG-CZ3 3.91Å; W169-R171 PolarHBondContact O-N 2.92Å
170	I	65.6	Low	68.9	Low	63 Å²	63	57.1 Å²	57.1	32%	0.323	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	109.5	171.9	-54.5	175.6	0	0	0	106.9	L162 G163 E165 S168	L162-I170 HydrophobicContact CB-CG2 4.11Å; L162-I170 PolarHBondContact N-O 2.85Å; G163-I170 PolarHBondContact N-O 2.88Å; G163-I170 PolarHBondContact O-N 3.38Å; E165-I170 HydrophobicContact CB-CD1 3.73Å; E165-I170 HydrophobicContact CB-CG1 4.34Å; S168-I170 PolarHBondContact O-N 3.4Å
171	R	77.8	Confident	68.8	Low	143 Å²	143	60.3 Å²	60.3	54%	0.54	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	144.7	175.3	-70.5	-173.9	170.5	129.9	-6.2	110.3	T160 L161 W169	T160-R171 CarbonylContact O-C 3.56Å; T160-R171 VanDerWaalsContact O-CA 3.25Å; T160-R171 WeakPolarHBondContact O-CA 3.38Å; L161-R171 HydrophobicContact CD1-CG 4.11Å; W169-R171 PolarHBondContact O-N 2.92Å
172	G	80.4	Confident	68.8	Low	8 Å²	8	65.9 Å²	65.9	8%	0.082	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	153.5	174.8	0	0	0	0	0	110.1	T160 L162 R174 D193	T160-G172 CarbonylContact C-O 3.56Å; T160-G172 VanDerWaalsContact CA-O 3.23Å; T160-G172 WeakPolarHBondContact CA-O 3.34Å; T160-G172 PolarHBondContact O-N 2.66Å; T160-G172 VanDerWaalsContact O-O 3.07Å; L162-G172 WeakPolarHBondContact CD2-O 3.12Å; G172-R174 PolarHBondContact O-N 3.36Å; G172-D193 VanDerWaalsContact CA-OD2 3.29Å; G172-D193 WeakPolarHBondContact CA-OD2 3.04Å
173	R	86.3	Confident	68.9	Low	138 Å²	138	68.1 Å²	68.1	52%	0.521	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	105.1	-174.3	-69.2	177.3	-62.6	159.1	7.3	110	H192 D193	R173-H192 HydrophobicContact CB-CB 3.84Å; R173-H192 WeakPolarHBondContact O-CB 3.29Å; R173-H192 PolarHBondContact O-N 2.8Å; R173-D193 IonicContact CZ-OD1 3.69Å; R173-D193 PolarHBondContact N-OD2 3.3Å; R173-D193 IonicContact NE-OD1 3.34Å; R173-D193 PolarHBondContact NE-OD1 2.74Å; R173-D193 IonicContact NH2-OD1 3.34Å; R173-D193 PolarHBondContact NH2-OD1 2.87Å
174	R	81.8	Confident	69.6	Low	59 Å²	59	70.4 Å²	70.4	22%	0.223	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.7	176.7	-63.1	-70.6	170	137.9	2.6	110.8	D158 I159 L162 G172 F176 E189 V190 N191	D158-R174 WeakPolarHBondContact CA-O 3.07Å; I159-R174 HydrophobicContact CD1-CB 4.45Å; I159-R174 HydrophobicContact CG1-CB 3.93Å; I159-R174 PolarHBondContact N-O 3.21Å; I159-R174 PolarHBondContact O-N 2.92Å; I159-R174 VanDerWaalsContact O-N 3.14Å; L162-R174 HydrophobicContact CD1-CG 4.1Å; L162-R174 HydrophobicContact CD2-CB 3.97Å; L162-R174 HydrophobicContact CD2-CG 3.33Å; L162-R174 HydrophobicContact CG-CG 4.36Å; G172-R174 PolarHBondContact O-N 3.36Å; R174-F176 HydrophobicContact CB-CE2 4.21Å; R174-E189 IonicContact CZ-OE1 3.91Å; R174-E189 IonicContact NE-OE1 2.67Å; R174-E189 IonicContact NH1-OE1 3.54Å; R174-E189 PolarHBondContact NH1-OE1 3.25Å; R174-V190 WeakPolarHBondContact CA-O 3.28Å; R174-N191 VanDerWaalsContact CZ-CG 3.4Å; R174-N191 VanDerWaalsContact CZ-ND2 3.26Å; R174-N191 PolarHBondContact NH2-ND2 2.88Å
175	S	85.4	Confident	70.9	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.007	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.3	169.3	-68	0	0	0	0	109.7	R156 V157 D158 V190 H192	R156-S175 PolarHBondContact NH2-OG 2.81Å; V157-S175 WeakPolarHBondContact O-CA 3.42Å; D158-S175 VanDerWaalsContact OD1-CB 3.23Å; D158-S175 WeakPolarHBondContact OD1-CB 3.35Å; D158-S175 PolarHBondContact OD1-OG 3.3Å; D158-S175 PolarHBondContact OD2-OG 2.82Å; S175-V190 PolarHBondContact N-O 2.91Å; S175-V190 PolarHBondContact O-N 2.99Å; S175-H192 WeakPolarHBondContact CB-NE2 3.07Å; S175-H192 PolarHBondContact OG-NE2 2.87Å
176	F	81.1	Confident	72.4	Confident	72 Å²	72	66 Å²	66	32%	0.316	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	115.4	171	-61	-84.4	0	0	0	107.9	R156 V157 I159 R174 M188 E189	R156-F176 CarbonylContact C-O 3.58Å; R156-F176 VanDerWaalsContact CA-O 3.29Å; R156-F176 WeakPolarHBondContact CA-O 3.49Å; V157-F176 PolarHBondContact N-O 2.88Å; V157-F176 PolarHBondContact O-N 2.84Å; I159-F176 HydrophobicContact CD1-CE2 3.62Å; I159-F176 HydrophobicContact CD1-CZ 4.4Å; I159-F176 HydrophobicContact CG1-CE2 3.92Å; R174-F176 HydrophobicContact CB-CE2 4.21Å; F176-M188 CarbonylContact C-O 3.55Å; F176-M188 WeakPolarHBondContact CA-O 3.34Å; F176-E189 HydrophobicContact CD1-CB 4.37Å; F176-E189 HydrophobicContact CD1-CG 4.14Å; F176-E189 HydrophobicContact CE1-CB 4.28Å; F176-E189 HydrophobicContact CE1-CG 3.69Å; F176-E189 HydrophobicContact CZ-CG 4.32Å
177	I	83.8	Confident	74.1	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123	178.5	-56	174.2	0	0	0	107.4	L155 R156 K179 L187 M188 V190 F463	L155-I177 CarbonylContact O-C 3.53Å; L155-I177 WeakPolarHBondContact O-CA 3.41Å; R156-I177 HydrophobicContact CB-CG1 4.31Å; R156-I177 HydrophobicContact CG-CG1 3.98Å; I177-K179 HydrophobicContact CG2-CG 4.26Å; I177-L187 CarbonylContact O-C 3.47Å; I177-L187 WeakPolarHBondContact O-CA 3.46Å; I177-M188 HydrophobicContact CB-CB 4.18Å; I177-M188 HydrophobicContact CB-SD 4.2Å; I177-M188 HydrophobicContact CG2-SD 4.08Å; I177-M188 PolarHBondContact N-O 2.62Å; I177-M188 PolarHBondContact O-N 3.06Å; I177-V190 HydrophobicContact CD1-CG2 3.99Å; I177-F463 HydrophobicContact CG2-CB 4.26Å; I177-F463 HydrophobicContact CG2-CD1 4.29Å
178	F	81.7	Confident	75.9	Confident	29 Å²	29	57.3 Å²	57.3	13%	0.127	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.5	175.4	178.6	-94.7	0	0	0	108.9	L113 K154 L155 A185 E186 L187 L384	L113-F178 HydrophobicContact CD2-CE1 3.38Å; L113-F178 HydrophobicContact CD2-CZ 3.5Å; K154-F178 CarbonylContact C-O 3.55Å; K154-F178 VanDerWaalsContact CA-O 3.27Å; K154-F178 WeakPolarHBondContact CA-O 3.1Å; L155-F178 HydrophobicContact CB-CB 4.28Å; L155-F178 PolarHBondContact N-O 3.33Å; L155-F178 PolarHBondContact O-N 2.88Å; F178-A185 HydrophobicContact CE2-CB 3.81Å; F178-A185 HydrophobicContact CZ-CB 3.86Å; F178-E186 CarbonylContact C-O 3.45Å; F178-E186 WeakPolarHBondContact CA-O 3.29Å; F178-L187 HydrophobicContact CB-CD1 4.41Å; F178-L187 HydrophobicContact CD2-CD1 4.49Å; F178-L384 HydrophobicContact CE1-CD2 4.18Å; F178-L384 HydrophobicContact CZ-CD2 4.21Å
179	K	83.9	Confident	77.6	Confident	25 Å²	25	57.3 Å²	57.3	11%	0.109	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	117.5	174.9	-60.5	-175.6	-175.5	-175.3	0	108.1	K154 I177 A185 E186 M188 F463 E464	K154-K179 HydrophobicContact CG-CG 4.34Å; I177-K179 HydrophobicContact CG2-CG 4.26Å; K179-A185 CarbonylContact O-C 3.51Å; K179-A185 WeakPolarHBondContact O-CA 3.25Å; K179-E186 PolarHBondContact N-O 3.2Å; K179-E186 PolarHBondContact O-N 2.87Å; K179-M188 HydrophobicContact CD-SD 4.39Å; K179-F463 WeakPolarHBondContact CE-O 3.49Å; K179-F463 PolarHBondContact NZ-O 3.25Å; K179-E464 IonicContact NZ-OE1 3.93Å; K179-E464 PolarHBondContact NZ-OE1 2.95Å; K179-E464 IonicContact NZ-OE2 2.82Å; K179-E464 PolarHBondContact NZ-OE2 3.12Å
180	G	76.8	Confident	78.8	Confident	10 Å²	10	54.2 Å²	54.2	10%	0.103	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136.9	174.1	0	0	0	0	0	112.2	A153	A153-G180 WeakPolarHBondContact CB-O 3.49Å; A153-G180 PolarHBondContact O-N 3.3Å
181	E	75.2	Confident	79.9	Confident	112 Å²	112	51.7 Å²	51.7	52%	0.523	24%	0.238	S	C	.	.			trans	-125.7	175.8	163.6	-70	-165.7	179.9	0	0	109.8	N183 W184	E181-N183 PolarHBondContact O-N 3.33Å; E181-N183 VanDerWaalsContact O-N 3.07Å; E181-W184 HydrophobicContact CB-CD2 4.37Å; E181-W184 HydrophobicContact CB-CG 4.44Å; E181-W184 HydrophobicContact CB-CZ2 4.36Å; E181-W184 VanDerWaalsContact CD-NE1 3.35Å; E181-W184 HydrophobicContact CG-CZ2 3.77Å; E181-W184 PolarHBondContact N-O 2.83Å; E181-W184 VanDerWaalsContact O-O 3.12Å; E181-W184 WeakPolarHBondContact OE1-CZ2 3.39Å; E181-W184 PolarHBondContact OE2-NE1 2.74Å
182	D	69.3	Low	80.5	Confident	145 Å²	145	46.3 Å²	46.3	78%	0.775	22%	0.219	S	C	*	.	S	Bend	trans	-54.9	-33.1	-171.7	-66.1	-27.6	0	0	0	114.1
183	N	68	Low	80.9	Confident	113 Å²	113	49.7 Å²	49.7	60%	0.604	24%	0.235	S	C	*	.	S	Bend	trans	-126.2	-6.2	-173.9	-80.3	-6	0	0	0	115	E181 L204	E181-N183 PolarHBondContact O-N 3.33Å; E181-N183 VanDerWaalsContact O-N 3.07Å; N183-L204 PolarHBondContact O-N 3.02Å
184	W	73.8	Confident	81.1	Confident	61 Å²	61	48.5 Å²	48.5	23%	0.231	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.2	178.4	66.7	-86.1	0	0	0	111.3	E181 E186 H201 F202	E181-W184 HydrophobicContact CB-CD2 4.37Å; E181-W184 HydrophobicContact CB-CG 4.44Å; E181-W184 HydrophobicContact CB-CZ2 4.36Å; E181-W184 VanDerWaalsContact CD-NE1 3.35Å; E181-W184 HydrophobicContact CG-CZ2 3.77Å; E181-W184 PolarHBondContact N-O 2.83Å; E181-W184 VanDerWaalsContact O-O 3.12Å; E181-W184 WeakPolarHBondContact OE1-CZ2 3.39Å; E181-W184 PolarHBondContact OE2-NE1 2.74Å; W184-E186 HydrophobicContact CE3-CB 3.97Å; W184-E186 HydrophobicContact CZ3-CB 3.44Å; W184-E186 VanDerWaalsContact CZ3-CB 3.44Å; W184-E186 HydrophobicContact CZ3-CG 4.47Å; W184-H201 AromaticContact CD2-CE1 3.38Å; W184-H201 AromaticContact CD2-NE2 3.9Å; W184-H201 AromaticContact CE3-CE1 3.05Å; W184-H201 AromaticContact CE3-ND1 3.55Å; W184-H201 AromaticContact CE3-NE2 3.9Å; W184-H201 AromaticContact CG-CE1 3.91Å; W184-H201 AromaticContact CG-NE2 3.94Å; W184-H201 AromaticContact CZ3-CE1 3.58Å; W184-H201 AromaticContact CZ3-ND1 3.84Å; W184-F202 CarbonylContact C-O 3.57Å; W184-F202 WeakPolarHBondContact CA-O 3.27Å; W184-F202 WeakPolarHBondContact CB-O 3.4Å
185	A	76.2	Confident	81.6	Confident	3 Å²	3	50.7 Å²	50.7	3%	0.025	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.2	170.6	0	0	0	0	0	109.2	F178 K179 F202	F178-A185 HydrophobicContact CE2-CB 3.81Å; F178-A185 HydrophobicContact CZ-CB 3.86Å; K179-A185 CarbonylContact O-C 3.51Å; K179-A185 WeakPolarHBondContact O-CA 3.25Å; A185-F202 HydrophobicContact CB-CB 4.33Å; A185-F202 HydrophobicContact CB-CD2 4.38Å; A185-F202 PolarHBondContact N-O 3.5Å; A185-F202 WeakPolarHBondContact O-CB 3.33Å; A185-F202 WeakPolarHBondContact O-CD2 3.46Å; A185-F202 PolarHBondContact O-N 2.9Å
186	E	79.1	Confident	81.7	Confident	34 Å²	34	52.4 Å²	52.4	16%	0.159	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.1	174	175.9	-175.7	-153.6	0	0	108.7	F178 K179 W184 M188 T199 E200	F178-E186 CarbonylContact C-O 3.45Å; F178-E186 WeakPolarHBondContact CA-O 3.29Å; K179-E186 PolarHBondContact N-O 3.2Å; K179-E186 PolarHBondContact O-N 2.87Å; W184-E186 HydrophobicContact CE3-CB 3.97Å; W184-E186 HydrophobicContact CZ3-CB 3.44Å; W184-E186 VanDerWaalsContact CZ3-CB 3.44Å; W184-E186 HydrophobicContact CZ3-CG 4.47Å; E186-M188 HydrophobicContact CG-CG 3.78Å; E186-M188 HydrophobicContact CG-SD 4.37Å; E186-T199 HydrophobicContact CG-CG2 3.69Å; E186-T199 WeakPolarHBondContact OE1-CG2 3.33Å; E186-E200 CarbonylContact C-O 3.59Å; E186-E200 VanDerWaalsContact CA-O 3.28Å; E186-E200 WeakPolarHBondContact CA-O 3.48Å
187	L	78.6	Confident	82.1	Confident	49 Å²	49	49 Å²	49	26%	0.257	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.3	171	-178.4	64.6	0	0	0	108.1	I177 F178 E200 F202	I177-L187 CarbonylContact O-C 3.47Å; I177-L187 WeakPolarHBondContact O-CA 3.46Å; F178-L187 HydrophobicContact CB-CD1 4.41Å; F178-L187 HydrophobicContact CD2-CD1 4.49Å; L187-E200 PolarHBondContact N-O 2.71Å; L187-E200 PolarHBondContact O-N 2.99Å; L187-F202 HydrophobicContact CB-CE2 3.78Å
188	M	80.8	Confident	82.1	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.02	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.2	-178.3	-41.5	165.6	72.9	0	0	107.6	F176 I177 K179 E186 V197 T198 T199 I465	F176-M188 CarbonylContact C-O 3.55Å; F176-M188 WeakPolarHBondContact CA-O 3.34Å; I177-M188 HydrophobicContact CB-CB 4.18Å; I177-M188 HydrophobicContact CB-SD 4.2Å; I177-M188 HydrophobicContact CG2-SD 4.08Å; I177-M188 PolarHBondContact N-O 2.62Å; I177-M188 PolarHBondContact O-N 3.06Å; K179-M188 HydrophobicContact CD-SD 4.39Å; E186-M188 HydrophobicContact CG-CG 3.78Å; E186-M188 HydrophobicContact CG-SD 4.37Å; M188-V197 HydrophobicContact CB-CG1 4.22Å; M188-V197 HydrophobicContact CE-CG1 4.36Å; M188-T198 CarbonylContact C-O 3.56Å; M188-T198 WeakPolarHBondContact CA-O 3.28Å; M188-T199 HydrophobicContact CG-CG2 4.4Å; M188-I465 HydrophobicContact CE-CD1 3.07Å; M188-I465 HydrophobicContact CE-CG1 3.31Å
189	E	83.1	Confident	82	Confident	65 Å²	65	50 Å²	50	30%	0.304	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	113	168.9	-172	-169.1	162.2	0	0	108.8	R174 F176 V197 T198	R174-E189 IonicContact CZ-OE1 3.91Å; R174-E189 IonicContact NE-OE1 2.67Å; R174-E189 IonicContact NH1-OE1 3.54Å; R174-E189 PolarHBondContact NH1-OE1 3.25Å; F176-E189 HydrophobicContact CD1-CB 4.37Å; F176-E189 HydrophobicContact CD1-CG 4.14Å; F176-E189 HydrophobicContact CE1-CB 4.28Å; F176-E189 HydrophobicContact CE1-CG 3.69Å; F176-E189 HydrophobicContact CZ-CG 4.32Å; E189-V197 WeakPolarHBondContact O-CA 3.41Å; E189-T198 PolarHBondContact N-O 2.82Å; E189-T198 PolarHBondContact O-N 3.24Å
190	V	87	Confident	81.4	Confident	2 Å²	2	51 Å²	51	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114.5	178.9	-178	0	0	0	0	109.2	R174 S175 I177 H192 V197 Y469	R174-V190 WeakPolarHBondContact CA-O 3.28Å; S175-V190 PolarHBondContact N-O 2.91Å; S175-V190 PolarHBondContact O-N 2.99Å; I177-V190 HydrophobicContact CD1-CG2 3.99Å; V190-H192 VanDerWaalsContact CG1-CE1 3.43Å; V190-H192 WeakPolarHBondContact CG1-CE1 3.45Å; V190-V197 HydrophobicContact CB-CG2 4.31Å; V190-V197 HydrophobicContact CG1-CG2 4.04Å; V190-V197 HydrophobicContact CG2-CG1 3.98Å; V190-V197 HydrophobicContact CG2-CG2 3.95Å; V190-Y469 HydrophobicContact CG1-CD2 3.79Å; V190-Y469 HydrophobicContact CG1-CE2 3.59Å
191	N	88.1	Confident	81.3	Confident	10 Å²	10	55.8 Å²	55.8	5%	0.053	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	105.1	168.8	-177.9	-11	0	0	0	109.7	R174 D193 D194 K195 V196	R174-N191 VanDerWaalsContact CZ-CG 3.4Å; R174-N191 VanDerWaalsContact CZ-ND2 3.26Å; R174-N191 PolarHBondContact NH2-ND2 2.88Å; N191-D193 VanDerWaalsContact C-N 3.3Å; N191-D193 PolarHBondContact O-N 3.05Å; N191-D193 PolarHBondContact OD1-N 3.48Å; N191-D194 PolarHBondContact ND2-OD2 3.15Å; N191-D194 PolarHBondContact OD1-N 3.03Å; N191-D194 VanDerWaalsContact OD1-N 3.14Å; N191-K195 CarbonylContact O-C 3.55Å; N191-K195 WeakPolarHBondContact O-CA 3.36Å; N191-K195 PolarHBondContact O-N 2.81Å; N191-V196 WeakPolarHBondContact CB-O 3.35Å; N191-V196 PolarHBondContact N-O 2.93Å; N191-V196 PolarHBondContact O-N 2.87Å; N191-V196 VanDerWaalsContact O-N 3.14Å
192	H	90.6	Very high	81.1	Confident	30 Å²	30	52.5 Å²	52.5	14%	0.139	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-17.6	-178.6	-67.6	-68	0	0	0	114.2	R173 S175 V190 Y469	R173-H192 HydrophobicContact CB-CB 3.84Å; R173-H192 WeakPolarHBondContact O-CB 3.29Å; R173-H192 PolarHBondContact O-N 2.8Å; S175-H192 WeakPolarHBondContact CB-NE2 3.07Å; S175-H192 PolarHBondContact OG-NE2 2.87Å; V190-H192 VanDerWaalsContact CG1-CE1 3.43Å; V190-H192 WeakPolarHBondContact CG1-CE1 3.45Å; H192-Y469 AromaticContact ND1-CE2 3.44Å; H192-Y469 WeakPolarHBondContact ND1-CE2 3.42Å; H192-Y469 AromaticContact ND1-CZ 3.5Å; H192-Y469 PolarHBondContact ND1-OH 2.68Å
193	D	89.1	Confident	81.2	Confident	79 Å²	79	47.7 Å²	47.7	42%	0.422	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-42.6	-178.6	-60.7	-35.8	0	0	0	110.3	G172 R173 N191	G172-D193 VanDerWaalsContact CA-OD2 3.29Å; G172-D193 WeakPolarHBondContact CA-OD2 3.04Å; R173-D193 IonicContact CZ-OD1 3.69Å; R173-D193 PolarHBondContact N-OD2 3.3Å; R173-D193 IonicContact NE-OD1 3.34Å; R173-D193 PolarHBondContact NE-OD1 2.74Å; R173-D193 IonicContact NH2-OD1 3.34Å; R173-D193 PolarHBondContact NH2-OD1 2.87Å; N191-D193 VanDerWaalsContact C-N 3.3Å; N191-D193 PolarHBondContact O-N 3.05Å; N191-D193 PolarHBondContact OD1-N 3.48Å
194	D	89.7	Confident	81.2	Confident	113 Å²	113	43 Å²	43	60%	0.604	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-8.8	175.1	-59.9	-43.8	0	0	0	113.5	N191 V196	N191-D194 PolarHBondContact ND2-OD2 3.15Å; N191-D194 PolarHBondContact OD1-N 3.03Å; N191-D194 VanDerWaalsContact OD1-N 3.14Å; D194-V196 HydrophobicContact CB-CG2 3.99Å; D194-V196 PolarHBondContact O-N 3.26Å
195	K	91.6	Very high	80.9	Confident	106 Å²	106	43.3 Å²	43.3	46%	0.461	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	38.3	-172.5	-54.7	-178.8	-179.6	-178.8	0	113	N191 Y469 Y470	N191-K195 CarbonylContact O-C 3.55Å; N191-K195 WeakPolarHBondContact O-CA 3.36Å; N191-K195 PolarHBondContact O-N 2.81Å; K195-Y469 HydrophobicContact CB-CD1 4.03Å; K195-Y469 HydrophobicContact CB-CD2 4.02Å; K195-Y469 HydrophobicContact CB-CE1 4.18Å; K195-Y469 HydrophobicContact CB-CE2 4.19Å; K195-Y469 HydrophobicContact CB-CG 3.93Å; K195-Y469 HydrophobicContact CD-CD1 4.48Å; K195-Y469 HydrophobicContact CD-CE1 4.26Å; K195-Y469 HydrophobicContact CG-CD1 4.29Å; K195-Y469 HydrophobicContact CG-CE1 3.98Å; K195-Y469 HydrophobicContact CG-CE2 4.39Å; K195-Y469 CarbonylContact O-C 3.53Å; K195-Y469 VanDerWaalsContact O-CA 3.31Å; K195-Y469 WeakPolarHBondContact O-CA 3.44Å; K195-Y469 WeakPolarHBondContact O-CB 2.86Å; K195-Y470 PolarHBondContact O-N 2.75Å
196	V	89.4	Confident	80.6	Confident	36 Å²	36	46.9 Å²	46.9	22%	0.218	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138.4	177.7	178.8	0	0	0	0	108.9	N191 D194 Y470 Q472	N191-V196 WeakPolarHBondContact CB-O 3.35Å; N191-V196 PolarHBondContact N-O 2.93Å; N191-V196 PolarHBondContact O-N 2.87Å; N191-V196 VanDerWaalsContact O-N 3.14Å; D194-V196 HydrophobicContact CB-CG2 3.99Å; D194-V196 PolarHBondContact O-N 3.26Å; V196-Y470 CarbonylContact C-O 3.58Å; V196-Y470 WeakPolarHBondContact CA-O 3.39Å; V196-Q472 HydrophobicContact CG1-CB 4.2Å
197	V	88	Confident	80	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.1	171.7	-174	0	0	0	0	109.2	M188 E189 V190 I465 Y469 Y470 V471 Q472	M188-V197 HydrophobicContact CB-CG1 4.22Å; M188-V197 HydrophobicContact CE-CG1 4.36Å; E189-V197 WeakPolarHBondContact O-CA 3.41Å; V190-V197 HydrophobicContact CB-CG2 4.31Å; V190-V197 HydrophobicContact CG1-CG2 4.04Å; V190-V197 HydrophobicContact CG2-CG1 3.98Å; V190-V197 HydrophobicContact CG2-CG2 3.95Å; V197-I465 HydrophobicContact CB-CD1 4.33Å; V197-I465 HydrophobicContact CG1-CD1 3.93Å; V197-I465 HydrophobicContact CG1-CG1 4.23Å; V197-I465 HydrophobicContact CG2-CD1 4.32Å; V197-I465 HydrophobicContact CG2-CG1 4.19Å; V197-I465 HydrophobicContact CG2-CG2 3.66Å; V197-Y469 HydrophobicContact CG2-CD2 4.02Å; V197-Y470 PolarHBondContact N-O 2.87Å; V197-V471 HydrophobicContact CB-CG2 4.44Å; V197-Q472 PolarHBondContact O-N 2.94Å
198	T	83.6	Confident	79.5	Confident	34 Å²	34	48 Å²	48	21%	0.209	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.2	168.1	-51.8	0	0	0	0	107.4	M188 E189	M188-T198 CarbonylContact C-O 3.56Å; M188-T198 WeakPolarHBondContact CA-O 3.28Å; E189-T198 PolarHBondContact N-O 2.82Å; E189-T198 PolarHBondContact O-N 3.24Å
199	T	80.6	Confident	79.1	Confident	19 Å²	19	56 Å²	56	12%	0.117	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.7	179.6	-62.3	0	0	0	0	109.8	E186 M188	E186-T199 HydrophobicContact CG-CG2 3.69Å; E186-T199 WeakPolarHBondContact OE1-CG2 3.33Å; M188-T199 HydrophobicContact CG-CG2 4.4Å
200	E	71.3	Confident	78.7	Confident	47 Å²	47	58.9 Å²	58.9	22%	0.22	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124	172.7	-63.6	-172.1	169.7	0	0	109.3	E186 L187 F202	E186-E200 CarbonylContact C-O 3.59Å; E186-E200 VanDerWaalsContact CA-O 3.28Å; E186-E200 WeakPolarHBondContact CA-O 3.48Å; L187-E200 PolarHBondContact N-O 2.71Å; L187-E200 PolarHBondContact O-N 2.99Å; E200-F202 HydrophobicContact CB-CE2 3.85Å; E200-F202 HydrophobicContact CB-CZ 3.78Å; E200-F202 WeakPolarHBondContact OE2-CZ 3.5Å
201	H	74.8	Confident	78.2	Confident	109 Å²	109	59.9 Å²	59.9	51%	0.505	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.7	-178.3	-164.8	87.8	0	0	0	110.2	W184	W184-H201 AromaticContact CD2-CE1 3.38Å; W184-H201 AromaticContact CD2-NE2 3.9Å; W184-H201 AromaticContact CE3-CE1 3.05Å; W184-H201 AromaticContact CE3-ND1 3.55Å; W184-H201 AromaticContact CE3-NE2 3.9Å; W184-H201 AromaticContact CG-CE1 3.91Å; W184-H201 AromaticContact CG-NE2 3.94Å; W184-H201 AromaticContact CZ3-CE1 3.58Å; W184-H201 AromaticContact CZ3-ND1 3.84Å
202	F	70.1	Confident	77.9	Confident	43 Å²	43	62.5 Å²	62.5	19%	0.189	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	103.1	-175.5	-54.5	-84.2	0	0	0	109.2	W184 A185 L187 E200 L204 E207	W184-F202 CarbonylContact C-O 3.57Å; W184-F202 WeakPolarHBondContact CA-O 3.27Å; W184-F202 WeakPolarHBondContact CB-O 3.4Å; A185-F202 HydrophobicContact CB-CB 4.33Å; A185-F202 HydrophobicContact CB-CD2 4.38Å; A185-F202 PolarHBondContact N-O 3.5Å; A185-F202 WeakPolarHBondContact O-CB 3.33Å; A185-F202 WeakPolarHBondContact O-CD2 3.46Å; A185-F202 PolarHBondContact O-N 2.9Å; L187-F202 HydrophobicContact CB-CE2 3.78Å; E200-F202 HydrophobicContact CB-CE2 3.85Å; E200-F202 HydrophobicContact CB-CZ 3.78Å; E200-F202 WeakPolarHBondContact OE2-CZ 3.5Å; F202-L204 PolarHBondContact O-N 2.91Å; F202-E207 WeakPolarHBondContact CB-OE2 3.31Å; F202-E207 WeakPolarHBondContact CD1-OE1 3.3Å; F202-E207 WeakPolarHBondContact CD1-OE2 3.43Å
203	D	71.6	Confident	77.6	Confident	44 Å²	44	63.3 Å²	63.3	24%	0.235	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	99.7	164.8	-178.4	-24	0	0	0	107.8	S205 Q206 E207	D203-S205 PolarHBondContact O-N 3.41Å; D203-S205 VanDerWaalsContact O-N 3.13Å; D203-S205 PolarHBondContact OD1-N 2.57Å; D203-S205 PolarHBondContact OD1-OG 3.4Å; D203-Q206 HydrophobicContact CB-CB 4.18Å; D203-Q206 HydrophobicContact CB-CG 4.46Å; D203-Q206 PolarHBondContact O-N 2.56Å; D203-Q206 PolarHBondContact OD1-N 3.34Å; D203-Q206 VanDerWaalsContact OD2-CD 3.26Å; D203-Q206 WeakPolarHBondContact OD2-CG 3.42Å; D203-Q206 PolarHBondContact OD2-NE2 3.12Å; D203-E207 WeakPolarHBondContact O-CB 3.28Å; D203-E207 VanDerWaalsContact O-CG 3.31Å; D203-E207 WeakPolarHBondContact O-CG 3.4Å; D203-E207 PolarHBondContact O-N 2.88Å
204	L	67.5	Low	77.4	Confident	16 Å²	16	65.2 Å²	65.2	8%	0.084	33%	0.327	C	S	.	.	H	α-helix	trans	-57.4	-34	-170.9	-66.4	166.8	0	0	0	112.1	L106 V109 P110 L113 N183 F202 M208	L106-L204 HydrophobicContact CD2-CD2 4.42Å; V109-L204 HydrophobicContact CB-CD2 3.93Å; V109-L204 HydrophobicContact CG1-CD1 3.91Å; V109-L204 HydrophobicContact CG1-CD2 3.67Å; V109-L204 HydrophobicContact CG1-CG 4.45Å; V109-L204 HydrophobicContact CG2-CD2 4.5Å; P110-L204 HydrophobicContact CG-CD1 4.37Å; L113-L204 HydrophobicContact CD1-CD1 3.98Å; N183-L204 PolarHBondContact O-N 3.02Å; F202-L204 PolarHBondContact O-N 2.91Å; L204-M208 WeakPolarHBondContact O-CB 3.33Å; L204-M208 PolarHBondContact O-N 3.25Å
205	S	68.9	Low	77	Confident	67 Å²	67	65.6 Å²	65.6	47%	0.469	33%	0.328	S	S	.	.	H	α-helix	trans	-72.8	-46.7	-179.7	69.5	0	0	0	0	112.1	D203 E209	D203-S205 PolarHBondContact O-N 3.41Å; D203-S205 VanDerWaalsContact O-N 3.13Å; D203-S205 PolarHBondContact OD1-N 2.57Å; D203-S205 PolarHBondContact OD1-OG 3.4Å; S205-E209 PolarHBondContact O-N 2.78Å
206	Q	69	Low	76.5	Confident	77 Å²	77	62 Å²	62	36%	0.36	31%	0.314	S	S	.	.	H	α-helix	trans	-73.2	-31.3	178.8	-69.8	-175	42.3	0	0	112.8	D203 R210	D203-Q206 HydrophobicContact CB-CB 4.18Å; D203-Q206 HydrophobicContact CB-CG 4.46Å; D203-Q206 PolarHBondContact O-N 2.56Å; D203-Q206 PolarHBondContact OD1-N 3.34Å; D203-Q206 VanDerWaalsContact OD2-CD 3.26Å; D203-Q206 WeakPolarHBondContact OD2-CG 3.42Å; D203-Q206 PolarHBondContact OD2-NE2 3.12Å; Q206-R210 WeakPolarHBondContact O-CB 3.34Å; Q206-R210 VanDerWaalsContact O-CG 3.28Å; Q206-R210 WeakPolarHBondContact O-CG 3.49Å; Q206-R210 PolarHBondContact O-N 2.84Å; Q206-R210 VanDerWaalsContact O-N 3.14Å; Q206-R210 VanDerWaalsContact OE1-NH2 3.08Å
207	E	67.3	Low	76.3	Confident	40 Å²	40	66.9 Å²	66.9	19%	0.187	33%	0.332	C	S	.	.	H	α-helix	trans	-69.8	-41.2	178.7	-76.2	-173.2	162.4	0	0	111.8	L106 F202 D203 E209 R210 L211	L106-E207 HydrophobicContact CD1-CB 4.26Å; L106-E207 HydrophobicContact CD2-CB 4.48Å; L106-E207 WeakPolarHBondContact CD2-OE2 3.31Å; F202-E207 WeakPolarHBondContact CB-OE2 3.31Å; F202-E207 WeakPolarHBondContact CD1-OE1 3.3Å; F202-E207 WeakPolarHBondContact CD1-OE2 3.43Å; D203-E207 WeakPolarHBondContact O-CB 3.28Å; D203-E207 VanDerWaalsContact O-CG 3.31Å; D203-E207 WeakPolarHBondContact O-CG 3.4Å; D203-E207 PolarHBondContact O-N 2.88Å; E207-E209 VanDerWaalsContact C-N 3.32Å; E207-E209 PolarHBondContact O-N 2.72Å; E207-R210 PolarHBondContact O-N 3.12Å; E207-L211 WeakPolarHBondContact O-CB 3.38Å; E207-L211 PolarHBondContact O-N 3.06Å
208	M	68.2	Low	76.3	Confident	67 Å²	67	67.3 Å²	67.3	33%	0.33	34%	0.335	S	S	.	.	H	α-helix	trans	-59.1	-42.8	173.8	-166.6	64.2	66.9	0	0	111.9	L106 E107 L204 R210	L106-M208 HydrophobicContact CB-CE 3.58Å; E107-M208 HydrophobicContact CB-CE 4.12Å; E107-M208 HydrophobicContact CG-CE 3.46Å; E107-M208 VanDerWaalsContact CG-CE 3.46Å; E107-M208 HydrophobicContact CG-SD 3.94Å; L204-M208 WeakPolarHBondContact O-CB 3.33Å; L204-M208 PolarHBondContact O-N 3.25Å; M208-R210 PolarHBondContact O-N 2.75Å
209	E	71.4	Confident	76.4	Confident	171 Å²	171	70.7 Å²	70.7	80%	0.799	35%	0.346	S	S	*	.	H	α-helix	trans	-69.9	-29.8	179.5	-72.8	-174.9	173.4	0	0	113.6	S205 E207	S205-E209 PolarHBondContact O-N 2.78Å; E207-E209 VanDerWaalsContact C-N 3.32Å; E207-E209 PolarHBondContact O-N 2.72Å
210	R	74.1	Confident	76.8	Confident	126 Å²	126	74.6 Å²	74.6	48%	0.475	37%	0.374	S	S	.	.	H	α-helix	trans	-88.2	-19.7	-178.5	-72.7	176	178.3	148.1	5.4	113.4	Q206 E207 M208 T212 L215 R476	Q206-R210 WeakPolarHBondContact O-CB 3.34Å; Q206-R210 VanDerWaalsContact O-CG 3.28Å; Q206-R210 WeakPolarHBondContact O-CG 3.49Å; Q206-R210 PolarHBondContact O-N 2.84Å; Q206-R210 VanDerWaalsContact O-N 3.14Å; Q206-R210 VanDerWaalsContact OE1-NH2 3.08Å; E207-R210 PolarHBondContact O-N 3.12Å; M208-R210 PolarHBondContact O-N 2.75Å; R210-T212 PolarHBondContact O-N 3.47Å; R210-T212 VanDerWaalsContact O-N 3.11Å; R210-L215 VanDerWaalsContact O-CD1 3.25Å; R210-L215 WeakPolarHBondContact O-CD1 3.23Å; R210-R476 VanDerWaalsContact NH1-NH2 3.1Å
211	L	77.9	Confident	77.5	Confident	24 Å²	24	82 Å²	82	13%	0.126	40%	0.4	C	S	.	.			trans	-63.3	112.3	-179.2	-168.8	78.9	0	0	0	109.8	Y99 T102 L106 E207 M216	Y99-L211 HydrophobicContact CD2-CD2 4.29Å; Y99-L211 HydrophobicContact CD2-CG 4.16Å; Y99-L211 HydrophobicContact CE2-CD2 3.93Å; Y99-L211 HydrophobicContact CE2-CG 3.82Å; T102-L211 HydrophobicContact CG2-CD1 3.57Å; T102-L211 HydrophobicContact CG2-CD2 4.45Å; L106-L211 HydrophobicContact CD1-CD1 4.44Å; L106-L211 HydrophobicContact CD1-CD2 4.4Å; E207-L211 WeakPolarHBondContact O-CB 3.38Å; E207-L211 PolarHBondContact O-N 3.06Å; L211-M216 HydrophobicContact CD1-CE 3.54Å
212	T	81.8	Confident	77.9	Confident	64 Å²	64	77.8 Å²	77.8	39%	0.393	38%	0.381	S	S	.	.			trans	-130.7	149.9	176	55.8	0	0	0	0	109.7	R210 D214 L215	R210-T212 PolarHBondContact O-N 3.47Å; R210-T212 VanDerWaalsContact O-N 3.11Å; T212-D214 PolarHBondContact O-N 3.31Å; T212-L215 WeakPolarHBondContact O-CB 3.39Å; T212-L215 PolarHBondContact O-N 3.37Å; T212-L215 VanDerWaalsContact O-N 3.08Å; T212-L215 WeakPolarHBondContact OG1-CD1 3.49Å; T212-L215 WeakPolarHBondContact OG1-CG 3.32Å
213	L	84.1	Confident	78.9	Confident	47 Å²	47	76.2 Å²	76.2	25%	0.246	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-56.3	-34.7	178.5	-174.3	69	0	0	0	112.2	Q95 H96 Y99 L215 M216	Q95-L213 HydrophobicContact CG-CD1 3.64Å; Q95-L213 HydrophobicContact CG-CG 4.02Å; Q95-L213 PolarHBondContact NE2-O 2.67Å; H96-L213 WeakPolarHBondContact CE1-CD2 3.46Å; H96-L213 WeakPolarHBondContact NE2-CD2 3.45Å; Y99-L213 HydrophobicContact CD1-CD1 4.28Å; Y99-L213 HydrophobicContact CD2-CB 4.3Å; Y99-L213 HydrophobicContact CD2-CD1 4.38Å; Y99-L213 HydrophobicContact CG-CD1 3.85Å; L213-L215 PolarHBondContact O-N 3.14Å; L213-M216 PolarHBondContact O-N 2.86Å
214	D	83.6	Confident	79.7	Confident	119 Å²	119	80.2 Å²	80.2	64%	0.636	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-65.9	-20.4	-179.5	-71.9	-29	0	0	0	113.8	T212 K217	T212-D214 PolarHBondContact O-N 3.31Å; D214-K217 VanDerWaalsContact O-CE 3.24Å; D214-K217 WeakPolarHBondContact O-CE 3.38Å; D214-K217 WeakPolarHBondContact O-CG 3.18Å
215	L	81.4	Confident	80.6	Confident	121 Å²	121	83.4 Å²	83.4	63%	0.634	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-79.9	-23.9	174.1	-66.1	171.4	0	0	0	112	R210 T212 L213 K217	R210-L215 VanDerWaalsContact O-CD1 3.25Å; R210-L215 WeakPolarHBondContact O-CD1 3.23Å; T212-L215 WeakPolarHBondContact O-CB 3.39Å; T212-L215 PolarHBondContact O-N 3.37Å; T212-L215 VanDerWaalsContact O-N 3.08Å; T212-L215 WeakPolarHBondContact OG1-CD1 3.49Å; T212-L215 WeakPolarHBondContact OG1-CG 3.32Å; L213-L215 PolarHBondContact O-N 3.14Å; L215-K217 PolarHBondContact O-N 3.29Å; L215-K217 VanDerWaalsContact O-N 3.17Å
216	M	82.1	Confident	81.5	Confident	32 Å²	32	82.4 Å²	82.4	16%	0.158	39%	0.389	C	S	.	.			trans	-90.5	66.3	-177.8	-64.2	-59.8	-176.1	0	0	111	Q95 Y99 T102 L211 L213 P218	Q95-M216 WeakPolarHBondContact CB-O 3.17Å; Q95-M216 WeakPolarHBondContact CG-O 3.42Å; Q95-M216 PolarHBondContact NE2-O 3.25Å; Q95-M216 VanDerWaalsContact NE2-O 3.14Å; Y99-M216 HydrophobicContact CD2-CG 4.31Å; T102-M216 HydrophobicContact CG2-CE 3.62Å; T102-M216 VanDerWaalsContact OG1-CE 3.23Å; T102-M216 WeakPolarHBondContact OG1-CE 3.18Å; L211-M216 HydrophobicContact CD1-CE 3.54Å; L213-M216 PolarHBondContact O-N 2.86Å; M216-P218 WeakPolarHBondContact O-CD 3.39Å
217	K	85.3	Confident	82.6	Confident	137 Å²	137	80.2 Å²	80.2	60%	0.596	38%	0.38	S	S	*	.			trans	-95.4	113.3	178.8	-70.1	-176.7	-179.9	175	0	110.8	Y91 D214 L215	Y91-K217 WeakPolarHBondContact OH-CG 3.43Å; D214-K217 VanDerWaalsContact O-CE 3.24Å; D214-K217 WeakPolarHBondContact O-CE 3.38Å; D214-K217 WeakPolarHBondContact O-CG 3.18Å; L215-K217 PolarHBondContact O-N 3.29Å; L215-K217 VanDerWaalsContact O-N 3.17Å
218	P	86.9	Confident	83.6	Confident	10 Å²	10	81 Å²	81	7%	0.065	39%	0.387	C	S	.	.			trans	-59.8	145.2	174.4	-24	32.9	0	0	0	111.9	Y91 L94 Q95 M216 V223	Y91-P218 HydrophobicContact CD2-CB 4.15Å; Y91-P218 HydrophobicContact CD2-CG 4.2Å; Y91-P218 HydrophobicContact CE2-CB 4.18Å; Y91-P218 HydrophobicContact CE2-CG 4.2Å; L94-P218 HydrophobicContact CB-CG 4.08Å; L94-P218 HydrophobicContact CD2-CB 3.76Å; L94-P218 HydrophobicContact CD2-CG 4.02Å; L94-P218 HydrophobicContact CG-CB 4.22Å; L94-P218 HydrophobicContact CG-CG 3.93Å; Q95-P218 HydrophobicContact CB-CG 3.99Å; M216-P218 WeakPolarHBondContact O-CD 3.39Å; P218-V223 HydrophobicContact CB-CG2 4.14Å
219	K	86.5	Confident	84.5	Confident	104 Å²	104	80 Å²	80	45%	0.452	39%	0.386	S	S	.	.			trans	-72.9	140.1	175.3	-66.1	173.8	-175.8	167.6	0	109.4	R221 E222 V223 H479	K219-R221 VanDerWaalsContact C-N 3.29Å; K219-R221 PolarHBondContact O-N 3.2Å; K219-E222 HydrophobicContact CB-CB 4.2Å; K219-E222 VanDerWaalsContact O-CB 3.31Å; K219-E222 WeakPolarHBondContact O-CB 3.25Å; K219-E222 PolarHBondContact O-N 2.89Å; K219-V223 PolarHBondContact O-N 3.1Å; K219-H479 PolarHBondContact NZ-CE1 3.42Å; K219-H479 PolarHBondContact NZ-NE2 2.96Å
220	S	88.3	Confident	85.2	Confident	101 Å²	101	73 Å²	73	71%	0.706	36%	0.356	S	S	*	.	H	α-helix	trans	-58.6	-39.7	-179.5	-54.6	0	0	0	0	113.1	E222 V223 E224	S220-E222 PolarHBondContact O-N 3.4Å; S220-V223 PolarHBondContact O-N 2.98Å; S220-E224 WeakPolarHBondContact O-CB 3.37Å; S220-E224 PolarHBondContact O-N 3.12Å
221	R	86.3	Confident	85.8	Confident	202 Å²	202	67.4 Å²	67.4	76%	0.762	34%	0.336	S	S	*	.	H	α-helix	trans	-59.5	-34.9	176.3	-176.3	-179.2	179.5	-168	-1.1	112.5	K219 R225	K219-R221 VanDerWaalsContact C-N 3.29Å; K219-R221 PolarHBondContact O-N 3.2Å; R221-R225 VanDerWaalsContact O-CB 3.31Å; R221-R225 WeakPolarHBondContact O-CB 3.39Å; R221-R225 PolarHBondContact O-N 2.91Å
222	E	84.3	Confident	86	Confident	22 Å²	22	68.5 Å²	68.5	10%	0.103	34%	0.342	C	S	.	.	H	α-helix	trans	-71.3	-41.6	-179	176.5	-177.3	-177.6	0	0	111.5	L94 K219 S220 R226	L94-E222 HydrophobicContact CD2-CG 4.34Å; K219-E222 HydrophobicContact CB-CB 4.2Å; K219-E222 VanDerWaalsContact O-CB 3.31Å; K219-E222 WeakPolarHBondContact O-CB 3.25Å; K219-E222 PolarHBondContact O-N 2.89Å; S220-E222 PolarHBondContact O-N 3.4Å; E222-R226 VanDerWaalsContact CD-NH1 3.3Å; E222-R226 PolarHBondContact O-N 2.7Å; E222-R226 IonicContact OE1-CZ 3.32Å; E222-R226 IonicContact OE1-NH1 3.18Å; E222-R226 PolarHBondContact OE1-NH1 2.78Å; E222-R226 IonicContact OE1-NH2 2.69Å
223	V	89.6	Confident	86	Confident	10 Å²	10	66.3 Å²	66.3	6%	0.061	33%	0.327	C	S	.	.	H	α-helix	trans	-63.7	-46.9	173.6	176.2	0	0	0	0	110.4	P87 V90 Y91 L94 P218 K219 S220 R225 R226 L227	P87-V223 HydrophobicContact CB-CG1 4.27Å; V90-V223 HydrophobicContact CB-CG1 4.14Å; V90-V223 HydrophobicContact CG1-CG1 3.92Å; Y91-V223 HydrophobicContact CD2-CG2 4.24Å; L94-V223 HydrophobicContact CD2-CG2 4.32Å; P218-V223 HydrophobicContact CB-CG2 4.14Å; K219-V223 PolarHBondContact O-N 3.1Å; S220-V223 PolarHBondContact O-N 2.98Å; V223-R225 PolarHBondContact O-N 3Å; V223-R226 PolarHBondContact O-N 3.44Å; V223-L227 HydrophobicContact CG1-CD1 4.09Å; V223-L227 WeakPolarHBondContact O-CG 3.41Å; V223-L227 PolarHBondContact O-N 3.31Å; V223-L227 VanDerWaalsContact O-N 3.08Å
224	E	89.4	Confident	85.6	Confident	127 Å²	127	66.2 Å²	66.2	59%	0.593	33%	0.329	S	S	*	.	H	α-helix	trans	-59.7	-46.6	177.5	-176.4	179.4	-170	0	0	112	S220 R226 L227 T228	S220-E224 WeakPolarHBondContact O-CB 3.37Å; S220-E224 PolarHBondContact O-N 3.12Å; E224-R226 VanDerWaalsContact C-N 3.3Å; E224-R226 PolarHBondContact O-N 2.98Å; E224-L227 PolarHBondContact O-N 3.08Å; E224-L227 VanDerWaalsContact O-N 3.13Å; E224-T228 HydrophobicContact CG-CG2 4.4Å; E224-T228 WeakPolarHBondContact O-CG2 3.05Å; E224-T228 PolarHBondContact O-N 2.99Å; E224-T228 PolarHBondContact O-OG1 3.22Å
225	R	86.1	Confident	84.9	Confident	83 Å²	83	62.6 Å²	62.6	31%	0.313	31%	0.313	S	S	.	.	H	α-helix	trans	-57.3	-43.2	176.5	-175.1	-172.7	60.3	-154.9	-9.8	111.7	R221 V223 L227 T228 S229 E486	R221-R225 VanDerWaalsContact O-CB 3.31Å; R221-R225 WeakPolarHBondContact O-CB 3.39Å; R221-R225 PolarHBondContact O-N 2.91Å; V223-R225 PolarHBondContact O-N 3Å; R225-L227 VanDerWaalsContact C-N 3.33Å; R225-L227 PolarHBondContact O-N 2.94Å; R225-T228 WeakPolarHBondContact CA-OG1 3.45Å; R225-T228 PolarHBondContact O-N 2.93Å; R225-T228 PolarHBondContact O-OG1 3.14Å; R225-T228 VanDerWaalsContact O-OG1 3.12Å; R225-S229 WeakPolarHBondContact O-CB 3.39Å; R225-S229 PolarHBondContact O-N 2.84Å; R225-S229 PolarHBondContact O-OG 2.9Å; R225-E486 IonicContact CZ-OE1 3.48Å; R225-E486 IonicContact CZ-OE2 2.68Å; R225-E486 IonicContact NE-OE1 3.55Å; R225-E486 IonicContact NE-OE2 3.68Å; R225-E486 VanDerWaalsContact NH1-CD 3.28Å; R225-E486 IonicContact NH1-OE1 3.33Å; R225-E486 PolarHBondContact NH1-OE1 3.33Å; R225-E486 IonicContact NH1-OE2 3.95Å; R225-E486 PolarHBondContact NH1-OE2 2.78Å; R225-E486 VanDerWaalsContact NH2-CD 3.35Å; R225-E486 IonicContact NH2-OE1 2.89Å; R225-E486 PolarHBondContact NH2-OE1 2.87Å; R225-E486 IonicContact NH2-OE2 3.07Å; R225-E486 PolarHBondContact NH2-OE2 2.92Å
226	R	88.1	Confident	84.5	Confident	47 Å²	47	59.7 Å²	59.7	18%	0.177	30%	0.297	C	S	.	.	H	α-helix	trans	-64.9	-36.2	177.7	-77.7	-174.6	169.9	83.3	-5.7	112.6	V82 E222 V223 E224 T228	V82-R226 WeakPolarHBondContact CG1-O 3.45Å; V82-R226 HydrophobicContact CG2-CB 4.14Å; E222-R226 VanDerWaalsContact CD-NH1 3.3Å; E222-R226 PolarHBondContact O-N 2.7Å; E222-R226 IonicContact OE1-CZ 3.32Å; E222-R226 IonicContact OE1-NH1 3.18Å; E222-R226 PolarHBondContact OE1-NH1 2.78Å; E222-R226 IonicContact OE1-NH2 2.69Å; V223-R226 PolarHBondContact O-N 3.44Å; E224-R226 VanDerWaalsContact C-N 3.3Å; E224-R226 PolarHBondContact O-N 2.98Å; R226-T228 VanDerWaalsContact C-N 3.34Å
227	L	91	Very high	84.2	Confident	31 Å²	31	59.6 Å²	59.6	16%	0.162	30%	0.298	C	S	.	.	H	α-helix	trans	-72.8	-26.3	177.1	-70.6	168.5	0	0	0	113.4	P87 V90 V223 E224 R225 H284 L285	P87-L227 HydrophobicContact CB-CD1 3.8Å; V90-L227 HydrophobicContact CG2-CD2 3.97Å; V223-L227 HydrophobicContact CG1-CD1 4.09Å; V223-L227 WeakPolarHBondContact O-CG 3.41Å; V223-L227 PolarHBondContact O-N 3.31Å; V223-L227 VanDerWaalsContact O-N 3.08Å; E224-L227 PolarHBondContact O-N 3.08Å; E224-L227 VanDerWaalsContact O-N 3.13Å; R225-L227 VanDerWaalsContact C-N 3.33Å; R225-L227 PolarHBondContact O-N 2.94Å; L227-H284 PolarHBondContact O-CD2 3.23Å; L227-L285 WeakPolarHBondContact O-CD2 3.38Å
228	T	89.5	Confident	83.6	Confident	56 Å²	56	56.3 Å²	56.3	34%	0.344	29%	0.289	S	S	.	.	H	α-helix	trans	-97.3	-2.3	-179.3	55.5	0	0	0	0	113.4	E224 R225 R226 L285 E289	E224-T228 HydrophobicContact CG-CG2 4.4Å; E224-T228 WeakPolarHBondContact O-CG2 3.05Å; E224-T228 PolarHBondContact O-N 2.99Å; E224-T228 PolarHBondContact O-OG1 3.22Å; R225-T228 WeakPolarHBondContact CA-OG1 3.45Å; R225-T228 PolarHBondContact O-N 2.93Å; R225-T228 PolarHBondContact O-OG1 3.14Å; R225-T228 VanDerWaalsContact O-OG1 3.12Å; R226-T228 VanDerWaalsContact C-N 3.34Å; T228-L285 VanDerWaalsContact C-CD2 3.43Å; T228-L285 WeakPolarHBondContact O-CD2 3.48Å; T228-E289 VanDerWaalsContact CG2-OE1 3.32Å; T228-E289 WeakPolarHBondContact CG2-OE1 3.46Å
229	S	86.4	Confident	82.9	Confident	45 Å²	45	64.5 Å²	64.5	32%	0.315	32%	0.324	S	S	.	.	S	Bend	trans	-114.3	150.7	-178.9	-59.7	0	0	0	0	111.4	R225 H284	R225-S229 WeakPolarHBondContact O-CB 3.39Å; R225-S229 PolarHBondContact O-N 2.84Å; R225-S229 PolarHBondContact O-OG 2.9Å; S229-H284 PolarHBondContact O-CE1 3.34Å; S229-H284 PolarHBondContact O-NE2 3.17Å
230	P	86.1	Confident	82.4	Confident	25 Å²	25	64.2 Å²	64.2	16%	0.162	33%	0.327	C	S	.	.			trans	-62.9	146.2	176.7	27.4	-36.1	0	0	0	111.4	I232 I280 T282 L285 Y293	P230-I232 HydrophobicContact CB-CG1 4.32Å; P230-I232 HydrophobicContact CG-CD1 4.12Å; P230-I232 HydrophobicContact CG-CG1 4.24Å; P230-I232 PolarHBondContact O-N 2.77Å; P230-I280 HydrophobicContact CB-CG2 3.92Å; P230-T282 HydrophobicContact CB-CG2 4.14Å; P230-L285 HydrophobicContact CB-CD1 4.25Å; P230-Y293 HydrophobicContact CG-CD2 3.78Å; P230-Y293 HydrophobicContact CG-CE1 4.47Å; P230-Y293 HydrophobicContact CG-CE2 3.68Å; P230-Y293 HydrophobicContact CG-CG 4.24Å
231	V	87.3	Confident	82.1	Confident	8 Å²	8	60.8 Å²	60.8	5%	0.048	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	113.4	172.7	175.6	0	0	0	0	108	W75 H79 V82 I280 R281	W75-V231 HydrophobicContact CE3-CG1 4.24Å; W75-V231 HydrophobicContact CZ3-CG1 3.79Å; H79-V231 HydrophobicContact CB-CG1 3.81Å; V82-V231 HydrophobicContact CB-CG2 3.74Å; V82-V231 HydrophobicContact CG1-CG2 3.37Å; V231-I280 CarbonylContact O-C 3.57Å; V231-I280 WeakPolarHBondContact O-CA 3.15Å; V231-R281 HydrophobicContact CB-CB 4.1Å; V231-R281 PolarHBondContact N-O 2.82Å; V231-R281 PolarHBondContact O-N 3.41Å
232	I	81.8	Confident	82.1	Confident	48 Å²	48	52.8 Å²	52.8	25%	0.246	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.4	-176.3	-56.2	176.8	0	0	0	109.3	P230 T278 K279 I280	P230-I232 HydrophobicContact CB-CG1 4.32Å; P230-I232 HydrophobicContact CG-CD1 4.12Å; P230-I232 HydrophobicContact CG-CG1 4.24Å; P230-I232 PolarHBondContact O-N 2.77Å; I232-T278 HydrophobicContact CG2-CG2 3.8Å; I232-K279 WeakPolarHBondContact CA-O 3.39Å; I232-I280 HydrophobicContact CG1-CG1 4.33Å; I232-I280 HydrophobicContact CG1-CG2 4.27Å; I232-I280 HydrophobicContact CG2-CG1 4.44Å
233	N	81.5	Confident	82.3	Confident	18 Å²	18	54.6 Å²	54.6	10%	0.096	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.6	166.4	-176.6	17.5	0	0	0	110.1	G74 W75 T278 K279	G74-N233 PolarHBondContact O-ND2 3.29Å; W75-N233 HydrophobicContact CE3-CB 3.82Å; W75-N233 HydrophobicContact CH2-CB 4Å; W75-N233 HydrophobicContact CZ3-CB 3.36Å; N233-T278 CarbonylContact O-C 3.59Å; N233-T278 WeakPolarHBondContact O-CA 3.3Å; N233-K279 PolarHBondContact N-O 3.19Å; N233-K279 PolarHBondContact O-N 2.92Å
234	T	75.6	Confident	82.3	Confident	44 Å²	44	59.3 Å²	59.3	27%	0.27	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	119.1	176.2	-54.5	0	0	0	0	109.2	V276	T234-V276 HydrophobicContact CG2-CG1 3.59Å
235	S	70.1	Confident	82.4	Confident	43 Å²	43	56.8 Å²	56.8	30%	0.301	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.5	-178.8	62.1	0	0	0	0	111.1	I277	S235-I277 PolarHBondContact N-O 3.22Å; S235-I277 PolarHBondContact O-N 3.35Å; S235-I277 PolarHBondContact OG-O 3.47Å
236	L	73.3	Confident	82.4	Confident	60 Å²	60	54 Å²	54	31%	0.314	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.3	168	-168.2	81.6	0	0	0	108.9	T238 I241 V274 V276 F398 L401	L236-T238 HydrophobicContact CD2-CG2 3.96Å; L236-T238 HydrophobicContact CG-CG2 4.37Å; L236-T238 PolarHBondContact O-N 3.09Å; L236-I241 HydrophobicContact CD2-CD1 4.1Å; L236-I241 HydrophobicContact CG-CD1 4.5Å; L236-V274 HydrophobicContact CD1-CG1 3.59Å; L236-V276 HydrophobicContact CD1-CG2 3.87Å; L236-F398 HydrophobicContact CD2-CD2 3.79Å; L236-F398 HydrophobicContact CD2-CE2 4.42Å; L236-L401 HydrophobicContact CD2-CD1 4.23Å
237	D	75.1	Confident	82.3	Confident	31 Å²	31	57.6 Å²	57.6	17%	0.166	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	102.9	172.4	-179.3	19.4	0	0	0	109.6	K239 N275 I277	D237-K239 PolarHBondContact OD1-N 2.81Å; D237-N275 HydrophobicContact CB-CB 4.02Å; D237-N275 PolarHBondContact N-O 2.58Å; D237-N275 PolarHBondContact OD2-ND2 2.86Å; D237-I277 HydrophobicContact CB-CD1 3.95Å; D237-I277 HydrophobicContact CB-CG1 4.43Å
238	T	72.5	Confident	81.6	Confident	68 Å²	68	58.3 Å²	58.3	42%	0.417	31%	0.309	S	S	.	.			trans	-87.4	-11.7	-176	56.1	0	0	0	0	113.2	L236 N240 I241 L401	L236-T238 HydrophobicContact CD2-CG2 3.96Å; L236-T238 HydrophobicContact CG-CG2 4.37Å; L236-T238 PolarHBondContact O-N 3.09Å; T238-N240 VanDerWaalsContact C-N 3.29Å; T238-N240 PolarHBondContact O-N 3.42Å; T238-I241 HydrophobicContact CG2-CD1 4.34Å; T238-I241 PolarHBondContact O-N 3.07Å; T238-L401 HydrophobicContact CG2-CD1 4.09Å; T238-L401 HydrophobicContact CG2-CD2 3.59Å; T238-L401 HydrophobicContact CG2-CG 4.39Å
239	K	72.8	Confident	80.7	Confident	181 Å²	181	58 Å²	58	79%	0.787	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-28.3	-167.5	-66.1	179.4	-179.6	177.1	0	114.4	D237	D237-K239 PolarHBondContact OD1-N 2.81Å
240	N	76.4	Confident	79.6	Confident	98 Å²	98	64.9 Å²	64.9	52%	0.524	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	10.3	-172.2	-61.3	-60.1	0	0	0	113.2	T238 A242 N273	T238-N240 VanDerWaalsContact C-N 3.29Å; T238-N240 PolarHBondContact O-N 3.42Å; N240-A242 PolarHBondContact O-N 2.92Å; N240-N273 HydrophobicContact CB-CB 4.36Å; N240-N273 VanDerWaalsContact O-CB 3.24Å; N240-N273 WeakPolarHBondContact O-CB 3.31Å; N240-N273 PolarHBondContact O-ND2 2.95Å; N240-N273 VanDerWaalsContact O-ND2 3.12Å
241	I	81.9	Confident	78.3	Confident	29 Å²	29	75.2 Å²	75.2	15%	0.149	38%	0.377	C	S	.	.			trans	-64.2	126.6	178.9	-64.8	-179.8	0	0	0	108.5	L236 T238 F243 V271 L401	L236-I241 HydrophobicContact CD2-CD1 4.1Å; L236-I241 HydrophobicContact CG-CD1 4.5Å; T238-I241 HydrophobicContact CG2-CD1 4.34Å; T238-I241 PolarHBondContact O-N 3.07Å; I241-F243 HydrophobicContact CG2-CE2 4.2Å; I241-F243 HydrophobicContact CG2-CZ 4.17Å; I241-V271 HydrophobicContact CG2-CG1 3.52Å; I241-L401 HydrophobicContact CD1-CD1 4.04Å
242	A	84.9	Confident	77.1	Confident	35 Å²	35	78.7 Å²	78.7	29%	0.289	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.2	179.5	0	0	0	0	0	110.4	N240 N272	N240-A242 PolarHBondContact O-N 2.92Å; A242-N272 PolarHBondContact N-O 3.21Å; A242-N272 PolarHBondContact O-N 3.4Å
243	F	88.3	Confident	76.3	Confident	60 Å²	60	86.8 Å²	86.8	26%	0.263	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119	175.6	-60.3	-85.1	0	0	0	109.8	I241 Y269 V271 L364 E402 F403 P404	I241-F243 HydrophobicContact CG2-CE2 4.2Å; I241-F243 HydrophobicContact CG2-CZ 4.17Å; F243-Y269 HydrophobicContact CB-CD1 4.31Å; F243-V271 HydrophobicContact CD1-CB 4.5Å; F243-V271 HydrophobicContact CD1-CG1 4.27Å; F243-V271 HydrophobicContact CD1-CG2 3.85Å; F243-V271 HydrophobicContact CE1-CB 4.47Å; F243-V271 HydrophobicContact CE1-CG1 3.95Å; F243-V271 HydrophobicContact CE1-CG2 3.78Å; F243-L364 HydrophobicContact CD1-CD2 4.49Å; F243-L364 HydrophobicContact CE1-CD2 4.18Å; F243-E402 WeakPolarHBondContact CE2-O 3.21Å; F243-F403 HydrophobicContact CE1-CD1 4.05Å; F243-F403 HydrophobicContact CE1-CE1 4.46Å; F243-F403 AromaticContact CZ-CD1 4Å; F243-F403 HydrophobicContact CZ-CD1 4Å; F243-F403 HydrophobicContact CZ-CE1 4.46Å; F243-P404 HydrophobicContact CB-CG 3.94Å; F243-P404 HydrophobicContact CD1-CG 3.84Å; F243-P404 HydrophobicContact CD2-CG 4.5Å; F243-P404 HydrophobicContact CE1-CG 4.49Å; F243-P404 HydrophobicContact CG-CG 3.85Å
244	E	90.1	Very high	76	Confident	108 Å²	108	95.1 Å²	95.1	51%	0.505	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.4	179.5	-73.7	177.6	-153.9	0	0	111.3	T246 Y269 T270 N272	E244-T246 PolarHBondContact O-N 3.49Å; E244-Y269 CarbonylContact O-C 3.5Å; E244-Y269 VanDerWaalsContact O-CA 3.28Å; E244-Y269 WeakPolarHBondContact O-CA 3.36Å; E244-T270 PolarHBondContact N-O 2.67Å; E244-T270 PolarHBondContact O-N 3.08Å; E244-N272 PolarHBondContact OE1-ND2 3.38Å; E244-N272 PolarHBondContact OE2-ND2 3.35Å; E244-N272 VanDerWaalsContact OE2-ND2 3.16Å
245	R	90.6	Very high	76.4	Confident	75 Å²	75	97.5 Å²	97.5	28%	0.283	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	119.7	173.2	-67.2	-74.6	-72.5	-162.6	2.2	109.6	K247 D256 Y269	R245-K247 PolarHBondContact O-N 3.26Å; R245-D256 IonicContact CZ-OD2 3.41Å; R245-D256 VanDerWaalsContact CZ-OD2 3.23Å; R245-D256 IonicContact NE-OD2 2.92Å; R245-D256 PolarHBondContact NE-OD2 3.22Å; R245-D256 IonicContact NH2-OD2 3.36Å; R245-D256 PolarHBondContact NH2-OD2 2.82Å; R245-Y269 WeakPolarHBondContact CD-OH 3.15Å; R245-Y269 HydrophobicContact CG-CD1 4.45Å; R245-Y269 HydrophobicContact CG-CE1 3.96Å; R245-Y269 PolarHBondContact NH1-OH 2.93Å
246	T	86.8	Confident	77.1	Confident	23 Å²	23	99 Å²	99	14%	0.141	49%	0.491	C	S	.	.			trans	-68.4	134.5	172.3	-56.4	0	0	0	0	108.3	E244 K257 V268 T270 M363	E244-T246 PolarHBondContact O-N 3.49Å; T246-K257 HydrophobicContact CG2-CB 4.09Å; T246-K257 HydrophobicContact CG2-CD 3.62Å; T246-K257 WeakPolarHBondContact O-CB 3.28Å; T246-K257 PolarHBondContact O-N 2.78Å; T246-V268 WeakPolarHBondContact CB-O 3.48Å; T246-V268 PolarHBondContact N-O 2.98Å; T246-V268 PolarHBondContact OG1-O 3.49Å; T246-T270 PolarHBondContact OG1-OG1 2.95Å; T246-T270 VanDerWaalsContact OG1-OG1 3.09Å; T246-M363 HydrophobicContact CG2-CE 4.3Å; T246-M363 WeakPolarHBondContact OG1-CE 3.5Å
247	K	85.8	Confident	77.8	Confident	124 Å²	124	98.8 Å²	98.8	54%	0.539	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138.1	178.2	-61.1	-174.6	179.5	-176.1	0	110.8	R245 R254 T255	R245-K247 PolarHBondContact O-N 3.26Å; K247-R254 HydrophobicContact CB-CB 4.07Å; K247-R254 HydrophobicContact CD-CB 4.04Å; K247-T255 CarbonylContact C-O 3.55Å; K247-T255 WeakPolarHBondContact CA-O 3.34Å; K247-T255 WeakPolarHBondContact CB-O 3.47Å
248	S	77.4	Confident	78.5	Confident	46 Å²	46	99.7 Å²	99.7	32%	0.322	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	144.7	175.3	50.4	0	0	0	0	110.9	T255	S248-T255 PolarHBondContact N-O 2.76Å; S248-T255 PolarHBondContact O-N 2.75Å; S248-T255 PolarHBondContact O-OG1 2.83Å
249	G	70.2	Confident	79.4	Confident	50 Å²	50	99.3 Å²	99.3	52%	0.515	49%	0.493	S	S	.	.			trans	150.4	151.1	175.2	0	0	0	0	0	113.6	W253	G249-W253 WeakPolarHBondContact CA-O 3.39Å
250	F	62.8	Low	80.2	Confident	189 Å²	189	95.8 Å²	95.8	83%	0.829	49%	0.486	S	S	*	.	S	Bend	trans	-100.8	138.5	175.7	-72.1	-86.2	0	0	0	109.8
251	W	58.7	Low	80.8	Confident	242 Å²	242	91.8 Å²	91.8	92%	0.917	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	72	174.2	-65.9	95.6	0	0	0	115.9	W253	W251-W253 PolarHBondContact O-N 2.87Å
252	G	61.9	Low	80.9	Confident	80 Å²	80	95 Å²	95	83%	0.825	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	-22.7	165.3	0	0	0	0	0	116.6	R254	G252-R254 PolarHBondContact O-N 2.91Å
253	W	65.8	Low	80.7	Confident	219 Å²	219	96.6 Å²	96.6	83%	0.83	50%	0.502	S	S	*	.			trans	-85.4	89.8	171.5	-57.3	92.4	0	0	0	109.2	G249 W251	G249-W253 WeakPolarHBondContact CA-O 3.39Å; W251-W253 PolarHBondContact O-N 2.87Å
254	R	75.4	Confident	80.7	Confident	193 Å²	193	96.5 Å²	96.5	73%	0.728	50%	0.501	S	S	*	.			trans	-98.1	111.7	177	-73.6	-174.4	-179.9	174.7	1	109.6	K247 G252	K247-R254 HydrophobicContact CB-CB 4.07Å; K247-R254 HydrophobicContact CD-CB 4.04Å; G252-R254 PolarHBondContact O-N 2.91Å
255	T	82.9	Confident	80.8	Confident	93 Å²	93	98.3 Å²	98.3	57%	0.571	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	156.6	168.5	54.2	0	0	0	0	109.9	K247 S248 K257	K247-T255 CarbonylContact C-O 3.55Å; K247-T255 WeakPolarHBondContact CA-O 3.34Å; K247-T255 WeakPolarHBondContact CB-O 3.47Å; S248-T255 PolarHBondContact N-O 2.76Å; S248-T255 PolarHBondContact O-N 2.75Å; S248-T255 PolarHBondContact O-OG1 2.83Å; T255-K257 PolarHBondContact O-N 3.28Å
256	D	85.8	Confident	80.9	Confident	75 Å²	75	94.8 Å²	94.8	40%	0.401	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	136.2	172.6	-78.9	3.6	0	0	0	110.4	R245	R245-D256 IonicContact CZ-OD2 3.41Å; R245-D256 VanDerWaalsContact CZ-OD2 3.23Å; R245-D256 IonicContact NE-OD2 2.92Å; R245-D256 PolarHBondContact NE-OD2 3.22Å; R245-D256 IonicContact NH2-OD2 3.36Å; R245-D256 PolarHBondContact NH2-OD2 2.82Å
257	K	88.1	Confident	81.3	Confident	56 Å²	56	96.9 Å²	96.9	24%	0.243	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-80.8	123.2	-178.6	-168.7	-178.6	-177	-160.1	0	109.5	T246 T255 E259 V268	T246-K257 HydrophobicContact CG2-CB 4.09Å; T246-K257 HydrophobicContact CG2-CD 3.62Å; T246-K257 WeakPolarHBondContact O-CB 3.28Å; T246-K257 PolarHBondContact O-N 2.78Å; T255-K257 PolarHBondContact O-N 3.28Å; K257-E259 WeakPolarHBondContact CE-OE1 3.46Å; K257-E259 IonicContact NZ-OE1 3.79Å; K257-E259 PolarHBondContact NZ-OE1 2.98Å; K257-V268 HydrophobicContact CB-CB 4.3Å; K257-V268 HydrophobicContact CB-CG2 4.48Å; K257-V268 HydrophobicContact CD-CB 4.35Å; K257-V268 HydrophobicContact CD-CG1 4.45Å; K257-V268 HydrophobicContact CD-CG2 4.33Å; K257-V268 HydrophobicContact CG-CB 4.33Å; K257-V268 HydrophobicContact CG-CG2 4.1Å; K257-V268 PolarHBondContact O-N 3.13Å; K257-V268 VanDerWaalsContact O-N 3.07Å
258	A	89.6	Confident	81.6	Confident	49 Å²	49	91 Å²	91	41%	0.405	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	142.8	167.4	0	0	0	0	0	108.7	E265 A266	A258-E265 HydrophobicContact CB-CG 4.39Å; A258-A266 CarbonylContact C-O 3.59Å; A258-A266 VanDerWaalsContact CA-O 3.3Å; A258-A266 WeakPolarHBondContact CA-O 3.48Å
259	E	91.9	Very high	82.4	Confident	61 Å²	61	89.9 Å²	89.9	29%	0.285	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	143.2	176	-72.2	-176.5	-175.2	0	0	109.4	K257 A266 V268 W365	K257-E259 WeakPolarHBondContact CE-OE1 3.46Å; K257-E259 IonicContact NZ-OE1 3.79Å; K257-E259 PolarHBondContact NZ-OE1 2.98Å; E259-A266 PolarHBondContact N-O 3.17Å; E259-A266 PolarHBondContact O-N 3.29Å; E259-V268 HydrophobicContact CB-CG2 4.12Å; E259-V268 HydrophobicContact CG-CG2 3.95Å; E259-W365 PolarHBondContact OE2-NE1 3.21Å
260	V	89.8	Confident	83.3	Confident	106 Å²	106	88.8 Å²	88.8	64%	0.642	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	120.7	173.2	-179.6	0	0	0	0	108.7	Y264	V260-Y264 CarbonylContact C-O 3.54Å; V260-Y264 WeakPolarHBondContact CA-O 3.21Å
261	V	87.3	Confident	84.6	Confident	14 Å²	14	80 Å²	80	9%	0.085	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117.6	176.8	-179.2	0	0	0	0	108	G263 Y264 A266 W365 V409 K410	V261-G263 PolarHBondContact O-N 2.88Å; V261-G263 VanDerWaalsContact O-N 3.14Å; V261-Y264 PolarHBondContact N-O 3.33Å; V261-Y264 PolarHBondContact O-N 3.44Å; V261-A266 HydrophobicContact CG2-CB 4.5Å; V261-W365 HydrophobicContact CG2-CB 4.44Å; V261-W365 HydrophobicContact CG2-CG 4.2Å; V261-V409 HydrophobicContact CB-CG2 4.02Å; V261-V409 HydrophobicContact CG1-CG2 4.31Å; V261-V409 HydrophobicContact CG2-CG2 4.4Å; V261-K410 HydrophobicContact CG1-CB 4.06Å; V261-K410 HydrophobicContact CG2-CB 4.36Å; V261-K410 HydrophobicContact CG2-CD 4.36Å
262	N	83.9	Confident	85.9	Confident	97 Å²	97	69.2 Å²	69.2	52%	0.519	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	35.5	-179.3	-63	-29.1	0	0	0	114.2	Y264 F425 G426	N262-Y264 VanDerWaalsContact C-N 3.34Å; N262-Y264 WeakPolarHBondContact O-CD2 3.18Å; N262-F425 PolarHBondContact ND2-O 2.97Å; N262-G426 WeakPolarHBondContact ND2-CA 3.49Å
263	G	82.6	Confident	86.9	Confident	68 Å²	68	69.5 Å²	69.5	70%	0.701	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-5	-178.9	0	0	0	0	0	115.2	V261	V261-G263 PolarHBondContact O-N 2.88Å; V261-G263 VanDerWaalsContact O-N 3.14Å
264	Y	87.9	Confident	87.5	Confident	58 Å²	58	59.2 Å²	59.2	23%	0.227	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.9	177.3	-60.7	-80.1	0	0	0	111.1	V260 V261 N262 A266 F370 P371	V260-Y264 CarbonylContact C-O 3.54Å; V260-Y264 WeakPolarHBondContact CA-O 3.21Å; V261-Y264 PolarHBondContact N-O 3.33Å; V261-Y264 PolarHBondContact O-N 3.44Å; N262-Y264 VanDerWaalsContact C-N 3.34Å; N262-Y264 WeakPolarHBondContact O-CD2 3.18Å; Y264-A266 PolarHBondContact O-N 3.24Å; Y264-F370 HydrophobicContact CD1-CD2 4.03Å; Y264-F370 HydrophobicContact CD2-CD2 4.02Å; Y264-F370 AromaticContact CD2-CE2 3.85Å; Y264-F370 HydrophobicContact CD2-CE2 3.85Å; Y264-F370 HydrophobicContact CE1-CD2 4.14Å; Y264-F370 HydrophobicContact CE2-CD2 4.12Å; Y264-F370 AromaticContact CE2-CE2 3.77Å; Y264-F370 HydrophobicContact CE2-CE2 3.77Å; Y264-F370 AromaticContact CG-CD2 3.98Å; Y264-F370 HydrophobicContact CG-CD2 3.98Å; Y264-F370 HydrophobicContact CG-CE2 4.29Å; Y264-P371 HydrophobicContact CE1-CG 4Å; Y264-P371 WeakPolarHBondContact OH-CG 3.41Å
265	E	91.4	Very high	87.6	Confident	147 Å²	147	50.7 Å²	50.7	69%	0.687	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	117.9	172.6	-171.5	174.8	-174.6	0	0	109.6	A258 C367	A258-E265 HydrophobicContact CB-CG 4.39Å; E265-C367 PolarHBondContact O-SG 3.27Å; E265-C367 VanDerWaalsContact O-SG 3.33Å
266	A	93.4	Very high	87.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.3	-175.7	0	0	0	0	0	111.6	A258 E259 V261 Y264 W365 M366 C367 V409	A258-A266 CarbonylContact C-O 3.59Å; A258-A266 VanDerWaalsContact CA-O 3.3Å; A258-A266 WeakPolarHBondContact CA-O 3.48Å; E259-A266 PolarHBondContact N-O 3.17Å; E259-A266 PolarHBondContact O-N 3.29Å; V261-A266 HydrophobicContact CG2-CB 4.5Å; Y264-A266 PolarHBondContact O-N 3.24Å; A266-W365 HydrophobicContact CB-CB 3.84Å; A266-M366 CarbonylContact C-O 3.54Å; A266-M366 WeakPolarHBondContact CA-O 3.33Å; A266-C367 HydrophobicContact CB-CB 4.47Å; A266-V409 HydrophobicContact CB-CG2 3.6Å
267	K	94.1	Very high	87	Confident	67 Å²	67	45.6 Å²	45.6	29%	0.291	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126.8	173.8	-73.9	163.9	174.3	-178.7	0	109.2	Y269 W365 M366 E368	K267-Y269 HydrophobicContact CB-CD2 4.39Å; K267-Y269 HydrophobicContact CB-CE2 3.65Å; K267-Y269 WeakPolarHBondContact O-CD2 3.41Å; K267-W365 WeakPolarHBondContact O-CA 3.34Å; K267-M366 PolarHBondContact N-O 3.01Å; K267-M366 PolarHBondContact O-N 3.47Å; K267-E368 IonicContact NZ-OE1 2.81Å; K267-E368 PolarHBondContact NZ-OE1 3.3Å; K267-E368 IonicContact NZ-OE2 3.1Å; K267-E368 PolarHBondContact NZ-OE2 3.44Å
268	V	93.8	Very high	86.6	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.2	-175.7	-169.2	0	0	0	0	111.2	T246 K257 E259 M363 W365	T246-V268 WeakPolarHBondContact CB-O 3.48Å; T246-V268 PolarHBondContact N-O 2.98Å; T246-V268 PolarHBondContact OG1-O 3.49Å; K257-V268 HydrophobicContact CB-CB 4.3Å; K257-V268 HydrophobicContact CB-CG2 4.48Å; K257-V268 HydrophobicContact CD-CB 4.35Å; K257-V268 HydrophobicContact CD-CG1 4.45Å; K257-V268 HydrophobicContact CD-CG2 4.33Å; K257-V268 HydrophobicContact CG-CB 4.33Å; K257-V268 HydrophobicContact CG-CG2 4.1Å; K257-V268 PolarHBondContact O-N 3.13Å; K257-V268 VanDerWaalsContact O-N 3.07Å; E259-V268 HydrophobicContact CB-CG2 4.12Å; E259-V268 HydrophobicContact CG-CG2 3.95Å; V268-M363 HydrophobicContact CG1-CE 3.57Å; V268-W365 HydrophobicContact CG1-CD2 4.45Å; V268-W365 HydrophobicContact CG1-CZ2 4.29Å; V268-W365 HydrophobicContact CG2-CG 4.41Å
269	Y	92.2	Very high	86.4	Confident	24 Å²	24	43.7 Å²	43.7	9%	0.094	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	141.7	176.8	-66.6	-99.7	0	0	0	110.7	F243 E244 R245 K267 M363 L364 M366 P404	F243-Y269 HydrophobicContact CB-CD1 4.31Å; E244-Y269 CarbonylContact O-C 3.5Å; E244-Y269 VanDerWaalsContact O-CA 3.28Å; E244-Y269 WeakPolarHBondContact O-CA 3.36Å; R245-Y269 WeakPolarHBondContact CD-OH 3.15Å; R245-Y269 HydrophobicContact CG-CD1 4.45Å; R245-Y269 HydrophobicContact CG-CE1 3.96Å; R245-Y269 PolarHBondContact NH1-OH 2.93Å; K267-Y269 HydrophobicContact CB-CD2 4.39Å; K267-Y269 HydrophobicContact CB-CE2 3.65Å; K267-Y269 WeakPolarHBondContact O-CD2 3.41Å; Y269-M363 CarbonylContact O-C 3.57Å; Y269-M363 WeakPolarHBondContact O-CA 3.47Å; Y269-L364 PolarHBondContact N-O 3.21Å; Y269-L364 PolarHBondContact O-N 3.13Å; Y269-M366 HydrophobicContact CD2-CB 4.2Å; Y269-M366 HydrophobicContact CD2-CG 3.83Å; Y269-M366 HydrophobicContact CE2-CB 4.01Å; Y269-M366 HydrophobicContact CE2-CG 4.04Å; Y269-P404 HydrophobicContact CD1-CB 4.31Å; Y269-P404 HydrophobicContact CD1-CG 3.91Å; Y269-P404 HydrophobicContact CD2-CB 4.43Å; Y269-P404 HydrophobicContact CD2-CG 4.35Å; Y269-P404 HydrophobicContact CE1-CB 3.9Å; Y269-P404 HydrophobicContact CE1-CG 3.99Å; Y269-P404 HydrophobicContact CE2-CB 4.06Å; Y269-P404 HydrophobicContact CE2-CG 4.46Å; Y269-P404 HydrophobicContact CG-CG 4.09Å
270	T	90.9	Very high	86.2	Confident	26 Å²	26	41 Å²	41	16%	0.16	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	129.9	164.5	-55.9	0	0	0	0	108.1	E244 T246 N272 K361 M363	E244-T270 PolarHBondContact N-O 2.67Å; E244-T270 PolarHBondContact O-N 3.08Å; T246-T270 PolarHBondContact OG1-OG1 2.95Å; T246-T270 VanDerWaalsContact OG1-OG1 3.09Å; T270-N272 WeakPolarHBondContact CG2-OD1 3.48Å; T270-K361 HydrophobicContact CG2-CB 4.45Å; T270-M363 HydrophobicContact CG2-SD 3.9Å; T270-M363 PolarHBondContact OG1-SD 3.39Å
271	V	88.4	Confident	86.2	Confident	6 Å²	6	36.2 Å²	36.2	4%	0.036	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	104.9	173.8	-166.8	0	0	0	0	107.5	I241 F243 V274 K361 A362 L364	I241-V271 HydrophobicContact CG2-CG1 3.52Å; F243-V271 HydrophobicContact CD1-CB 4.5Å; F243-V271 HydrophobicContact CD1-CG1 4.27Å; F243-V271 HydrophobicContact CD1-CG2 3.85Å; F243-V271 HydrophobicContact CE1-CB 4.47Å; F243-V271 HydrophobicContact CE1-CG1 3.95Å; F243-V271 HydrophobicContact CE1-CG2 3.78Å; V271-V274 HydrophobicContact CB-CG2 4.14Å; V271-V274 HydrophobicContact CG1-CG2 3.5Å; V271-K361 WeakPolarHBondContact O-CA 3.5Å; V271-A362 HydrophobicContact CB-CB 4.11Å; V271-A362 HydrophobicContact CG2-CB 4.3Å; V271-A362 PolarHBondContact N-O 3.02Å; V271-A362 PolarHBondContact O-N 3.44Å; V271-A362 VanDerWaalsContact O-N 3.14Å; V271-L364 HydrophobicContact CG2-CB 4.14Å
272	N	86.6	Confident	86.3	Confident	15 Å²	15	36.3 Å²	36.3	8%	0.08	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	157.6	-179.8	-72.5	-39.6	0	0	0	111.2	A242 E244 T270 V274	A242-N272 PolarHBondContact N-O 3.21Å; A242-N272 PolarHBondContact O-N 3.4Å; E244-N272 PolarHBondContact OE1-ND2 3.38Å; E244-N272 PolarHBondContact OE2-ND2 3.35Å; E244-N272 VanDerWaalsContact OE2-ND2 3.16Å; T270-N272 WeakPolarHBondContact CG2-OD1 3.48Å; N272-V274 VanDerWaalsContact C-N 3.28Å; N272-V274 PolarHBondContact O-N 3.26Å
273	N	82.4	Confident	86.6	Confident	85 Å²	85	32.6 Å²	32.6	46%	0.455	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	59.7	31.5	174.5	-51.2	-35.6	0	0	0	114.7	N240 N275	N240-N273 HydrophobicContact CB-CB 4.36Å; N240-N273 VanDerWaalsContact O-CB 3.24Å; N240-N273 WeakPolarHBondContact O-CB 3.31Å; N240-N273 PolarHBondContact O-ND2 2.95Å; N240-N273 VanDerWaalsContact O-ND2 3.12Å; N273-N275 PolarHBondContact O-N 3.32Å; N273-N275 VanDerWaalsContact O-N 3.08Å
274	V	78.9	Confident	86.9	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.018	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	103.5	170.9	-168.6	0	0	0	0	107.6	L236 V271 N272 K359 F360	L236-V274 HydrophobicContact CD1-CG1 3.59Å; V271-V274 HydrophobicContact CB-CG2 4.14Å; V271-V274 HydrophobicContact CG1-CG2 3.5Å; N272-V274 VanDerWaalsContact C-N 3.28Å; N272-V274 PolarHBondContact O-N 3.26Å; V274-K359 WeakPolarHBondContact O-CA 3.38Å; V274-F360 HydrophobicContact CB-CD2 3.98Å; V274-F360 HydrophobicContact CB-CE1 4.48Å; V274-F360 HydrophobicContact CB-CE2 3.73Å; V274-F360 HydrophobicContact CB-CG 4.43Å; V274-F360 HydrophobicContact CB-CZ 4.02Å; V274-F360 HydrophobicContact CG1-CD2 4.2Å; V274-F360 HydrophobicContact CG1-CE1 3.89Å; V274-F360 HydrophobicContact CG1-CE2 3.49Å; V274-F360 VanDerWaalsContact CG1-CE2 3.49Å; V274-F360 HydrophobicContact CG1-CZ 3.32Å; V274-F360 HydrophobicContact CG2-CE2 4.22Å; V274-F360 PolarHBondContact N-O 2.77Å; V274-F360 PolarHBondContact O-N 2.93Å
275	N	78.1	Confident	87	Confident	15 Å²	15	27.9 Å²	27.9	8%	0.08	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.3	175.6	-44.5	-49.4	0	0	0	108.9	D237 N273 T357 Q358 K359	D237-N275 HydrophobicContact CB-CB 4.02Å; D237-N275 PolarHBondContact N-O 2.58Å; D237-N275 PolarHBondContact OD2-ND2 2.86Å; N273-N275 PolarHBondContact O-N 3.32Å; N273-N275 VanDerWaalsContact O-N 3.08Å; N275-T357 HydrophobicContact CB-CG2 4.21Å; N275-Q358 CarbonylContact C-O 3.56Å; N275-Q358 WeakPolarHBondContact CA-O 3.48Å; N275-K359 VanDerWaalsContact OD1-CD 3.31Å; N275-K359 WeakPolarHBondContact OD1-CD 3.25Å; N275-K359 WeakPolarHBondContact OD1-CE 3.48Å; N275-K359 WeakPolarHBondContact OD1-CG 3.48Å
276	V	75.3	Confident	87	Confident	26 Å²	26	24.2 Å²	24.2	16%	0.158	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	116.7	166.1	176	0	0	0	0	107.2	T234 L236 Q358 F360	T234-V276 HydrophobicContact CG2-CG1 3.59Å; L236-V276 HydrophobicContact CD1-CG2 3.87Å; V276-Q358 PolarHBondContact N-O 3.03Å; V276-Q358 PolarHBondContact O-N 3.26Å; V276-F360 HydrophobicContact CG2-CD1 4.5Å; V276-F360 HydrophobicContact CG2-CE1 3.58Å; V276-F360 HydrophobicContact CG2-CZ 4.32Å
277	I	79.8	Confident	86.7	Confident	35 Å²	35	29.6 Å²	29.6	18%	0.179	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	115.5	179.1	-56.1	175.4	0	0	0	107.2	S235 D237 K279 I355 R356 T357	S235-I277 PolarHBondContact N-O 3.22Å; S235-I277 PolarHBondContact O-N 3.35Å; S235-I277 PolarHBondContact OG-O 3.47Å; D237-I277 HydrophobicContact CB-CD1 3.95Å; D237-I277 HydrophobicContact CB-CG1 4.43Å; I277-K279 HydrophobicContact CG2-CG 4.19Å; I277-I355 HydrophobicContact CG2-CG2 3.74Å; I277-R356 WeakPolarHBondContact CA-O 3.24Å; I277-T357 HydrophobicContact CG1-CG2 4.45Å
278	T	80.6	Confident	86.4	Confident	22 Å²	22	32.5 Å²	32.5	14%	0.135	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.3	172.5	-53.5	0	0	0	0	108.6	I232 N233 I280 R356	I232-T278 HydrophobicContact CG2-CG2 3.8Å; N233-T278 CarbonylContact O-C 3.59Å; N233-T278 WeakPolarHBondContact O-CA 3.3Å; T278-I280 HydrophobicContact CG2-CD1 4.29Å; T278-I280 HydrophobicContact CG2-CG1 3.99Å; T278-R356 PolarHBondContact N-O 3.16Å; T278-R356 PolarHBondContact O-N 3.38Å
279	K	84.9	Confident	86.1	Confident	42 Å²	42	34.1 Å²	34.1	18%	0.183	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.6	174.8	-62.4	-178.5	-173.1	172	0	108.5	Q73 W75 I232 N233 I277 L353 T354 I355	Q73-K279 PolarHBondContact O-NZ 3.45Å; W75-K279 HydrophobicContact CH2-CB 3.51Å; W75-K279 HydrophobicContact CZ2-CB 3.53Å; W75-K279 HydrophobicContact CZ2-CD 4.07Å; W75-K279 HydrophobicContact CZ2-CG 4.44Å; I232-K279 WeakPolarHBondContact CA-O 3.39Å; N233-K279 PolarHBondContact N-O 3.19Å; N233-K279 PolarHBondContact O-N 2.92Å; I277-K279 HydrophobicContact CG2-CG 4.19Å; K279-L353 HydrophobicContact CB-CD1 4.01Å; K279-T354 WeakPolarHBondContact CA-O 3.31Å; K279-I355 HydrophobicContact CG-CG1 4.39Å
280	I	87.3	Confident	85.9	Confident	5 Å²	5	33.6 Å²	33.6	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.4	-177	-53.5	171.6	0	0	0	107.9	P230 V231 I232 T278 T282 L353 T354	P230-I280 HydrophobicContact CB-CG2 3.92Å; V231-I280 CarbonylContact O-C 3.57Å; V231-I280 WeakPolarHBondContact O-CA 3.15Å; I232-I280 HydrophobicContact CG1-CG1 4.33Å; I232-I280 HydrophobicContact CG1-CG2 4.27Å; I232-I280 HydrophobicContact CG2-CG1 4.44Å; T278-I280 HydrophobicContact CG2-CD1 4.29Å; T278-I280 HydrophobicContact CG2-CG1 3.99Å; I280-T282 HydrophobicContact CG2-CG2 4.3Å; I280-L353 WeakPolarHBondContact O-CA 3.45Å; I280-T354 PolarHBondContact N-O 3.04Å; I280-T354 PolarHBondContact O-N 2.97Å
281	R	89.9	Confident	85.6	Confident	5 Å²	5	39.3 Å²	39.3	2%	0.019	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	132.5	177.5	-78.6	172.9	72.2	176.9	-1	110.4	W75 E80 S83 V231 E283 E352 L353	W75-R281 VanDerWaalsContact CE2-CD 3.46Å; W75-R281 HydrophobicContact CH2-CB 4.44Å; W75-R281 HydrophobicContact CH2-CG 3.81Å; W75-R281 HydrophobicContact CZ2-CG 3.64Å; E80-R281 IonicContact OE1-NH1 2.81Å; E80-R281 PolarHBondContact OE1-NH1 3.44Å; E80-R281 VanDerWaalsContact OE1-NH1 3.1Å; E80-R281 IonicContact OE2-CZ 2.78Å; E80-R281 IonicContact OE2-NH1 3.94Å; E80-R281 PolarHBondContact OE2-NH1 3.23Å; E80-R281 IonicContact OE2-NH2 3.33Å; E80-R281 PolarHBondContact OE2-NH2 3.2Å; S83-R281 VanDerWaalsContact CB-NH2 3.31Å; S83-R281 VanDerWaalsContact OG-CZ 3.27Å; S83-R281 PolarHBondContact OG-NH2 2.71Å; V231-R281 HydrophobicContact CB-CB 4.1Å; V231-R281 PolarHBondContact N-O 2.82Å; V231-R281 PolarHBondContact O-N 3.41Å; R281-E283 WeakPolarHBondContact CB-OE2 3.27Å; R281-E283 IonicContact CZ-OE1 3.7Å; R281-E283 IonicContact NE-OE1 2.74Å; R281-E283 PolarHBondContact NE-OE1 3.2Å; R281-E283 IonicContact NE-OE2 4Å; R281-E283 IonicContact NH2-OE1 3.21Å; R281-E283 PolarHBondContact NH2-OE1 2.73Å; R281-E352 WeakPolarHBondContact CA-O 3.47Å; R281-L353 HydrophobicContact CG-CD1 4.02Å
282	T	90.7	Very high	85.3	Confident	17 Å²	17	45.9 Å²	45.9	10%	0.104	22%	0.219	C	C	.	.			trans	-128.9	3	-174.6	56	0	0	0	0	114.1	P230 I280 H284 L285 K290 E352	P230-T282 HydrophobicContact CB-CG2 4.14Å; I280-T282 HydrophobicContact CG2-CG2 4.3Å; T282-H284 PolarHBondContact O-N 3.44Å; T282-H284 VanDerWaalsContact O-N 3.15Å; T282-L285 HydrophobicContact CG2-CD1 4.08Å; T282-L285 WeakPolarHBondContact O-CB 3.33Å; T282-L285 PolarHBondContact O-N 3.01Å; T282-K290 WeakPolarHBondContact O-CE 3.4Å; T282-E352 PolarHBondContact N-O 2.98Å; T282-E352 PolarHBondContact OG1-OE2 3.01Å
283	E	89.1	Confident	84.9	Confident	18 Å²	18	48.2 Å²	48.2	8%	0.084	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.2	-172.9	63.1	-90.6	-155.1	0	0	115	R281 R349 P350 E352	R281-E283 WeakPolarHBondContact CB-OE2 3.27Å; R281-E283 IonicContact CZ-OE1 3.7Å; R281-E283 IonicContact NE-OE1 2.74Å; R281-E283 PolarHBondContact NE-OE1 3.2Å; R281-E283 IonicContact NE-OE2 4Å; R281-E283 IonicContact NH2-OE1 3.21Å; R281-E283 PolarHBondContact NH2-OE1 2.73Å; E283-R349 HydrophobicContact CG-CB 4.31Å; E283-P350 WeakPolarHBondContact CB-O 3.34Å; E283-E352 HydrophobicContact CB-CB 4.19Å; E283-E352 HydrophobicContact CB-CG 4.19Å; E283-E352 PolarHBondContact OE2-N 3.34Å
284	H	89.6	Confident	84.6	Confident	17 Å²	17	50.6 Å²	50.6	8%	0.079	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-16.6	176.1	63.6	-63.7	0	0	0	112.9	L227 S229 T282	L227-H284 PolarHBondContact O-CD2 3.23Å; S229-H284 PolarHBondContact O-CE1 3.34Å; S229-H284 PolarHBondContact O-NE2 3.17Å; T282-H284 PolarHBondContact O-N 3.44Å; T282-H284 VanDerWaalsContact O-N 3.15Å
285	L	90.3	Very high	84.2	Confident	10 Å²	10	54.3 Å²	54.3	5%	0.052	27%	0.265	C	S	.	.	S	Bend	trans	-79.9	147.8	-177.8	-59.1	-177.6	0	0	0	111.9	L227 T228 P230 T282 E289 K290	L227-L285 WeakPolarHBondContact O-CD2 3.38Å; T228-L285 VanDerWaalsContact C-CD2 3.43Å; T228-L285 WeakPolarHBondContact O-CD2 3.48Å; P230-L285 HydrophobicContact CB-CD1 4.25Å; T282-L285 HydrophobicContact CG2-CD1 4.08Å; T282-L285 WeakPolarHBondContact O-CB 3.33Å; T282-L285 PolarHBondContact O-N 3.01Å; L285-E289 HydrophobicContact CB-CB 4.18Å; L285-E289 HydrophobicContact CD2-CB 4.42Å; L285-K290 HydrophobicContact CB-CG 3.85Å; L285-K290 HydrophobicContact CD1-CG 4.43Å; L285-K290 VanDerWaalsContact O-CE 3.25Å; L285-K290 WeakPolarHBondContact O-CE 3.48Å
286	T	89.7	Confident	83.5	Confident	71 Å²	71	59.8 Å²	59.8	44%	0.436	29%	0.294	S	S	.	.			trans	-71.3	157.8	167.6	63.5	0	0	0	0	111.3	E288 E289 K290	T286-E288 PolarHBondContact O-N 3.39Å; T286-E289 WeakPolarHBondContact CB-OE2 3.44Å; T286-E289 WeakPolarHBondContact CG2-OE2 3.02Å; T286-E289 PolarHBondContact N-OE2 3.36Å; T286-E289 PolarHBondContact O-N 2.93Å; T286-E289 VanDerWaalsContact O-N 3.12Å; T286-E289 VanDerWaalsContact OG1-CG 3.23Å; T286-E289 WeakPolarHBondContact OG1-CG 3.36Å; T286-E289 PolarHBondContact OG1-N 2.85Å; T286-E289 PolarHBondContact OG1-OE2 3.49Å; T286-K290 WeakPolarHBondContact O-CG 3.28Å; T286-K290 PolarHBondContact O-N 2.86Å
287	E	88.3	Confident	83	Confident	113 Å²	113	61.8 Å²	61.8	53%	0.528	30%	0.299	S	S	.	.	H	α-helix	trans	-60.2	-28.9	176.3	-67.8	-55.5	124.1	0	0	113	K290 K291	E287-K290 WeakPolarHBondContact OE1-CD 3.35Å; E287-K290 IonicContact OE1-NZ 2.96Å; E287-K290 PolarHBondContact OE1-NZ 2.82Å; E287-K291 WeakPolarHBondContact O-CB 3.36Å; E287-K291 WeakPolarHBondContact O-CG 3.46Å; E287-K291 PolarHBondContact O-N 3.5Å
288	E	88.4	Confident	81.7	Confident	128 Å²	128	62.2 Å²	62.2	60%	0.598	30%	0.301	S	S	*	.	H	α-helix	trans	-68.9	-44.8	173.9	-65.9	-178.4	-171.4	0	0	112	T286 K291 R292	T286-E288 PolarHBondContact O-N 3.39Å; E288-K291 WeakPolarHBondContact O-CB 2.91Å; E288-K291 PolarHBondContact O-N 2.96Å; E288-R292 WeakPolarHBondContact O-CG 3.48Å; E288-R292 PolarHBondContact O-N 3.4Å; E288-R292 IonicContact OE2-NH2 2.81Å; E288-R292 PolarHBondContact OE2-NH2 3.22Å
289	E	87.5	Confident	80	Confident	34 Å²	34	66.5 Å²	66.5	16%	0.159	33%	0.33	C	S	.	.	H	α-helix	trans	-66.1	-41.4	176.6	-70.4	159	155.5	0	0	111.2	T228 L285 T286 K291 R292 Y293	T228-E289 VanDerWaalsContact CG2-OE1 3.32Å; T228-E289 WeakPolarHBondContact CG2-OE1 3.46Å; L285-E289 HydrophobicContact CB-CB 4.18Å; L285-E289 HydrophobicContact CD2-CB 4.42Å; T286-E289 WeakPolarHBondContact CB-OE2 3.44Å; T286-E289 WeakPolarHBondContact CG2-OE2 3.02Å; T286-E289 PolarHBondContact N-OE2 3.36Å; T286-E289 PolarHBondContact O-N 2.93Å; T286-E289 VanDerWaalsContact O-N 3.12Å; T286-E289 VanDerWaalsContact OG1-CG 3.23Å; T286-E289 WeakPolarHBondContact OG1-CG 3.36Å; T286-E289 PolarHBondContact OG1-N 2.85Å; T286-E289 PolarHBondContact OG1-OE2 3.49Å; E289-K291 VanDerWaalsContact C-N 3.29Å; E289-K291 PolarHBondContact O-N 2.76Å; E289-R292 PolarHBondContact O-N 2.87Å; E289-Y293 WeakPolarHBondContact O-CB 3.21Å; E289-Y293 PolarHBondContact O-N 3.28Å
290	K	87.4	Confident	77.9	Confident	13 Å²	13	67.2 Å²	67.2	6%	0.057	34%	0.335	C	S	.	.	H	α-helix	trans	-59.1	-41.1	172.3	-68.5	178.5	-166.2	171.1	0	111.5	T282 L285 T286 E287 K294 E352	T282-K290 WeakPolarHBondContact O-CE 3.4Å; L285-K290 HydrophobicContact CB-CG 3.85Å; L285-K290 HydrophobicContact CD1-CG 4.43Å; L285-K290 VanDerWaalsContact O-CE 3.25Å; L285-K290 WeakPolarHBondContact O-CE 3.48Å; T286-K290 WeakPolarHBondContact O-CG 3.28Å; T286-K290 PolarHBondContact O-N 2.86Å; E287-K290 WeakPolarHBondContact OE1-CD 3.35Å; E287-K290 IonicContact OE1-NZ 2.96Å; E287-K290 PolarHBondContact OE1-NZ 2.82Å; K290-K294 WeakPolarHBondContact O-CB 3.34Å; K290-K294 VanDerWaalsContact O-CG 3.25Å; K290-K294 WeakPolarHBondContact O-CG 3.41Å; K290-K294 PolarHBondContact O-N 3.41Å; K290-E352 WeakPolarHBondContact CE-OE2 3.25Å; K290-E352 IonicContact NZ-OE1 3.42Å; K290-E352 PolarHBondContact NZ-OE1 3.29Å; K290-E352 IonicContact NZ-OE2 2.66Å; K290-E352 PolarHBondContact NZ-OE2 3.43Å
291	K	84.3	Confident	76.1	Confident	145 Å²	145	68.3 Å²	68.3	63%	0.63	34%	0.34	S	S	*	.	H	α-helix	trans	-66	-44.4	175.6	-78.9	173.3	-174.4	179	0	111.9	E287 E288 E289 K294 A295	E287-K291 WeakPolarHBondContact O-CB 3.36Å; E287-K291 WeakPolarHBondContact O-CG 3.46Å; E287-K291 PolarHBondContact O-N 3.5Å; E288-K291 WeakPolarHBondContact O-CB 2.91Å; E288-K291 PolarHBondContact O-N 2.96Å; E289-K291 VanDerWaalsContact C-N 3.29Å; E289-K291 PolarHBondContact O-N 2.76Å; K291-K294 PolarHBondContact O-N 3.38Å; K291-A295 VanDerWaalsContact O-CB 3.31Å; K291-A295 WeakPolarHBondContact O-CB 3.46Å; K291-A295 PolarHBondContact O-N 2.81Å
292	R	82.8	Confident	74.1	Confident	145 Å²	145	73.1 Å²	73.1	55%	0.547	38%	0.375	S	S	.	.	H	α-helix	trans	-58.4	-50.8	175.2	-71.2	178.2	-133.1	170.8	3.3	110.7	E288 E289 K294 A295 D296	E288-R292 WeakPolarHBondContact O-CG 3.48Å; E288-R292 PolarHBondContact O-N 3.4Å; E288-R292 IonicContact OE2-NH2 2.81Å; E288-R292 PolarHBondContact OE2-NH2 3.22Å; E289-R292 PolarHBondContact O-N 2.87Å; R292-K294 VanDerWaalsContact C-N 3.33Å; R292-K294 PolarHBondContact O-N 2.82Å; R292-A295 WeakPolarHBondContact O-CB 3.26Å; R292-A295 PolarHBondContact O-N 2.79Å; R292-D296 PolarHBondContact O-N 3.25Å
293	Y	77.9	Confident	71.5	Confident	63 Å²	63	77.7 Å²	77.7	25%	0.247	40%	0.398	C	S	.	.	H	α-helix	trans	-58.5	-41.3	176.3	173.8	-110.3	0	0	0	113.1	P230 E289 R297	P230-Y293 HydrophobicContact CG-CD2 3.78Å; P230-Y293 HydrophobicContact CG-CE1 4.47Å; P230-Y293 HydrophobicContact CG-CE2 3.68Å; P230-Y293 HydrophobicContact CG-CG 4.24Å; E289-Y293 WeakPolarHBondContact O-CB 3.21Å; E289-Y293 PolarHBondContact O-N 3.28Å; Y293-R297 PolarHBondContact O-N 2.83Å
294	K	76.6	Confident	69.5	Low	136 Å²	136	80 Å²	80	59%	0.591	41%	0.41	S	S	*	.	H	α-helix	trans	-69.8	-30.5	175.4	-75.9	176.1	-179	178.1	0	112.9	K290 K291 R292 R297	K290-K294 WeakPolarHBondContact O-CB 3.34Å; K290-K294 VanDerWaalsContact O-CG 3.25Å; K290-K294 WeakPolarHBondContact O-CG 3.41Å; K290-K294 PolarHBondContact O-N 3.41Å; K291-K294 PolarHBondContact O-N 3.38Å; R292-K294 VanDerWaalsContact C-N 3.33Å; R292-K294 PolarHBondContact O-N 2.82Å; K294-R297 VanDerWaalsContact O-CB 3.25Å; K294-R297 WeakPolarHBondContact O-CB 3.39Å; K294-R297 PolarHBondContact O-N 2.83Å
295	A	70.2	Confident	67.6	Low	81 Å²	81	82.2 Å²	82.2	67%	0.669	44%	0.438	S	S	*	.	H	α-helix	trans	-74.5	-34.7	176.4	0	0	0	0	0	111.7	K291 R292 R297	K291-A295 VanDerWaalsContact O-CB 3.31Å; K291-A295 WeakPolarHBondContact O-CB 3.46Å; K291-A295 PolarHBondContact O-N 2.81Å; R292-A295 WeakPolarHBondContact O-CB 3.26Å; R292-A295 PolarHBondContact O-N 2.79Å; A295-R297 PolarHBondContact O-N 2.99Å
296	D	63.4	Low	66	Low	129 Å²	129	82.9 Å²	82.9	69%	0.69	44%	0.442	S	S	*	.	S	Bend	trans	-73	-4.5	173.1	-65.1	-20.3	0	0	0	112.5	R292	R292-D296 PolarHBondContact O-N 3.25Å
297	R	63.3	Low	64.5	Low	69 Å²	69	83.3 Å²	83.3	26%	0.26	44%	0.444	S	S	.	.	S	Bend	trans	-82.9	123.8	180	-168.8	-176.6	170	174.3	-1.7	110.7	Y293 K294 A295 E301 E308 R356	Y293-R297 PolarHBondContact O-N 2.83Å; K294-R297 VanDerWaalsContact O-CB 3.25Å; K294-R297 WeakPolarHBondContact O-CB 3.39Å; K294-R297 PolarHBondContact O-N 2.83Å; A295-R297 PolarHBondContact O-N 2.99Å; R297-E301 VanDerWaalsContact CG-OE2 3.29Å; R297-E301 WeakPolarHBondContact CG-OE2 3.43Å; R297-E301 IonicContact CZ-OE2 3.23Å; R297-E301 IonicContact NE-OE2 3.63Å; R297-E301 PolarHBondContact NE-OE2 2.83Å; R297-E301 IonicContact NH2-OE2 2.86Å; R297-E301 PolarHBondContact NH2-OE2 3.44Å; R297-E308 IonicContact CZ-OE1 3.32Å; R297-E308 IonicContact CZ-OE2 2.75Å; R297-E308 IonicContact NH1-OE1 3.78Å; R297-E308 PolarHBondContact NH1-OE1 2.86Å; R297-E308 IonicContact NH1-OE2 3.74Å; R297-E308 PolarHBondContact NH1-OE2 2.77Å; R297-E308 VanDerWaalsContact NH1-OE2 3.08Å; R297-E308 IonicContact NH2-OE1 3.05Å; R297-E308 IonicContact NH2-OE2 2.65Å; R297-E308 PolarHBondContact NH2-OE2 2.97Å; R297-R356 VanDerWaalsContact NE-NH2 3.11Å
298	N	53.6	Low	63.5	Low	44 Å²	44	80.9 Å²	80.9	24%	0.235	43%	0.433	C	S	.	.			trans	-69.8	130.9	177.4	-75	-12.1	0	0	0	112.1	L300 E301 L497	N298-L300 PolarHBondContact O-N 2.92Å; N298-L300 VanDerWaalsContact O-N 3.12Å; N298-E301 PolarHBondContact O-N 2.8Å; N298-L497 VanDerWaalsContact ND2-C 3.29Å; N298-L497 PolarHBondContact ND2-O 2.9Å
299	P	44.3	Very low	62.5	Low	112 Å²	112	79.6 Å²	79.6	73%	0.727	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-66.7	-15.9	-175.4	25.1	-33.8	0	0	0	114.1	E301	P299-E301 VanDerWaalsContact C-N 3.33Å; P299-E301 PolarHBondContact O-N 2.81Å
300	L	42.5	Very low	61.6	Low	57 Å²	57	84.1 Å²	84.1	30%	0.298	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-81.5	-5.5	180	-70.1	172.2	0	0	0	114	N298 S302 L303 S500	N298-L300 PolarHBondContact O-N 2.92Å; N298-L300 VanDerWaalsContact O-N 3.12Å; L300-S302 PolarHBondContact O-N 3.45Å; L300-L303 VanDerWaalsContact O-CB 3.23Å; L300-L303 WeakPolarHBondContact O-CB 3.15Å; L300-L303 PolarHBondContact O-N 2.9Å; L300-S500 WeakPolarHBondContact CD1-O 3.29Å
301	E	48.9	Very low	60.8	Low	28 Å²	28	88.8 Å²	88.8	13%	0.131	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-59.8	-28.8	172.9	-76.4	-167.5	142	0	0	113.2	R297 N298 P299 L303 L304 R356 L497	R297-E301 VanDerWaalsContact CG-OE2 3.29Å; R297-E301 WeakPolarHBondContact CG-OE2 3.43Å; R297-E301 IonicContact CZ-OE2 3.23Å; R297-E301 IonicContact NE-OE2 3.63Å; R297-E301 PolarHBondContact NE-OE2 2.83Å; R297-E301 IonicContact NH2-OE2 2.86Å; R297-E301 PolarHBondContact NH2-OE2 3.44Å; N298-E301 PolarHBondContact O-N 2.8Å; P299-E301 VanDerWaalsContact C-N 3.33Å; P299-E301 PolarHBondContact O-N 2.81Å; E301-L303 PolarHBondContact O-N 2.88Å; E301-L304 PolarHBondContact O-N 2.84Å; E301-R356 IonicContact OE1-CZ 2.82Å; E301-R356 IonicContact OE1-NH1 3.3Å; E301-R356 PolarHBondContact OE1-NH1 2.78Å; E301-R356 IonicContact OE2-CZ 2.79Å; E301-R356 IonicContact OE2-NH1 3.25Å; E301-R356 PolarHBondContact OE2-NH1 2.93Å; E301-R356 IonicContact OE2-NH2 2.64Å; E301-R356 PolarHBondContact OE2-NH2 3.34Å; E301-L497 HydrophobicContact CG-CD2 3.92Å; E301-L497 WeakPolarHBondContact OE1-CD2 3.4Å
302	S	47.3	Very low	59.7	Low	106 Å²	106	85 Å²	85	74%	0.741	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-67.8	-18	174.8	-174.7	0	0	0	0	112.9	L300	L300-S302 PolarHBondContact O-N 3.45Å
303	L	36.5	Very low	58.6	Low	113 Å²	113	80.3 Å²	80.3	59%	0.592	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-86.1	-11.8	-179.5	-149.8	93.7	0	0	0	112.5	L300 E301 G305	L300-L303 VanDerWaalsContact O-CB 3.23Å; L300-L303 WeakPolarHBondContact O-CB 3.15Å; L300-L303 PolarHBondContact O-N 2.9Å; E301-L303 PolarHBondContact O-N 2.88Å; L303-G305 PolarHBondContact O-N 3.34Å
304	L	47	Very low	57.6	Low	67 Å²	67	79.9 Å²	79.9	35%	0.351	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	6.4	-176.9	-68.3	172	0	0	0	114.1	E301 T306 F416	E301-L304 PolarHBondContact O-N 2.84Å; L304-T306 PolarHBondContact O-N 3.14Å; L304-F416 HydrophobicContact CD2-CB 3.72Å
305	G	49.5	Very low	56.4	Low	63 Å²	63	76.1 Å²	76.1	65%	0.649	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	18.5	-171	0	0	0	0	0	112.9	L303 V307	L303-G305 PolarHBondContact O-N 3.34Å; G305-V307 PolarHBondContact O-N 2.83Å
306	T	57.2	Low	55.2	Low	23 Å²	23	80 Å²	80	14%	0.141	47%	0.472	C	S	.	.			trans	-70.5	116.8	177.5	-61.3	0	0	0	0	107.5	L304 E308 R356 Q358	L304-T306 PolarHBondContact O-N 3.14Å; T306-E308 PolarHBondContact O-N 3.33Å; T306-R356 HydrophobicContact CG2-CB 3.72Å; T306-R356 HydrophobicContact CG2-CG 4.15Å; T306-Q358 HydrophobicContact CG2-CG 4.03Å; T306-Q358 WeakPolarHBondContact OG1-CG 3.49Å; T306-Q358 PolarHBondContact OG1-NE2 3.48Å
307	V	57.6	Low	54.7	Low	81 Å²	81	79.6 Å²	79.6	49%	0.491	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	112.7	174.3	-170.1	0	0	0	0	107.5	G305 H309 T357	G305-V307 PolarHBondContact O-N 2.83Å; V307-H309 WeakPolarHBondContact CG1-CE1 3.48Å; V307-T357 PolarHBondContact N-O 3.03Å; V307-T357 PolarHBondContact O-N 3.08Å; V307-T357 VanDerWaalsContact O-N 3.14Å
308	E	66.4	Low	54.3	Low	61 Å²	61	81.5 Å²	81.5	29%	0.285	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123	177.5	-170.4	174.9	170.2	0	0	109.4	R297 T306 Q310 T354 I355 R356	R297-E308 IonicContact CZ-OE1 3.32Å; R297-E308 IonicContact CZ-OE2 2.75Å; R297-E308 IonicContact NH1-OE1 3.78Å; R297-E308 PolarHBondContact NH1-OE1 2.86Å; R297-E308 IonicContact NH1-OE2 3.74Å; R297-E308 PolarHBondContact NH1-OE2 2.77Å; R297-E308 VanDerWaalsContact NH1-OE2 3.08Å; R297-E308 IonicContact NH2-OE1 3.05Å; R297-E308 IonicContact NH2-OE2 2.65Å; R297-E308 PolarHBondContact NH2-OE2 2.97Å; T306-E308 PolarHBondContact O-N 3.33Å; E308-Q310 HydrophobicContact CG-CG 4.28Å; E308-Q310 PolarHBondContact OE1-NE2 2.64Å; E308-T354 HydrophobicContact CG-CG2 3.56Å; E308-T354 WeakPolarHBondContact OE1-CG2 3.21Å; E308-I355 WeakPolarHBondContact CA-O 3.38Å; E308-R356 HydrophobicContact CG-CG 4.32Å
309	H	67.3	Low	54.5	Low	101 Å²	101	82.6 Å²	82.6	47%	0.468	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.1	168.4	-64.5	85	0	0	0	108	V307 F311 T354 I355	V307-H309 WeakPolarHBondContact CG1-CE1 3.48Å; H309-F311 HydrophobicContact CB-CD2 4.48Å; H309-F311 HydrophobicContact CB-CE2 3.67Å; H309-F311 HydrophobicContact CB-CZ 4.02Å; H309-T354 WeakPolarHBondContact O-CA 3.4Å; H309-I355 PolarHBondContact N-O 2.85Å; H309-I355 PolarHBondContact O-N 3.47Å
310	Q	69.9	Low	54.8	Low	130 Å²	130	87.2 Å²	87.2	61%	0.607	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	125.3	173	-67.7	-180	7.4	0	0	108.9	E308 T354	E308-Q310 HydrophobicContact CG-CG 4.28Å; E308-Q310 PolarHBondContact OE1-NE2 2.64Å; Q310-T354 HydrophobicContact CG-CG2 4.15Å
311	F	70.4	Confident	55.4	Low	111 Å²	111	89.6 Å²	89.6	49%	0.487	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	110.2	171.3	-59.1	-89.3	0	0	0	106.5	H309 L353 I355	H309-F311 HydrophobicContact CB-CD2 4.48Å; H309-F311 HydrophobicContact CB-CE2 3.67Å; H309-F311 HydrophobicContact CB-CZ 4.02Å; F311-L353 HydrophobicContact CB-CB 4.31Å; F311-L353 HydrophobicContact CD2-CD2 4.49Å; F311-L353 HydrophobicContact CD2-CG 4.41Å; F311-L353 WeakPolarHBondContact CD2-O 3.26Å; F311-L353 PolarHBondContact N-O 3.22Å; F311-L353 PolarHBondContact O-N 3.25Å; F311-I355 HydrophobicContact CD2-CD1 4.44Å; F311-I355 HydrophobicContact CD2-CG1 4.37Å; F311-I355 HydrophobicContact CE2-CD1 3.81Å; F311-I355 HydrophobicContact CE2-CG1 4.02Å
312	G	60.3	Low	56	Low	65 Å²	65	90.2 Å²	90.2	67%	0.67	54%	0.539	S	S	*	.			trans	-69.7	160.6	178.5	0	0	0	0	0	111.9	Q314	G312-Q314 PolarHBondContact O-N 2.98Å
313	A	59.4	Low	57	Low	46 Å²	46	89.3 Å²	89.3	38%	0.38	53%	0.529	S	S	.	.			trans	-52.1	136	168.5	0	0	0	0	0	109.5	G315 P350 E352	A313-G315 PolarHBondContact O-N 3.16Å; A313-G315 VanDerWaalsContact O-N 3.16Å; A313-P350 HydrophobicContact CB-CB 4.21Å; A313-E352 HydrophobicContact CB-CG 3.94Å
314	Q	57.9	Low	58.5	Low	55 Å²	55	88 Å²	88	26%	0.257	53%	0.534	S	S	.	.			trans	-45.1	123.5	176.7	-70.5	154.3	-2.9	0	0	109.4	G312 D344 P350	G312-Q314 PolarHBondContact O-N 2.98Å; Q314-D344 PolarHBondContact NE2-O 2.81Å; Q314-P350 HydrophobicContact CB-CB 4.32Å
315	G	50.8	Low	59.8	Low	56 Å²	56	86.5 Å²	86.5	58%	0.577	53%	0.527	S	S	*	.			trans	-56.2	151.6	-180	0	0	0	0	0	112.2	A313 L317	A313-G315 PolarHBondContact O-N 3.16Å; A313-G315 VanDerWaalsContact O-N 3.16Å; G315-L317 VanDerWaalsContact C-N 3.34Å; G315-L317 WeakPolarHBondContact O-CG 3.34Å; G315-L317 PolarHBondContact O-N 3.2Å
316	D	46	Very low	61.4	Low	164 Å²	164	84.3 Å²	84.3	88%	0.877	50%	0.5	S	S	*	.	S	Bend	trans	-32.8	82.5	-176.7	-80.6	-26.4	0	0	0	115
317	L	53.1	Low	62.2	Low	119 Å²	119	84 Å²	84	62%	0.623	50%	0.498	S	S	*	.			trans	-124.9	36.2	174.1	-71.4	169.5	0	0	0	109.9	G315 T319	G315-L317 VanDerWaalsContact C-N 3.34Å; G315-L317 WeakPolarHBondContact O-CG 3.34Å; G315-L317 PolarHBondContact O-N 3.2Å; L317-T319 PolarHBondContact O-N 2.85Å
318	T	54.1	Low	63.2	Low	109 Å²	109	80.6 Å²	80.6	67%	0.669	48%	0.478	S	S	*	.			trans	-71	108.5	171.3	40.9	0	0	0	0	108.9
319	T	57.4	Low	64	Low	68 Å²	68	78.8 Å²	78.8	42%	0.417	47%	0.473	S	S	.	.			trans	-86.8	157.7	177.2	51.1	0	0	0	0	110.6	L317 C321 A322 A329	L317-T319 PolarHBondContact O-N 2.85Å; T319-C321 PolarHBondContact O-N 2.9Å; T319-A322 WeakPolarHBondContact O-CB 3.12Å; T319-A322 PolarHBondContact O-N 2.86Å; T319-A329 WeakPolarHBondContact OG1-CB 3.44Å
320	E	50.5	Low	65	Low	208 Å²	208	74.1 Å²	74.1	97%	0.972	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-15.4	-177.9	-68.9	-177.6	163.5	0	0	114.3
321	C	54.9	Low	65.9	Low	108 Å²	108	70.6 Å²	70.6	73%	0.73	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	12.1	177.9	-59.8	0	0	0	0	113.8	T319 A329	T319-C321 PolarHBondContact O-N 2.9Å; C321-A329 HydrophobicContact CB-CB 4.05Å
322	A	62.2	Low	66.8	Low	40 Å²	40	67 Å²	67	33%	0.331	43%	0.427	S	S	.	.			trans	-71.1	138	-176.3	0	0	0	0	0	112.9	T319 P327	T319-A322 WeakPolarHBondContact O-CB 3.12Å; T319-A322 PolarHBondContact O-N 2.86Å; A322-P327 WeakPolarHBondContact CB-O 3.46Å
323	T	68	Low	68	Low	87 Å²	87	67.9 Å²	67.9	53%	0.534	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-107	162	166.8	66.7	0	0	0	0	110	N325 N326	T323-N325 PolarHBondContact O-N 2.75Å; T323-N326 PolarHBondContact N-O 2.82Å; T323-N326 VanDerWaalsContact N-O 3.16Å; T323-N326 CarbonylContact O-C 3.4Å; T323-N326 PolarHBondContact O-N 3.08Å; T323-N326 WeakPolarHBondContact OG1-CB 3.46Å; T323-N326 PolarHBondContact OG1-N 3.24Å; T323-N326 VanDerWaalsContact OG1-N 3.15Å
324	A	68.6	Low	69.5	Low	85 Å²	85	68 Å²	68	70%	0.702	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-28.7	-179.8	0	0	0	0	0	113.6
325	N	74.8	Confident	71.1	Confident	36 Å²	36	65.4 Å²	65.4	19%	0.193	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	11	179.3	-55.8	-34.3	0	0	0	113	L51 T323 G348	L51-N325 WeakPolarHBondContact O-CB 3.15Å; L51-N325 PolarHBondContact O-ND2 3.17Å; T323-N325 PolarHBondContact O-N 2.75Å; N325-G348 WeakPolarHBondContact O-CA 3.26Å; N325-G348 PolarHBondContact O-N 3.19Å
326	N	81.8	Confident	73	Confident	18 Å²	18	62.9 Å²	62.9	10%	0.096	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-147.7	69	167.3	-174.5	7	0	0	0	108.7	T323 T328 A329 I330	T323-N326 PolarHBondContact N-O 2.82Å; T323-N326 VanDerWaalsContact N-O 3.16Å; T323-N326 CarbonylContact O-C 3.4Å; T323-N326 PolarHBondContact O-N 3.08Å; T323-N326 WeakPolarHBondContact OG1-CB 3.46Å; T323-N326 PolarHBondContact OG1-N 3.24Å; T323-N326 VanDerWaalsContact OG1-N 3.15Å; N326-T328 PolarHBondContact O-N 2.86Å; N326-A329 PolarHBondContact O-N 3.33Å; N326-A329 VanDerWaalsContact O-N 3.16Å; N326-A329 PolarHBondContact OD1-N 3.18Å; N326-I330 PolarHBondContact ND2-N 3.19Å; N326-I330 PolarHBondContact ND2-O 3.17Å; N326-I330 PolarHBondContact OD1-N 2.91Å
327	P	75.9	Confident	75.1	Confident	15 Å²	15	57.6 Å²	57.6	10%	0.097	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.1	-168.5	27.7	-36.5	0	0	0	113.1	A322 G348 P350	A322-P327 WeakPolarHBondContact CB-O 3.46Å; P327-G348 WeakPolarHBondContact CD-O 3.47Å; P327-G348 WeakPolarHBondContact CG-O 3.48Å; P327-P350 HydrophobicContact CB-CG 4.34Å; P327-P350 HydrophobicContact CG-CG 3.85Å
328	T	78.1	Confident	76.7	Confident	10 Å²	10	57.9 Å²	57.9	6%	0.061	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	10.3	179.3	68.8	0	0	0	0	112.9	N326 I330 R345	N326-T328 PolarHBondContact O-N 2.86Å; T328-I330 VanDerWaalsContact C-N 3.33Å; T328-I330 PolarHBondContact O-N 3.07Å; T328-I330 WeakPolarHBondContact OG1-CG1 3.37Å; T328-R345 HydrophobicContact CG2-CG 4.19Å; T328-R345 PolarHBondContact O-NH2 3.13Å; T328-R345 PolarHBondContact OG1-NE 3.29Å
329	A	83.3	Confident	78.3	Confident	23 Å²	23	61.5 Å²	61.5	19%	0.19	35%	0.35	C	S	.	.			trans	48.3	47.1	179.8	0	0	0	0	0	114.1	T319 C321 N326 T331	T319-A329 WeakPolarHBondContact OG1-CB 3.44Å; C321-A329 HydrophobicContact CB-CB 4.05Å; N326-A329 PolarHBondContact O-N 3.33Å; N326-A329 VanDerWaalsContact O-N 3.16Å; N326-A329 PolarHBondContact OD1-N 3.18Å; A329-T331 PolarHBondContact O-N 3.14Å
330	I	87.9	Confident	79.7	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.015	35%	0.345	C	S	.	.			trans	-61.3	130	172.8	-58.4	169.7	0	0	0	108.3	W18 N326 T328 E334 Y335 L342 R345 I347	W18-I330 HydrophobicContact CH2-CG2 4.46Å; W18-I330 WeakPolarHBondContact CZ2-O 3.36Å; N326-I330 PolarHBondContact ND2-N 3.19Å; N326-I330 PolarHBondContact ND2-O 3.17Å; N326-I330 PolarHBondContact OD1-N 2.91Å; T328-I330 VanDerWaalsContact C-N 3.33Å; T328-I330 PolarHBondContact O-N 3.07Å; T328-I330 WeakPolarHBondContact OG1-CG1 3.37Å; I330-E334 HydrophobicContact CG2-CB 4.02Å; I330-Y335 HydrophobicContact CG2-CD2 4.34Å; I330-L342 HydrophobicContact CD1-CD2 4.28Å; I330-L342 HydrophobicContact CG1-CD2 4.31Å; I330-L342 HydrophobicContact CG2-CD2 3.84Å; I330-R345 HydrophobicContact CD1-CB 4.13Å; I330-I347 HydrophobicContact CD1-CG2 4.18Å
331	T	88.6	Confident	81.4	Confident	56 Å²	56	57.5 Å²	57.5	34%	0.344	33%	0.329	S	S	.	.			trans	-84.3	158	176	68.9	0	0	0	0	110.8	A329 D333 E334 Y335	A329-T331 PolarHBondContact O-N 3.14Å; T331-D333 PolarHBondContact O-N 3.04Å; T331-E334 PolarHBondContact O-N 2.96Å; T331-E334 VanDerWaalsContact OG1-CG 3.29Å; T331-E334 WeakPolarHBondContact OG1-CG 3.41Å; T331-E334 PolarHBondContact OG1-N 3.35Å; T331-Y335 WeakPolarHBondContact O-CB 3.48Å; T331-Y335 PolarHBondContact O-N 2.91Å
332	P	88.4	Confident	82.8	Confident	36 Å²	36	53.1 Å²	53.1	23%	0.234	30%	0.298	C	S	.	.	H	α-helix	trans	-52.9	-41	172.6	-23.8	30.9	0	0	0	112.8	L15 W18 Y335 F336	L15-P332 HydrophobicContact CD1-CB 4.06Å; W18-P332 HydrophobicContact CG-CG 4.49Å; P332-Y335 PolarHBondContact O-N 3.43Å; P332-F336 HydrophobicContact CB-CD2 4.13Å; P332-F336 HydrophobicContact CB-CE2 4.27Å; P332-F336 WeakPolarHBondContact O-CB 3.29Å; P332-F336 WeakPolarHBondContact O-CD2 3.49Å; P332-F336 PolarHBondContact O-N 3.31Å
333	D	87.4	Confident	83.8	Confident	84 Å²	84	59.3 Å²	59.3	45%	0.449	32%	0.317	S	S	.	.	H	α-helix	trans	-67.8	-37.6	-178.1	-54.2	-38.3	0	0	0	111.9	T331 N337	T331-D333 PolarHBondContact O-N 3.04Å; D333-N337 WeakPolarHBondContact O-CB 3.32Å; D333-N337 PolarHBondContact O-N 2.9Å
334	E	89.9	Confident	84.3	Confident	49 Å²	49	62 Å²	62	23%	0.229	33%	0.329	C	S	.	.	H	α-helix	trans	-67.8	-40.7	171.6	-71.4	179.4	-178.6	0	0	111.5	R40 I330 T331 F340 L342 R345	R40-E334 PolarHBondContact NH2-O 3.46Å; R40-E334 VanDerWaalsContact NH2-O 3.16Å; I330-E334 HydrophobicContact CG2-CB 4.02Å; T331-E334 PolarHBondContact O-N 2.96Å; T331-E334 VanDerWaalsContact OG1-CG 3.29Å; T331-E334 WeakPolarHBondContact OG1-CG 3.41Å; T331-E334 PolarHBondContact OG1-N 3.35Å; E334-F340 HydrophobicContact CB-CD1 3.94Å; E334-F340 HydrophobicContact CB-CE1 3.85Å; E334-F340 HydrophobicContact CB-CG 4.48Å; E334-F340 HydrophobicContact CB-CZ 4.31Å; E334-F340 HydrophobicContact CG-CD1 4.19Å; E334-F340 HydrophobicContact CG-CE1 3.72Å; E334-F340 HydrophobicContact CG-CE2 4.1Å; E334-F340 HydrophobicContact CG-CZ 3.66Å; E334-L342 HydrophobicContact CB-CD2 4.29Å; E334-R345 IonicContact OE2-CZ 3.54Å; E334-R345 IonicContact OE2-NH1 2.57Å; E334-R345 PolarHBondContact OE2-NH1 3.47Å; E334-R345 VanDerWaalsContact OE2-NH1 3.1Å; E334-R345 IonicContact OE2-NH2 2.97Å; E334-R345 PolarHBondContact OE2-NH2 3.42Å
335	Y	91	Very high	85	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-70.1	-48.6	-175.2	-174.6	-95.7	0	0	0	112.5	W18 D38 R40 R42 L47 I330 T331 P332 L342 I347	W18-Y335 HydrophobicContact CE3-CD1 4.05Å; W18-Y335 HydrophobicContact CE3-CE1 4.46Å; W18-Y335 HydrophobicContact CE3-CG 4.22Å; W18-Y335 HydrophobicContact CH2-CD2 4.07Å; W18-Y335 AromaticContact CH2-CG 3.91Å; W18-Y335 HydrophobicContact CH2-CG 3.91Å; W18-Y335 AromaticContact CZ3-CD1 3.63Å; W18-Y335 HydrophobicContact CZ3-CD1 3.63Å; W18-Y335 AromaticContact CZ3-CD2 3.66Å; W18-Y335 HydrophobicContact CZ3-CD2 3.66Å; W18-Y335 HydrophobicContact CZ3-CE1 4.13Å; W18-Y335 HydrophobicContact CZ3-CE2 4.14Å; W18-Y335 AromaticContact CZ3-CG 3.38Å; W18-Y335 HydrophobicContact CZ3-CG 3.38Å; D38-Y335 WeakPolarHBondContact OD2-CE1 3.4Å; D38-Y335 VanDerWaalsContact OD2-CZ 3.28Å; D38-Y335 PolarHBondContact OD2-OH 2.95Å; R40-Y335 HydrophobicContact CG-CD2 4.43Å; R40-Y335 HydrophobicContact CG-CE1 4.23Å; R40-Y335 HydrophobicContact CG-CE2 3.85Å; R40-Y335 PolarHBondContact NE-O 2.89Å; R40-Y335 PolarHBondContact NH2-O 3.47Å; R40-Y335 VanDerWaalsContact NH2-O 3.11Å; R42-Y335 WeakPolarHBondContact CD-OH 3.41Å; R42-Y335 PolarHBondContact NH1-OH 3.09Å; L47-Y335 HydrophobicContact CD1-CE1 4.17Å; I330-Y335 HydrophobicContact CG2-CD2 4.34Å; T331-Y335 WeakPolarHBondContact O-CB 3.48Å; T331-Y335 PolarHBondContact O-N 2.91Å; P332-Y335 PolarHBondContact O-N 3.43Å; Y335-L342 HydrophobicContact CD2-CD1 4.46Å; Y335-I347 HydrophobicContact CD2-CG2 4.07Å; Y335-I347 HydrophobicContact CE2-CD1 3.92Å; Y335-I347 HydrophobicContact CE2-CG1 4.06Å; Y335-I347 HydrophobicContact CE2-CG2 4.06Å
336	F	91.8	Very high	85.6	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.009	31%	0.306	C	S	.	.	H	α-helix	trans	-84.3	-8	-175.4	-66.6	-64.3	0	0	0	113.7	Y11 H14 L15 W18 D38 P39 L47 P332 E338	Y11-F336 HydrophobicContact CD2-CB 4.45Å; Y11-F336 HydrophobicContact CD2-CD1 4.21Å; Y11-F336 HydrophobicContact CG-CD1 4.17Å; H14-F336 HydrophobicContact CB-CE1 3.52Å; H14-F336 HydrophobicContact CB-CZ 3.73Å; L15-F336 HydrophobicContact CD1-CE2 4.21Å; W18-F336 HydrophobicContact CB-CE2 4.41Å; W18-F336 HydrophobicContact CB-CZ 4.46Å; W18-F336 HydrophobicContact CD2-CE2 4.45Å; W18-F336 HydrophobicContact CE3-CE2 4.25Å; W18-F336 HydrophobicContact CE3-CZ 4.26Å; D38-F336 HydrophobicContact CB-CE1 4.38Å; P39-F336 HydrophobicContact CG-CD1 4.48Å; P39-F336 WeakPolarHBondContact CG-O 3.47Å; L47-F336 HydrophobicContact CD2-CZ 4.26Å; P332-F336 HydrophobicContact CB-CD2 4.13Å; P332-F336 HydrophobicContact CB-CE2 4.27Å; P332-F336 WeakPolarHBondContact O-CB 3.29Å; P332-F336 WeakPolarHBondContact O-CD2 3.49Å; P332-F336 PolarHBondContact O-N 3.31Å; F336-E338 PolarHBondContact O-N 3.01Å
337	N	90.1	Very high	85.9	Confident	54 Å²	54	60.1 Å²	60.1	29%	0.289	30%	0.301	S	S	.	.			trans	-80.7	108.9	173.2	-174.6	-8.9	0	0	0	111.2	A7 R40 D333 E339 F340	A7-N337 HydrophobicContact CB-CB 3.81Å; R40-N337 PolarHBondContact NH2-O 2.92Å; D333-N337 WeakPolarHBondContact O-CB 3.32Å; D333-N337 PolarHBondContact O-N 2.9Å; N337-E339 PolarHBondContact O-N 3.48Å; N337-E339 WeakPolarHBondContact OD1-CB 3.48Å; N337-E339 PolarHBondContact OD1-N 3.46Å; N337-F340 HydrophobicContact CB-CB 3.8Å; N337-F340 PolarHBondContact O-N 3.46Å; N337-F340 VanDerWaalsContact O-N 3.1Å; N337-F340 PolarHBondContact OD1-N 3.39Å
338	E	86.1	Confident	86.3	Confident	125 Å²	125	59.8 Å²	59.8	58%	0.584	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.3	176.9	-76.4	175.6	-154	0	0	113.3	Y11 P39 F336	Y11-E338 PolarHBondContact OH-OE1 3.39Å; P39-E338 HydrophobicContact CB-CG 3.61Å; P39-E338 HydrophobicContact CG-CG 3.97Å; F336-E338 PolarHBondContact O-N 3.01Å
339	E	87.5	Confident	86.6	Confident	185 Å²	185	63.8 Å²	63.8	86%	0.864	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-14.4	-179	-57.6	-174.2	169.2	0	0	112.9	N337 D341	N337-E339 PolarHBondContact O-N 3.48Å; N337-E339 WeakPolarHBondContact OD1-CB 3.48Å; N337-E339 PolarHBondContact OD1-N 3.46Å; E339-D341 PolarHBondContact O-N 2.82Å
340	F	87.9	Confident	86.7	Confident	75 Å²	75	64.6 Å²	64.6	33%	0.329	32%	0.318	S	S	.	.	S	Bend	trans	-79.8	118.3	179.2	-166.8	-89.2	0	0	0	110.8	R40 E334 N337 L342	R40-F340 PolarHBondContact NH2-O 3.3Å; E334-F340 HydrophobicContact CB-CD1 3.94Å; E334-F340 HydrophobicContact CB-CE1 3.85Å; E334-F340 HydrophobicContact CB-CG 4.48Å; E334-F340 HydrophobicContact CB-CZ 4.31Å; E334-F340 HydrophobicContact CG-CD1 4.19Å; E334-F340 HydrophobicContact CG-CE1 3.72Å; E334-F340 HydrophobicContact CG-CE2 4.1Å; E334-F340 HydrophobicContact CG-CZ 3.66Å; N337-F340 HydrophobicContact CB-CB 3.8Å; N337-F340 PolarHBondContact O-N 3.46Å; N337-F340 VanDerWaalsContact O-N 3.1Å; N337-F340 PolarHBondContact OD1-N 3.39Å; F340-L342 HydrophobicContact CD1-CD2 3.86Å; F340-L342 HydrophobicContact CD1-CG 4.25Å; F340-L342 HydrophobicContact CE1-CD2 3.9Å; F340-L342 PolarHBondContact O-N 2.96Å
341	D	85.4	Confident	86.6	Confident	116 Å²	116	66.5 Å²	66.5	62%	0.62	33%	0.326	S	S	*	.			trans	-81.9	103.5	177.6	-177.3	17.5	0	0	0	110.9	E339 K343	E339-D341 PolarHBondContact O-N 2.82Å; D341-K343 PolarHBondContact O-N 3.41Å; D341-K343 WeakPolarHBondContact OD1-CA 3.35Å; D341-K343 PolarHBondContact OD1-N 3.14Å
342	L	83.8	Confident	86.6	Confident	17 Å²	17	66 Å²	66	9%	0.089	32%	0.32	C	S	.	.			trans	-71.7	-5.9	173.7	-67.9	172.2	0	0	0	112.8	I330 E334 Y335 F340 D344 R345	I330-L342 HydrophobicContact CD1-CD2 4.28Å; I330-L342 HydrophobicContact CG1-CD2 4.31Å; I330-L342 HydrophobicContact CG2-CD2 3.84Å; E334-L342 HydrophobicContact CB-CD2 4.29Å; Y335-L342 HydrophobicContact CD2-CD1 4.46Å; F340-L342 HydrophobicContact CD1-CD2 3.86Å; F340-L342 HydrophobicContact CD1-CG 4.25Å; F340-L342 HydrophobicContact CE1-CD2 3.9Å; F340-L342 PolarHBondContact O-N 2.96Å; L342-D344 PolarHBondContact O-N 3.35Å; L342-R345 HydrophobicContact CB-CB 4.5Å; L342-R345 VanDerWaalsContact O-CB 3.29Å; L342-R345 WeakPolarHBondContact O-CB 3.21Å; L342-R345 PolarHBondContact O-N 3.02Å
343	K	84.2	Confident	86.6	Confident	169 Å²	169	65.9 Å²	65.9	74%	0.735	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	-121	-172.4	-59	175.3	178.6	177	0	109.6	D341	D341-K343 PolarHBondContact O-N 3.41Å; D341-K343 WeakPolarHBondContact OD1-CA 3.35Å; D341-K343 PolarHBondContact OD1-N 3.14Å
344	D	77.5	Confident	86.6	Confident	145 Å²	145	62.9 Å²	62.9	78%	0.775	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-1.9	178.8	-58.5	-46.1	0	0	0	113.3	Q314 L342	Q314-D344 PolarHBondContact NE2-O 2.81Å; L342-D344 PolarHBondContact O-N 3.35Å
345	R	83.2	Confident	86.4	Confident	68 Å²	68	62.4 Å²	62.4	26%	0.257	30%	0.301	S	S	.	.			trans	-73	142.4	179.9	-63.2	166.7	63.2	-155.9	5.9	110.9	T328 I330 E334 L342	T328-R345 HydrophobicContact CG2-CG 4.19Å; T328-R345 PolarHBondContact O-NH2 3.13Å; T328-R345 PolarHBondContact OG1-NE 3.29Å; I330-R345 HydrophobicContact CD1-CB 4.13Å; E334-R345 IonicContact OE2-CZ 3.54Å; E334-R345 IonicContact OE2-NH1 2.57Å; E334-R345 PolarHBondContact OE2-NH1 3.47Å; E334-R345 VanDerWaalsContact OE2-NH1 3.1Å; E334-R345 IonicContact OE2-NH2 2.97Å; E334-R345 PolarHBondContact OE2-NH2 3.42Å; L342-R345 HydrophobicContact CB-CB 4.5Å; L342-R345 VanDerWaalsContact O-CB 3.29Å; L342-R345 WeakPolarHBondContact O-CB 3.21Å; L342-R345 PolarHBondContact O-N 3.02Å
346	D	86.9	Confident	86	Confident	28 Å²	28	63.4 Å²	63.4	15%	0.15	30%	0.304	C	S	.	.			trans	-148.2	163.7	174.3	-163.1	7.1	0	0	0	109.7	R42 K351	R42-D346 IonicContact CZ-OD1 2.81Å; R42-D346 VanDerWaalsContact CZ-OD1 3.3Å; R42-D346 IonicContact CZ-OD2 3.3Å; R42-D346 IonicContact NH1-OD1 3.24Å; R42-D346 PolarHBondContact NH1-OD1 3.34Å; R42-D346 IonicContact NH1-OD2 2.77Å; R42-D346 IonicContact NH2-OD1 3.64Å; R42-D346 PolarHBondContact NH2-OD1 2.88Å; R42-D346 IonicContact NH2-OD2 2.92Å; R42-D346 PolarHBondContact NH2-OD2 3.41Å; D346-K351 IonicContact OD2-NZ 2.56Å; D346-K351 PolarHBondContact OD2-NZ 3.14Å
347	I	88.6	Confident	85.4	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.01	31%	0.313	C	S	.	.	S	Bend	trans	-78.2	164.9	168.5	59.2	168.5	0	0	0	110.7	W18 R42 L47 L51 I330 Y335	W18-I347 HydrophobicContact CH2-CG2 3.65Å; W18-I347 HydrophobicContact CZ3-CG2 3.83Å; R42-I347 VanDerWaalsContact NH1-CG1 3.34Å; L47-I347 HydrophobicContact CD1-CD1 3.38Å; L51-I347 HydrophobicContact CD2-CB 4.11Å; L51-I347 HydrophobicContact CD2-CD1 4.06Å; L51-I347 HydrophobicContact CD2-CG2 4.22Å; L51-I347 HydrophobicContact CG-CD1 4.17Å; I330-I347 HydrophobicContact CD1-CG2 4.18Å; Y335-I347 HydrophobicContact CD2-CG2 4.07Å; Y335-I347 HydrophobicContact CE2-CD1 3.92Å; Y335-I347 HydrophobicContact CE2-CG1 4.06Å; Y335-I347 HydrophobicContact CE2-CG2 4.06Å
348	G	85.7	Confident	84.7	Confident	8 Å²	8	65.3 Å²	65.3	8%	0.082	31%	0.314	C	S	.	.	S	Bend	trans	81.2	-170.8	-172.4	0	0	0	0	0	112.1	S50 N325 P327	S50-G348 VanDerWaalsContact O-CA 3.3Å; S50-G348 WeakPolarHBondContact O-CA 3.06Å; N325-G348 WeakPolarHBondContact O-CA 3.26Å; N325-G348 PolarHBondContact O-N 3.19Å; P327-G348 WeakPolarHBondContact CD-O 3.47Å; P327-G348 WeakPolarHBondContact CG-O 3.48Å
349	R	83.9	Confident	84.2	Confident	95 Å²	95	67 Å²	67	36%	0.358	32%	0.319	S	S	.	.	S	Bend	trans	-65.9	144.2	175	-63.1	-171.4	-176.5	-160.4	3.2	110.3	S83 T84 E283 K351	S83-R349 WeakPolarHBondContact O-CD 3.35Å; T84-R349 PolarHBondContact O-NE 3.22Å; T84-R349 VanDerWaalsContact O-NE 3.1Å; T84-R349 PolarHBondContact O-NH2 3.07Å; E283-R349 HydrophobicContact CG-CB 4.31Å; R349-K351 PolarHBondContact O-N 3.41Å
350	P	84.3	Confident	83.7	Confident	40 Å²	40	60.4 Å²	60.4	26%	0.26	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-58.4	123.2	175.1	-22.3	34.8	0	0	0	110.3	E283 A313 Q314 P327 E352	E283-P350 WeakPolarHBondContact CB-O 3.34Å; A313-P350 HydrophobicContact CB-CB 4.21Å; Q314-P350 HydrophobicContact CB-CB 4.32Å; P327-P350 HydrophobicContact CB-CG 4.34Å; P327-P350 HydrophobicContact CG-CG 3.85Å; P350-E352 PolarHBondContact O-N 2.88Å
351	K	85.9	Confident	83.4	Confident	42 Å²	42	63.2 Å²	63.2	18%	0.183	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-73.7	127.6	-172	-65.9	172.8	176.9	162.1	0	110.6	D346 R349	D346-K351 IonicContact OD2-NZ 2.56Å; D346-K351 PolarHBondContact OD2-NZ 3.14Å; R349-K351 PolarHBondContact O-N 3.41Å
352	E	88.8	Confident	83.5	Confident	47 Å²	47	58.1 Å²	58.1	22%	0.22	27%	0.273	C	S	.	.			trans	-99.5	93	167	-72	-177.7	-174.2	0	0	107.8	R281 T282 E283 K290 A313 P350	R281-E352 WeakPolarHBondContact CA-O 3.47Å; T282-E352 PolarHBondContact N-O 2.98Å; T282-E352 PolarHBondContact OG1-OE2 3.01Å; E283-E352 HydrophobicContact CB-CB 4.19Å; E283-E352 HydrophobicContact CB-CG 4.19Å; E283-E352 PolarHBondContact OE2-N 3.34Å; K290-E352 WeakPolarHBondContact CE-OE2 3.25Å; K290-E352 IonicContact NZ-OE1 3.42Å; K290-E352 PolarHBondContact NZ-OE1 3.29Å; K290-E352 IonicContact NZ-OE2 2.66Å; K290-E352 PolarHBondContact NZ-OE2 3.43Å; A313-E352 HydrophobicContact CB-CG 3.94Å; P350-E352 PolarHBondContact O-N 2.88Å
353	L	88.8	Confident	83.7	Confident	32 Å²	32	59.4 Å²	59.4	17%	0.168	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.6	-170	176.7	63.4	0	0	0	111	W75 K279 I280 R281 F311 I355	W75-L353 HydrophobicContact CZ2-CD1 3.86Å; K279-L353 HydrophobicContact CB-CD1 4.01Å; I280-L353 WeakPolarHBondContact O-CA 3.45Å; R281-L353 HydrophobicContact CG-CD1 4.02Å; F311-L353 HydrophobicContact CB-CB 4.31Å; F311-L353 HydrophobicContact CD2-CD2 4.49Å; F311-L353 HydrophobicContact CD2-CG 4.41Å; F311-L353 WeakPolarHBondContact CD2-O 3.26Å; F311-L353 PolarHBondContact N-O 3.22Å; F311-L353 PolarHBondContact O-N 3.25Å; L353-I355 HydrophobicContact CD1-CG1 4.2Å; L353-I355 HydrophobicContact CD2-CD1 3.88Å; L353-I355 HydrophobicContact CD2-CG1 3.88Å; L353-I355 HydrophobicContact CG-CD1 4.38Å; L353-I355 HydrophobicContact CG-CG1 3.82Å
354	T	87.2	Confident	84	Confident	22 Å²	22	51.5 Å²	51.5	14%	0.135	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.1	165.9	-58.3	0	0	0	0	109.1	K279 I280 E308 H309 Q310 R356	K279-T354 WeakPolarHBondContact CA-O 3.31Å; I280-T354 PolarHBondContact N-O 3.04Å; I280-T354 PolarHBondContact O-N 2.97Å; E308-T354 HydrophobicContact CG-CG2 3.56Å; E308-T354 WeakPolarHBondContact OE1-CG2 3.21Å; H309-T354 WeakPolarHBondContact O-CA 3.4Å; Q310-T354 HydrophobicContact CG-CG2 4.15Å; T354-R356 HydrophobicContact CG2-CG 4.26Å
355	I	86.3	Confident	84.8	Confident	38 Å²	38	45 Å²	45	20%	0.195	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.9	173.7	-52.5	-176.9	0	0	0	108.5	I277 K279 E308 H309 F311 L353	I277-I355 HydrophobicContact CG2-CG2 3.74Å; K279-I355 HydrophobicContact CG-CG1 4.39Å; E308-I355 WeakPolarHBondContact CA-O 3.38Å; H309-I355 PolarHBondContact N-O 2.85Å; H309-I355 PolarHBondContact O-N 3.47Å; F311-I355 HydrophobicContact CD2-CD1 4.44Å; F311-I355 HydrophobicContact CD2-CG1 4.37Å; F311-I355 HydrophobicContact CE2-CD1 3.81Å; F311-I355 HydrophobicContact CE2-CG1 4.02Å; L353-I355 HydrophobicContact CD1-CG1 4.2Å; L353-I355 HydrophobicContact CD2-CD1 3.88Å; L353-I355 HydrophobicContact CD2-CG1 3.88Å; L353-I355 HydrophobicContact CG-CD1 4.38Å; L353-I355 HydrophobicContact CG-CG1 3.82Å
356	R	81.4	Confident	85.2	Confident	21 Å²	21	41.7 Å²	41.7	8%	0.079	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.8	173.7	-63	-178.9	-176.6	-173.1	1.1	108.9	I277 T278 R297 E301 T306 E308 T354	I277-R356 WeakPolarHBondContact CA-O 3.24Å; T278-R356 PolarHBondContact N-O 3.16Å; T278-R356 PolarHBondContact O-N 3.38Å; R297-R356 VanDerWaalsContact NE-NH2 3.11Å; E301-R356 IonicContact OE1-CZ 2.82Å; E301-R356 IonicContact OE1-NH1 3.3Å; E301-R356 PolarHBondContact OE1-NH1 2.78Å; E301-R356 IonicContact OE2-CZ 2.79Å; E301-R356 IonicContact OE2-NH1 3.25Å; E301-R356 PolarHBondContact OE2-NH1 2.93Å; E301-R356 IonicContact OE2-NH2 2.64Å; E301-R356 PolarHBondContact OE2-NH2 3.34Å; T306-R356 HydrophobicContact CG2-CB 3.72Å; T306-R356 HydrophobicContact CG2-CG 4.15Å; E308-R356 HydrophobicContact CG-CG 4.32Å; T354-R356 HydrophobicContact CG2-CG 4.26Å
357	T	80.2	Confident	85.5	Confident	30 Å²	30	40.7 Å²	40.7	18%	0.184	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118.1	176	-58.1	0	0	0	0	109.3	N275 I277 V307 K359	N275-T357 HydrophobicContact CB-CG2 4.21Å; I277-T357 HydrophobicContact CG1-CG2 4.45Å; V307-T357 PolarHBondContact N-O 3.03Å; V307-T357 PolarHBondContact O-N 3.08Å; V307-T357 VanDerWaalsContact O-N 3.14Å; T357-K359 HydrophobicContact CG2-CG 4.18Å
358	Q	74.6	Confident	85.5	Confident	67 Å²	67	45.6 Å²	45.6	31%	0.313	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.4	173	-71.2	179.8	-8.8	0	0	108.9	N275 V276 T306	N275-Q358 CarbonylContact C-O 3.56Å; N275-Q358 WeakPolarHBondContact CA-O 3.48Å; V276-Q358 PolarHBondContact N-O 3.03Å; V276-Q358 PolarHBondContact O-N 3.26Å; T306-Q358 HydrophobicContact CG2-CG 4.03Å; T306-Q358 WeakPolarHBondContact OG1-CG 3.49Å; T306-Q358 PolarHBondContact OG1-NE2 3.48Å
359	K	77.1	Confident	85.6	Confident	160 Å²	160	53.7 Å²	53.7	70%	0.696	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.9	178.7	-56.4	-162.6	172.4	177.7	0	109.1	V274 N275 T357	V274-K359 WeakPolarHBondContact O-CA 3.38Å; N275-K359 VanDerWaalsContact OD1-CD 3.31Å; N275-K359 WeakPolarHBondContact OD1-CD 3.25Å; N275-K359 WeakPolarHBondContact OD1-CE 3.48Å; N275-K359 WeakPolarHBondContact OD1-CG 3.48Å; T357-K359 HydrophobicContact CG2-CG 4.18Å
360	F	75.7	Confident	85.6	Confident	46 Å²	46	49.9 Å²	49.9	20%	0.202	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	164.5	174.3	66.3	-100.6	0	0	0	112.1	V274 V276 A362 I413 P414	V274-F360 HydrophobicContact CB-CD2 3.98Å; V274-F360 HydrophobicContact CB-CE1 4.48Å; V274-F360 HydrophobicContact CB-CE2 3.73Å; V274-F360 HydrophobicContact CB-CG 4.43Å; V274-F360 HydrophobicContact CB-CZ 4.02Å; V274-F360 HydrophobicContact CG1-CD2 4.2Å; V274-F360 HydrophobicContact CG1-CE1 3.89Å; V274-F360 HydrophobicContact CG1-CE2 3.49Å; V274-F360 VanDerWaalsContact CG1-CE2 3.49Å; V274-F360 HydrophobicContact CG1-CZ 3.32Å; V274-F360 HydrophobicContact CG2-CE2 4.22Å; V274-F360 PolarHBondContact N-O 2.77Å; V274-F360 PolarHBondContact O-N 2.93Å; V276-F360 HydrophobicContact CG2-CD1 4.5Å; V276-F360 HydrophobicContact CG2-CE1 3.58Å; V276-F360 HydrophobicContact CG2-CZ 4.32Å; F360-A362 HydrophobicContact CD2-CB 4.35Å; F360-A362 HydrophobicContact CE2-CB 4.14Å; F360-I413 HydrophobicContact CD2-CG2 4.05Å; F360-I413 HydrophobicContact CE2-CG2 3.59Å; F360-I413 HydrophobicContact CZ-CG2 3.9Å; F360-P414 HydrophobicContact CB-CG 4.13Å; F360-P414 HydrophobicContact CD2-CG 4.48Å
361	K	82.9	Confident	85.6	Confident	135 Å²	135	50.9 Å²	50.9	59%	0.587	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	113	174.9	-66.9	-176.3	177.1	-173.6	0	108.2	T270 V271 P414	T270-K361 HydrophobicContact CG2-CB 4.45Å; V271-K361 WeakPolarHBondContact O-CA 3.5Å; K361-P414 WeakPolarHBondContact O-CD 3.45Å; K361-P414 WeakPolarHBondContact O-CG 3.47Å
362	A	85.6	Confident	85.5	Confident	8 Å²	8	49.2 Å²	49.2	7%	0.066	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	162.5	175.2	0	0	0	0	0	110.6	V271 F360 E412 I413	V271-A362 HydrophobicContact CB-CB 4.11Å; V271-A362 HydrophobicContact CG2-CB 4.3Å; V271-A362 PolarHBondContact N-O 3.02Å; V271-A362 PolarHBondContact O-N 3.44Å; V271-A362 VanDerWaalsContact O-N 3.14Å; F360-A362 HydrophobicContact CD2-CB 4.35Å; F360-A362 HydrophobicContact CE2-CB 4.14Å; A362-E412 CarbonylContact C-O 3.6Å; A362-E412 WeakPolarHBondContact CA-O 3.24Å; A362-I413 HydrophobicContact CB-CG1 4.27Å
363	M	88.7	Confident	85.3	Confident	45 Å²	45	48.7 Å²	48.7	22%	0.222	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.1	173.2	-61	-68.2	-64	0	0	109.1	T246 V268 Y269 T270 W365 E412	T246-M363 HydrophobicContact CG2-CE 4.3Å; T246-M363 WeakPolarHBondContact OG1-CE 3.5Å; V268-M363 HydrophobicContact CG1-CE 3.57Å; Y269-M363 CarbonylContact O-C 3.57Å; Y269-M363 WeakPolarHBondContact O-CA 3.47Å; T270-M363 HydrophobicContact CG2-SD 3.9Å; T270-M363 PolarHBondContact OG1-SD 3.39Å; M363-W365 HydrophobicContact CB-CE3 4.27Å; M363-W365 HydrophobicContact CB-CH2 3.49Å; M363-W365 VanDerWaalsContact CB-CH2 3.49Å; M363-W365 HydrophobicContact CB-CZ3 3.35Å; M363-W365 HydrophobicContact CG-CH2 4.38Å; M363-W365 WeakPolarHBondContact O-CZ3 3.11Å; M363-E412 HydrophobicContact CB-CB 4.27Å; M363-E412 PolarHBondContact N-O 3.47Å; M363-E412 PolarHBondContact O-N 2.88Å
364	L	91.5	Very high	84.9	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.4	-174.8	-168.5	67.9	0	0	0	109.7	F243 Y269 V271 M366 F403 P408 I411	F243-L364 HydrophobicContact CD1-CD2 4.49Å; F243-L364 HydrophobicContact CE1-CD2 4.18Å; Y269-L364 PolarHBondContact N-O 3.21Å; Y269-L364 PolarHBondContact O-N 3.13Å; V271-L364 HydrophobicContact CG2-CB 4.14Å; L364-M366 HydrophobicContact CD1-SD 4.11Å; L364-M366 HydrophobicContact CD2-CE 4.37Å; L364-M366 HydrophobicContact CD2-CG 3.89Å; L364-M366 HydrophobicContact CD2-SD 3.35Å; L364-M366 WeakPolarHBondContact CD2-SD 3.35Å; L364-M366 HydrophobicContact CG-CG 3.98Å; L364-M366 HydrophobicContact CG-SD 3.45Å; L364-M366 WeakPolarHBondContact CG-SD 3.31Å; L364-F403 HydrophobicContact CD2-CD1 3.73Å; L364-F403 HydrophobicContact CD2-CE1 4.01Å; L364-P408 HydrophobicContact CD1-CB 3.74Å; L364-I411 HydrophobicContact CD1-CB 4.43Å; L364-I411 HydrophobicContact CD1-CG1 3.72Å; L364-I411 HydrophobicContact CD1-CG2 4.44Å
365	W	93.4	Very high	84.5	Confident	8 Å²	8	51.9 Å²	51.9	3%	0.03	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	112.6	176.7	-72.9	-110.7	0	0	0	108.3	E259 V261 A266 K267 V268 M363 P408 V409 K410 E412	E259-W365 PolarHBondContact OE2-NE1 3.21Å; V261-W365 HydrophobicContact CG2-CB 4.44Å; V261-W365 HydrophobicContact CG2-CG 4.2Å; A266-W365 HydrophobicContact CB-CB 3.84Å; K267-W365 WeakPolarHBondContact O-CA 3.34Å; V268-W365 HydrophobicContact CG1-CD2 4.45Å; V268-W365 HydrophobicContact CG1-CZ2 4.29Å; V268-W365 HydrophobicContact CG2-CG 4.41Å; M363-W365 HydrophobicContact CB-CE3 4.27Å; M363-W365 HydrophobicContact CB-CH2 3.49Å; M363-W365 VanDerWaalsContact CB-CH2 3.49Å; M363-W365 HydrophobicContact CB-CZ3 3.35Å; M363-W365 HydrophobicContact CG-CH2 4.38Å; M363-W365 WeakPolarHBondContact O-CZ3 3.11Å; W365-P408 CarbonylContact O-C 3.56Å; W365-P408 WeakPolarHBondContact O-CA 3.5Å; W365-V409 HydrophobicContact CB-CG2 3.97Å; W365-V409 WeakPolarHBondContact O-CG2 3.47Å; W365-V409 PolarHBondContact O-N 2.86Å; W365-K410 HydrophobicContact CB-CB 3.89Å; W365-K410 HydrophobicContact CD2-CB 4.05Å; W365-K410 HydrophobicContact CD2-CD 3.76Å; W365-K410 HydrophobicContact CD2-CG 3.95Å; W365-K410 HydrophobicContact CE3-CB 3.96Å; W365-K410 HydrophobicContact CE3-CD 3.78Å; W365-K410 HydrophobicContact CE3-CG 3.59Å; W365-K410 HydrophobicContact CG-CB 4.04Å; W365-K410 HydrophobicContact CG-CD 4.29Å; W365-K410 HydrophobicContact CG-CG 4.44Å; W365-K410 HydrophobicContact CH2-CD 4.19Å; W365-K410 HydrophobicContact CZ2-CD 4.16Å; W365-K410 VanDerWaalsContact CZ2-NZ 3.32Å; W365-K410 HydrophobicContact CZ3-CD 3.99Å; W365-K410 HydrophobicContact CZ3-CG 3.96Å; W365-K410 PolarHBondContact N-O 3.22Å; W365-E412 HydrophobicContact CH2-CB 3.97Å; W365-E412 HydrophobicContact CZ3-CB 3.62Å
366	M	92.8	Very high	84.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.6	-174.2	-59.1	-57.5	-76.6	0	0	110.6	A266 K267 Y269 L364 F403 P404 G406 F407 P408	A266-M366 CarbonylContact C-O 3.54Å; A266-M366 WeakPolarHBondContact CA-O 3.33Å; K267-M366 PolarHBondContact N-O 3.01Å; K267-M366 PolarHBondContact O-N 3.47Å; Y269-M366 HydrophobicContact CD2-CB 4.2Å; Y269-M366 HydrophobicContact CD2-CG 3.83Å; Y269-M366 HydrophobicContact CE2-CB 4.01Å; Y269-M366 HydrophobicContact CE2-CG 4.04Å; L364-M366 HydrophobicContact CD1-SD 4.11Å; L364-M366 HydrophobicContact CD2-CE 4.37Å; L364-M366 HydrophobicContact CD2-CG 3.89Å; L364-M366 HydrophobicContact CD2-SD 3.35Å; L364-M366 WeakPolarHBondContact CD2-SD 3.35Å; L364-M366 HydrophobicContact CG-CG 3.98Å; L364-M366 HydrophobicContact CG-SD 3.45Å; L364-M366 WeakPolarHBondContact CG-SD 3.31Å; M366-F403 HydrophobicContact CE-CB 4Å; M366-P404 WeakPolarHBondContact CE-O 3.11Å; M366-P404 HydrophobicContact CG-CB 4.2Å; M366-P404 HydrophobicContact CG-CG 4.4Å; M366-G406 WeakPolarHBondContact CE-O 3.46Å; M366-F407 WeakPolarHBondContact CA-O 3.26Å; M366-P408 HydrophobicContact CE-CB 4.47Å; M366-P408 VanDerWaalsContact SD-CA 3.56Å; M366-P408 HydrophobicContact SD-CB 3.74Å
367	C	92.5	Very high	84.1	Confident	6 Å²	6	55.9 Å²	55.9	4%	0.041	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.1	176.8	-173.9	0	0	0	0	110.1	E265 A266 F370 G406 F407 V409	E265-C367 PolarHBondContact O-SG 3.27Å; E265-C367 VanDerWaalsContact O-SG 3.33Å; A266-C367 HydrophobicContact CB-CB 4.47Å; C367-F370 HydrophobicContact CB-CB 4.21Å; C367-G406 CarbonylContact O-C 3.14Å; C367-G406 VanDerWaalsContact O-CA 3.26Å; C367-G406 WeakPolarHBondContact O-CA 3.38Å; C367-F407 PolarHBondContact N-O 3.46Å; C367-F407 PolarHBondContact O-N 2.87Å; C367-V409 HydrophobicContact CB-CG1 3.62Å; C367-V409 HydrophobicContact CB-CG2 4.33Å
368	E	89.1	Confident	84.1	Confident	105 Å²	105	55.7 Å²	55.7	49%	0.491	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-27.6	-179.9	-74.1	168.6	-159.1	0	0	112.5	K267 P405	K267-E368 IonicContact NZ-OE1 2.81Å; K267-E368 PolarHBondContact NZ-OE1 3.3Å; K267-E368 IonicContact NZ-OE2 3.1Å; K267-E368 PolarHBondContact NZ-OE2 3.44Å; E368-P405 HydrophobicContact CG-CB 4.44Å
369	E	86.1	Confident	84.3	Confident	178 Å²	178	53.8 Å²	53.8	83%	0.832	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	25.7	-178.1	-59.1	-174.5	173.8	0	0	112.3
370	F	85.2	Confident	84.5	Confident	16 Å²	16	46.8 Å²	46.8	7%	0.07	24%	0.238	C	C	.	.			trans	-73.1	141.3	177.7	-163.8	-112.5	0	0	0	110.5	Y264 C367 L372 F407 V409 F425 V428	Y264-F370 HydrophobicContact CD1-CD2 4.03Å; Y264-F370 HydrophobicContact CD2-CD2 4.02Å; Y264-F370 AromaticContact CD2-CE2 3.85Å; Y264-F370 HydrophobicContact CD2-CE2 3.85Å; Y264-F370 HydrophobicContact CE1-CD2 4.14Å; Y264-F370 HydrophobicContact CE2-CD2 4.12Å; Y264-F370 AromaticContact CE2-CE2 3.77Å; Y264-F370 HydrophobicContact CE2-CE2 3.77Å; Y264-F370 AromaticContact CG-CD2 3.98Å; Y264-F370 HydrophobicContact CG-CD2 3.98Å; Y264-F370 HydrophobicContact CG-CE2 4.29Å; C367-F370 HydrophobicContact CB-CB 4.21Å; F370-L372 HydrophobicContact CD1-CB 3.77Å; F370-L372 HydrophobicContact CD1-CG 4.27Å; F370-L372 HydrophobicContact CE1-CB 3.77Å; F370-L372 HydrophobicContact CE1-CD1 3.95Å; F370-L372 HydrophobicContact CE1-CG 3.89Å; F370-L372 PolarHBondContact O-N 2.72Å; F370-L372 VanDerWaalsContact O-N 3.1Å; F370-F407 HydrophobicContact CB-CB 3.59Å; F370-F407 HydrophobicContact CB-CG 4.26Å; F370-F407 HydrophobicContact CD1-CB 3.59Å; F370-F407 AromaticContact CD1-CD1 3.26Å; F370-F407 HydrophobicContact CD1-CD1 3.26Å; F370-F407 AromaticContact CD1-CD2 3.83Å; F370-F407 HydrophobicContact CD1-CD2 3.83Å; F370-F407 AromaticContact CD1-CE1 3.85Å; F370-F407 HydrophobicContact CD1-CE1 3.85Å; F370-F407 HydrophobicContact CD1-CE2 4.33Å; F370-F407 AromaticContact CD1-CG 3.26Å; F370-F407 HydrophobicContact CD1-CG 3.26Å; F370-F407 HydrophobicContact CD1-CZ 4.35Å; F370-F407 AromaticContact CE1-CD1 3.3Å; F370-F407 HydrophobicContact CE1-CD1 3.3Å; F370-F407 HydrophobicContact CE1-CD2 4.19Å; F370-F407 AromaticContact CE1-CE1 3.38Å; F370-F407 HydrophobicContact CE1-CE1 3.38Å; F370-F407 HydrophobicContact CE1-CE2 4.25Å; F370-F407 AromaticContact CE1-CG 3.74Å; F370-F407 HydrophobicContact CE1-CG 3.74Å; F370-F407 AromaticContact CE1-CZ 3.87Å; F370-F407 HydrophobicContact CE1-CZ 3.87Å; F370-F407 HydrophobicContact CG-CB 3.84Å; F370-F407 AromaticContact CG-CD1 3.93Å; F370-F407 HydrophobicContact CG-CD1 3.93Å; F370-F407 AromaticContact CG-CG 3.98Å; F370-F407 HydrophobicContact CG-CG 3.98Å; F370-F407 HydrophobicContact CZ-CD1 4.02Å; F370-F407 HydrophobicContact CZ-CE1 4.02Å; F370-V409 HydrophobicContact CB-CG1 4.43Å; F370-V409 HydrophobicContact CD2-CG1 3.35Å; F370-V409 HydrophobicContact CE2-CG1 3.56Å; F370-V409 HydrophobicContact CG-CG1 3.89Å; F370-V409 HydrophobicContact CZ-CG1 4.21Å; F370-F425 HydrophobicContact CZ-CB 4.17Å; F370-V428 HydrophobicContact CE1-CG2 3.86Å; F370-V428 HydrophobicContact CE2-CG2 3.96Å; F370-V428 HydrophobicContact CZ-CG2 3.31Å
371	P	83.9	Confident	84.4	Confident	60 Å²	60	45.6 Å²	45.6	39%	0.39	23%	0.233	S	C	.	.	S	Bend	trans	-70.4	-10.3	-174.6	-10.6	24.6	0	0	0	113.8	Y264 V428	Y264-P371 HydrophobicContact CE1-CG 4Å; Y264-P371 WeakPolarHBondContact OH-CG 3.41Å; P371-V428 HydrophobicContact CB-CG1 3.86Å; P371-V428 HydrophobicContact CG-CB 4.25Å; P371-V428 HydrophobicContact CG-CG1 3.95Å
372	L	84.3	Confident	84	Confident	7 Å²	7	39.8 Å²	39.8	4%	0.037	21%	0.209	C	C	.	.	S	Bend	trans	-108.7	135.9	177.3	-55	179.4	0	0	0	111.8	F122 V124 F370 Q377 F407 V428	F122-L372 HydrophobicContact CB-CD2 3.44Å; F122-L372 VanDerWaalsContact CB-CD2 3.44Å; F122-L372 HydrophobicContact CD1-CD2 4.33Å; F122-L372 HydrophobicContact CD2-CD1 4.05Å; F122-L372 HydrophobicContact CD2-CD2 3.97Å; F122-L372 HydrophobicContact CE2-CD1 4.46Å; F122-L372 HydrophobicContact CG-CD2 3.68Å; V124-L372 HydrophobicContact CB-CD1 3.84Å; V124-L372 HydrophobicContact CG1-CD1 4.28Å; V124-L372 HydrophobicContact CG2-CD1 3.96Å; F370-L372 HydrophobicContact CD1-CB 3.77Å; F370-L372 HydrophobicContact CD1-CG 4.27Å; F370-L372 HydrophobicContact CE1-CB 3.77Å; F370-L372 HydrophobicContact CE1-CD1 3.95Å; F370-L372 HydrophobicContact CE1-CG 3.89Å; F370-L372 PolarHBondContact O-N 2.72Å; F370-L372 VanDerWaalsContact O-N 3.1Å; L372-Q377 VanDerWaalsContact CA-OE1 3.24Å; L372-F407 HydrophobicContact CB-CD2 4.25Å; L372-F407 HydrophobicContact CB-CE2 4.08Å; L372-F407 VanDerWaalsContact O-CD2 3.29Å; L372-F407 WeakPolarHBondContact O-CD2 3.2Å; L372-V428 HydrophobicContact CD1-CG1 4.12Å; L372-V428 HydrophobicContact CD1-CG2 4.01Å; L372-V428 HydrophobicContact CD2-CG1 3.9Å; L372-V428 HydrophobicContact CG-CG1 3.78Å; L372-V428 HydrophobicContact CG-CG2 4.29Å
373	S	83.9	Confident	83.4	Confident	37 Å²	37	40.8 Å²	40.8	26%	0.259	21%	0.213	S	C	.	.			trans	-90.1	120.1	169	177.8	0	0	0	0	109.8	V375 E376 Q377 V378	S373-V375 VanDerWaalsContact C-N 3.25Å; S373-V375 PolarHBondContact O-N 3.02Å; S373-E376 PolarHBondContact OG-N 3.15Å; S373-Q377 WeakPolarHBondContact O-CB 3.23Å; S373-Q377 PolarHBondContact O-N 2.8Å; S373-V378 PolarHBondContact O-N 3.33Å
374	L	80.6	Confident	82.5	Confident	19 Å²	19	39.6 Å²	39.6	10%	0.099	21%	0.208	C	C	.	.	I	π-helix	trans	-58.6	-43.6	175.3	-173.9	67.2	0	0	0	110.2	V378 I379 I399 F403 F407 P408	L374-V378 HydrophobicContact CD1-CB 4.07Å; L374-V378 HydrophobicContact CD1-CG1 4.04Å; L374-V378 WeakPolarHBondContact O-CB 3.34Å; L374-V378 PolarHBondContact O-N 2.92Å; L374-I379 WeakPolarHBondContact O-CG1 3.47Å; L374-I379 PolarHBondContact O-N 3.36Å; L374-I399 HydrophobicContact CD1-CD1 4.49Å; L374-I399 HydrophobicContact CD1-CG2 4.07Å; L374-I399 HydrophobicContact CD2-CG2 3.75Å; L374-I399 HydrophobicContact CG-CG2 3.85Å; L374-F403 HydrophobicContact CD2-CD2 3.76Å; L374-F403 HydrophobicContact CD2-CE2 4.05Å; L374-F407 HydrophobicContact CB-CD2 3.92Å; L374-F407 HydrophobicContact CB-CE2 4.21Å; L374-F407 HydrophobicContact CD1-CD2 4.47Å; L374-F407 HydrophobicContact CD1-CE2 4.05Å; L374-P408 HydrophobicContact CD1-CG 4.47Å; L374-P408 HydrophobicContact CD2-CG 4.34Å
375	V	78.4	Confident	81.2	Confident	101 Å²	101	42.5 Å²	42.5	61%	0.612	22%	0.222	S	C	*	.	I	π-helix	trans	-74.7	-44.1	-174.1	-179.1	0	0	0	0	112.3	S373 I379	S373-V375 VanDerWaalsContact C-N 3.25Å; S373-V375 PolarHBondContact O-N 3.02Å; V375-I379 HydrophobicContact CB-CD1 4.43Å; V375-I379 HydrophobicContact CG2-CD1 4.28Å
376	E	80.1	Confident	79.8	Confident	132 Å²	132	42.5 Å²	42.5	62%	0.617	22%	0.224	S	C	*	.	I	π-helix	trans	-86.7	-33.2	-172.5	-61.9	174.7	166.8	0	0	112.7	S373	S373-E376 PolarHBondContact OG-N 3.15Å
377	Q	80.3	Confident	78.5	Confident	11 Å²	11	46.8 Å²	46.8	5%	0.051	24%	0.24	C	C	.	.	I	π-helix	trans	-108	-40.1	-172.9	-68.2	172.5	-62.9	0	0	113.3	P120 F122 L372 S373 I381	P120-Q377 HydrophobicContact CG-CG 4.49Å; P120-Q377 PolarHBondContact O-NE2 3.18Å; F122-Q377 HydrophobicContact CD1-CB 4.25Å; F122-Q377 HydrophobicContact CD1-CG 4.49Å; F122-Q377 HydrophobicContact CE1-CB 4.01Å; L372-Q377 VanDerWaalsContact CA-OE1 3.24Å; S373-Q377 WeakPolarHBondContact O-CB 3.23Å; S373-Q377 PolarHBondContact O-N 2.8Å; Q377-I381 WeakPolarHBondContact O-CD1 3.21Å
378	V	79.8	Confident	76.5	Confident	26 Å²	26	50.5 Å²	50.5	16%	0.158	26%	0.262	C	S	.	.	I	π-helix	trans	-92	-43	-171.1	-179.8	0	0	0	0	112.2	S373 L374 I381 I382 F407	S373-V378 PolarHBondContact O-N 3.33Å; L374-V378 HydrophobicContact CD1-CB 4.07Å; L374-V378 HydrophobicContact CD1-CG1 4.04Å; L374-V378 WeakPolarHBondContact O-CB 3.34Å; L374-V378 PolarHBondContact O-N 2.92Å; V378-I381 PolarHBondContact O-N 3.12Å; V378-I382 HydrophobicContact CG1-CD1 3.57Å; V378-I382 HydrophobicContact CG1-CG1 4.07Å; V378-I382 WeakPolarHBondContact O-CG1 3.42Å; V378-I382 PolarHBondContact O-N 3.17Å; V378-F407 HydrophobicContact CG2-CE2 3.95Å; V378-F407 HydrophobicContact CG2-CZ 4.49Å
379	I	79.5	Confident	74.8	Confident	28 Å²	28	46.6 Å²	46.6	14%	0.144	25%	0.247	C	C	.	.	H	α-helix	trans	-57.1	-44.1	179.8	-72.8	178.9	0	0	0	112.6	L374 V375 I381 I382 D383 I399	L374-I379 WeakPolarHBondContact O-CG1 3.47Å; L374-I379 PolarHBondContact O-N 3.36Å; V375-I379 HydrophobicContact CB-CD1 4.43Å; V375-I379 HydrophobicContact CG2-CD1 4.28Å; I379-I381 VanDerWaalsContact C-N 3.31Å; I379-I381 PolarHBondContact O-N 3.41Å; I379-I382 CarbonylContact O-C 3.6Å; I379-I382 PolarHBondContact O-N 3.19Å; I379-D383 WeakPolarHBondContact CG2-OD2 3.33Å; I379-D383 WeakPolarHBondContact O-CB 3.49Å; I379-D383 PolarHBondContact O-N 3.49Å; I379-I399 HydrophobicContact CD1-CG2 3.87Å; I379-I399 HydrophobicContact CG1-CG2 3.71Å
380	P	79.9	Confident	73.2	Confident	13 Å²	13	40 Å²	40	8%	0.084	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-38.1	178.9	-26.4	36.1	0	0	0	113.6	K115 D383 L384	K115-P380 HydrophobicContact CB-CB 4.1Å; P380-D383 PolarHBondContact O-N 2.68Å; P380-L384 PolarHBondContact O-N 2.88Å
381	I	74.5	Confident	71.6	Confident	20 Å²	20	41 Å²	41	10%	0.103	23%	0.227	C	C	.	.	H	α-helix	trans	-67.3	-46.6	176.2	-62	169.2	0	0	0	109.6	F122 K150 L155 Q377 V378 I379 D383 L384 M385	F122-I381 HydrophobicContact CE1-CD1 3.82Å; F122-I381 HydrophobicContact CZ-CD1 3.55Å; K150-I381 HydrophobicContact CG-CD1 4.4Å; L155-I381 HydrophobicContact CD1-CD1 4.06Å; L155-I381 HydrophobicContact CD1-CG2 4.41Å; L155-I381 HydrophobicContact CD2-CG2 3.76Å; Q377-I381 WeakPolarHBondContact O-CD1 3.21Å; V378-I381 PolarHBondContact O-N 3.12Å; I379-I381 VanDerWaalsContact C-N 3.31Å; I379-I381 PolarHBondContact O-N 3.41Å; I381-D383 VanDerWaalsContact C-N 3.31Å; I381-D383 PolarHBondContact O-N 2.81Å; I381-L384 WeakPolarHBondContact O-CB 3.45Å; I381-L384 PolarHBondContact O-N 3.24Å; I381-M385 HydrophobicContact CG2-CG 4.42Å; I381-M385 VanDerWaalsContact O-CG 3.27Å; I381-M385 WeakPolarHBondContact O-CG 3.42Å; I381-M385 PolarHBondContact O-N 3.41Å
382	I	74.3	Confident	70.4	Confident	13 Å²	13	41.6 Å²	41.6	7%	0.067	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-38.5	177	-65.8	179.9	0	0	0	110.8	V378 I379 L384 M385 A386 F392 L395 R396 I399	V378-I382 HydrophobicContact CG1-CD1 3.57Å; V378-I382 HydrophobicContact CG1-CG1 4.07Å; V378-I382 WeakPolarHBondContact O-CG1 3.42Å; V378-I382 PolarHBondContact O-N 3.17Å; I379-I382 CarbonylContact O-C 3.6Å; I379-I382 PolarHBondContact O-N 3.19Å; I382-L384 VanDerWaalsContact C-N 3.32Å; I382-L384 PolarHBondContact O-N 3.46Å; I382-M385 PolarHBondContact O-N 3.07Å; I382-A386 WeakPolarHBondContact O-CA 3.39Å; I382-A386 WeakPolarHBondContact O-CB 3.29Å; I382-A386 PolarHBondContact O-N 3.21Å; I382-F392 HydrophobicContact CG2-CD1 4.36Å; I382-L395 HydrophobicContact CD1-CD2 4.01Å; I382-L395 HydrophobicContact CD1-CG 4.3Å; I382-R396 HydrophobicContact CG2-CB 3.72Å; I382-R396 HydrophobicContact CG2-CG 4.48Å; I382-I399 HydrophobicContact CD1-CD1 3.24Å
383	D	73.6	Confident	69.2	Low	30 Å²	30	42 Å²	42	16%	0.16	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-37.7	176.1	-83.4	-21.9	0	0	0	111.3	L112 I379 P380 I381 R387 R396 K400	L112-D383 HydrophobicContact CD2-CB 3.95Å; I379-D383 WeakPolarHBondContact CG2-OD2 3.33Å; I379-D383 WeakPolarHBondContact O-CB 3.49Å; I379-D383 PolarHBondContact O-N 3.49Å; P380-D383 PolarHBondContact O-N 2.68Å; I381-D383 VanDerWaalsContact C-N 3.31Å; I381-D383 PolarHBondContact O-N 2.81Å; D383-R387 WeakPolarHBondContact O-CG 3.45Å; D383-R396 WeakPolarHBondContact OD1-CD 3Å; D383-R396 WeakPolarHBondContact OD1-CG 3.21Å; D383-K400 IonicContact OD1-NZ 3.39Å; D383-K400 PolarHBondContact OD1-NZ 2.7Å
384	L	69.2	Low	68	Low	20 Å²	20	45.6 Å²	45.6	11%	0.105	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-52.3	172.5	-177.5	68.8	0	0	0	111.3	L112 I116 F178 P380 I381 I382 A386 R387	L112-L384 HydrophobicContact CB-CD1 4.09Å; L112-L384 HydrophobicContact CD1-CB 4Å; L112-L384 HydrophobicContact CD1-CD1 3.72Å; I116-L384 HydrophobicContact CD1-CB 4.35Å; I116-L384 HydrophobicContact CD1-CD2 3.5Å; I116-L384 VanDerWaalsContact CD1-CD2 3.5Å; I116-L384 HydrophobicContact CD1-CG 4.46Å; F178-L384 HydrophobicContact CE1-CD2 4.18Å; F178-L384 HydrophobicContact CZ-CD2 4.21Å; P380-L384 PolarHBondContact O-N 2.88Å; I381-L384 WeakPolarHBondContact O-CB 3.45Å; I381-L384 PolarHBondContact O-N 3.24Å; I382-L384 VanDerWaalsContact C-N 3.32Å; I382-L384 PolarHBondContact O-N 3.46Å; L384-A386 PolarHBondContact O-N 3.39Å; L384-R387 PolarHBondContact O-N 3.16Å
385	M	64.9	Low	67.1	Low	63 Å²	63	48 Å²	48	31%	0.31	25%	0.249	S	C	.	.	H	α-helix	trans	-65.2	-29.4	179.8	-60.7	-62.8	-67.7	0	0	112.3	I381 I382 R387 T388 S389 F392	I381-M385 HydrophobicContact CG2-CG 4.42Å; I381-M385 VanDerWaalsContact O-CG 3.27Å; I381-M385 WeakPolarHBondContact O-CG 3.42Å; I381-M385 PolarHBondContact O-N 3.41Å; I382-M385 PolarHBondContact O-N 3.07Å; M385-R387 VanDerWaalsContact C-N 3.28Å; M385-R387 PolarHBondContact O-N 2.79Å; M385-T388 PolarHBondContact O-N 2.71Å; M385-T388 PolarHBondContact O-OG1 3.31Å; M385-S389 WeakPolarHBondContact O-CB 3.38Å; M385-S389 PolarHBondContact O-N 3.5Å; M385-F392 HydrophobicContact CB-CB 3.85Å; M385-F392 HydrophobicContact CB-CD1 3.77Å; M385-F392 HydrophobicContact CB-CD2 3.66Å; M385-F392 HydrophobicContact CB-CE1 4.19Å; M385-F392 HydrophobicContact CB-CE2 4.08Å; M385-F392 HydrophobicContact CB-CG 3.48Å; M385-F392 VanDerWaalsContact CB-CG 3.48Å; M385-F392 HydrophobicContact CB-CZ 4.33Å; M385-F392 HydrophobicContact CE-CD2 4.37Å; M385-F392 HydrophobicContact CE-CE2 3.83Å; M385-F392 HydrophobicContact CE-CZ 4.19Å; M385-F392 HydrophobicContact CG-CD1 4.49Å; M385-F392 HydrophobicContact CG-CE1 4.48Å
386	A	63.9	Low	66.8	Low	8 Å²	8	46.2 Å²	46.2	7%	0.066	23%	0.231	C	C	.	.	H	α-helix	trans	-68.5	-22.9	179.5	0	0	0	0	0	113.6	I382 L384 T388 S389 F392 A393 R396	I382-A386 WeakPolarHBondContact O-CA 3.39Å; I382-A386 WeakPolarHBondContact O-CB 3.29Å; I382-A386 PolarHBondContact O-N 3.21Å; L384-A386 PolarHBondContact O-N 3.39Å; A386-T388 VanDerWaalsContact C-N 3.32Å; A386-S389 WeakPolarHBondContact CA-O 3.11Å; A386-F392 HydrophobicContact CB-CB 4.08Å; A386-A393 HydrophobicContact CB-CB 4.05Å; A386-R396 HydrophobicContact CB-CB 4.39Å
387	R	64.3	Low	66.2	Low	89 Å²	89	43.8 Å²	43.8	34%	0.336	22%	0.223	S	C	.	.	H	α-helix	trans	-71.5	-32.1	178.1	-66.2	-167.8	-169.1	-142.2	8.1	112.2	M104 A105 G108 D383 L384 M385	M104-R387 PolarHBondContact O-NH1 2.64Å; A105-R387 HydrophobicContact CB-CB 4.37Å; G108-R387 PolarHBondContact O-NH2 3.26Å; D383-R387 WeakPolarHBondContact O-CG 3.45Å; L384-R387 PolarHBondContact O-N 3.16Å; M385-R387 VanDerWaalsContact C-N 3.28Å; M385-R387 PolarHBondContact O-N 2.79Å
388	T	51.5	Low	65.5	Low	84 Å²	84	45.5 Å²	45.5	52%	0.515	23%	0.23	S	C	.	.	H	α-helix	trans	-101.1	-17.1	-178.6	55	0	0	0	0	112.2	M385 A386 L480	M385-T388 PolarHBondContact O-N 2.71Å; M385-T388 PolarHBondContact O-OG1 3.31Å; A386-T388 VanDerWaalsContact C-N 3.32Å; T388-L480 HydrophobicContact CG2-CD1 3.88Å
389	S	52.2	Low	65	Low	24 Å²	24	45.1 Å²	45.1	17%	0.168	23%	0.227	C	C	.	.			trans	-132.2	121	-178.4	177.5	0	0	0	0	112.9	M385 A386 H391 F392 A393	M385-S389 WeakPolarHBondContact O-CB 3.38Å; M385-S389 PolarHBondContact O-N 3.5Å; A386-S389 WeakPolarHBondContact CA-O 3.11Å; S389-H391 PolarHBondContact O-N 3.33Å; S389-H391 PolarHBondContact OG-N 3.12Å; S389-F392 PolarHBondContact O-N 2.67Å; S389-A393 PolarHBondContact O-N 3.21Å
390	A	52.4	Low	64.4	Low	39 Å²	39	49.1 Å²	49.1	32%	0.322	24%	0.243	S	C	.	.	H	α-helix	trans	-66.1	-19.5	175.7	0	0	0	0	0	113	A393 R394 Y485	A390-A393 PolarHBondContact O-N 3.11Å; A390-R394 WeakPolarHBondContact O-CG 2.86Å; A390-R394 PolarHBondContact O-N 3.26Å; A390-Y485 HydrophobicContact CB-CE2 3.68Å; A390-Y485 WeakPolarHBondContact CB-OH 3.47Å
391	H	52.6	Low	63.9	Low	36 Å²	36	50.2 Å²	50.2	17%	0.167	25%	0.248	C	C	.	.	H	α-helix	trans	-70.1	-47.7	173.4	-63.3	-68.2	0	0	0	111.4	S389 A393 R394 L395 Y485	S389-H391 PolarHBondContact O-N 3.33Å; S389-H391 PolarHBondContact OG-N 3.12Å; H391-A393 PolarHBondContact O-N 2.99Å; H391-R394 PolarHBondContact O-N 3.42Å; H391-L395 WeakPolarHBondContact O-CB 3.48Å; H391-L395 PolarHBondContact O-N 3.14Å; H391-Y485 AromaticContact CD2-CD2 3.71Å; H391-Y485 AromaticContact CD2-CE2 3.54Å; H391-Y485 AromaticContact NE2-CD2 3.63Å; H391-Y485 AromaticContact NE2-CE2 3.42Å; H391-Y485 WeakPolarHBondContact NE2-CE2 3.31Å
392	F	58.4	Low	63.7	Low	73 Å²	73	58 Å²	58	32%	0.32	28%	0.284	S	S	.	.	H	α-helix	trans	-65	-30.9	172.8	-77.2	-77.7	0	0	0	111.1	I382 M385 A386 S389 L395 R396	I382-F392 HydrophobicContact CG2-CD1 4.36Å; M385-F392 HydrophobicContact CB-CB 3.85Å; M385-F392 HydrophobicContact CB-CD1 3.77Å; M385-F392 HydrophobicContact CB-CD2 3.66Å; M385-F392 HydrophobicContact CB-CE1 4.19Å; M385-F392 HydrophobicContact CB-CE2 4.08Å; M385-F392 HydrophobicContact CB-CG 3.48Å; M385-F392 VanDerWaalsContact CB-CG 3.48Å; M385-F392 HydrophobicContact CB-CZ 4.33Å; M385-F392 HydrophobicContact CE-CD2 4.37Å; M385-F392 HydrophobicContact CE-CE2 3.83Å; M385-F392 HydrophobicContact CE-CZ 4.19Å; M385-F392 HydrophobicContact CG-CD1 4.49Å; M385-F392 HydrophobicContact CG-CE1 4.48Å; A386-F392 HydrophobicContact CB-CB 4.08Å; S389-F392 PolarHBondContact O-N 2.67Å; F392-L395 HydrophobicContact CD1-CD2 4.16Å; F392-L395 HydrophobicContact CE1-CD2 4.43Å; F392-L395 PolarHBondContact O-N 3.26Å; F392-R396 WeakPolarHBondContact O-CB 3.5Å; F392-R396 PolarHBondContact O-N 3.39Å
393	A	59.5	Low	64	Low	17 Å²	17	59 Å²	59	14%	0.14	29%	0.288	C	S	.	.	H	α-helix	trans	-63.7	-45.6	170.8	0	0	0	0	0	112.5	A386 S389 A390 H391 L395 R396 D397	A386-A393 HydrophobicContact CB-CB 4.05Å; S389-A393 PolarHBondContact O-N 3.21Å; A390-A393 PolarHBondContact O-N 3.11Å; H391-A393 PolarHBondContact O-N 2.99Å; A393-L395 PolarHBondContact O-N 2.65Å; A393-R396 WeakPolarHBondContact O-CB 3.38Å; A393-R396 PolarHBondContact O-N 2.78Å; A393-D397 WeakPolarHBondContact O-CB 3.42Å; A393-D397 PolarHBondContact O-N 3.49Å
394	R	58.7	Low	64.6	Low	112 Å²	112	58.3 Å²	58.3	42%	0.423	29%	0.285	S	S	.	.	H	α-helix	trans	-65.1	-39.5	174.5	-69.8	175.8	-164.4	162.1	9.5	112.2	A390 H391 D397 F398	A390-R394 WeakPolarHBondContact O-CG 2.86Å; A390-R394 PolarHBondContact O-N 3.26Å; H391-R394 PolarHBondContact O-N 3.42Å; R394-D397 PolarHBondContact O-N 3.47Å; R394-F398 WeakPolarHBondContact O-CB 3.47Å; R394-F398 PolarHBondContact O-N 3.41Å
395	L	61	Low	65.3	Low	69 Å²	69	61.2 Å²	61.2	36%	0.361	31%	0.305	S	S	.	.	H	α-helix	trans	-64.1	-43.8	175.7	178.6	61.6	0	0	0	111.1	I382 H391 F392 A393 D397 F398 I399	I382-L395 HydrophobicContact CD1-CD2 4.01Å; I382-L395 HydrophobicContact CD1-CG 4.3Å; H391-L395 WeakPolarHBondContact O-CB 3.48Å; H391-L395 PolarHBondContact O-N 3.14Å; F392-L395 HydrophobicContact CD1-CD2 4.16Å; F392-L395 HydrophobicContact CE1-CD2 4.43Å; F392-L395 PolarHBondContact O-N 3.26Å; A393-L395 PolarHBondContact O-N 2.65Å; L395-D397 VanDerWaalsContact C-N 3.34Å; L395-D397 PolarHBondContact O-N 2.99Å; L395-F398 WeakPolarHBondContact O-CB 3.19Å; L395-F398 PolarHBondContact O-N 3.2Å; L395-I399 HydrophobicContact CD1-CD1 3.84Å; L395-I399 HydrophobicContact CD1-CG1 4.22Å; L395-I399 HydrophobicContact CD2-CD1 4.42Å; L395-I399 HydrophobicContact CG-CD1 3.74Å; L395-I399 HydrophobicContact CG-CG1 4.48Å; L395-I399 WeakPolarHBondContact O-CB 3.33Å; L395-I399 VanDerWaalsContact O-CG1 3.26Å; L395-I399 WeakPolarHBondContact O-CG1 3.45Å; L395-I399 PolarHBondContact O-N 3.31Å
396	R	71.7	Confident	66.4	Low	64 Å²	64	59.9 Å²	59.9	24%	0.242	31%	0.308	C	S	.	.	H	α-helix	trans	-56	-49.7	172.5	179.4	-163.1	68.9	-166.7	-2.9	110.7	I382 D383 A386 F392 A393 F398 I399 K400	I382-R396 HydrophobicContact CG2-CB 3.72Å; I382-R396 HydrophobicContact CG2-CG 4.48Å; D383-R396 WeakPolarHBondContact OD1-CD 3Å; D383-R396 WeakPolarHBondContact OD1-CG 3.21Å; A386-R396 HydrophobicContact CB-CB 4.39Å; F392-R396 WeakPolarHBondContact O-CB 3.5Å; F392-R396 PolarHBondContact O-N 3.39Å; A393-R396 WeakPolarHBondContact O-CB 3.38Å; A393-R396 PolarHBondContact O-N 2.78Å; R396-F398 VanDerWaalsContact C-N 3.28Å; R396-F398 PolarHBondContact O-N 2.99Å; R396-I399 CarbonylContact O-C 3.57Å; R396-I399 PolarHBondContact O-N 3.31Å; R396-I399 VanDerWaalsContact O-N 3.12Å; R396-K400 HydrophobicContact CG-CD 3.98Å; R396-K400 HydrophobicContact CG-CG 4.46Å; R396-K400 WeakPolarHBondContact O-CB 3.49Å; R396-K400 VanDerWaalsContact O-CG 3.31Å; R396-K400 WeakPolarHBondContact O-CG 3.35Å; R396-K400 PolarHBondContact O-N 3.46Å
397	D	67.2	Low	67.6	Low	81 Å²	81	59.8 Å²	59.8	43%	0.433	31%	0.306	S	S	.	.	H	α-helix	trans	-65.3	-35.7	-178.1	-61.7	-13.9	0	0	0	111	A393 R394 L395 L401	A393-D397 WeakPolarHBondContact O-CB 3.42Å; A393-D397 PolarHBondContact O-N 3.49Å; R394-D397 PolarHBondContact O-N 3.47Å; L395-D397 VanDerWaalsContact C-N 3.34Å; L395-D397 PolarHBondContact O-N 2.99Å; D397-L401 PolarHBondContact O-N 2.97Å
398	F	67	Low	68.8	Low	46 Å²	46	55.8 Å²	55.8	20%	0.202	29%	0.291	C	S	.	.	H	α-helix	trans	-65.8	-40.8	170.7	179.4	-107	0	0	0	112.7	L236 R394 L395 R396 K400 L401 F403	L236-F398 HydrophobicContact CD2-CD2 3.79Å; L236-F398 HydrophobicContact CD2-CE2 4.42Å; R394-F398 WeakPolarHBondContact O-CB 3.47Å; R394-F398 PolarHBondContact O-N 3.41Å; L395-F398 WeakPolarHBondContact O-CB 3.19Å; L395-F398 PolarHBondContact O-N 3.2Å; R396-F398 VanDerWaalsContact C-N 3.28Å; R396-F398 PolarHBondContact O-N 2.99Å; F398-K400 VanDerWaalsContact C-N 3.34Å; F398-L401 HydrophobicContact CD2-CD1 3.71Å; F398-L401 HydrophobicContact CE2-CD1 4.2Å; F398-L401 HydrophobicContact CG-CD1 4.47Å; F398-L401 WeakPolarHBondContact O-CB 3.4Å; F398-L401 WeakPolarHBondContact O-CD1 3.34Å; F398-L401 VanDerWaalsContact O-CG 3.26Å; F398-L401 WeakPolarHBondContact O-CG 3.31Å; F398-L401 PolarHBondContact O-N 3.31Å; F398-F403 AromaticContact CD1-CZ 3.86Å; F398-F403 HydrophobicContact CD1-CZ 3.86Å; F398-F403 AromaticContact CE1-CE1 3.98Å; F398-F403 HydrophobicContact CE1-CE1 3.98Å; F398-F403 AromaticContact CE1-CZ 3.51Å; F398-F403 HydrophobicContact CE1-CZ 3.51Å; F398-F403 HydrophobicContact CZ-CE1 4.03Å; F398-F403 HydrophobicContact CZ-CZ 4.02Å
399	I	68.2	Low	70.7	Confident	18 Å²	18	51.8 Å²	51.8	9%	0.092	27%	0.266	C	S	.	.	H	α-helix	trans	-73.2	-28.5	179.3	-70.9	166.9	0	0	0	112.6	L374 I379 I382 L395 R396 L401 F403	L374-I399 HydrophobicContact CD1-CD1 4.49Å; L374-I399 HydrophobicContact CD1-CG2 4.07Å; L374-I399 HydrophobicContact CD2-CG2 3.75Å; L374-I399 HydrophobicContact CG-CG2 3.85Å; I379-I399 HydrophobicContact CD1-CG2 3.87Å; I379-I399 HydrophobicContact CG1-CG2 3.71Å; I382-I399 HydrophobicContact CD1-CD1 3.24Å; L395-I399 HydrophobicContact CD1-CD1 3.84Å; L395-I399 HydrophobicContact CD1-CG1 4.22Å; L395-I399 HydrophobicContact CD2-CD1 4.42Å; L395-I399 HydrophobicContact CG-CD1 3.74Å; L395-I399 HydrophobicContact CG-CG1 4.48Å; L395-I399 WeakPolarHBondContact O-CB 3.33Å; L395-I399 VanDerWaalsContact O-CG1 3.26Å; L395-I399 WeakPolarHBondContact O-CG1 3.45Å; L395-I399 PolarHBondContact O-N 3.31Å; R396-I399 CarbonylContact O-C 3.57Å; R396-I399 PolarHBondContact O-N 3.31Å; R396-I399 VanDerWaalsContact O-N 3.12Å; I399-L401 PolarHBondContact O-N 3.16Å; I399-L401 VanDerWaalsContact O-O 3.14Å; I399-F403 HydrophobicContact CB-CE2 4.16Å; I399-F403 HydrophobicContact CG1-CE2 4.02Å; I399-F403 HydrophobicContact CG2-CE2 4.34Å
400	K	67.1	Low	72.6	Confident	113 Å²	113	51.7 Å²	51.7	49%	0.491	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-8.8	172.6	-75	178.6	-179.8	176.5	0	112.9	D383 R396 F398	D383-K400 IonicContact OD1-NZ 3.39Å; D383-K400 PolarHBondContact OD1-NZ 2.7Å; R396-K400 HydrophobicContact CG-CD 3.98Å; R396-K400 HydrophobicContact CG-CG 4.46Å; R396-K400 WeakPolarHBondContact O-CB 3.49Å; R396-K400 VanDerWaalsContact O-CG 3.31Å; R396-K400 WeakPolarHBondContact O-CG 3.35Å; R396-K400 PolarHBondContact O-N 3.46Å; F398-K400 VanDerWaalsContact C-N 3.34Å
401	L	69.8	Low	74.3	Confident	36 Å²	36	50.8 Å²	50.8	19%	0.188	25%	0.253	C	S	.	.	S	Bend	trans	-61.6	141.4	163.5	-59.9	171.9	0	0	0	108.4	L236 T238 I241 D397 F398 I399 F403	L236-L401 HydrophobicContact CD2-CD1 4.23Å; T238-L401 HydrophobicContact CG2-CD1 4.09Å; T238-L401 HydrophobicContact CG2-CD2 3.59Å; T238-L401 HydrophobicContact CG2-CG 4.39Å; I241-L401 HydrophobicContact CD1-CD1 4.04Å; D397-L401 PolarHBondContact O-N 2.97Å; F398-L401 HydrophobicContact CD2-CD1 3.71Å; F398-L401 HydrophobicContact CE2-CD1 4.2Å; F398-L401 HydrophobicContact CG-CD1 4.47Å; F398-L401 WeakPolarHBondContact O-CB 3.4Å; F398-L401 WeakPolarHBondContact O-CD1 3.34Å; F398-L401 VanDerWaalsContact O-CG 3.26Å; F398-L401 WeakPolarHBondContact O-CG 3.31Å; F398-L401 PolarHBondContact O-N 3.31Å; I399-L401 PolarHBondContact O-N 3.16Å; I399-L401 VanDerWaalsContact O-O 3.14Å; L401-F403 PolarHBondContact O-N 3.02Å
402	E	70.3	Confident	75.9	Confident	184 Å²	184	50.3 Å²	50.3	86%	0.86	25%	0.251	S	S	*	.			trans	-64.7	86	176.9	-67.6	-177.9	171.3	0	0	109.8	F243	F243-E402 WeakPolarHBondContact CE2-O 3.21Å
403	F	81.1	Confident	76.9	Confident	34 Å²	34	49 Å²	49	15%	0.149	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-61.7	153.8	171.7	-78.9	-53.5	0	0	0	110	F243 L364 M366 L374 F398 I399 L401	F243-F403 HydrophobicContact CE1-CD1 4.05Å; F243-F403 HydrophobicContact CE1-CE1 4.46Å; F243-F403 AromaticContact CZ-CD1 4Å; F243-F403 HydrophobicContact CZ-CD1 4Å; F243-F403 HydrophobicContact CZ-CE1 4.46Å; L364-F403 HydrophobicContact CD2-CD1 3.73Å; L364-F403 HydrophobicContact CD2-CE1 4.01Å; M366-F403 HydrophobicContact CE-CB 4Å; L374-F403 HydrophobicContact CD2-CD2 3.76Å; L374-F403 HydrophobicContact CD2-CE2 4.05Å; F398-F403 AromaticContact CD1-CZ 3.86Å; F398-F403 HydrophobicContact CD1-CZ 3.86Å; F398-F403 AromaticContact CE1-CE1 3.98Å; F398-F403 HydrophobicContact CE1-CE1 3.98Å; F398-F403 AromaticContact CE1-CZ 3.51Å; F398-F403 HydrophobicContact CE1-CZ 3.51Å; F398-F403 HydrophobicContact CZ-CE1 4.03Å; F398-F403 HydrophobicContact CZ-CZ 4.02Å; I399-F403 HydrophobicContact CB-CE2 4.16Å; I399-F403 HydrophobicContact CG1-CE2 4.02Å; I399-F403 HydrophobicContact CG2-CE2 4.34Å; L401-F403 PolarHBondContact O-N 3.02Å
404	P	84.8	Confident	77.4	Confident	15 Å²	15	50 Å²	50	10%	0.097	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-53.7	158.2	165.5	-20.1	31.4	0	0	0	111	F243 Y269 M366 G406	F243-P404 HydrophobicContact CB-CG 3.94Å; F243-P404 HydrophobicContact CD1-CG 3.84Å; F243-P404 HydrophobicContact CD2-CG 4.5Å; F243-P404 HydrophobicContact CE1-CG 4.49Å; F243-P404 HydrophobicContact CG-CG 3.85Å; Y269-P404 HydrophobicContact CD1-CB 4.31Å; Y269-P404 HydrophobicContact CD1-CG 3.91Å; Y269-P404 HydrophobicContact CD2-CB 4.43Å; Y269-P404 HydrophobicContact CD2-CG 4.35Å; Y269-P404 HydrophobicContact CE1-CB 3.9Å; Y269-P404 HydrophobicContact CE1-CG 3.99Å; Y269-P404 HydrophobicContact CE2-CB 4.06Å; Y269-P404 HydrophobicContact CE2-CG 4.46Å; Y269-P404 HydrophobicContact CG-CG 4.09Å; M366-P404 WeakPolarHBondContact CE-O 3.11Å; M366-P404 HydrophobicContact CG-CB 4.2Å; M366-P404 HydrophobicContact CG-CG 4.4Å; P404-G406 PolarHBondContact O-N 2.92Å
405	P	85.8	Confident	77.5	Confident	81 Å²	81	47.5 Å²	47.5	53%	0.526	25%	0.246	S	C	.	.	S	Bend	trans	-58.7	138.6	-178.6	24.6	-34.4	0	0	0	112.1	E368	E368-P405 HydrophobicContact CG-CB 4.44Å
406	G	86.9	Confident	77.5	Confident	35 Å²	35	46.5 Å²	46.5	36%	0.361	24%	0.239	S	C	.	.	S	Bend	trans	108.7	-174.1	178.3	0	0	0	0	0	114.4	M366 C367 P404	M366-G406 WeakPolarHBondContact CE-O 3.46Å; C367-G406 CarbonylContact O-C 3.14Å; C367-G406 VanDerWaalsContact O-CA 3.26Å; C367-G406 WeakPolarHBondContact O-CA 3.38Å; P404-G406 PolarHBondContact O-N 2.92Å
407	F	89.3	Confident	76.6	Confident	6 Å²	6	49.5 Å²	49.5	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	137.9	178.2	-171.1	-85.7	0	0	0	111.4	M366 C367 F370 L372 L374 V378 V409 F425	M366-F407 WeakPolarHBondContact CA-O 3.26Å; C367-F407 PolarHBondContact N-O 3.46Å; C367-F407 PolarHBondContact O-N 2.87Å; F370-F407 HydrophobicContact CB-CB 3.59Å; F370-F407 HydrophobicContact CB-CG 4.26Å; F370-F407 HydrophobicContact CD1-CB 3.59Å; F370-F407 AromaticContact CD1-CD1 3.26Å; F370-F407 HydrophobicContact CD1-CD1 3.26Å; F370-F407 AromaticContact CD1-CD2 3.83Å; F370-F407 HydrophobicContact CD1-CD2 3.83Å; F370-F407 AromaticContact CD1-CE1 3.85Å; F370-F407 HydrophobicContact CD1-CE1 3.85Å; F370-F407 HydrophobicContact CD1-CE2 4.33Å; F370-F407 AromaticContact CD1-CG 3.26Å; F370-F407 HydrophobicContact CD1-CG 3.26Å; F370-F407 HydrophobicContact CD1-CZ 4.35Å; F370-F407 AromaticContact CE1-CD1 3.3Å; F370-F407 HydrophobicContact CE1-CD1 3.3Å; F370-F407 HydrophobicContact CE1-CD2 4.19Å; F370-F407 AromaticContact CE1-CE1 3.38Å; F370-F407 HydrophobicContact CE1-CE1 3.38Å; F370-F407 HydrophobicContact CE1-CE2 4.25Å; F370-F407 AromaticContact CE1-CG 3.74Å; F370-F407 HydrophobicContact CE1-CG 3.74Å; F370-F407 AromaticContact CE1-CZ 3.87Å; F370-F407 HydrophobicContact CE1-CZ 3.87Å; F370-F407 HydrophobicContact CG-CB 3.84Å; F370-F407 AromaticContact CG-CD1 3.93Å; F370-F407 HydrophobicContact CG-CD1 3.93Å; F370-F407 AromaticContact CG-CG 3.98Å; F370-F407 HydrophobicContact CG-CG 3.98Å; F370-F407 HydrophobicContact CZ-CD1 4.02Å; F370-F407 HydrophobicContact CZ-CE1 4.02Å; L372-F407 HydrophobicContact CB-CD2 4.25Å; L372-F407 HydrophobicContact CB-CE2 4.08Å; L372-F407 VanDerWaalsContact O-CD2 3.29Å; L372-F407 WeakPolarHBondContact O-CD2 3.2Å; L374-F407 HydrophobicContact CB-CD2 3.92Å; L374-F407 HydrophobicContact CB-CE2 4.21Å; L374-F407 HydrophobicContact CD1-CD2 4.47Å; L374-F407 HydrophobicContact CD1-CE2 4.05Å; V378-F407 HydrophobicContact CG2-CE2 3.95Å; V378-F407 HydrophobicContact CG2-CZ 4.49Å; F407-V409 HydrophobicContact CD1-CG1 4.09Å; F407-V409 PolarHBondContact O-N 3.32Å; F407-F425 HydrophobicContact CE1-CB 3.9Å; F407-F425 HydrophobicContact CE1-CD1 4.18Å; F407-F425 AromaticContact CE1-CD2 3.91Å; F407-F425 HydrophobicContact CE1-CD2 3.91Å; F407-F425 HydrophobicContact CE1-CE2 4.48Å; F407-F425 AromaticContact CE1-CG 3.73Å; F407-F425 HydrophobicContact CE1-CG 3.73Å; F407-F425 HydrophobicContact CZ-CD1 4.21Å; F407-F425 HydrophobicContact CZ-CG 4.22Å
408	P	90.1	Very high	76.1	Confident	4 Å²	4	46.5 Å²	46.5	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	84.9	178.2	32.6	-36.1	0	0	0	111.6	L364 W365 M366 L374 K410 I411 F425	L364-P408 HydrophobicContact CD1-CB 3.74Å; W365-P408 CarbonylContact O-C 3.56Å; W365-P408 WeakPolarHBondContact O-CA 3.5Å; M366-P408 HydrophobicContact CE-CB 4.47Å; M366-P408 VanDerWaalsContact SD-CA 3.56Å; M366-P408 HydrophobicContact SD-CB 3.74Å; L374-P408 HydrophobicContact CD1-CG 4.47Å; L374-P408 HydrophobicContact CD2-CG 4.34Å; P408-K410 PolarHBondContact O-N 2.82Å; P408-I411 HydrophobicContact CB-CD1 4.42Å; P408-I411 HydrophobicContact CB-CG1 4.23Å; P408-F425 WeakPolarHBondContact O-CD2 3.39Å; P408-F425 WeakPolarHBondContact O-CE2 3.35Å
409	V	91.4	Very high	75.9	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	-21.8	-177.7	-61.7	0	0	0	0	113.6	V261 A266 W365 C367 F370 F407 T424 F425	V261-V409 HydrophobicContact CB-CG2 4.02Å; V261-V409 HydrophobicContact CG1-CG2 4.31Å; V261-V409 HydrophobicContact CG2-CG2 4.4Å; A266-V409 HydrophobicContact CB-CG2 3.6Å; W365-V409 HydrophobicContact CB-CG2 3.97Å; W365-V409 WeakPolarHBondContact O-CG2 3.47Å; W365-V409 PolarHBondContact O-N 2.86Å; C367-V409 HydrophobicContact CB-CG1 3.62Å; C367-V409 HydrophobicContact CB-CG2 4.33Å; F370-V409 HydrophobicContact CB-CG1 4.43Å; F370-V409 HydrophobicContact CD2-CG1 3.35Å; F370-V409 HydrophobicContact CE2-CG1 3.56Å; F370-V409 HydrophobicContact CG-CG1 3.89Å; F370-V409 HydrophobicContact CZ-CG1 4.21Å; F407-V409 HydrophobicContact CD1-CG1 4.09Å; F407-V409 PolarHBondContact O-N 3.32Å; V409-T424 WeakPolarHBondContact O-CA 3.47Å; V409-F425 PolarHBondContact O-N 3.31Å
410	K	91.1	Very high	76.1	Confident	22 Å²	22	46.7 Å²	46.7	10%	0.096	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	139.2	172.2	172.7	-176.3	172.6	-162	0	110.5	V261 W365 P408 E412 R422 I423 T424	V261-K410 HydrophobicContact CG1-CB 4.06Å; V261-K410 HydrophobicContact CG2-CB 4.36Å; V261-K410 HydrophobicContact CG2-CD 4.36Å; W365-K410 HydrophobicContact CB-CB 3.89Å; W365-K410 HydrophobicContact CD2-CB 4.05Å; W365-K410 HydrophobicContact CD2-CD 3.76Å; W365-K410 HydrophobicContact CD2-CG 3.95Å; W365-K410 HydrophobicContact CE3-CB 3.96Å; W365-K410 HydrophobicContact CE3-CD 3.78Å; W365-K410 HydrophobicContact CE3-CG 3.59Å; W365-K410 HydrophobicContact CG-CB 4.04Å; W365-K410 HydrophobicContact CG-CD 4.29Å; W365-K410 HydrophobicContact CG-CG 4.44Å; W365-K410 HydrophobicContact CH2-CD 4.19Å; W365-K410 HydrophobicContact CZ2-CD 4.16Å; W365-K410 VanDerWaalsContact CZ2-NZ 3.32Å; W365-K410 HydrophobicContact CZ3-CD 3.99Å; W365-K410 HydrophobicContact CZ3-CG 3.96Å; W365-K410 PolarHBondContact N-O 3.22Å; P408-K410 PolarHBondContact O-N 2.82Å; K410-E412 WeakPolarHBondContact CE-OE2 3.28Å; K410-E412 IonicContact NZ-OE2 3.26Å; K410-E412 PolarHBondContact NZ-OE2 2.9Å; K410-R422 HydrophobicContact CG-CG 4.35Å; K410-I423 CarbonylContact C-O 3.59Å; K410-I423 VanDerWaalsContact CA-O 3.28Å; K410-I423 WeakPolarHBondContact CA-O 3.41Å; K410-T424 HydrophobicContact CB-CG2 3.97Å; K410-T424 HydrophobicContact CD-CG2 4.1Å; K410-T424 HydrophobicContact CG-CG2 3.75Å
411	I	88.2	Confident	76.4	Confident	21 Å²	21	42.2 Å²	42.2	11%	0.108	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.2	175.4	-51.4	169.5	0	0	0	107.3	L364 P408 I413 R422 I423 F425	L364-I411 HydrophobicContact CD1-CB 4.43Å; L364-I411 HydrophobicContact CD1-CG1 3.72Å; L364-I411 HydrophobicContact CD1-CG2 4.44Å; P408-I411 HydrophobicContact CB-CD1 4.42Å; P408-I411 HydrophobicContact CB-CG1 4.23Å; I411-I413 HydrophobicContact CG2-CD1 4.24Å; I411-I413 HydrophobicContact CG2-CG1 4.01Å; I411-R422 CarbonylContact O-C 3.52Å; I411-R422 WeakPolarHBondContact O-CA 3.42Å; I411-I423 HydrophobicContact CB-CB 4.37Å; I411-I423 PolarHBondContact N-O 3.31Å; I411-I423 PolarHBondContact O-N 3.28Å; I411-F425 HydrophobicContact CD1-CE2 4.33Å
412	E	85.7	Confident	77	Confident	26 Å²	26	43.2 Å²	43.2	12%	0.121	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	115.9	175.9	-166.7	168	156.9	0	0	109.8	A362 M363 W365 K410 N420 A421 R422	A362-E412 CarbonylContact C-O 3.6Å; A362-E412 WeakPolarHBondContact CA-O 3.24Å; M363-E412 HydrophobicContact CB-CB 4.27Å; M363-E412 PolarHBondContact N-O 3.47Å; M363-E412 PolarHBondContact O-N 2.88Å; W365-E412 HydrophobicContact CH2-CB 3.97Å; W365-E412 HydrophobicContact CZ3-CB 3.62Å; K410-E412 WeakPolarHBondContact CE-OE2 3.28Å; K410-E412 IonicContact NZ-OE2 3.26Å; K410-E412 PolarHBondContact NZ-OE2 2.9Å; E412-N420 HydrophobicContact CG-CB 3.88Å; E412-N420 PolarHBondContact OE1-ND2 2.61Å; E412-A421 CarbonylContact C-O 3.54Å; E412-A421 WeakPolarHBondContact CA-O 3.35Å; E412-R422 IonicContact OE1-NH2 3.57Å; E412-R422 IonicContact OE2-CZ 3.59Å; E412-R422 IonicContact OE2-NE 3.85Å; E412-R422 PolarHBondContact OE2-NE 3.49Å; E412-R422 IonicContact OE2-NH2 2.67Å; E412-R422 PolarHBondContact OE2-NH2 3.12Å
413	I	79.3	Confident	77.6	Confident	46 Å²	46	36.9 Å²	36.9	24%	0.236	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.3	-176.8	-58	174.1	0	0	0	107.6	F360 A362 I411 L415 N420 A421	F360-I413 HydrophobicContact CD2-CG2 4.05Å; F360-I413 HydrophobicContact CE2-CG2 3.59Å; F360-I413 HydrophobicContact CZ-CG2 3.9Å; A362-I413 HydrophobicContact CB-CG1 4.27Å; I411-I413 HydrophobicContact CG2-CD1 4.24Å; I411-I413 HydrophobicContact CG2-CG1 4.01Å; I413-L415 HydrophobicContact CG2-CD2 4.35Å; I413-L415 PolarHBondContact O-N 3.32Å; I413-N420 CarbonylContact O-C 3.58Å; I413-N420 WeakPolarHBondContact O-CA 3.43Å; I413-A421 PolarHBondContact N-O 3.15Å; I413-A421 PolarHBondContact O-N 3.1Å
414	P	71	Confident	77.9	Confident	36 Å²	36	36.1 Å²	36.1	23%	0.234	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	123.8	172.9	28.5	-30.5	0	0	0	108.7	F360 K361 N420	F360-P414 HydrophobicContact CB-CG 4.13Å; F360-P414 HydrophobicContact CD2-CG 4.48Å; K361-P414 WeakPolarHBondContact O-CD 3.45Å; K361-P414 WeakPolarHBondContact O-CG 3.47Å; P414-N420 WeakPolarHBondContact CA-OD1 3.27Å; P414-N420 WeakPolarHBondContact CB-OD1 3.37Å
415	L	61.6	Low	78.1	Confident	60 Å²	60	36.9 Å²	36.9	31%	0.314	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-40.6	176.8	-61.1	-176.4	0	0	0	110.5	F130 I413 L419 A421 L496	F130-L415 HydrophobicContact CD1-CD1 3.7Å; F130-L415 HydrophobicContact CE1-CD1 3.4Å; F130-L415 HydrophobicContact CZ-CD1 4.37Å; I413-L415 HydrophobicContact CG2-CD2 4.35Å; I413-L415 PolarHBondContact O-N 3.32Å; L415-L419 PolarHBondContact N-O 3.35Å; L415-A421 HydrophobicContact CD1-CB 4.03Å; L415-A421 HydrophobicContact CD2-CB 4.14Å; L415-A421 HydrophobicContact CG-CB 4.01Å; L415-L496 HydrophobicContact CD2-CD2 4.35Å
416	F	59.6	Low	78	Confident	48 Å²	48	33.3 Å²	33.3	21%	0.211	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	-178.8	173.1	54.6	-94	0	0	0	111.3	L304 V418 L419 S499	L304-F416 HydrophobicContact CD2-CB 3.72Å; F416-V418 HydrophobicContact CD2-CB 4.05Å; F416-V418 HydrophobicContact CD2-CG2 4.19Å; F416-V418 HydrophobicContact CE2-CB 3.83Å; F416-V418 HydrophobicContact CE2-CG2 4.19Å; F416-V418 PolarHBondContact O-N 2.78Å; F416-L419 HydrophobicContact CD1-CB 4.05Å; F416-L419 HydrophobicContact CD2-CB 4.32Å; F416-L419 HydrophobicContact CE1-CB 3.62Å; F416-L419 HydrophobicContact CE1-CD1 3.45Å; F416-L419 VanDerWaalsContact CE1-CD1 3.45Å; F416-L419 HydrophobicContact CE1-CG 3.75Å; F416-L419 HydrophobicContact CE2-CB 3.9Å; F416-L419 HydrophobicContact CE2-CD1 4.08Å; F416-L419 HydrophobicContact CE2-CG 3.69Å; F416-L419 HydrophobicContact CG-CB 4.41Å; F416-L419 HydrophobicContact CZ-CB 3.56Å; F416-L419 HydrophobicContact CZ-CD1 3.12Å; F416-L419 HydrophobicContact CZ-CG 3.23Å; F416-L419 PolarHBondContact N-O 2.91Å; F416-L419 PolarHBondContact O-N 3.45Å; F416-S499 WeakPolarHBondContact CE1-OG 3.38Å
417	H	54.2	Low	77.8	Confident	128 Å²	128	35.2 Å²	35.2	59%	0.593	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	-15.5	-175.6	62.6	-72	0	0	0	115.6	W133	W133-H417 PolarHBondContact NE1-O 3.04Å
418	V	56.1	Low	77.4	Confident	18 Å²	18	35.5 Å²	35.5	11%	0.109	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-9.2	-177.1	-152.7	0	0	0	0	116	S132 W133 V134 F416	S132-V418 WeakPolarHBondContact CA-O 3.38Å; S132-V418 WeakPolarHBondContact CB-O 3.39Å; S132-V418 VanDerWaalsContact OG-CG1 3.23Å; S132-V418 WeakPolarHBondContact OG-CG1 3.24Å; S132-V418 PolarHBondContact OG-O 3.2Å; W133-V418 HydrophobicContact CD2-CG1 3.86Å; W133-V418 HydrophobicContact CG-CG1 4.02Å; W133-V418 HydrophobicContact CZ2-CB 4.39Å; W133-V418 HydrophobicContact CZ2-CG1 3.8Å; W133-V418 HydrophobicContact CZ2-CG2 3.89Å; W133-V418 VanDerWaalsContact NE1-CA 3.28Å; W133-V418 VanDerWaalsContact NE1-CG1 3.29Å; V134-V418 HydrophobicContact CB-CG1 3.85Å; V134-V418 HydrophobicContact CG2-CG1 3.21Å; F416-V418 HydrophobicContact CD2-CB 4.05Å; F416-V418 HydrophobicContact CD2-CG2 4.19Å; F416-V418 HydrophobicContact CE2-CB 3.83Å; F416-V418 HydrophobicContact CE2-CG2 4.19Å; F416-V418 PolarHBondContact O-N 2.78Å
419	L	62.8	Low	77	Confident	17 Å²	17	37.6 Å²	37.6	9%	0.089	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134	-177.6	-75.5	-172.9	0	0	0	112.6	T131 S132 V137 L415 F416	T131-L419 WeakPolarHBondContact O-CA 3.4Å; T131-L419 WeakPolarHBondContact O-CD2 3.29Å; S132-L419 VanDerWaalsContact CB-CD2 3.48Å; V137-L419 HydrophobicContact CG1-CD2 3.95Å; L415-L419 PolarHBondContact N-O 3.35Å; F416-L419 HydrophobicContact CD1-CB 4.05Å; F416-L419 HydrophobicContact CD2-CB 4.32Å; F416-L419 HydrophobicContact CE1-CB 3.62Å; F416-L419 HydrophobicContact CE1-CD1 3.45Å; F416-L419 VanDerWaalsContact CE1-CD1 3.45Å; F416-L419 HydrophobicContact CE1-CG 3.75Å; F416-L419 HydrophobicContact CE2-CB 3.9Å; F416-L419 HydrophobicContact CE2-CD1 4.08Å; F416-L419 HydrophobicContact CE2-CG 3.69Å; F416-L419 HydrophobicContact CG-CB 4.41Å; F416-L419 HydrophobicContact CZ-CB 3.56Å; F416-L419 HydrophobicContact CZ-CD1 3.12Å; F416-L419 HydrophobicContact CZ-CG 3.23Å; F416-L419 PolarHBondContact N-O 2.91Å; F416-L419 PolarHBondContact O-N 3.45Å
420	N	71.7	Confident	75.6	Confident	50 Å²	50	40.1 Å²	40.1	27%	0.267	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.9	171	-60.3	-16.4	0	0	0	109.5	F130 T131 E412 I413 P414	F130-N420 CarbonylContact C-O 3.47Å; F130-N420 WeakPolarHBondContact CA-O 3.38Å; T131-N420 PolarHBondContact N-O 2.96Å; T131-N420 PolarHBondContact O-N 2.96Å; T131-N420 PolarHBondContact OG1-O 3.46Å; E412-N420 HydrophobicContact CG-CB 3.88Å; E412-N420 PolarHBondContact OE1-ND2 2.61Å; I413-N420 CarbonylContact O-C 3.58Å; I413-N420 WeakPolarHBondContact O-CA 3.43Å; P414-N420 WeakPolarHBondContact CA-OD1 3.27Å; P414-N420 WeakPolarHBondContact CB-OD1 3.37Å
421	A	73.8	Confident	73.8	Confident	19 Å²	19	41.2 Å²	41.2	16%	0.157	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.7	163.5	0	0	0	0	0	108.8	F130 E412 I413 L415	F130-A421 HydrophobicContact CD1-CB 3.8Å; F130-A421 HydrophobicContact CE1-CB 3.71Å; E412-A421 CarbonylContact C-O 3.54Å; E412-A421 WeakPolarHBondContact CA-O 3.35Å; I413-A421 PolarHBondContact N-O 3.15Å; I413-A421 PolarHBondContact O-N 3.1Å; L415-A421 HydrophobicContact CD1-CB 4.03Å; L415-A421 HydrophobicContact CD2-CB 4.14Å; L415-A421 HydrophobicContact CG-CB 4.01Å
422	R	81.3	Confident	71.7	Confident	58 Å²	58	44 Å²	44	22%	0.219	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.9	178.7	-177.4	-174.6	-69	161.5	-0.3	109.8	W128 E129 K410 I411 E412 T424	W128-R422 CarbonylContact C-O 3.39Å; W128-R422 VanDerWaalsContact CA-O 3.31Å; W128-R422 WeakPolarHBondContact CA-O 3.38Å; E129-R422 HydrophobicContact CG-CB 3.98Å; E129-R422 HydrophobicContact CG-CG 4.44Å; E129-R422 PolarHBondContact N-O 2.88Å; E129-R422 PolarHBondContact O-N 3.16Å; E129-R422 WeakPolarHBondContact OE1-CD 3.29Å; E129-R422 IonicContact OE1-CZ 2.7Å; E129-R422 IonicContact OE1-NE 2.99Å; E129-R422 IonicContact OE1-NH1 3.08Å; E129-R422 PolarHBondContact OE1-NH1 2.83Å; K410-R422 HydrophobicContact CG-CG 4.35Å; I411-R422 CarbonylContact O-C 3.52Å; I411-R422 WeakPolarHBondContact O-CA 3.42Å; E412-R422 IonicContact OE1-NH2 3.57Å; E412-R422 IonicContact OE2-CZ 3.59Å; E412-R422 IonicContact OE2-NE 3.85Å; E412-R422 PolarHBondContact OE2-NE 3.49Å; E412-R422 IonicContact OE2-NH2 2.67Å; E412-R422 PolarHBondContact OE2-NH2 3.12Å; R422-T424 HydrophobicContact CG-CG2 4.13Å
423	I	84.5	Confident	69.7	Low	50 Å²	50	45.2 Å²	45.2	26%	0.256	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.4	172.9	-56.6	164.3	0	0	0	107	M126 K127 W128 K410 I411 F425	M126-I423 HydrophobicContact CG-CG2 3.8Å; M126-I423 HydrophobicContact SD-CG2 4.13Å; K127-I423 CarbonylContact O-C 3.58Å; K127-I423 WeakPolarHBondContact O-CA 3.46Å; W128-I423 HydrophobicContact CB-CG1 4.35Å; K410-I423 CarbonylContact C-O 3.59Å; K410-I423 VanDerWaalsContact CA-O 3.28Å; K410-I423 WeakPolarHBondContact CA-O 3.41Å; I411-I423 HydrophobicContact CB-CB 4.37Å; I411-I423 PolarHBondContact N-O 3.31Å; I411-I423 PolarHBondContact O-N 3.28Å; I423-F425 HydrophobicContact CG2-CE2 3.88Å; I423-F425 HydrophobicContact CG2-CZ 4.03Å
424	T	87.4	Confident	67.8	Low	18 Å²	18	46.6 Å²	46.6	11%	0.11	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.3	175.6	52.5	0	0	0	0	110.4	M126 K127 V409 K410 R422	M126-T424 WeakPolarHBondContact CA-O 3.39Å; K127-T424 PolarHBondContact N-O 2.96Å; K127-T424 PolarHBondContact O-N 3.23Å; V409-T424 WeakPolarHBondContact O-CA 3.47Å; K410-T424 HydrophobicContact CB-CG2 3.97Å; K410-T424 HydrophobicContact CD-CG2 4.1Å; K410-T424 HydrophobicContact CG-CG2 3.75Å; R422-T424 HydrophobicContact CG-CG2 4.13Å
425	F	87.9	Confident	66.1	Low	31 Å²	31	52.9 Å²	52.9	14%	0.136	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.1	173.2	-60	-92.2	0	0	0	108.4	V124 Q125 M126 N262 F370 F407 P408 V409 I411 I423	V124-F425 HydrophobicContact CG2-CB 4.43Å; V124-F425 HydrophobicContact CG2-CD1 4.3Å; Q125-F425 WeakPolarHBondContact O-CA 3Å; M126-F425 HydrophobicContact CB-CD1 4.12Å; M126-F425 HydrophobicContact CB-CE1 4.04Å; M126-F425 HydrophobicContact CG-CD1 4.1Å; M126-F425 HydrophobicContact CG-CE1 3.68Å; M126-F425 HydrophobicContact CG-CZ 4.12Å; M126-F425 HydrophobicContact SD-CE1 3.73Å; M126-F425 HydrophobicContact SD-CZ 3.96Å; N262-F425 PolarHBondContact ND2-O 2.97Å; F370-F425 HydrophobicContact CZ-CB 4.17Å; F407-F425 HydrophobicContact CE1-CB 3.9Å; F407-F425 HydrophobicContact CE1-CD1 4.18Å; F407-F425 AromaticContact CE1-CD2 3.91Å; F407-F425 HydrophobicContact CE1-CD2 3.91Å; F407-F425 HydrophobicContact CE1-CE2 4.48Å; F407-F425 AromaticContact CE1-CG 3.73Å; F407-F425 HydrophobicContact CE1-CG 3.73Å; F407-F425 HydrophobicContact CZ-CD1 4.21Å; F407-F425 HydrophobicContact CZ-CG 4.22Å; P408-F425 WeakPolarHBondContact O-CD2 3.39Å; P408-F425 WeakPolarHBondContact O-CE2 3.35Å; V409-F425 PolarHBondContact O-N 3.31Å; I411-F425 HydrophobicContact CD1-CE2 4.33Å; I423-F425 HydrophobicContact CG2-CE2 3.88Å; I423-F425 HydrophobicContact CG2-CZ 4.03Å
426	G	84.8	Confident	64.8	Low	6 Å²	6	59.8 Å²	59.8	6%	0.062	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	179.9	-175.7	0	0	0	0	0	112.5	Q125 N262 V428	Q125-G426 PolarHBondContact N-O 2.85Å; Q125-G426 PolarHBondContact O-N 3.32Å; N262-G426 WeakPolarHBondContact ND2-CA 3.49Å; G426-V428 PolarHBondContact O-N 3.13Å
427	N	81.8	Confident	63.4	Low	75 Å²	75	62.2 Å²	62.2	40%	0.401	36%	0.358	S	S	.	.			trans	47.8	44.9	-177.2	-162.3	10.7	0	0	0	112.4	Y123 Q125 N429 G430	Y123-N427 WeakPolarHBondContact CD1-O 3.33Å; Y123-N427 HydrophobicContact CE1-CB 4.48Å; Y123-N427 WeakPolarHBondContact CE1-O 3.05Å; Q125-N427 HydrophobicContact CB-CB 4.31Å; Q125-N427 HydrophobicContact CG-CB 3.93Å; Q125-N427 PolarHBondContact NE2-ND2 3.1Å; N427-N429 PolarHBondContact O-N 3.42Å; N427-G430 WeakPolarHBondContact OD1-CA 3.26Å
428	V	81	Confident	62.2	Low	12 Å²	12	62.3 Å²	62.3	7%	0.073	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	127	179.7	177.8	0	0	0	0	108.8	Y123 V124 F370 P371 L372 G426 G430	Y123-V428 CarbonylContact O-C 3.56Å; Y123-V428 VanDerWaalsContact O-CA 3.23Å; Y123-V428 WeakPolarHBondContact O-CA 3.45Å; V124-V428 HydrophobicContact CB-CG2 4.37Å; V124-V428 HydrophobicContact CG2-CG2 3.9Å; F370-V428 HydrophobicContact CE1-CG2 3.86Å; F370-V428 HydrophobicContact CE2-CG2 3.96Å; F370-V428 HydrophobicContact CZ-CG2 3.31Å; P371-V428 HydrophobicContact CB-CG1 3.86Å; P371-V428 HydrophobicContact CG-CB 4.25Å; P371-V428 HydrophobicContact CG-CG1 3.95Å; L372-V428 HydrophobicContact CD1-CG1 4.12Å; L372-V428 HydrophobicContact CD1-CG2 4.01Å; L372-V428 HydrophobicContact CD2-CG1 3.9Å; L372-V428 HydrophobicContact CG-CG1 3.78Å; L372-V428 HydrophobicContact CG-CG2 4.29Å; G426-V428 PolarHBondContact O-N 3.13Å; V428-G430 PolarHBondContact O-N 2.8Å
429	N	80.7	Confident	60.9	Low	49 Å²	49	65.9 Å²	65.9	26%	0.262	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	16.2	176.6	-59.6	-12.5	0	0	0	114.6	F122 Y123 N427 C431 F456	F122-N429 WeakPolarHBondContact CA-OD1 3.46Å; Y123-N429 PolarHBondContact N-OD1 2.86Å; Y123-N429 PolarHBondContact O-N 3.35Å; Y123-N429 PolarHBondContact O-OD1 3.21Å; N427-N429 PolarHBondContact O-N 3.42Å; N429-C431 VanDerWaalsContact C-N 3.27Å; N429-C431 PolarHBondContact O-N 3.35Å; N429-F456 HydrophobicContact CB-CB 4.04Å; N429-F456 HydrophobicContact CB-CD1 4.08Å; N429-F456 HydrophobicContact CB-CD2 3.44Å; N429-F456 VanDerWaalsContact CB-CD2 3.44Å; N429-F456 HydrophobicContact CB-CE1 4.4Å; N429-F456 HydrophobicContact CB-CE2 3.84Å; N429-F456 HydrophobicContact CB-CG 3.57Å; N429-F456 HydrophobicContact CB-CZ 4.31Å; N429-F456 WeakPolarHBondContact O-CE2 3.43Å; N429-F456 WeakPolarHBondContact OD1-CD1 3.42Å; N429-F456 WeakPolarHBondContact OD1-CE1 3.42Å
430	G	63.9	Low	59.3	Low	53 Å²	53	73.4 Å²	73.4	55%	0.546	43%	0.428	S	S	.	.			trans	-81.7	-3.9	180	0	0	0	0	0	114.1	N427 V428	N427-G430 WeakPolarHBondContact OD1-CA 3.26Å; V428-G430 PolarHBondContact O-N 2.8Å
431	C	51.7	Low	57.3	Low	44 Å²	44	78.2 Å²	78.2	30%	0.297	45%	0.453	S	S	.	.			trans	-98.5	85.2	176.9	-151.1	0	0	0	0	108.8	Y123 N429 T433 F456	Y123-C431 HydrophobicContact CD1-CB 3.79Å; Y123-C431 HydrophobicContact CE1-CB 3.87Å; Y123-C431 HydrophobicContact CG-CB 4.21Å; N429-C431 VanDerWaalsContact C-N 3.27Å; N429-C431 PolarHBondContact O-N 3.35Å; C431-T433 VanDerWaalsContact C-N 3.35Å; C431-T433 PolarHBondContact O-N 3.05Å; C431-F456 WeakPolarHBondContact O-CE2 3.42Å
432	S	44.4	Very low	55.1	Low	81 Å²	81	84.3 Å²	84.3	57%	0.566	49%	0.488	S	S	*	.			trans	-73.9	99.8	155.8	-178.9	0	0	0	0	106.2	A434 E435	S432-A434 PolarHBondContact O-N 2.67Å; S432-E435 PolarHBondContact O-N 2.69Å
433	T	44.3	Very low	52.6	Low	51 Å²	51	90.7 Å²	90.7	31%	0.313	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-1.4	174.6	33.5	0	0	0	0	113.5	C431 D459 V462	C431-T433 VanDerWaalsContact C-N 3.35Å; C431-T433 PolarHBondContact O-N 3.05Å; T433-D459 VanDerWaalsContact CB-CB 3.46Å; T433-D459 HydrophobicContact CG2-CB 4.14Å; T433-D459 WeakPolarHBondContact OG1-CB 3.4Å; T433-D459 PolarHBondContact OG1-N 3.2Å; T433-V462 HydrophobicContact CG2-CG2 3.85Å
434	A	39.9	Very low	50	Low	75 Å²	75	91.6 Å²	91.6	62%	0.62	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-12.4	178.9	0	0	0	0	0	115.3	S432	S432-A434 PolarHBondContact O-N 2.67Å
435	E	34.3	Very low	47	Very low	167 Å²	167	97.4 Å²	97.4	78%	0.78	58%	0.578	S	S	*	*			trans	-134.4	63.9	-172.8	-67.9	-169.8	170.2	0	0	114.2	S432	S432-E435 PolarHBondContact O-N 2.69Å
436	E	34.4	Very low	44.6	Very low	206 Å²	206	105.3 Å²	105.3	96%	0.963	62%	0.615	S	S	*	*	S	Bend	trans	-127.9	27.7	157	-91.7	-168.2	170.9	0	0	112.9
437	S	30	Very low	42	Very low	99 Å²	99	109.7 Å²	109.7	69%	0.692	65%	0.651	S	S	*	*	S	Bend	trans	-123.3	120.6	164.4	65.7	0	0	0	0	111.1
438	V	29.3	Very low	39.4	Very low	130 Å²	130	114.1 Å²	114.1	79%	0.788	67%	0.674	S	S	*	*			trans	95.3	85.6	168.3	-162.3	0	0	0	0	117.4
439	S	29.1	Very low	37.1	Very low	93 Å²	93	119.3 Å²	119.3	65%	0.65	71%	0.711	S	S	*	*				31.9	132	128.1	12.5	0	0	0	0	123
440	Q	29.2	Very low	34.7	Very low	175 Å²	175	121.1 Å²	121.1	82%	0.818	73%	0.733	S	S	*	*			trans	77.3	119.5	132.8	-69	-179.3	-10.2	0	0	120.3
441	N	30.4	Very low	33.5	Very low	151 Å²	151	123.5 Å²	123.5	81%	0.807	74%	0.742	S	S	*	*			trans	47.1	112	146.3	-64.1	-12.4	0	0	0	118.2
442	V	27.6	Very low	32.5	Very low	147 Å²	147	129.8 Å²	129.8	89%	0.891	77%	0.766	S	S	*	*				-160.1	130	121.3	168.1	0	0	0	0	108.7
443	E	28.5	Very low	32.4	Very low	191 Å²	191	133.6 Å²	133.6	89%	0.893	78%	0.778	S	S	*	*			trans	-65.7	136.7	169	-73	174.7	139.9	0	0	112.3
444	G	29.1	Very low	32.4	Very low	69 Å²	69	136.7 Å²	136.7	71%	0.711	80%	0.797	S	S	*	*			trans	83.1	100.8	141.9	0	0	0	0	0	117.7
445	T	25.4	Very low	33.6	Very low	141 Å²	141	140 Å²	140	87%	0.865	81%	0.805	S	S	*	*				-158	130.9	127.9	-27.7	0	0	0	0	109.8
446	Q	36.9	Very low	35.6	Very low	196 Å²	196	134 Å²	134	92%	0.916	78%	0.776	S	S	*	*			trans	-56	132.9	166.2	-80.1	168.7	-31.6	0	0	109.6
447	A	29.6	Very low	37.9	Very low	98 Å²	98	131.1 Å²	131.1	81%	0.81	76%	0.763	S	S	*	*			trans	-129	135.3	168.8	0	0	0	0	0	109.8
448	D	27.2	Very low	40.4	Very low	168 Å²	168	126.5 Å²	126.5	90%	0.898	73%	0.73	S	S	*	*			trans	-67.4	155.7	-164.5	-75.1	-52.6	0	0	0	114.9
449	S	34	Very low	43.1	Very low	122 Å²	122	123.3 Å²	123.3	85%	0.853	71%	0.709	S	S	*	*			trans	-82.6	115.5	170.6	-48.9	0	0	0	0	110.3
450	A	30.4	Very low	45.9	Very low	87 Å²	87	122.3 Å²	122.3	72%	0.719	69%	0.694	S	S	*	*			trans	-179.6	112	144.2	0	0	0	0	0	112.2
451	S	38.3	Very low	48.7	Very low	103 Å²	103	117.4 Å²	117.4	72%	0.72	68%	0.679	S	S	*	*			trans	48.3	84.9	141.6	66.3	0	0	0	0	119.2
452	H	30.9	Very low	51.4	Low	176 Å²	176	111 Å²	111	82%	0.815	65%	0.645	S	S	*	*				-129.3	108.4	128.3	-77.6	-76.2	0	0	0	106.5	T454	H452-T454 HydrophobicContact CB-CG2 4.31Å; H452-T454 PolarHBondContact O-N 2.81Å
453	I	40.9	Very low	54.4	Low	161 Å²	161	104 Å²	104	83%	0.826	60%	0.603	S	S	*	*			trans	-68.8	85.7	161.5	-60.7	172.4	0	0	0	104.2	N455	I453-N455 PolarHBondContact O-N 3.1Å
454	T	46	Very low	57.3	Low	116 Å²	116	99.6 Å²	99.6	71%	0.712	58%	0.582	S	S	*	*			trans	-67.5	115.1	163.3	48.1	0	0	0	0	105.3	H452 F456	H452-T454 HydrophobicContact CB-CG2 4.31Å; H452-T454 PolarHBondContact O-N 2.81Å; T454-F456 PolarHBondContact O-N 3.01Å; T454-F456 VanDerWaalsContact O-N 3.14Å
455	N	64.1	Low	60	Low	145 Å²	145	98.4 Å²	98.4	78%	0.775	56%	0.559	S	S	*	*			trans	-50.6	125	169.8	-73.6	-14.3	0	0	0	107.3	I453 E457	I453-N455 PolarHBondContact O-N 3.1Å; N455-E457 PolarHBondContact O-N 3.16Å
456	F	77.4	Confident	62.8	Low	39 Å²	39	94.4 Å²	94.4	17%	0.171	54%	0.536	C	S	.	.			trans	-60.1	125.7	175.7	172.2	-98.4	0	0	0	108.2	D121 Y123 N429 C431 T454 V458	D121-F456 WeakPolarHBondContact CB-O 3.21Å; Y123-F456 VanDerWaalsContact N-CE1 3.31Å; N429-F456 HydrophobicContact CB-CB 4.04Å; N429-F456 HydrophobicContact CB-CD1 4.08Å; N429-F456 HydrophobicContact CB-CD2 3.44Å; N429-F456 VanDerWaalsContact CB-CD2 3.44Å; N429-F456 HydrophobicContact CB-CE1 4.4Å; N429-F456 HydrophobicContact CB-CE2 3.84Å; N429-F456 HydrophobicContact CB-CG 3.57Å; N429-F456 HydrophobicContact CB-CZ 4.31Å; N429-F456 WeakPolarHBondContact O-CE2 3.43Å; N429-F456 WeakPolarHBondContact OD1-CD1 3.42Å; N429-F456 WeakPolarHBondContact OD1-CE1 3.42Å; C431-F456 WeakPolarHBondContact O-CE2 3.42Å; T454-F456 PolarHBondContact O-N 3.01Å; T454-F456 VanDerWaalsContact O-N 3.14Å; F456-V458 HydrophobicContact CD1-CG2 4.23Å; F456-V458 HydrophobicContact CE1-CG2 3.44Å; F456-V458 VanDerWaalsContact CE1-CG2 3.44Å; F456-V458 HydrophobicContact CZ-CG2 4.11Å
457	E	81.3	Confident	65.1	Low	146 Å²	146	94.9 Å²	94.9	68%	0.682	54%	0.538	S	S	*	.			trans	-116.4	128.4	179.6	-171	175.2	-179.5	0	0	108.2	N455	N455-E457 PolarHBondContact O-N 3.16Å
458	V	83.9	Confident	67.7	Low	2 Å²	2	94.2 Å²	94.2	1%	0.012	53%	0.527	C	S	.	.			trans	-84.6	130.3	175.3	176.5	0	0	0	0	108.4	W149 K150 F456 Q460 V462 F463	W149-V458 HydrophobicContact CB-CG1 4.17Å; W149-V458 HydrophobicContact CG-CG1 4.42Å; K150-V458 WeakPolarHBondContact O-CG2 3.39Å; F456-V458 HydrophobicContact CD1-CG2 4.23Å; F456-V458 HydrophobicContact CE1-CG2 3.44Å; F456-V458 VanDerWaalsContact CE1-CG2 3.44Å; F456-V458 HydrophobicContact CZ-CG2 4.11Å; V458-Q460 PolarHBondContact O-N 3.48Å; V458-Q460 PolarHBondContact O-NE2 2.87Å; V458-V462 HydrophobicContact CG1-CB 4.43Å; V458-F463 HydrophobicContact CB-CE2 4.48Å; V458-F463 HydrophobicContact CG1-CE2 3.75Å; V458-F463 HydrophobicContact CG1-CZ 3.99Å
459	D	85.5	Confident	70.7	Confident	63 Å²	63	88.2 Å²	88.2	34%	0.337	49%	0.492	S	S	.	.			trans	-62.4	129.9	173.9	-175.5	-40.1	0	0	0	110.9	T433 S461 V462	T433-D459 VanDerWaalsContact CB-CB 3.46Å; T433-D459 HydrophobicContact CG2-CB 4.14Å; T433-D459 WeakPolarHBondContact OG1-CB 3.4Å; T433-D459 PolarHBondContact OG1-N 3.2Å; D459-S461 PolarHBondContact O-N 3.17Å; D459-S461 WeakPolarHBondContact OD1-CB 3.47Å; D459-S461 PolarHBondContact OD1-N 2.7Å; D459-S461 PolarHBondContact OD1-OG 3.21Å; D459-V462 WeakPolarHBondContact O-CB 3.41Å; D459-V462 WeakPolarHBondContact O-CG2 3.33Å; D459-V462 PolarHBondContact O-N 2.74Å; D459-V462 VanDerWaalsContact O-N 3.16Å
460	Q	87.9	Confident	73.2	Confident	73 Å²	73	89.9 Å²	89.9	34%	0.341	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-62.7	-25.1	-175.4	-61.9	-60.2	-44.6	0	0	113	S151 V458 V462 F463	S151-Q460 PolarHBondContact OG-NE2 2.85Å; V458-Q460 PolarHBondContact O-N 3.48Å; V458-Q460 PolarHBondContact O-NE2 2.87Å; Q460-V462 PolarHBondContact O-N 3.2Å; Q460-V462 VanDerWaalsContact O-N 3.17Å; Q460-F463 PolarHBondContact O-N 2.94Å
461	S	87.4	Confident	75.7	Confident	72 Å²	72	89 Å²	89	50%	0.503	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-60.1	-23.5	176.8	63	0	0	0	0	113.4	D459 F463 E464	D459-S461 PolarHBondContact O-N 3.17Å; D459-S461 WeakPolarHBondContact OD1-CB 3.47Å; D459-S461 PolarHBondContact OD1-N 2.7Å; D459-S461 PolarHBondContact OD1-OG 3.21Å; S461-F463 PolarHBondContact O-N 2.74Å; S461-E464 PolarHBondContact O-N 3.32Å; S461-E464 VanDerWaalsContact O-N 3.11Å
462	V	88.3	Confident	77.7	Confident	17 Å²	17	87.7 Å²	87.7	10%	0.103	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-63.7	-23.8	175.9	175.5	0	0	0	0	111.8	W149 R156 T433 V458 D459 Q460	W149-V462 HydrophobicContact CB-CG1 4.23Å; W149-V462 HydrophobicContact CD2-CG1 3.9Å; W149-V462 HydrophobicContact CE3-CG1 4.47Å; W149-V462 HydrophobicContact CG-CG1 3.79Å; R156-V462 WeakPolarHBondContact CD-O 3.45Å; R156-V462 PolarHBondContact NH1-O 2.88Å; T433-V462 HydrophobicContact CG2-CG2 3.85Å; V458-V462 HydrophobicContact CG1-CB 4.43Å; D459-V462 WeakPolarHBondContact O-CB 3.41Å; D459-V462 WeakPolarHBondContact O-CG2 3.33Å; D459-V462 PolarHBondContact O-N 2.74Å; D459-V462 VanDerWaalsContact O-N 3.16Å; Q460-V462 PolarHBondContact O-N 3.2Å; Q460-V462 VanDerWaalsContact O-N 3.17Å
463	F	89.6	Confident	79.2	Confident	0 Å²	0	85.8 Å²	85.8	0%	0	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-96.6	1.1	178.2	-52.7	-79	0	0	0	113.4	W149 S151 K154 R156 I177 K179 V458 Q460 S461	W149-F463 HydrophobicContact CB-CE1 4.39Å; W149-F463 HydrophobicContact CB-CZ 4.2Å; S151-F463 VanDerWaalsContact CB-CE2 3.48Å; K154-F463 HydrophobicContact CB-CD1 3.69Å; K154-F463 HydrophobicContact CB-CD2 4.24Å; K154-F463 HydrophobicContact CB-CE1 3.71Å; K154-F463 HydrophobicContact CB-CE2 4.26Å; K154-F463 HydrophobicContact CB-CG 3.97Å; K154-F463 HydrophobicContact CB-CZ 4Å; K154-F463 HydrophobicContact CD-CB 4.11Å; K154-F463 HydrophobicContact CD-CD1 4.48Å; K154-F463 HydrophobicContact CD-CD2 3.89Å; K154-F463 HydrophobicContact CD-CE2 4.46Å; K154-F463 HydrophobicContact CD-CG 3.9Å; R156-F463 HydrophobicContact CB-CD1 3.95Å; R156-F463 HydrophobicContact CB-CE1 3.88Å; I177-F463 HydrophobicContact CG2-CB 4.26Å; I177-F463 HydrophobicContact CG2-CD1 4.29Å; K179-F463 WeakPolarHBondContact CE-O 3.49Å; K179-F463 PolarHBondContact NZ-O 3.25Å; V458-F463 HydrophobicContact CB-CE2 4.48Å; V458-F463 HydrophobicContact CG1-CE2 3.75Å; V458-F463 HydrophobicContact CG1-CZ 3.99Å; Q460-F463 PolarHBondContact O-N 2.94Å; S461-F463 PolarHBondContact O-N 2.74Å
464	E	88.8	Confident	79.7	Confident	97 Å²	97	81.1 Å²	81.1	45%	0.453	42%	0.422	S	S	.	.	S	Bend	trans	-97.7	143.2	-178.6	-61.7	-51.2	138.5	0	0	112	K179 S461	K179-E464 IonicContact NZ-OE1 3.93Å; K179-E464 PolarHBondContact NZ-OE1 2.95Å; K179-E464 IonicContact NZ-OE2 2.82Å; K179-E464 PolarHBondContact NZ-OE2 3.12Å; S461-E464 PolarHBondContact O-N 3.32Å; S461-E464 VanDerWaalsContact O-N 3.11Å
465	I	86.2	Confident	79.9	Confident	44 Å²	44	78.6 Å²	78.6	23%	0.226	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-73.6	132.3	175.9	-59	159.7	0	0	0	108.4	M188 V197 E467 Y469 V471	M188-I465 HydrophobicContact CE-CD1 3.07Å; M188-I465 HydrophobicContact CE-CG1 3.31Å; V197-I465 HydrophobicContact CB-CD1 4.33Å; V197-I465 HydrophobicContact CG1-CD1 3.93Å; V197-I465 HydrophobicContact CG1-CG1 4.23Å; V197-I465 HydrophobicContact CG2-CD1 4.32Å; V197-I465 HydrophobicContact CG2-CG1 4.19Å; V197-I465 HydrophobicContact CG2-CG2 3.66Å; I465-E467 PolarHBondContact O-N 2.82Å; I465-Y469 HydrophobicContact CG2-CG 4.34Å; I465-V471 HydrophobicContact CD1-CG2 3.93Å
466	P	84.9	Confident	79.1	Confident	58 Å²	58	80.3 Å²	80.3	38%	0.377	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-62.4	135	171.7	-19.6	31.3	0	0	0	111.6	S468 Y469	P466-S468 PolarHBondContact O-N 3.38Å; P466-Y469 HydrophobicContact CB-CD1 3.73Å; P466-Y469 HydrophobicContact CB-CE1 3.86Å; P466-Y469 HydrophobicContact CG-CD1 4.03Å; P466-Y469 HydrophobicContact CG-CE1 3.87Å; P466-Y469 WeakPolarHBondContact O-CB 3.42Å; P466-Y469 PolarHBondContact O-N 2.79Å
467	E	83.8	Confident	77.1	Confident	206 Å²	206	82.8 Å²	82.8	96%	0.963	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-22	-176.6	-63.3	-177	171.1	0	0	114.9	I465 Y469	I465-E467 PolarHBondContact O-N 2.82Å; E467-Y469 VanDerWaalsContact C-N 3.25Å; E467-Y469 PolarHBondContact O-N 3.44Å
468	S	85.9	Confident	75	Confident	84 Å²	84	80.8 Å²	80.8	59%	0.587	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-0.7	179.1	65.3	0	0	0	0	115	P466	P466-S468 PolarHBondContact O-N 3.38Å
469	Y	89.2	Confident	72.9	Confident	41 Å²	41	84.3 Å²	84.3	16%	0.161	44%	0.443	C	S	.	.	S	Bend	trans	-98.7	143.9	-174.7	-75.8	46.8	0	0	0	110.4	V190 H192 K195 V197 I465 P466 E467	V190-Y469 HydrophobicContact CG1-CD2 3.79Å; V190-Y469 HydrophobicContact CG1-CE2 3.59Å; H192-Y469 AromaticContact ND1-CE2 3.44Å; H192-Y469 WeakPolarHBondContact ND1-CE2 3.42Å; H192-Y469 AromaticContact ND1-CZ 3.5Å; H192-Y469 PolarHBondContact ND1-OH 2.68Å; K195-Y469 HydrophobicContact CB-CD1 4.03Å; K195-Y469 HydrophobicContact CB-CD2 4.02Å; K195-Y469 HydrophobicContact CB-CE1 4.18Å; K195-Y469 HydrophobicContact CB-CE2 4.19Å; K195-Y469 HydrophobicContact CB-CG 3.93Å; K195-Y469 HydrophobicContact CD-CD1 4.48Å; K195-Y469 HydrophobicContact CD-CE1 4.26Å; K195-Y469 HydrophobicContact CG-CD1 4.29Å; K195-Y469 HydrophobicContact CG-CE1 3.98Å; K195-Y469 HydrophobicContact CG-CE2 4.39Å; K195-Y469 CarbonylContact O-C 3.53Å; K195-Y469 VanDerWaalsContact O-CA 3.31Å; K195-Y469 WeakPolarHBondContact O-CA 3.44Å; K195-Y469 WeakPolarHBondContact O-CB 2.86Å; V197-Y469 HydrophobicContact CG2-CD2 4.02Å; I465-Y469 HydrophobicContact CG2-CG 4.34Å; P466-Y469 HydrophobicContact CB-CD1 3.73Å; P466-Y469 HydrophobicContact CB-CE1 3.86Å; P466-Y469 HydrophobicContact CG-CD1 4.03Å; P466-Y469 HydrophobicContact CG-CE1 3.87Å; P466-Y469 WeakPolarHBondContact O-CB 3.42Å; P466-Y469 PolarHBondContact O-N 2.79Å; E467-Y469 VanDerWaalsContact C-N 3.25Å; E467-Y469 PolarHBondContact O-N 3.44Å
470	Y	87.4	Confident	70.6	Confident	158 Å²	158	87 Å²	87	62%	0.62	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	120.6	177.6	178.8	-99.3	0	0	0	110.2	K195 V196 V197 Q472	K195-Y470 PolarHBondContact O-N 2.75Å; V196-Y470 CarbonylContact C-O 3.58Å; V196-Y470 WeakPolarHBondContact CA-O 3.39Å; V197-Y470 PolarHBondContact N-O 2.87Å; Y470-Q472 HydrophobicContact CD1-CB 4.37Å; Y470-Q472 HydrophobicContact CE1-CB 4.02Å
471	V	82.9	Confident	68.3	Low	69 Å²	69	87.2 Å²	87.2	42%	0.418	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	114.5	176	-175.1	0	0	0	0	108.9	V197 I465	V197-V471 HydrophobicContact CB-CG2 4.44Å; I465-V471 HydrophobicContact CD1-CG2 3.93Å
472	Q	79	Confident	66	Low	74 Å²	74	86.1 Å²	86.1	35%	0.346	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	103.6	172.3	-174.8	170.9	-3.3	0	0	108.7	V196 V197 Y470 N474	V196-Q472 HydrophobicContact CG1-CB 4.2Å; V197-Q472 PolarHBondContact O-N 2.94Å; Y470-Q472 HydrophobicContact CD1-CB 4.37Å; Y470-Q472 HydrophobicContact CE1-CB 4.02Å; Q472-N474 VanDerWaalsContact C-N 3.25Å; Q472-N474 WeakPolarHBondContact CG-OD1 3.41Å; Q472-N474 PolarHBondContact NE2-ND2 3.15Å; Q472-N474 PolarHBondContact NE2-OD1 3.21Å; Q472-N474 PolarHBondContact O-N 3.25Å
473	D	62.7	Low	63.5	Low	137 Å²	137	89.6 Å²	89.6	73%	0.733	46%	0.461	S	S	*	.			trans	-76.7	80.6	170.7	-172.1	15.4	0	0	0	109	G475	D473-G475 VanDerWaalsContact C-N 3.25Å; D473-G475 PolarHBondContact O-N 3.06Å; D473-G475 VanDerWaalsContact O-N 3.1Å
474	N	51.2	Low	61.1	Low	63 Å²	63	94 Å²	94	34%	0.337	49%	0.485	S	S	.	.			trans	-80.9	83	168.9	-83.1	-11.2	0	0	0	107.6	Q472 R476	Q472-N474 VanDerWaalsContact C-N 3.25Å; Q472-N474 WeakPolarHBondContact CG-OD1 3.41Å; Q472-N474 PolarHBondContact NE2-ND2 3.15Å; Q472-N474 PolarHBondContact NE2-OD1 3.21Å; Q472-N474 PolarHBondContact O-N 3.25Å; N474-R476 PolarHBondContact O-N 2.89Å
475	G	49.6	Very low	58.8	Low	63 Å²	63	92.3 Å²	92.3	65%	0.649	48%	0.475	S	S	*	.			trans	-45.1	120	169.8	0	0	0	0	0	110.9	D473	D473-G475 VanDerWaalsContact C-N 3.25Å; D473-G475 PolarHBondContact O-N 3.06Å; D473-G475 VanDerWaalsContact O-N 3.1Å
476	R	47.7	Very low	56.6	Low	180 Å²	180	93 Å²	93	68%	0.679	48%	0.477	S	S	*	.			trans	47.6	95.2	175.6	-72	-179.5	172.9	172.3	0.2	115.3	R210 N474	R210-R476 VanDerWaalsContact NH1-NH2 3.1Å; N474-R476 PolarHBondContact O-N 2.89Å
477	N	35.2	Very low	54.3	Low	92 Å²	92	93.9 Å²	93.9	49%	0.492	48%	0.478	S	S	.	.			trans	-122.1	93.7	139.3	-86.1	-60	0	0	0	108.4	H479	N477-H479 HydrophobicContact CB-CB 4.23Å; N477-H479 PolarHBondContact O-N 3.36Å
478	V	38.8	Very low	52	Low	104 Å²	104	88.9 Å²	88.9	63%	0.63	46%	0.456	S	S	*	.			trans	-69.3	74.4	152.7	-179	0	0	0	0	106
479	H	38	Very low	49.6	Very low	75 Å²	75	87 Å²	87	35%	0.347	44%	0.438	S	S	.	.			trans	-141.7	65.7	173.3	-134.9	51.4	0	0	0	106.3	K219 N477 Q481	K219-H479 PolarHBondContact NZ-CE1 3.42Å; K219-H479 PolarHBondContact NZ-NE2 2.96Å; N477-H479 HydrophobicContact CB-CB 4.23Å; N477-H479 PolarHBondContact O-N 3.36Å; H479-Q481 HydrophobicContact CB-CG 4.48Å; H479-Q481 WeakPolarHBondContact CD2-CG 3.41Å; H479-Q481 PolarHBondContact O-N 2.71Å
480	L	37.6	Very low	47.1	Very low	121 Å²	121	90.1 Å²	90.1	63%	0.634	45%	0.453	S	S	*	.			trans	-57.9	91.9	143.5	-76.6	166.3	0	0	0	104.9	T388 D482	T388-L480 HydrophobicContact CG2-CD1 3.88Å; L480-D482 PolarHBondContact O-N 3.17Å; L480-D482 VanDerWaalsContact O-N 3.15Å
481	Q	41.1	Very low	44.6	Very low	76 Å²	76	83.2 Å²	83.2	36%	0.355	43%	0.428	S	S	.	.			trans	-58.8	118.8	-170.9	-92	174.3	-20.6	0	0	108.3	H479 E483 D484 Y485	H479-Q481 HydrophobicContact CB-CG 4.48Å; H479-Q481 WeakPolarHBondContact CD2-CG 3.41Å; H479-Q481 PolarHBondContact O-N 2.71Å; Q481-E483 HydrophobicContact CB-CB 4.01Å; Q481-E483 HydrophobicContact CG-CB 4.42Å; Q481-E483 PolarHBondContact O-N 3.36Å; Q481-D484 PolarHBondContact O-N 3.15Å; Q481-Y485 PolarHBondContact O-N 3.28Å
482	D	38.2	Very low	42.5	Very low	50 Å²	50	83.7 Å²	83.7	27%	0.267	43%	0.427	S	S	.	.	H	α-helix	trans	-50.5	-21.2	157.8	-82.7	-52.7	0	0	0	111.1	L480 E486	L480-D482 PolarHBondContact O-N 3.17Å; L480-D482 VanDerWaalsContact O-N 3.15Å; D482-E486 WeakPolarHBondContact O-CB 3.46Å; D482-E486 WeakPolarHBondContact O-CG 3.21Å; D482-E486 PolarHBondContact O-N 3.27Å
483	E	35.1	Very low	40.5	Very low	89 Å²	89	83.5 Å²	83.5	42%	0.416	43%	0.426	S	S	.	.	H	α-helix	trans	-63.8	-43.5	172.8	-53.8	-176.5	175	0	0	112	Q481 E486 I487	Q481-E483 HydrophobicContact CB-CB 4.01Å; Q481-E483 HydrophobicContact CG-CB 4.42Å; Q481-E483 PolarHBondContact O-N 3.36Å; E483-E486 PolarHBondContact O-N 3.32Å; E483-I487 VanDerWaalsContact O-CB 3.3Å; E483-I487 WeakPolarHBondContact O-CB 3.41Å; E483-I487 VanDerWaalsContact O-CD1 3.26Å; E483-I487 WeakPolarHBondContact O-CD1 3.33Å; E483-I487 WeakPolarHBondContact O-CG1 3.41Å; E483-I487 PolarHBondContact O-N 2.97Å
484	D	39.7	Very low	39.2	Very low	94 Å²	94	78.6 Å²	78.6	50%	0.503	40%	0.399	S	S	.	.	H	α-helix	trans	-71.6	-33.8	176.7	-72.6	-29	0	0	0	112.5	Q481 I487 M488	Q481-D484 PolarHBondContact O-N 3.15Å; D484-I487 PolarHBondContact O-N 3.04Å; D484-M488 VanDerWaalsContact O-CB 3.25Å; D484-M488 WeakPolarHBondContact O-CB 3.19Å; D484-M488 PolarHBondContact O-N 2.75Å
485	Y	40.9	Very low	38.6	Very low	61 Å²	61	77.3 Å²	77.3	24%	0.239	40%	0.395	C	S	.	.	H	α-helix	trans	-65.8	-39.6	174.4	178.2	-100	0	0	0	111.4	A390 H391 Q481 Q489	A390-Y485 HydrophobicContact CB-CE2 3.68Å; A390-Y485 WeakPolarHBondContact CB-OH 3.47Å; H391-Y485 AromaticContact CD2-CD2 3.71Å; H391-Y485 AromaticContact CD2-CE2 3.54Å; H391-Y485 AromaticContact NE2-CD2 3.63Å; H391-Y485 AromaticContact NE2-CE2 3.42Å; H391-Y485 WeakPolarHBondContact NE2-CE2 3.31Å; Q481-Y485 PolarHBondContact O-N 3.28Å; Y485-Q489 WeakPolarHBondContact O-CB 3.33Å; Y485-Q489 PolarHBondContact O-N 3.27Å; Y485-Q489 PolarHBondContact OH-OE1 3.07Å
486	E	40.3	Very low	38	Very low	58 Å²	58	78 Å²	78	27%	0.271	38%	0.383	S	S	.	.	H	α-helix	trans	-77.4	-34.1	174.3	-75.8	-178.3	-162	0	0	113.3	R225 D482 E483 M488 Q489 F490	R225-E486 IonicContact CZ-OE1 3.48Å; R225-E486 IonicContact CZ-OE2 2.68Å; R225-E486 IonicContact NE-OE1 3.55Å; R225-E486 IonicContact NE-OE2 3.68Å; R225-E486 VanDerWaalsContact NH1-CD 3.28Å; R225-E486 IonicContact NH1-OE1 3.33Å; R225-E486 PolarHBondContact NH1-OE1 3.33Å; R225-E486 IonicContact NH1-OE2 3.95Å; R225-E486 PolarHBondContact NH1-OE2 2.78Å; R225-E486 VanDerWaalsContact NH2-CD 3.35Å; R225-E486 IonicContact NH2-OE1 2.89Å; R225-E486 PolarHBondContact NH2-OE1 2.87Å; R225-E486 IonicContact NH2-OE2 3.07Å; R225-E486 PolarHBondContact NH2-OE2 2.92Å; D482-E486 WeakPolarHBondContact O-CB 3.46Å; D482-E486 WeakPolarHBondContact O-CG 3.21Å; D482-E486 PolarHBondContact O-N 3.27Å; E483-E486 PolarHBondContact O-N 3.32Å; E486-M488 VanDerWaalsContact C-N 3.32Å; E486-Q489 PolarHBondContact O-N 3.2Å; E486-F490 WeakPolarHBondContact O-CA 3.28Å; E486-F490 WeakPolarHBondContact O-CB 3.48Å; E486-F490 PolarHBondContact O-N 2.79Å
487	I	35.6	Very low	37.5	Very low	77 Å²	77	71.2 Å²	71.2	40%	0.395	36%	0.361	S	S	.	.	H	α-helix	trans	-65.2	-38.6	172.1	-69.9	160	0	0	0	109.6	E483 D484 A491	E483-I487 VanDerWaalsContact O-CB 3.3Å; E483-I487 WeakPolarHBondContact O-CB 3.41Å; E483-I487 VanDerWaalsContact O-CD1 3.26Å; E483-I487 WeakPolarHBondContact O-CD1 3.33Å; E483-I487 WeakPolarHBondContact O-CG1 3.41Å; E483-I487 PolarHBondContact O-N 2.97Å; D484-I487 PolarHBondContact O-N 3.04Å; I487-A491 WeakPolarHBondContact O-CA 3.13Å; I487-A491 WeakPolarHBondContact O-CB 3Å; I487-A491 PolarHBondContact O-N 2.77Å
488	M	35	Very low	37.6	Very low	100 Å²	100	68.9 Å²	68.9	49%	0.493	35%	0.346	S	S	.	.	H	α-helix	trans	-72.2	-41.1	175.1	-170.2	179.4	-62.7	0	0	112.1	D484 E486 A491 I492	D484-M488 VanDerWaalsContact O-CB 3.25Å; D484-M488 WeakPolarHBondContact O-CB 3.19Å; D484-M488 PolarHBondContact O-N 2.75Å; E486-M488 VanDerWaalsContact C-N 3.32Å; M488-A491 PolarHBondContact O-N 3.3Å; M488-I492 HydrophobicContact CG-CD1 4.13Å; M488-I492 WeakPolarHBondContact O-CB 3.48Å; M488-I492 WeakPolarHBondContact O-CD1 3.24Å; M488-I492 WeakPolarHBondContact O-CG1 3.45Å; M488-I492 PolarHBondContact O-N 3.25Å
489	Q	35.8	Very low	37.6	Very low	45 Å²	45	66 Å²	66	21%	0.21	33%	0.331	C	S	.	.	H	α-helix	trans	-70.3	-37.6	176.7	-174	166.1	-28.1	0	0	112.2	Y485 E486 Q493	Y485-Q489 WeakPolarHBondContact O-CB 3.33Å; Y485-Q489 PolarHBondContact O-N 3.27Å; Y485-Q489 PolarHBondContact OH-OE1 3.07Å; E486-Q489 PolarHBondContact O-N 3.2Å; Q489-Q493 VanDerWaalsContact O-CB 3.29Å; Q489-Q493 WeakPolarHBondContact O-CB 3.46Å; Q489-Q493 WeakPolarHBondContact O-CG 3.3Å; Q489-Q493 PolarHBondContact O-N 3.29Å
490	F	36.8	Very low	37.6	Very low	107 Å²	107	64 Å²	64	47%	0.469	33%	0.325	S	S	.	.	H	α-helix	trans	-67.2	-41.1	169.1	-179.5	-98.9	0	0	0	110.4	E486 I492 Q493 Q494	E486-F490 WeakPolarHBondContact O-CA 3.28Å; E486-F490 WeakPolarHBondContact O-CB 3.48Å; E486-F490 PolarHBondContact O-N 2.79Å; F490-I492 VanDerWaalsContact C-N 3.34Å; F490-I492 PolarHBondContact O-N 3.01Å; F490-Q493 PolarHBondContact O-N 3.33Å; F490-Q494 HydrophobicContact CD1-CG 3.76Å; F490-Q494 HydrophobicContact CD2-CG 3.92Å; F490-Q494 HydrophobicContact CE1-CG 3.48Å; F490-Q494 VanDerWaalsContact CE1-CG 3.48Å; F490-Q494 HydrophobicContact CE2-CG 3.67Å; F490-Q494 HydrophobicContact CG-CG 3.97Å; F490-Q494 HydrophobicContact CZ-CG 3.43Å; F490-Q494 VanDerWaalsContact CZ-CG 3.43Å; F490-Q494 VanDerWaalsContact CZ-NE2 3.32Å; F490-Q494 WeakPolarHBondContact O-CA 3.16Å; F490-Q494 WeakPolarHBondContact O-CB 3.44Å; F490-Q494 VanDerWaalsContact O-CG 3.23Å; F490-Q494 WeakPolarHBondContact O-CG 3.26Å; F490-Q494 PolarHBondContact O-N 3.04Å
491	A	34.7	Very low	37.6	Very low	12 Å²	12	66 Å²	66	10%	0.099	33%	0.325	C	S	.	.	H	α-helix	trans	-64.3	-37.9	175.1	0	0	0	0	0	111.8	F164 I487 M488 S495	F164-A491 HydrophobicContact CB-CB 3.8Å; I487-A491 WeakPolarHBondContact O-CA 3.13Å; I487-A491 WeakPolarHBondContact O-CB 3Å; I487-A491 PolarHBondContact O-N 2.77Å; M488-A491 PolarHBondContact O-N 3.3Å; A491-S495 WeakPolarHBondContact O-CA 3.14Å; A491-S495 WeakPolarHBondContact O-CB 3.36Å; A491-S495 PolarHBondContact O-N 2.96Å; A491-S495 PolarHBondContact O-OG 2.64Å
492	I	39.6	Very low	37.3	Very low	80 Å²	80	67.2 Å²	67.2	41%	0.41	34%	0.341	S	S	.	.	H	α-helix	trans	-70.6	-47.5	174.2	-69.2	164	0	0	0	110	M488 F490 S495 L496	M488-I492 HydrophobicContact CG-CD1 4.13Å; M488-I492 WeakPolarHBondContact O-CB 3.48Å; M488-I492 WeakPolarHBondContact O-CD1 3.24Å; M488-I492 WeakPolarHBondContact O-CG1 3.45Å; M488-I492 PolarHBondContact O-N 3.25Å; F490-I492 VanDerWaalsContact C-N 3.34Å; F490-I492 PolarHBondContact O-N 3.01Å; I492-S495 PolarHBondContact O-N 3.49Å; I492-L496 HydrophobicContact CG2-CD1 3.85Å; I492-L496 HydrophobicContact CG2-CG 4.5Å; I492-L496 WeakPolarHBondContact O-CB 3.37Å; I492-L496 WeakPolarHBondContact O-CD1 3.46Å; I492-L496 WeakPolarHBondContact O-CG 3.48Å; I492-L496 PolarHBondContact O-N 3.06Å
493	Q	37.3	Very low	37.4	Very low	69 Å²	69	71.1 Å²	71.1	32%	0.322	36%	0.358	S	S	.	.	H	α-helix	trans	-63.6	-44.7	177.4	-80	-178.9	-36.6	0	0	112	Q489 F490 L496 L497	Q489-Q493 VanDerWaalsContact O-CB 3.29Å; Q489-Q493 WeakPolarHBondContact O-CB 3.46Å; Q489-Q493 WeakPolarHBondContact O-CG 3.3Å; Q489-Q493 PolarHBondContact O-N 3.29Å; F490-Q493 PolarHBondContact O-N 3.33Å; Q493-L496 CarbonylContact O-C 3.59Å; Q493-L496 WeakPolarHBondContact O-CA 3.45Å; Q493-L496 WeakPolarHBondContact O-CB 3.36Å; Q493-L496 PolarHBondContact O-N 3.22Å; Q493-L497 HydrophobicContact CB-CD1 4.34Å; Q493-L497 VanDerWaalsContact O-CB 3.24Å; Q493-L497 WeakPolarHBondContact O-CB 3.28Å; Q493-L497 VanDerWaalsContact O-CD1 3.29Å; Q493-L497 WeakPolarHBondContact O-CD1 3.49Å; Q493-L497 WeakPolarHBondContact O-CG 3.4Å; Q493-L497 PolarHBondContact O-N 3.01Å
494	Q	35.7	Very low	37.3	Very low	35 Å²	35	74.6 Å²	74.6	16%	0.164	37%	0.374	C	S	.	.	H	α-helix	trans	-67.6	-37.3	173.2	-68.6	-59.5	-3.6	0	0	111.8	F164 F490 L496 L497 E498	F164-Q494 HydrophobicContact CE1-CB 4.36Å; F490-Q494 HydrophobicContact CD1-CG 3.76Å; F490-Q494 HydrophobicContact CD2-CG 3.92Å; F490-Q494 HydrophobicContact CE1-CG 3.48Å; F490-Q494 VanDerWaalsContact CE1-CG 3.48Å; F490-Q494 HydrophobicContact CE2-CG 3.67Å; F490-Q494 HydrophobicContact CG-CG 3.97Å; F490-Q494 HydrophobicContact CZ-CG 3.43Å; F490-Q494 VanDerWaalsContact CZ-CG 3.43Å; F490-Q494 VanDerWaalsContact CZ-NE2 3.32Å; F490-Q494 WeakPolarHBondContact O-CA 3.16Å; F490-Q494 WeakPolarHBondContact O-CB 3.44Å; F490-Q494 VanDerWaalsContact O-CG 3.23Å; F490-Q494 WeakPolarHBondContact O-CG 3.26Å; F490-Q494 PolarHBondContact O-N 3.04Å; Q494-L496 PolarHBondContact O-N 3.22Å; Q494-L497 CarbonylContact O-C 3.6Å; Q494-L497 PolarHBondContact O-N 3.39Å; Q494-E498 HydrophobicContact CB-CG 4.36Å; Q494-E498 WeakPolarHBondContact O-CA 3.29Å; Q494-E498 VanDerWaalsContact O-CB 3.23Å; Q494-E498 WeakPolarHBondContact O-CB 3.18Å; Q494-E498 PolarHBondContact O-N 3.43Å; Q494-E498 VanDerWaalsContact OE1-CD 3.29Å; Q494-E498 PolarHBondContact OE1-OE1 3.06Å
495	S	37.6	Very low	36.9	Very low	36 Å²	36	77 Å²	77	25%	0.252	39%	0.386	S	S	.	.	H	α-helix	trans	-61.8	-35.3	171.2	-68	0	0	0	0	111.8	A491 I492	A491-S495 WeakPolarHBondContact O-CA 3.14Å; A491-S495 WeakPolarHBondContact O-CB 3.36Å; A491-S495 PolarHBondContact O-N 2.96Å; A491-S495 PolarHBondContact O-OG 2.64Å; I492-S495 PolarHBondContact O-N 3.49Å
496	L	37.9	Very low	36.3	Very low	77 Å²	77	78.7 Å²	78.7	40%	0.403	41%	0.407	S	S	.	.	H	α-helix	trans	-75	-25.9	174	-66.6	166.8	0	0	0	112.7	L415 I492 Q493 Q494	L415-L496 HydrophobicContact CD2-CD2 4.35Å; I492-L496 HydrophobicContact CG2-CD1 3.85Å; I492-L496 HydrophobicContact CG2-CG 4.5Å; I492-L496 WeakPolarHBondContact O-CB 3.37Å; I492-L496 WeakPolarHBondContact O-CD1 3.46Å; I492-L496 WeakPolarHBondContact O-CG 3.48Å; I492-L496 PolarHBondContact O-N 3.06Å; Q493-L496 CarbonylContact O-C 3.59Å; Q493-L496 WeakPolarHBondContact O-CA 3.45Å; Q493-L496 WeakPolarHBondContact O-CB 3.36Å; Q493-L496 PolarHBondContact O-N 3.22Å; Q494-L496 PolarHBondContact O-N 3.22Å
497	L	36	Very low	35.8	Very low	38 Å²	38	79 Å²	79	20%	0.199	43%	0.426	C	S	.	.	H	α-helix	trans	-97.6	-47.3	-176.7	-71	161.7	0	0	0	113.6	N298 E301 Q493 Q494 S500	N298-L497 VanDerWaalsContact ND2-C 3.29Å; N298-L497 PolarHBondContact ND2-O 2.9Å; E301-L497 HydrophobicContact CG-CD2 3.92Å; E301-L497 WeakPolarHBondContact OE1-CD2 3.4Å; Q493-L497 HydrophobicContact CB-CD1 4.34Å; Q493-L497 VanDerWaalsContact O-CB 3.24Å; Q493-L497 WeakPolarHBondContact O-CB 3.28Å; Q493-L497 VanDerWaalsContact O-CD1 3.29Å; Q493-L497 WeakPolarHBondContact O-CD1 3.49Å; Q493-L497 WeakPolarHBondContact O-CG 3.4Å; Q493-L497 PolarHBondContact O-N 3.01Å; Q494-L497 CarbonylContact O-C 3.6Å; Q494-L497 PolarHBondContact O-N 3.39Å; L497-S500 VanDerWaalsContact O-CB 3.29Å; L497-S500 WeakPolarHBondContact O-CB 3.47Å; L497-S500 PolarHBondContact O-OG 3.31Å; L497-S500 VanDerWaalsContact O-OG 3.05Å
498	E	38.1	Very low	35.6	Very low	42 Å²	42	81.9 Å²	81.9	20%	0.196	45%	0.449	C	S	.	.	H	α-helix	trans	-86.1	-11.2	-168.2	-79.3	176.7	170.4	0	0	116	F164 M167 Q494 S500 R501	F164-E498 WeakPolarHBondContact CE1-OE2 3.16Å; M167-E498 HydrophobicContact CE-CB 4.47Å; Q494-E498 HydrophobicContact CB-CG 4.36Å; Q494-E498 WeakPolarHBondContact O-CA 3.29Å; Q494-E498 VanDerWaalsContact O-CB 3.23Å; Q494-E498 WeakPolarHBondContact O-CB 3.18Å; Q494-E498 PolarHBondContact O-N 3.43Å; Q494-E498 VanDerWaalsContact OE1-CD 3.29Å; Q494-E498 PolarHBondContact OE1-OE1 3.06Å; E498-S500 PolarHBondContact O-N 2.9Å; E498-R501 PolarHBondContact O-N 3.24Å
499	S	39.7	Very low	35.3	Very low	45 Å²	45	82 Å²	82	32%	0.315	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-60.8	-12	169.3	57.1	0	0	0	0	113	F416 S502	F416-S499 WeakPolarHBondContact CE1-OG 3.38Å; S499-S502 PolarHBondContact O-OG 3.4Å
500	S	37.1	Very low	35.2	Very low	31 Å²	31	84.9 Å²	84.9	22%	0.217	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-75	-20.6	174.6	-60.1	0	0	0	0	115.4	L300 L497 E498 S502	L300-S500 WeakPolarHBondContact CD1-O 3.29Å; L497-S500 VanDerWaalsContact O-CB 3.29Å; L497-S500 WeakPolarHBondContact O-CB 3.47Å; L497-S500 PolarHBondContact O-OG 3.31Å; L497-S500 VanDerWaalsContact O-OG 3.05Å; E498-S500 PolarHBondContact O-N 2.9Å; S500-S502 VanDerWaalsContact C-N 3.31Å; S500-S502 PolarHBondContact O-N 3.42Å
501	R	36.5	Very low	34.9	Very low	165 Å²	165	87.9 Å²	87.9	62%	0.623	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-81.3	-11.3	-175.2	-146.3	177.4	-176.3	179.7	1.7	113.7	M167 E498 Q503	M167-R501 HydrophobicContact CE-CB 4.31Å; E498-R501 PolarHBondContact O-N 3.24Å; R501-Q503 PolarHBondContact O-N 3.11Å
502	S	36.8	Very low	34.5	Very low	100 Å²	100	91.2 Å²	91.2	70%	0.699	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-66.4	-3.9	176.8	-30.7	0	0	0	0	114	S499 S500	S499-S502 PolarHBondContact O-OG 3.4Å; S500-S502 VanDerWaalsContact C-N 3.31Å; S500-S502 PolarHBondContact O-N 3.42Å
503	Q	40.3	Very low	33.8	Very low	132 Å²	132	90.8 Å²	90.8	62%	0.617	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-110.2	-1.3	-171.2	-107.5	174.2	-12.9	0	0	115.7	R501 L505	R501-Q503 PolarHBondContact O-N 3.11Å; Q503-L505 VanDerWaalsContact C-N 3.28Å; Q503-L505 PolarHBondContact O-N 3.31Å
504	E	31.8	Very low	33.3	Very low	162 Å²	162	95.8 Å²	95.8	76%	0.757	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	3.6	-179.5	-74.9	-169.1	159.4	0	0	115.3
505	L	30.8	Very low	32.9	Very low	145 Å²	145	99 Å²	99	76%	0.759	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	16.1	174	-97.4	142.4	0	0	0	114.3	Q503	Q503-L505 VanDerWaalsContact C-N 3.28Å; Q503-L505 PolarHBondContact O-N 3.31Å
506	S	29.2	Very low	32.4	Very low	97 Å²	97	106.9 Å²	106.9	68%	0.678	65%	0.649	S	S	*	*			trans	-116.3	93.7	176.1	-49.5	0	0	0	0	110.7
507	G	30	Very low	32	Very low	64 Å²	64	108.8 Å²	108.8	66%	0.66	66%	0.664	S	S	*	*			trans	-58.8	164.6	168.3	0	0	0	0	0	112.6	A509	G507-A509 PolarHBondContact O-N 3.06Å; G507-A509 VanDerWaalsContact O-N 3.16Å
508	P	31	Very low	32	Very low	138 Å²	138	113.2 Å²	113.2	90%	0.896	69%	0.688	S	S	*	*			trans	-75	111.7	-167.4	29.8	-31.9	0	0	0	111	S510	P508-S510 PolarHBondContact O-N 3.41Å
509	A	29.2	Very low	31.8	Very low	103 Å²	103	116.8 Å²	116.8	85%	0.851	71%	0.713	S	S	*	*			trans	-79.4	110.5	163.6	0	0	0	0	0	109.2	G507	G507-A509 PolarHBondContact O-N 3.06Å; G507-A509 VanDerWaalsContact O-N 3.16Å
510	S	33.2	Very low	31.7	Very low	105 Å²	105	123.4 Å²	123.4	73%	0.734	73%	0.732	S	S	*	*			trans	-58.8	136.8	169.8	59.9	0	0	0	0	111.8	P508	P508-S510 PolarHBondContact O-N 3.41Å
511	N	30.1	Very low	31.9	Very low	170 Å²	170	127.9 Å²	127.9	91%	0.909	75%	0.754	S	S	*	*			trans	-153.7	103.2	143.1	-99.5	-23.5	0	0	0	112.3
512	G	27.2	Very low	32	Very low	81 Å²	81	123.3 Å²	123.3	84%	0.835	75%	0.751	S	S	*	*			trans	26.2	120.1	145.6	0	0	0	0	0	122.6
513	G	23.3	Very low	32.3	Very low	71 Å²	71	125.5 Å²	125.5	73%	0.732	75%	0.751	S	S	*	*				119.6	94.1	119.4	0	0	0	0	0	117.6
514	I	26.8	Very low	32.2	Very low	175 Å²	175	127.8 Å²	127.8	90%	0.897	76%	0.755	S	S	*	*				170	129.6	113.2	-81.1	157.1	0	0	0	108.7
515	S	27.5	Very low	32.7	Very low	101 Å²	101	126.9 Å²	126.9	71%	0.706	75%	0.751	S	S	*	*			trans	-54.4	133.4	-177.5	-56.3	0	0	0	0	115.3
516	Q	27.6	Very low	33.6	Very low	203 Å²	203	128.3 Å²	128.3	95%	0.949	75%	0.746	S	S	*	*			trans	-144.3	101.2	133.5	-89.9	-175.1	8.1	0	0	108.8
517	T	29.1	Very low	34.2	Very low	116 Å²	116	126 Å²	126	71%	0.712	73%	0.733	S	S	*	*			trans	-87.9	150.2	176.8	40.4	0	0	0	0	111.5
518	N	35.5	Very low	35	Very low	131 Å²	131	127.7 Å²	127.7	70%	0.701	73%	0.726	S	S	*	*			trans	98.7	69.7	154.5	-56.3	-17.1	0	0	0	118.8
519	T	35.9	Very low	35.6	Very low	118 Å²	118	127.6 Å²	127.6	72%	0.724	71%	0.713	S	S	*	*	S	Bend	trans	-145.4	-5.2	144.7	44.9	0	0	0	0	115.3
520	Y	37.2	Very low	36.3	Very low	184 Å²	184	129 Å²	129	72%	0.722	70%	0.702	S	S	*	*	S	Bend	trans	-99.4	-12.1	-170.4	-72.3	-77.7	0	0	0	116.5	A522	Y520-A522 PolarHBondContact O-N 3.39Å
521	D	41.4	Very low	36.9	Very low	124 Å²	124	127.7 Å²	127.7	66%	0.663	69%	0.693	S	S	*	*	H	α-helix	trans	-74.2	-21.6	-177	-82.2	-21	0	0	0	114.3	Q523 E525	D521-Q523 PolarHBondContact O-N 3.44Å; D521-E525 PolarHBondContact O-N 3.12Å
522	A	38.5	Very low	37.4	Very low	70 Å²	70	125.7 Å²	125.7	58%	0.579	68%	0.682	S	S	*	*	H	α-helix	trans	-76	-19.4	-176.5	0	0	0	0	0	114.4	Y520	Y520-A522 PolarHBondContact O-N 3.39Å
523	Q	42.2	Very low	38	Very low	146 Å²	146	128.1 Å²	128.1	68%	0.682	68%	0.675	S	S	*	*	H	α-helix	trans	-88.9	-31.6	178.2	-77.3	-179.8	-16	0	0	112.1	D521 R526 A527	D521-Q523 PolarHBondContact O-N 3.44Å; Q523-R526 PolarHBondContact O-N 3.08Å; Q523-A527 PolarHBondContact O-N 2.98Å
524	Y	38.6	Very low	38.9	Very low	179 Å²	179	130.2 Å²	130.2	70%	0.702	67%	0.674	S	S	*	*	H	α-helix	trans	-70.9	-41	178.6	-114.3	-87.5	0	0	0	112.2	R526 A527 I528	Y524-R526 VanDerWaalsContact C-N 3.28Å; Y524-R526 PolarHBondContact O-N 2.79Å; Y524-A527 PolarHBondContact O-N 3.25Å; Y524-I528 WeakPolarHBondContact O-CG1 3.29Å; Y524-I528 PolarHBondContact O-N 2.9Å
525	E	42.5	Very low	39.6	Very low	144 Å²	144	126.8 Å²	126.8	67%	0.673	67%	0.665	S	S	*	*	H	α-helix	trans	-64.9	-32.6	175.7	-75.5	-173.3	154.3	0	0	112.5	D521 Q529	D521-E525 PolarHBondContact O-N 3.12Å; E525-Q529 WeakPolarHBondContact O-CB 3.4Å; E525-Q529 PolarHBondContact O-N 3.37Å; E525-Q529 VanDerWaalsContact O-N 3.13Å
526	R	48.6	Very low	40.2	Very low	174 Å²	174	127.2 Å²	127.2	66%	0.657	66%	0.664	S	S	*	*	H	α-helix	trans	-70.3	-38.6	178.9	-161	179.8	-75.3	174.9	-4	112.3	Q523 Y524 Q529 E530	Q523-R526 PolarHBondContact O-N 3.08Å; Y524-R526 VanDerWaalsContact C-N 3.28Å; Y524-R526 PolarHBondContact O-N 2.79Å; R526-Q529 PolarHBondContact O-N 3Å; R526-E530 PolarHBondContact O-N 3.22Å; R526-E530 VanDerWaalsContact O-N 3.09Å
527	A	43.7	Very low	40.5	Very low	50 Å²	50	126.9 Å²	126.9	41%	0.413	66%	0.662	S	S	.	*	H	α-helix	trans	-69.7	-33.6	177.9	0	0	0	0	0	113.1	Q523 Y524 S531	Q523-A527 PolarHBondContact O-N 2.98Å; Y524-A527 PolarHBondContact O-N 3.25Å; A527-S531 PolarHBondContact O-N 3.49Å; A527-S531 PolarHBondContact O-OG 2.81Å; A527-S531 VanDerWaalsContact O-OG 3.11Å
528	I	46.4	Very low	40.7	Very low	99 Å²	99	125.2 Å²	125.2	51%	0.508	67%	0.669	S	S	.	*	H	α-helix	trans	-71.2	-37.4	175.3	-64.6	168.9	0	0	0	110.4	Y524 S531 L532	Y524-I528 WeakPolarHBondContact O-CG1 3.29Å; Y524-I528 PolarHBondContact O-N 2.9Å; I528-S531 PolarHBondContact O-N 2.99Å; I528-L532 HydrophobicContact CG2-CD1 4.22Å; I528-L532 PolarHBondContact O-N 3.02Å
529	Q	42.4	Very low	40.7	Very low	136 Å²	136	127.5 Å²	127.5	64%	0.636	68%	0.68	S	S	*	*	H	α-helix	trans	-69.8	-34.3	178.5	-144.2	169.9	14.7	0	0	112.6	E525 R526	E525-Q529 WeakPolarHBondContact O-CB 3.4Å; E525-Q529 PolarHBondContact O-N 3.37Å; E525-Q529 VanDerWaalsContact O-N 3.13Å; R526-Q529 PolarHBondContact O-N 3Å
530	E	45.1	Very low	40.4	Very low	132 Å²	132	127 Å²	127	62%	0.617	68%	0.68	S	S	*	*	H	α-helix	trans	-70.6	-31.8	173.4	-78.2	-178.4	169.4	0	0	113.1	R526 T534	R526-E530 PolarHBondContact O-N 3.22Å; R526-E530 VanDerWaalsContact O-N 3.09Å; E530-T534 PolarHBondContact O-OG1 3.16Å
531	S	44.2	Very low	40.4	Very low	78 Å²	78	124.3 Å²	124.3	55%	0.545	69%	0.685	S	S	.	*	H	α-helix	trans	-73.6	-29	175.9	-64.7	0	0	0	0	113.2	A527 I528 T534	A527-S531 PolarHBondContact O-N 3.49Å; A527-S531 PolarHBondContact O-OG 2.81Å; A527-S531 VanDerWaalsContact O-OG 3.11Å; I528-S531 PolarHBondContact O-N 2.99Å; S531-T534 PolarHBondContact O-OG1 2.83Å; S531-T534 VanDerWaalsContact O-OG1 3.1Å
532	L	42	Very low	40.4	Very low	127 Å²	127	123.9 Å²	123.9	67%	0.665	69%	0.692	S	S	*	*	H	α-helix	trans	-74.8	-25.7	176.5	-85.8	156.2	0	0	0	113.1	I528	I528-L532 HydrophobicContact CG2-CD1 4.22Å; I528-L532 PolarHBondContact O-N 3.02Å
533	L	39.8	Very low	40.4	Very low	132 Å²	132	123.3 Å²	123.3	69%	0.691	69%	0.687	S	S	*	*	H	α-helix	trans	-81.2	-20.5	179.8	-73.2	166.1	0	0	0	113.4	S535 T536	L533-S535 VanDerWaalsContact C-N 3.34Å; L533-T536 PolarHBondContact O-OG1 3Å
534	T	42.7	Very low	40.3	Very low	116 Å²	116	123.4 Å²	123.4	71%	0.712	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-5.7	-178.9	31.3	0	0	0	0	114.2	E530 S531	E530-T534 PolarHBondContact O-OG1 3.16Å; S531-T534 PolarHBondContact O-OG1 2.83Å; S531-T534 VanDerWaalsContact O-OG1 3.1Å
535	S	41.3	Very low	40.5	Very low	102 Å²	102	119.5 Å²	119.5	71%	0.713	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	6.1	-178.2	-55.4	0	0	0	0	114.9	L533	L533-S535 VanDerWaalsContact C-N 3.34Å
536	T	39.4	Very low	40.6	Very low	111 Å²	111	120.2 Å²	120.2	68%	0.681	69%	0.693	S	S	*	*	S	Bend	trans	-115.2	11.3	-171.3	31.5	0	0	0	0	117.6	L533	L533-T536 PolarHBondContact O-OG1 3Å
537	E	34.9	Very low	40.4	Very low	195 Å²	195	115.3 Å²	115.3	91%	0.911	68%	0.683	S	S	*	*	S	Bend	trans	-128.9	113.9	173.8	-68.5	-167.1	160.7	0	0	114
538	G	33.4	Very low	40.7	Very low	82 Å²	82	116 Å²	116	85%	0.845	68%	0.684	S	S	*	*			trans	112.2	83.7	150.9	0	0	0	0	0	117.9
539	L	33.9	Very low	40.8	Very low	179 Å²	179	120 Å²	120	94%	0.937	69%	0.693	S	S	*	*			trans	-76.9	132.1	167.8	-82.7	150.1	0	0	0	112.2
540	C	30.6	Very low	41.2	Very low	107 Å²	107	120.8 Å²	120.8	72%	0.723	70%	0.695	S	S	*	*			trans	-125.5	139.8	159.2	-85.2	0	0	0	0	110.4	S542	C540-S542 PolarHBondContact O-N 2.86Å
541	P	36.8	Very low	41.7	Very low	128 Å²	128	119.1 Å²	119.1	83%	0.831	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	17.8	-155.4	-3.6	24.8	0	0	0	117
542	S	40.7	Very low	42.6	Very low	115 Å²	115	120.3 Å²	120.3	80%	0.804	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-2.9	-174.9	55.2	0	0	0	0	115.8	C540	C540-S542 PolarHBondContact O-N 2.86Å
543	A	39.6	Very low	43.5	Very low	58 Å²	58	118.8 Å²	118.8	48%	0.479	68%	0.683	S	S	.	*			trans	-96.7	2.2	-169	0	0	0	0	0	116	S545 T547	A543-S545 PolarHBondContact O-N 3.33Å; A543-T547 PolarHBondContact O-OG1 3.22Å
544	L	40.4	Very low	44.5	Very low	147 Å²	147	116.8 Å²	116.8	77%	0.77	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-9.3	-169.1	-72.4	164.6	0	0	0	115.3
545	S	42.9	Very low	45.5	Very low	97 Å²	97	117.5 Å²	117.5	68%	0.678	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-20.5	-179.6	-178.3	0	0	0	0	114.1	A543	A543-S545 PolarHBondContact O-N 3.33Å
546	E	42.6	Very low	47.1	Very low	159 Å²	159	117.2 Å²	117.2	74%	0.743	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-31.8	-179.7	-75.1	-176	161.5	0	0	111.9	S548 R549 F550	E546-S548 PolarHBondContact O-N 2.86Å; E546-R549 PolarHBondContact O-N 2.81Å; E546-F550 PolarHBondContact O-N 3.16Å; E546-F550 VanDerWaalsContact O-N 3.08Å
547	T	45.6	Very low	48.2	Very low	72 Å²	72	114.5 Å²	114.5	44%	0.442	65%	0.647	S	S	.	*	H	α-helix	trans	-61.4	-40.8	176	46.1	0	0	0	0	112.3	A543 R549 F550 D551	A543-T547 PolarHBondContact O-OG1 3.22Å; T547-R549 PolarHBondContact O-N 2.58Å; T547-F550 PolarHBondContact O-N 3.29Å; T547-D551 WeakPolarHBondContact O-CB 3.47Å; T547-D551 VanDerWaalsContact O-CG 3.29Å; T547-D551 PolarHBondContact O-N 2.94Å
548	S	49.7	Very low	49.5	Very low	63 Å²	63	111.3 Å²	111.3	44%	0.441	63%	0.633	S	S	.	*	H	α-helix	trans	-66.9	-24.7	178.6	71.6	0	0	0	0	113.4	E546 N552	E546-S548 PolarHBondContact O-N 2.86Å; S548-N552 PolarHBondContact O-ND2 2.88Å
549	R	48.4	Very low	51.7	Low	185 Å²	185	113.8 Å²	113.8	70%	0.698	62%	0.623	S	S	*	*	H	α-helix	trans	-83.1	-40.9	178.4	-161.5	174.3	-174.8	168.9	0.6	110.6	E546 T547 N552 D553	E546-R549 PolarHBondContact O-N 2.81Å; T547-R549 PolarHBondContact O-N 2.58Å; R549-N552 PolarHBondContact O-N 3.34Å; R549-D553 PolarHBondContact O-N 2.99Å
550	F	50.3	Low	53.7	Low	151 Å²	151	110.4 Å²	110.4	66%	0.662	61%	0.605	S	S	*	*	H	α-helix	trans	-65.6	-39.1	176.4	-153.9	-89.2	0	0	0	112.4	E546 T547 N552 D553 L554	E546-F550 PolarHBondContact O-N 3.16Å; E546-F550 VanDerWaalsContact O-N 3.08Å; T547-F550 PolarHBondContact O-N 3.29Å; F550-N552 VanDerWaalsContact C-N 3.35Å; F550-N552 PolarHBondContact O-N 3.22Å; F550-D553 PolarHBondContact O-N 2.93Å; F550-L554 VanDerWaalsContact O-CB 3.25Å; F550-L554 WeakPolarHBondContact O-CB 3.36Å; F550-L554 PolarHBondContact O-N 3.24Å
551	D	57.3	Low	55.4	Low	98 Å²	98	108.8 Å²	108.8	52%	0.524	60%	0.595	S	S	.	*	H	α-helix	trans	-66.1	-36.8	176.8	-73	-22.7	0	0	0	112.1	T547 Q555	T547-D551 WeakPolarHBondContact O-CB 3.47Å; T547-D551 VanDerWaalsContact O-CG 3.29Å; T547-D551 PolarHBondContact O-N 2.94Å; D551-Q555 VanDerWaalsContact O-CB 3.29Å; D551-Q555 WeakPolarHBondContact O-CB 3.48Å; D551-Q555 PolarHBondContact O-N 2.87Å
552	N	62.3	Low	57.4	Low	102 Å²	102	105.3 Å²	105.3	55%	0.545	58%	0.577	S	S	.	*	H	α-helix	trans	-70.4	-41.3	175.6	-80.7	-54.3	0	0	0	112.1	S548 R549 F550 L554 Q555 L556	S548-N552 PolarHBondContact O-ND2 2.88Å; R549-N552 PolarHBondContact O-N 3.34Å; F550-N552 VanDerWaalsContact C-N 3.35Å; F550-N552 PolarHBondContact O-N 3.22Å; N552-L554 VanDerWaalsContact C-N 3.35Å; N552-Q555 PolarHBondContact O-N 2.81Å; N552-L556 WeakPolarHBondContact O-CB 3.37Å; N552-L556 PolarHBondContact O-N 3.18Å
553	D	61	Low	59.5	Low	95 Å²	95	105.7 Å²	105.7	51%	0.508	56%	0.564	S	S	.	*	H	α-helix	trans	-67.9	-36.6	177.7	-69.4	-18.2	0	0	0	111.2	R549 F550 A557	R549-D553 PolarHBondContact O-N 2.99Å; F550-D553 PolarHBondContact O-N 2.93Å; D553-A557 WeakPolarHBondContact O-CB 3.24Å; D553-A557 PolarHBondContact O-N 2.88Å
554	L	60.1	Low	61.2	Low	91 Å²	91	108.9 Å²	108.9	48%	0.476	57%	0.569	S	S	.	*	H	α-helix	trans	-66.8	-43	173.8	-177.5	64.1	0	0	0	111.7	F550 N552 L556 A557 M558	F550-L554 VanDerWaalsContact O-CB 3.25Å; F550-L554 WeakPolarHBondContact O-CB 3.36Å; F550-L554 PolarHBondContact O-N 3.24Å; N552-L554 VanDerWaalsContact C-N 3.35Å; L554-L556 VanDerWaalsContact C-N 3.34Å; L554-L556 PolarHBondContact O-N 2.95Å; L554-A557 PolarHBondContact O-N 3.1Å; L554-M558 WeakPolarHBondContact O-CG 3.22Å; L554-M558 PolarHBondContact O-N 3.29Å
555	Q	65.3	Low	62.8	Low	130 Å²	130	106.8 Å²	106.8	61%	0.607	56%	0.558	S	S	*	*	H	α-helix	trans	-64.4	-39.9	177.9	-169.5	170.9	-2.6	0	0	111.6	D551 N552 M558 E559	D551-Q555 VanDerWaalsContact O-CB 3.29Å; D551-Q555 WeakPolarHBondContact O-CB 3.48Å; D551-Q555 PolarHBondContact O-N 2.87Å; N552-Q555 PolarHBondContact O-N 2.81Å; Q555-M558 PolarHBondContact O-N 3.37Å; Q555-E559 PolarHBondContact O-N 2.99Å
556	L	73.1	Confident	64.8	Low	97 Å²	97	108.8 Å²	108.8	51%	0.508	56%	0.557	S	S	.	*	H	α-helix	trans	-64.8	-40.9	174.1	-175.9	66.2	0	0	0	112	N552 L554 E559 L560	N552-L556 WeakPolarHBondContact O-CB 3.37Å; N552-L556 PolarHBondContact O-N 3.18Å; L554-L556 VanDerWaalsContact C-N 3.34Å; L554-L556 PolarHBondContact O-N 2.95Å; L556-E559 PolarHBondContact O-N 3.13Å; L556-L560 HydrophobicContact CG-CD1 4.29Å; L556-L560 WeakPolarHBondContact O-CG 3.32Å; L556-L560 PolarHBondContact O-N 3.18Å
557	A	62.2	Low	66.7	Low	54 Å²	54	105.8 Å²	105.8	45%	0.446	54%	0.543	S	S	.	.	H	α-helix	trans	-64.6	-39.3	176.8	0	0	0	0	0	112.2	D553 L554 S561	D553-A557 WeakPolarHBondContact O-CB 3.24Å; D553-A557 PolarHBondContact O-N 2.88Å; L554-A557 PolarHBondContact O-N 3.1Å; A557-S561 WeakPolarHBondContact O-CB 3.39Å; A557-S561 PolarHBondContact O-N 2.98Å
558	M	63.9	Low	68.1	Low	127 Å²	127	108.8 Å²	108.8	63%	0.626	55%	0.546	S	S	*	.	H	α-helix	trans	-65.6	-39.8	175.1	-71.3	-178.8	70.2	0	0	112.1	L554 Q555 S561 A562	L554-M558 WeakPolarHBondContact O-CG 3.22Å; L554-M558 PolarHBondContact O-N 3.29Å; Q555-M558 PolarHBondContact O-N 3.37Å; M558-S561 PolarHBondContact O-N 2.83Å; M558-A562 WeakPolarHBondContact O-CB 3.47Å; M558-A562 PolarHBondContact O-N 2.93Å
559	E	79.8	Confident	69.7	Low	135 Å²	135	111 Å²	111	63%	0.631	55%	0.55	S	S	*	.	H	α-helix	trans	-68.4	-40.6	178.1	-165.8	173.2	-171.3	0	0	111.9	Q555 L556 A562 K563	Q555-E559 PolarHBondContact O-N 2.99Å; L556-E559 PolarHBondContact O-N 3.13Å; E559-A562 PolarHBondContact O-N 3.27Å; E559-K563 WeakPolarHBondContact O-CB 3.39Å; E559-K563 PolarHBondContact O-N 3.25Å
560	L	74.9	Confident	71.5	Confident	107 Å²	107	107 Å²	107	56%	0.56	54%	0.541	S	S	*	.	H	α-helix	trans	-64.3	-41.4	173.6	-72.5	172.4	0	0	0	112	L556 K563 E564	L556-L560 HydrophobicContact CG-CD1 4.29Å; L556-L560 WeakPolarHBondContact O-CG 3.32Å; L556-L560 PolarHBondContact O-N 3.18Å; L560-K563 PolarHBondContact O-N 3.3Å; L560-E564 WeakPolarHBondContact O-CB 3.47Å; L560-E564 PolarHBondContact O-N 3.02Å
561	S	66.3	Low	73.2	Confident	73 Å²	73	106.5 Å²	106.5	51%	0.51	54%	0.535	S	S	.	.	H	α-helix	trans	-66	-40.2	177.2	-176.5	0	0	0	0	112.2	A557 M558 E564 L565	A557-S561 WeakPolarHBondContact O-CB 3.39Å; A557-S561 PolarHBondContact O-N 2.98Å; M558-S561 PolarHBondContact O-N 2.83Å; S561-E564 PolarHBondContact O-N 3.48Å; S561-L565 PolarHBondContact O-N 3.36Å
562	A	79.1	Confident	74.2	Confident	55 Å²	55	106.6 Å²	106.6	46%	0.455	54%	0.535	S	S	.	.	H	α-helix	trans	-64	-42.1	175.4	0	0	0	0	0	111.8	M558 E559 L565 E566	M558-A562 WeakPolarHBondContact O-CB 3.47Å; M558-A562 PolarHBondContact O-N 2.93Å; E559-A562 PolarHBondContact O-N 3.27Å; A562-L565 WeakPolarHBondContact O-CB 3.35Å; A562-L565 PolarHBondContact O-N 3.33Å; A562-E566 PolarHBondContact O-N 3.39Å
563	K	84.4	Confident	75.3	Confident	124 Å²	124	108 Å²	108	54%	0.539	54%	0.538	S	S	.	.	H	α-helix	trans	-65.4	-40.1	176.7	-171	-179.8	176.8	-175.2	0	112.4	E559 L560 L565 E566 E567	E559-K563 WeakPolarHBondContact O-CB 3.39Å; E559-K563 PolarHBondContact O-N 3.25Å; L560-K563 PolarHBondContact O-N 3.3Å; K563-L565 VanDerWaalsContact C-N 3.3Å; K563-L565 PolarHBondContact O-N 3.09Å; K563-E566 PolarHBondContact O-N 3.24Å; K563-E567 PolarHBondContact O-N 3.45Å
564	E	75.5	Confident	76.5	Confident	124 Å²	124	108.9 Å²	108.9	58%	0.579	54%	0.539	S	S	*	.	H	α-helix	trans	-65.2	-36.1	175.7	-171.3	177.9	-176.4	0	0	111.6	L560 S561 E567 R568	L560-E564 WeakPolarHBondContact O-CB 3.47Å; L560-E564 PolarHBondContact O-N 3.02Å; S561-E564 PolarHBondContact O-N 3.48Å; E564-E567 PolarHBondContact O-N 3.2Å; E564-R568 WeakPolarHBondContact O-CB 3.38Å; E564-R568 PolarHBondContact O-N 3.19Å
565	L	75	Confident	77.3	Confident	103 Å²	103	110.1 Å²	110.1	54%	0.539	54%	0.543	S	S	.	.	H	α-helix	trans	-63.9	-46.4	174.3	-160.4	88	0	0	0	111.4	S561 A562 K563 R568 E569	S561-L565 PolarHBondContact O-N 3.36Å; A562-L565 WeakPolarHBondContact O-CB 3.35Å; A562-L565 PolarHBondContact O-N 3.33Å; K563-L565 VanDerWaalsContact C-N 3.3Å; K563-L565 PolarHBondContact O-N 3.09Å; L565-R568 WeakPolarHBondContact O-CB 3.48Å; L565-R568 PolarHBondContact O-N 2.89Å; L565-E569 PolarHBondContact O-N 2.99Å
566	E	83.3	Confident	78.2	Confident	140 Å²	140	109.6 Å²	109.6	65%	0.654	54%	0.54	S	S	*	.	H	α-helix	trans	-60.9	-45	176	-80.5	-173.7	166.8	0	0	111.9	A562 K563 R568 E569 L570	A562-E566 PolarHBondContact O-N 3.39Å; K563-E566 PolarHBondContact O-N 3.24Å; E566-R568 PolarHBondContact O-N 3.22Å; E566-E569 PolarHBondContact O-N 3.19Å; E566-L570 WeakPolarHBondContact O-CB 3.38Å; E566-L570 PolarHBondContact O-N 3.27Å
567	E	82.8	Confident	78.9	Confident	96 Å²	96	107.7 Å²	107.7	45%	0.449	54%	0.539	S	S	.	.	H	α-helix	trans	-62.5	-31.2	176.5	-77.5	-176	-170.9	0	0	112.6	K563 E564 R571	K563-E567 PolarHBondContact O-N 3.45Å; E564-E567 PolarHBondContact O-N 3.2Å; E567-R571 PolarHBondContact O-N 3.38Å; E567-R571 VanDerWaalsContact O-N 3.15Å
568	R	76.6	Confident	80.1	Confident	134 Å²	134	111.3 Å²	111.3	51%	0.506	55%	0.546	S	S	.	.	H	α-helix	trans	-75.6	-40.7	177.7	-163.2	178.8	-157.4	153.8	4.2	112	E564 L565 E566 L570 R571 L572	E564-R568 WeakPolarHBondContact O-CB 3.38Å; E564-R568 PolarHBondContact O-N 3.19Å; L565-R568 WeakPolarHBondContact O-CB 3.48Å; L565-R568 PolarHBondContact O-N 2.89Å; E566-R568 PolarHBondContact O-N 3.22Å; R568-L570 VanDerWaalsContact C-N 3.29Å; R568-L570 PolarHBondContact O-N 2.87Å; R568-R571 PolarHBondContact O-N 2.98Å; R568-L572 WeakPolarHBondContact O-CG 3.45Å; R568-L572 PolarHBondContact O-N 3.19Å
569	E	82.2	Confident	80.9	Confident	111 Å²	111	110.7 Å²	110.7	52%	0.519	55%	0.545	S	S	.	.	H	α-helix	trans	-62.5	-39.4	173.3	-75.5	-172.3	170.5	0	0	111.4	L565 E566 L572 Q573	L565-E569 PolarHBondContact O-N 2.99Å; E566-E569 PolarHBondContact O-N 3.19Å; E569-L572 PolarHBondContact O-N 3.33Å; E569-Q573 WeakPolarHBondContact O-CG 3.19Å; E569-Q573 PolarHBondContact O-N 3.22Å
570	L	87.4	Confident	81	Confident	100 Å²	100	110 Å²	110	52%	0.524	54%	0.541	S	S	.	.	H	α-helix	trans	-65.5	-42.5	177.9	-139.1	151.1	0	0	0	111.5	E566 R568 L572 Q573 E574	E566-L570 WeakPolarHBondContact O-CB 3.38Å; E566-L570 PolarHBondContact O-N 3.27Å; R568-L570 VanDerWaalsContact C-N 3.29Å; R568-L570 PolarHBondContact O-N 2.87Å; L570-L572 PolarHBondContact O-N 2.82Å; L570-Q573 PolarHBondContact O-N 3.11Å; L570-E574 PolarHBondContact O-N 3.1Å
571	R	84.1	Confident	81.3	Confident	141 Å²	141	110.7 Å²	110.7	53%	0.532	54%	0.542	S	S	.	.	H	α-helix	trans	-61.7	-41.3	173	-84.8	-173.5	-108.1	170.1	-5.4	113	E567 R568 Q573 E574 E575	E567-R571 PolarHBondContact O-N 3.38Å; E567-R571 VanDerWaalsContact O-N 3.15Å; R568-R571 PolarHBondContact O-N 2.98Å; R571-Q573 VanDerWaalsContact C-N 3.31Å; R571-Q573 PolarHBondContact O-N 3.03Å; R571-E574 PolarHBondContact O-N 3.44Å; R571-E575 WeakPolarHBondContact O-CG 3.46Å; R571-E575 PolarHBondContact O-N 3.16Å
572	L	78.9	Confident	82	Confident	100 Å²	100	111.8 Å²	111.8	52%	0.524	55%	0.545	S	S	.	.	H	α-helix	trans	-64.4	-37.2	176.9	-75.2	168.4	0	0	0	111.9	R568 E569 L570 E575 E576	R568-L572 WeakPolarHBondContact O-CG 3.45Å; R568-L572 PolarHBondContact O-N 3.19Å; E569-L572 PolarHBondContact O-N 3.33Å; L570-L572 PolarHBondContact O-N 2.82Å; L572-E575 PolarHBondContact O-N 3.15Å; L572-E576 WeakPolarHBondContact O-CB 3.48Å; L572-E576 PolarHBondContact O-N 3.26Å
573	Q	85.4	Confident	81.7	Confident	130 Å²	130	113.9 Å²	113.9	61%	0.607	55%	0.549	S	S	*	.	H	α-helix	trans	-67.4	-38.4	174.5	-72.9	179.8	9.5	0	0	112.3	E569 L570 R571 A577	E569-Q573 WeakPolarHBondContact O-CG 3.19Å; E569-Q573 PolarHBondContact O-N 3.22Å; L570-Q573 PolarHBondContact O-N 3.11Å; R571-Q573 VanDerWaalsContact C-N 3.31Å; R571-Q573 PolarHBondContact O-N 3.03Å; Q573-A577 WeakPolarHBondContact O-CB 3.16Å; Q573-A577 PolarHBondContact O-N 3.28Å
574	E	87	Confident	81.3	Confident	114 Å²	114	114.5 Å²	114.5	53%	0.533	55%	0.553	S	S	.	*	H	α-helix	trans	-63.5	-47.5	173.4	-73.6	180	165.6	0	0	111.2	L570 R571 E576 A577 E578	L570-E574 PolarHBondContact O-N 3.1Å; R571-E574 PolarHBondContact O-N 3.44Å; E574-E576 VanDerWaalsContact C-N 3.35Å; E574-E576 PolarHBondContact O-N 3.01Å; E574-A577 PolarHBondContact O-N 2.92Å; E574-E578 WeakPolarHBondContact O-CG 3.05Å; E574-E578 PolarHBondContact O-N 2.98Å
575	E	77.3	Confident	81.3	Confident	118 Å²	118	113.5 Å²	113.5	55%	0.551	55%	0.551	S	S	*	*	H	α-helix	trans	-61.4	-40.6	176.9	-73.7	178.7	-177.1	0	0	112.1	R571 L572 E578 L579	R571-E575 WeakPolarHBondContact O-CG 3.46Å; R571-E575 PolarHBondContact O-N 3.16Å; L572-E575 PolarHBondContact O-N 3.15Å; E575-E578 PolarHBondContact O-N 3.42Å; E575-L579 WeakPolarHBondContact O-CB 3.37Å; E575-L579 PolarHBondContact O-N 3.34Å
576	E	82.8	Confident	80.8	Confident	119 Å²	119	112.5 Å²	112.5	56%	0.556	55%	0.553	S	S	*	*	H	α-helix	trans	-66.7	-38.8	176.8	-169.1	176	179.7	0	0	111.8	L572 E574 L579 Q580	L572-E576 WeakPolarHBondContact O-CB 3.48Å; L572-E576 PolarHBondContact O-N 3.26Å; E574-E576 VanDerWaalsContact C-N 3.35Å; E574-E576 PolarHBondContact O-N 3.01Å; E576-L579 PolarHBondContact O-N 2.92Å; E576-Q580 WeakPolarHBondContact O-CG 3.47Å; E576-Q580 PolarHBondContact O-N 3.21Å
577	A	88.6	Confident	80.2	Confident	57 Å²	57	112.1 Å²	112.1	47%	0.471	56%	0.555	S	S	.	*	H	α-helix	trans	-65.8	-42.6	175.6	0	0	0	0	0	112	Q573 E574 L579 Q580 Q581	Q573-A577 WeakPolarHBondContact O-CB 3.16Å; Q573-A577 PolarHBondContact O-N 3.28Å; E574-A577 PolarHBondContact O-N 2.92Å; A577-L579 VanDerWaalsContact C-N 3.33Å; A577-L579 PolarHBondContact O-N 3.46Å; A577-Q580 PolarHBondContact O-N 3.26Å; A577-Q581 PolarHBondContact O-N 3.2Å
578	E	86.1	Confident	79.5	Confident	129 Å²	129	112.3 Å²	112.3	60%	0.603	56%	0.563	S	S	*	*	H	α-helix	trans	-61.1	-43.1	173.8	-73.7	-173.9	175.3	0	0	111.2	E574 E575 Q580 Q581 V582	E574-E578 WeakPolarHBondContact O-CG 3.05Å; E574-E578 PolarHBondContact O-N 2.98Å; E575-E578 PolarHBondContact O-N 3.42Å; E578-Q580 PolarHBondContact O-N 2.97Å; E578-Q581 PolarHBondContact O-N 3.23Å; E578-V582 WeakPolarHBondContact O-CG2 3.39Å; E578-V582 PolarHBondContact O-N 3.06Å
579	L	81.4	Confident	78.4	Confident	115 Å²	115	113 Å²	113	60%	0.602	58%	0.576	S	S	*	*	H	α-helix	trans	-64.7	-40.7	179.3	-151.3	110.4	0	0	0	111.9	E575 E576 A577 Q581 V582 L583	E575-L579 WeakPolarHBondContact O-CB 3.37Å; E575-L579 PolarHBondContact O-N 3.34Å; E576-L579 PolarHBondContact O-N 2.92Å; A577-L579 VanDerWaalsContact C-N 3.33Å; A577-L579 PolarHBondContact O-N 3.46Å; L579-Q581 VanDerWaalsContact C-N 3.35Å; L579-V582 PolarHBondContact O-N 3.12Å; L579-L583 HydrophobicContact CD2-CD1 4.14Å; L579-L583 WeakPolarHBondContact O-CB 3.29Å; L579-L583 VanDerWaalsContact O-CG 3.31Å; L579-L583 WeakPolarHBondContact O-CG 3.08Å; L579-L583 PolarHBondContact O-N 3.29Å
580	Q	81.1	Confident	76.7	Confident	119 Å²	119	119.6 Å²	119.6	56%	0.556	60%	0.603	S	S	*	*	H	α-helix	trans	-64	-39.9	174.3	-75.3	-175.8	10.2	0	0	111.8	E576 A577 E578 L583 Q584	E576-Q580 WeakPolarHBondContact O-CG 3.47Å; E576-Q580 PolarHBondContact O-N 3.21Å; A577-Q580 PolarHBondContact O-N 3.26Å; E578-Q580 PolarHBondContact O-N 2.97Å; Q580-L583 PolarHBondContact O-N 2.76Å; Q580-Q584 WeakPolarHBondContact O-CB 3.32Å; Q580-Q584 PolarHBondContact O-N 3.48Å
581	Q	81.3	Confident	76.1	Confident	123 Å²	123	120.6 Å²	120.6	58%	0.575	61%	0.607	S	S	*	*	H	α-helix	trans	-64.7	-42.5	176.7	-167.4	177	11.9	0	0	111.7	A577 E578 L579 Q584 L585	A577-Q581 PolarHBondContact O-N 3.2Å; E578-Q581 PolarHBondContact O-N 3.23Å; L579-Q581 VanDerWaalsContact C-N 3.35Å; Q581-Q584 PolarHBondContact O-N 3.36Å; Q581-L585 HydrophobicContact CG-CD1 4.33Å; Q581-L585 WeakPolarHBondContact O-CG 3.45Å; Q581-L585 PolarHBondContact O-N 3.06Å
582	V	82.3	Confident	75.7	Confident	96 Å²	96	119.5 Å²	119.5	58%	0.582	61%	0.611	S	S	*	*	H	α-helix	trans	-62.2	-43	175.1	171	0	0	0	0	111.4	E578 L579 Q584 L585 S586	E578-V582 WeakPolarHBondContact O-CG2 3.39Å; E578-V582 PolarHBondContact O-N 3.06Å; L579-V582 PolarHBondContact O-N 3.12Å; V582-Q584 VanDerWaalsContact C-N 3.34Å; V582-Q584 PolarHBondContact O-N 3.19Å; V582-L585 PolarHBondContact O-N 3.33Å; V582-S586 WeakPolarHBondContact O-CB 3.48Å; V582-S586 PolarHBondContact O-N 3.34Å
583	L	72.9	Confident	75.5	Confident	99 Å²	99	120.6 Å²	120.6	52%	0.518	62%	0.616	S	S	.	*	H	α-helix	trans	-64.3	-38.8	176.9	-75.6	167.9	0	0	0	112.2	L579 Q580 S586 L587	L579-L583 HydrophobicContact CD2-CD1 4.14Å; L579-L583 WeakPolarHBondContact O-CB 3.29Å; L579-L583 VanDerWaalsContact O-CG 3.31Å; L579-L583 WeakPolarHBondContact O-CG 3.08Å; L579-L583 PolarHBondContact O-N 3.29Å; Q580-L583 PolarHBondContact O-N 2.76Å; L583-S586 PolarHBondContact O-N 3.13Å; L583-L587 WeakPolarHBondContact O-CG 3.46Å; L583-L587 PolarHBondContact O-N 2.96Å
584	Q	74.9	Confident	75	Confident	137 Å²	137	120.1 Å²	120.1	64%	0.64	62%	0.617	S	S	*	*	H	α-helix	trans	-68.2	-41.6	178.3	-161.7	174.6	16.3	0	0	111.7	Q580 Q581 V582 S586 L587 T588	Q580-Q584 WeakPolarHBondContact O-CB 3.32Å; Q580-Q584 PolarHBondContact O-N 3.48Å; Q581-Q584 PolarHBondContact O-N 3.36Å; V582-Q584 VanDerWaalsContact C-N 3.34Å; V582-Q584 PolarHBondContact O-N 3.19Å; Q584-S586 VanDerWaalsContact C-N 3.34Å; Q584-L587 PolarHBondContact O-N 2.76Å; Q584-T588 PolarHBondContact O-N 3.36Å; Q584-T588 PolarHBondContact O-OG1 3.06Å
585	L	75.4	Confident	74.2	Confident	102 Å²	102	120.4 Å²	120.4	53%	0.534	62%	0.622	S	S	.	*	H	α-helix	trans	-63.1	-39.7	174.1	-72	167	0	0	0	111.8	Q581 V582 L587 T588 D589	Q581-L585 HydrophobicContact CG-CD1 4.33Å; Q581-L585 WeakPolarHBondContact O-CG 3.45Å; Q581-L585 PolarHBondContact O-N 3.06Å; V582-L585 PolarHBondContact O-N 3.33Å; L585-L587 PolarHBondContact O-N 2.85Å; L585-T588 PolarHBondContact O-N 3.42Å; L585-T588 PolarHBondContact O-OG1 3.28Å; L585-D589 PolarHBondContact O-N 3.03Å
586	S	65.5	Low	74	Confident	82 Å²	82	120.6 Å²	120.6	57%	0.573	63%	0.627	S	S	*	*	H	α-helix	trans	-67.3	-20.2	176.1	-177.8	0	0	0	0	113.8	V582 L583 Q584	V582-S586 WeakPolarHBondContact O-CB 3.48Å; V582-S586 PolarHBondContact O-N 3.34Å; L583-S586 PolarHBondContact O-N 3.13Å; Q584-S586 VanDerWaalsContact C-N 3.34Å
587	L	70.1	Confident	73.4	Confident	132 Å²	132	120.7 Å²	120.7	69%	0.691	63%	0.632	S	S	*	*	H	α-helix	trans	-88.9	-21.9	177	-75	166.7	0	0	0	112.8	L583 Q584 L585	L583-L587 WeakPolarHBondContact O-CG 3.46Å; L583-L587 PolarHBondContact O-N 2.96Å; Q584-L587 PolarHBondContact O-N 2.76Å; L585-L587 PolarHBondContact O-N 2.85Å
588	T	68.1	Low	72.2	Confident	101 Å²	101	125.6 Å²	125.6	62%	0.62	64%	0.644	S	S	*	*	H	α-helix	trans	-86.3	-15.9	176.5	47.4	0	0	0	0	114.1	Q584 L585 K590	Q584-T588 PolarHBondContact O-N 3.36Å; Q584-T588 PolarHBondContact O-OG1 3.06Å; L585-T588 PolarHBondContact O-N 3.42Å; L585-T588 PolarHBondContact O-OG1 3.28Å; T588-K590 VanDerWaalsContact C-N 3.27Å; T588-K590 PolarHBondContact O-N 3.13Å
589	D	54.1	Low	71	Confident	148 Å²	148	125.3 Å²	125.3	79%	0.791	65%	0.647	S	S	*	*			trans	-87.7	31.9	177.6	-86	-9.4	0	0	0	113.9	L585	L585-D589 PolarHBondContact O-N 3.03Å
590	K	45.2	Very low	70.1	Confident	250 Å²	250	126.3 Å²	126.3	100%	1.087	65%	0.652	S	S	*	*			trans	-112.6	0	173.8	-86.4	-169.9	178.6	178.3	0	113.8	T588	T588-K590 VanDerWaalsContact C-N 3.27Å; T588-K590 PolarHBondContact O-N 3.13Å

Retrieved 590 of 590 residues in 133.4 ms (Link to these results)

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