A0A077Z200_TRITR Loading...

Alpha 1,3 mannosyl glycoprotein

AlphaFold DB , UniProt , Accession A0A077Z200, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 524 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	40	Very low	49	Very low	242 Å²	242	144.5 Å²	144.5	100%	1.192	77%	0.774	S	S	*	*				0	91.2	0	-70	174	-176	0	0	107.7
2	T	33.9	Very low	51	Low	134 Å²	134	137.6 Å²	137.6	82%	0.822	74%	0.741	S	S	*	*			trans	-88.4	111.2	-174.8	27.6	0	0	0	0	109.5	Q4	T2-Q4 PolarHBondContact O-N 3.49Å
3	N	34.6	Very low	53.1	Low	160 Å²	160	135.1 Å²	135.1	86%	0.856	72%	0.724	S	S	*	*			trans	-61.5	99.9	170.5	-84.7	-23.5	0	0	0	109.7	V5	N3-V5 PolarHBondContact O-N 2.89Å; N3-V5 VanDerWaalsContact O-N 3.13Å
4	Q	33.2	Very low	55.1	Low	180 Å²	180	131.1 Å²	131.1	84%	0.841	70%	0.701	S	S	*	*			trans	-78.4	90.6	165.4	-76.5	-170.2	-12.6	0	0	108.9	T2 T6	T2-Q4 PolarHBondContact O-N 3.49Å; Q4-T6 PolarHBondContact O-N 3.03Å
5	V	40.5	Very low	56.6	Low	130 Å²	130	123.5 Å²	123.5	79%	0.788	66%	0.664	S	S	*	*			trans	-62.7	111.1	161.7	179.1	0	0	0	0	106.7	N3	N3-V5 PolarHBondContact O-N 2.89Å; N3-V5 VanDerWaalsContact O-N 3.13Å
6	T	42.8	Very low	58	Low	101 Å²	101	124.9 Å²	124.9	62%	0.62	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-62.5	126.1	173.7	30.4	0	0	0	0	108.5	Q4 F8	Q4-T6 PolarHBondContact O-N 3.03Å; T6-F8 PolarHBondContact O-N 3.41Å
7	P	44.2	Very low	59.8	Low	118 Å²	118	123.1 Å²	123.1	77%	0.766	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-67.2	124	-177.1	25.8	-31.3	0	0	0	108.8
8	F	52.3	Low	61.2	Low	150 Å²	150	117.3 Å²	117.3	66%	0.658	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-51.3	134.3	161.7	-119.9	-92.9	0	0	0	107.5	T6 L10 T12 M13	T6-F8 PolarHBondContact O-N 3.41Å; F8-L10 PolarHBondContact O-N 3.22Å; F8-T12 HydrophobicContact CD1-CG2 4.11Å; F8-T12 HydrophobicContact CE1-CG2 4.05Å; F8-M13 HydrophobicContact CB-CG 4.01Å; F8-M13 HydrophobicContact CB-SD 4.05Å
9	P	69.7	Low	62.5	Low	81 Å²	81	112.7 Å²	112.7	53%	0.526	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-57.2	121.6	-177.8	-13.6	21.1	0	0	0	108.6	Q11 T12 M13	P9-Q11 PolarHBondContact O-N 2.9Å; P9-T12 WeakPolarHBondContact O-CA 3.35Å; P9-T12 WeakPolarHBondContact O-CB 3.12Å; P9-T12 PolarHBondContact O-N 2.73Å; P9-M13 PolarHBondContact O-N 3.05Å
10	L	75.8	Confident	63.7	Low	131 Å²	131	113.2 Å²	113.2	69%	0.686	61%	0.612	S	S	*	*	H	α-helix	trans	-45.8	-39	-175.3	178.2	63.8	0	0	0	112.3	F8 T12 M13 I14	F8-L10 PolarHBondContact O-N 3.22Å; L10-T12 PolarHBondContact O-N 3.09Å; L10-M13 PolarHBondContact O-N 3.12Å; L10-I14 HydrophobicContact CD1-CD1 4.24Å; L10-I14 HydrophobicContact CD1-CG1 4.41Å; L10-I14 HydrophobicContact CD2-CD1 4.48Å; L10-I14 HydrophobicContact CG-CD1 3.84Å; L10-I14 HydrophobicContact CG-CG1 4.43Å; L10-I14 VanDerWaalsContact O-CG1 3.26Å; L10-I14 WeakPolarHBondContact O-CG1 3.48Å; L10-I14 PolarHBondContact O-N 3.4Å
11	Q	72	Confident	65	Low	163 Å²	163	112 Å²	112	76%	0.762	61%	0.605	S	S	*	*	H	α-helix	trans	-60	-38.4	176	-70.6	178.5	-8.4	0	0	113.9	P9 I14 A15	P9-Q11 PolarHBondContact O-N 2.9Å; Q11-I14 PolarHBondContact O-N 3.33Å; Q11-A15 WeakPolarHBondContact O-CB 3.12Å; Q11-A15 PolarHBondContact O-N 2.96Å
12	T	73	Confident	67.3	Low	61 Å²	61	101.3 Å²	101.3	37%	0.374	55%	0.552	S	S	.	*	H	α-helix	trans	-68.7	-39.8	178	-55.5	0	0	0	0	110.8	F8 P9 L10 A15 K16	F8-T12 HydrophobicContact CD1-CG2 4.11Å; F8-T12 HydrophobicContact CE1-CG2 4.05Å; P9-T12 WeakPolarHBondContact O-CA 3.35Å; P9-T12 WeakPolarHBondContact O-CB 3.12Å; P9-T12 PolarHBondContact O-N 2.73Å; L10-T12 PolarHBondContact O-N 3.09Å; T12-A15 PolarHBondContact O-N 3.29Å; T12-K16 WeakPolarHBondContact O-CB 3.23Å; T12-K16 PolarHBondContact O-N 3.38Å
13	M	77.8	Confident	69.9	Low	105 Å²	105	101.6 Å²	101.6	52%	0.517	54%	0.538	S	S	.	.	H	α-helix	trans	-65.1	-46	174.2	-69.8	-173	76.8	0	0	111.2	F8 P9 L10 A15 K16 V17	F8-M13 HydrophobicContact CB-CG 4.01Å; F8-M13 HydrophobicContact CB-SD 4.05Å; P9-M13 PolarHBondContact O-N 3.05Å; L10-M13 PolarHBondContact O-N 3.12Å; M13-A15 VanDerWaalsContact C-N 3.33Å; M13-A15 PolarHBondContact O-N 2.83Å; M13-K16 PolarHBondContact O-N 2.86Å; M13-V17 VanDerWaalsContact O-CG2 3.31Å; M13-V17 WeakPolarHBondContact O-CG2 3.36Å; M13-V17 PolarHBondContact O-N 2.54Å
14	I	82	Confident	72.6	Confident	79 Å²	79	97.7 Å²	97.7	41%	0.405	52%	0.517	S	S	.	.	H	α-helix	trans	-57.5	-46.8	176.5	-68.2	168	0	0	0	110.5	L10 Q11 K16 V17 A18 V265	L10-I14 HydrophobicContact CD1-CD1 4.24Å; L10-I14 HydrophobicContact CD1-CG1 4.41Å; L10-I14 HydrophobicContact CD2-CD1 4.48Å; L10-I14 HydrophobicContact CG-CD1 3.84Å; L10-I14 HydrophobicContact CG-CG1 4.43Å; L10-I14 VanDerWaalsContact O-CG1 3.26Å; L10-I14 WeakPolarHBondContact O-CG1 3.48Å; L10-I14 PolarHBondContact O-N 3.4Å; Q11-I14 PolarHBondContact O-N 3.33Å; I14-K16 VanDerWaalsContact C-N 3.34Å; I14-K16 PolarHBondContact O-N 3.13Å; I14-V17 PolarHBondContact O-N 3.14Å; I14-A18 WeakPolarHBondContact O-CB 3.18Å; I14-A18 PolarHBondContact O-N 3.41Å; I14-V265 HydrophobicContact CG2-CG1 3.47Å; I14-V265 VanDerWaalsContact CG2-CG1 3.47Å
15	A	77.5	Confident	75.3	Confident	18 Å²	18	92 Å²	92	15%	0.149	49%	0.49	C	S	.	.	H	α-helix	trans	-63.3	-39.5	178.7	0	0	0	0	0	112.5	Q11 T12 M13 A18 G19 Q261 S264	Q11-A15 WeakPolarHBondContact O-CB 3.12Å; Q11-A15 PolarHBondContact O-N 2.96Å; T12-A15 PolarHBondContact O-N 3.29Å; M13-A15 VanDerWaalsContact C-N 3.33Å; M13-A15 PolarHBondContact O-N 2.83Å; A15-A18 PolarHBondContact O-N 2.84Å; A15-G19 PolarHBondContact O-N 3.34Å; A15-Q261 HydrophobicContact CB-CG 4.46Å; A15-S264 WeakPolarHBondContact CA-OG 3.37Å; A15-S264 PolarHBondContact O-OG 3.48Å
16	K	79.4	Confident	77.7	Confident	145 Å²	145	86.3 Å²	86.3	63%	0.63	46%	0.455	S	S	*	.	H	α-helix	trans	-65	-44.6	176	-169.5	176.4	-178.4	179.5	0	111.6	T12 M13 I14 G19 M20	T12-K16 WeakPolarHBondContact O-CB 3.23Å; T12-K16 PolarHBondContact O-N 3.38Å; M13-K16 PolarHBondContact O-N 2.86Å; I14-K16 VanDerWaalsContact C-N 3.34Å; I14-K16 PolarHBondContact O-N 3.13Å; K16-G19 PolarHBondContact O-N 3.42Å; K16-M20 WeakPolarHBondContact O-CG 3.43Å; K16-M20 PolarHBondContact O-N 2.85Å
17	V	87.3	Confident	79.9	Confident	94 Å²	94	87.7 Å²	87.7	57%	0.57	45%	0.453	S	S	*	.	H	α-helix	trans	-62.4	-46.1	176.1	171.6	0	0	0	0	110.6	M13 I14 G19 M20 D21	M13-V17 VanDerWaalsContact O-CG2 3.31Å; M13-V17 WeakPolarHBondContact O-CG2 3.36Å; M13-V17 PolarHBondContact O-N 2.54Å; I14-V17 PolarHBondContact O-N 3.14Å; V17-G19 VanDerWaalsContact C-N 3.3Å; V17-G19 PolarHBondContact O-N 2.88Å; V17-M20 WeakPolarHBondContact O-CB 3.3Å; V17-M20 PolarHBondContact O-N 2.85Å; V17-M20 VanDerWaalsContact O-N 3.07Å; V17-D21 PolarHBondContact O-N 2.92Å
18	A	86.5	Confident	82.1	Confident	20 Å²	20	88.9 Å²	88.9	17%	0.165	44%	0.442	C	S	.	.	H	α-helix	trans	-61.6	-38.2	176.1	0	0	0	0	0	112.2	I14 A15 M20 D21 E22 S264 V265	I14-A18 WeakPolarHBondContact O-CB 3.18Å; I14-A18 PolarHBondContact O-N 3.41Å; A15-A18 PolarHBondContact O-N 2.84Å; A18-M20 VanDerWaalsContact C-N 3.34Å; A18-M20 PolarHBondContact O-N 3.17Å; A18-D21 PolarHBondContact O-N 3.28Å; A18-E22 PolarHBondContact O-N 3.47Å; A18-S264 WeakPolarHBondContact CB-O 3.47Å; A18-V265 HydrophobicContact CB-CG1 4.09Å
19	G	84.7	Confident	83.8	Confident	29 Å²	29	83.1 Å²	83.1	30%	0.299	42%	0.416	S	S	.	.	H	α-helix	trans	-65.3	-33.7	172.8	0	0	0	0	0	113.7	A15 K16 V17 R23	A15-G19 PolarHBondContact O-N 3.34Å; K16-G19 PolarHBondContact O-N 3.42Å; V17-G19 VanDerWaalsContact C-N 3.3Å; V17-G19 PolarHBondContact O-N 2.88Å; G19-R23 PolarHBondContact O-N 2.94Å
20	M	87.8	Confident	84.6	Confident	123 Å²	123	81.9 Å²	81.9	61%	0.606	40%	0.402	S	S	*	.	H	α-helix	trans	-70.3	-41.9	172.9	-70.2	172.5	62.6	0	0	111.5	K16 V17 A18 E22 R23 L24	K16-M20 WeakPolarHBondContact O-CG 3.43Å; K16-M20 PolarHBondContact O-N 2.85Å; V17-M20 WeakPolarHBondContact O-CB 3.3Å; V17-M20 PolarHBondContact O-N 2.85Å; V17-M20 VanDerWaalsContact O-N 3.07Å; A18-M20 VanDerWaalsContact C-N 3.34Å; A18-M20 PolarHBondContact O-N 3.17Å; M20-E22 VanDerWaalsContact C-N 3.32Å; M20-E22 PolarHBondContact O-N 3.27Å; M20-R23 PolarHBondContact O-N 3.27Å; M20-L24 PolarHBondContact O-N 3.05Å
21	D	89.4	Confident	85.2	Confident	89 Å²	89	79.2 Å²	79.2	48%	0.476	39%	0.386	S	S	.	.	H	α-helix	trans	-60.5	-41.6	175.7	-166	48.4	0	0	0	111.3	V17 A18 R23 L24 E25	V17-D21 PolarHBondContact O-N 2.92Å; A18-D21 PolarHBondContact O-N 3.28Å; D21-R23 VanDerWaalsContact C-N 3.33Å; D21-R23 PolarHBondContact O-N 3.32Å; D21-L24 WeakPolarHBondContact O-CB 3.42Å; D21-L24 PolarHBondContact O-N 3.02Å; D21-L24 VanDerWaalsContact O-N 3.12Å; D21-E25 WeakPolarHBondContact O-CG 3.4Å; D21-E25 PolarHBondContact O-N 2.85Å
22	E	88.2	Confident	86	Confident	17 Å²	17	75.7 Å²	75.7	8%	0.079	37%	0.372	C	S	.	.	H	α-helix	trans	-61.6	-39.3	175.6	-172.3	62.8	-129.9	0	0	112.9	A18 M20 H26 Y238 R284 R286	A18-E22 PolarHBondContact O-N 3.47Å; M20-E22 VanDerWaalsContact C-N 3.32Å; M20-E22 PolarHBondContact O-N 3.27Å; E22-H26 WeakPolarHBondContact O-CB 3.18Å; E22-H26 PolarHBondContact O-N 2.99Å; E22-H26 VanDerWaalsContact O-N 3.09Å; E22-Y238 WeakPolarHBondContact CG-OH 3.37Å; E22-R284 WeakPolarHBondContact OE1-CD 3.19Å; E22-R284 IonicContact OE1-NE 3.77Å; E22-R284 PolarHBondContact OE1-NE 3.29Å; E22-R284 IonicContact OE2-CZ 2.82Å; E22-R284 VanDerWaalsContact OE2-CZ 3.27Å; E22-R284 IonicContact OE2-NE 3.96Å; E22-R284 PolarHBondContact OE2-NE 3.38Å; E22-R284 IonicContact OE2-NH2 2.72Å; E22-R284 PolarHBondContact OE2-NH2 2.87Å; E22-R286 IonicContact OE1-CZ 2.69Å; E22-R286 IonicContact OE1-NE 3.63Å; E22-R286 PolarHBondContact OE1-NE 3.08Å; E22-R286 IonicContact OE1-NH2 2.64Å; E22-R286 PolarHBondContact OE1-NH2 3.44Å; E22-R286 IonicContact OE2-NH2 2.85Å; E22-R286 PolarHBondContact OE2-NH2 3.28Å
23	R	88.6	Confident	86.4	Confident	140 Å²	140	75.2 Å²	75.2	53%	0.528	37%	0.366	S	S	.	.	H	α-helix	trans	-67.2	-41.3	173.7	-68.7	-177.9	-167.2	-172.6	4.1	111.2	G19 M20 D21 H26 F27 L237	G19-R23 PolarHBondContact O-N 2.94Å; M20-R23 PolarHBondContact O-N 3.27Å; D21-R23 VanDerWaalsContact C-N 3.33Å; D21-R23 PolarHBondContact O-N 3.32Å; R23-H26 PolarHBondContact O-N 3.03Å; R23-F27 HydrophobicContact CB-CE2 4.25Å; R23-F27 WeakPolarHBondContact O-CD2 3.27Å; R23-F27 WeakPolarHBondContact O-CG 3.45Å; R23-F27 PolarHBondContact O-N 3.46Å; R23-L237 HydrophobicContact CG-CD2 4.13Å
24	L	90.9	Very high	86.8	Confident	78 Å²	78	77.7 Å²	77.7	41%	0.408	37%	0.369	S	S	.	.	H	α-helix	trans	-60.3	-47.3	177.5	178.8	61.9	0	0	0	111.3	M20 D21 H26 F27 R28	M20-L24 PolarHBondContact O-N 3.05Å; D21-L24 WeakPolarHBondContact O-CB 3.42Å; D21-L24 PolarHBondContact O-N 3.02Å; D21-L24 VanDerWaalsContact O-N 3.12Å; L24-H26 VanDerWaalsContact C-N 3.3Å; L24-H26 PolarHBondContact O-N 2.73Å; L24-F27 PolarHBondContact O-N 2.9Å; L24-R28 WeakPolarHBondContact O-CG 3.39Å; L24-R28 PolarHBondContact O-N 3.15Å
25	E	91.3	Very high	87	Confident	60 Å²	60	80.8 Å²	80.8	28%	0.28	38%	0.376	S	S	.	.	H	α-helix	trans	-62.3	-37.3	176.8	-74.4	-57.5	118.6	0	0	112.4	D21 R28 Y29	D21-E25 WeakPolarHBondContact O-CG 3.4Å; D21-E25 PolarHBondContact O-N 2.85Å; E25-R28 WeakPolarHBondContact OE1-CD 3.47Å; E25-R28 IonicContact OE1-CZ 2.89Å; E25-R28 IonicContact OE1-NE 3.61Å; E25-R28 IonicContact OE1-NH1 3.17Å; E25-R28 PolarHBondContact OE1-NH1 2.71Å; E25-Y29 WeakPolarHBondContact O-CB 3.45Å; E25-Y29 PolarHBondContact O-N 2.79Å
26	H	89.6	Confident	87.2	Confident	10 Å²	10	84.6 Å²	84.6	5%	0.046	39%	0.389	C	S	.	.	H	α-helix	trans	-65.2	-43.3	173.1	-178.2	72.1	0	0	0	112.7	E22 R23 L24 Y29 F30 G236 L237	E22-H26 WeakPolarHBondContact O-CB 3.18Å; E22-H26 PolarHBondContact O-N 2.99Å; E22-H26 VanDerWaalsContact O-N 3.09Å; R23-H26 PolarHBondContact O-N 3.03Å; L24-H26 VanDerWaalsContact C-N 3.3Å; L24-H26 PolarHBondContact O-N 2.73Å; H26-Y29 WeakPolarHBondContact O-CB 3.16Å; H26-Y29 PolarHBondContact O-N 3.07Å; H26-F30 AromaticContact CE1-CE1 3.74Å; H26-F30 AromaticContact CE1-CE2 3.71Å; H26-F30 AromaticContact CE1-CZ 3.4Å; H26-F30 WeakPolarHBondContact CE1-CZ 3.41Å; H26-F30 AromaticContact NE2-CD2 3.74Å; H26-F30 AromaticContact NE2-CE2 3.16Å; H26-F30 WeakPolarHBondContact NE2-CE2 3.27Å; H26-F30 AromaticContact NE2-CZ 3.35Å; H26-F30 VanDerWaalsContact NE2-CZ 3.35Å; H26-F30 WeakPolarHBondContact NE2-CZ 3.36Å; H26-F30 PolarHBondContact O-N 3.14Å; H26-G236 PolarHBondContact CE1-O 2.94Å; H26-L237 HydrophobicContact CB-CD1 3.29Å
27	F	89.2	Confident	87.2	Confident	131 Å²	131	82.6 Å²	82.6	58%	0.575	39%	0.385	S	S	*	.	H	α-helix	trans	-65.4	-40.6	175.8	-71.4	-53	0	0	0	112.2	R23 L24 Y29 F30 E31	R23-F27 HydrophobicContact CB-CE2 4.25Å; R23-F27 WeakPolarHBondContact O-CD2 3.27Å; R23-F27 WeakPolarHBondContact O-CG 3.45Å; R23-F27 PolarHBondContact O-N 3.46Å; L24-F27 PolarHBondContact O-N 2.9Å; F27-Y29 VanDerWaalsContact C-N 3.28Å; F27-Y29 PolarHBondContact O-N 2.94Å; F27-F30 PolarHBondContact O-N 2.84Å; F27-E31 WeakPolarHBondContact O-CB 3.41Å; F27-E31 PolarHBondContact O-N 3.42Å
28	R	90.9	Very high	86.9	Confident	142 Å²	142	82.7 Å²	82.7	54%	0.536	38%	0.382	S	S	.	.	H	α-helix	trans	-57.3	-43	172.6	-76.7	173.7	170	174.7	-2.1	111.7	L24 E25 E31 L32	L24-R28 WeakPolarHBondContact O-CG 3.39Å; L24-R28 PolarHBondContact O-N 3.15Å; E25-R28 WeakPolarHBondContact OE1-CD 3.47Å; E25-R28 IonicContact OE1-CZ 2.89Å; E25-R28 IonicContact OE1-NE 3.61Å; E25-R28 IonicContact OE1-NH1 3.17Å; E25-R28 PolarHBondContact OE1-NH1 2.71Å; R28-E31 PolarHBondContact O-N 2.84Å; R28-L32 WeakPolarHBondContact O-CB 3.28Å; R28-L32 PolarHBondContact O-N 2.8Å
29	Y	88.3	Confident	86.7	Confident	29 Å²	29	86.6 Å²	86.6	11%	0.114	40%	0.4	C	S	.	.	H	α-helix	trans	-62.8	-45.5	175.8	159.4	-101.4	0	0	0	112.7	E25 H26 F27 L32 E33 R233 R286 P289	E25-Y29 WeakPolarHBondContact O-CB 3.45Å; E25-Y29 PolarHBondContact O-N 2.79Å; H26-Y29 WeakPolarHBondContact O-CB 3.16Å; H26-Y29 PolarHBondContact O-N 3.07Å; F27-Y29 VanDerWaalsContact C-N 3.28Å; F27-Y29 PolarHBondContact O-N 2.94Å; Y29-L32 PolarHBondContact O-N 2.94Å; Y29-E33 HydrophobicContact CD2-CG 4.4Å; Y29-E33 HydrophobicContact CE2-CG 3.96Å; Y29-E33 WeakPolarHBondContact O-CG 3.42Å; Y29-E33 PolarHBondContact O-N 2.88Å; Y29-R233 WeakPolarHBondContact OH-CD 3.47Å; Y29-R233 WeakPolarHBondContact OH-CG 3.24Å; Y29-R233 PolarHBondContact OH-NE 3.03Å; Y29-R233 PolarHBondContact OH-NH1 2.61Å; Y29-R286 HydrophobicContact CD1-CB 3.79Å; Y29-R286 HydrophobicContact CD2-CB 4.06Å; Y29-R286 HydrophobicContact CE1-CB 4.22Å; Y29-R286 HydrophobicContact CE2-CB 4.49Å; Y29-R286 HydrophobicContact CG-CB 3.66Å; Y29-P289 HydrophobicContact CE2-CG 4.48Å
30	F	86.5	Confident	86.3	Confident	55 Å²	55	93 Å²	93	24%	0.241	42%	0.415	C	S	.	.	H	α-helix	trans	-65.4	-38.3	175.2	-82.9	-6.7	0	0	0	113.1	H26 F27 L32 E33 R34	H26-F30 AromaticContact CE1-CE1 3.74Å; H26-F30 AromaticContact CE1-CE2 3.71Å; H26-F30 AromaticContact CE1-CZ 3.4Å; H26-F30 WeakPolarHBondContact CE1-CZ 3.41Å; H26-F30 AromaticContact NE2-CD2 3.74Å; H26-F30 AromaticContact NE2-CE2 3.16Å; H26-F30 WeakPolarHBondContact NE2-CE2 3.27Å; H26-F30 AromaticContact NE2-CZ 3.35Å; H26-F30 VanDerWaalsContact NE2-CZ 3.35Å; H26-F30 WeakPolarHBondContact NE2-CZ 3.36Å; H26-F30 PolarHBondContact O-N 3.14Å; F27-F30 PolarHBondContact O-N 2.84Å; F30-L32 VanDerWaalsContact C-N 3.33Å; F30-E33 PolarHBondContact O-N 3.03Å; F30-R34 WeakPolarHBondContact O-CB 3.33Å; F30-R34 PolarHBondContact O-N 2.62Å
31	E	88.5	Confident	85.8	Confident	75 Å²	75	90.8 Å²	90.8	35%	0.35	41%	0.405	S	S	.	.	H	α-helix	trans	-62.4	-41.5	174.6	177.6	57.1	-163.4	0	0	111.2	F27 R28 R34 R35	F27-E31 WeakPolarHBondContact O-CB 3.41Å; F27-E31 PolarHBondContact O-N 3.42Å; R28-E31 PolarHBondContact O-N 2.84Å; E31-R34 WeakPolarHBondContact O-CB 3.33Å; E31-R34 PolarHBondContact O-N 3.3Å; E31-R35 WeakPolarHBondContact O-CG 3.31Å; E31-R35 PolarHBondContact O-N 2.67Å; E31-R35 IonicContact OE1-CZ 3.43Å; E31-R35 IonicContact OE1-NE 2.68Å; E31-R35 PolarHBondContact OE1-NE 2.63Å; E31-R35 IonicContact OE1-NH2 3.27Å; E31-R35 PolarHBondContact OE1-NH2 3.3Å
32	L	87.8	Confident	85.3	Confident	89 Å²	89	87.9 Å²	87.9	47%	0.466	40%	0.396	S	S	.	.	H	α-helix	trans	-61.1	-45.4	174.1	179	63.8	0	0	0	112.1	R28 Y29 F30 R34 R35 K36	R28-L32 WeakPolarHBondContact O-CB 3.28Å; R28-L32 PolarHBondContact O-N 2.8Å; Y29-L32 PolarHBondContact O-N 2.94Å; F30-L32 VanDerWaalsContact C-N 3.33Å; L32-R34 VanDerWaalsContact C-N 3.31Å; L32-R34 PolarHBondContact O-N 3.33Å; L32-R35 PolarHBondContact O-N 3.22Å; L32-K36 WeakPolarHBondContact O-CG 3.41Å; L32-K36 PolarHBondContact O-N 3.21Å
33	E	83.1	Confident	84.9	Confident	51 Å²	51	92 Å²	92	24%	0.238	42%	0.418	C	S	.	.	H	α-helix	trans	-65.1	-36.9	177.2	-68.5	-68.5	101.2	0	0	111.8	Y29 F30 K36 L37 R233	Y29-E33 HydrophobicContact CD2-CG 4.4Å; Y29-E33 HydrophobicContact CE2-CG 3.96Å; Y29-E33 WeakPolarHBondContact O-CG 3.42Å; Y29-E33 PolarHBondContact O-N 2.88Å; F30-E33 PolarHBondContact O-N 3.03Å; E33-K36 IonicContact OE1-NZ 3.87Å; E33-K36 PolarHBondContact OE1-NZ 2.87Å; E33-L37 PolarHBondContact O-N 2.75Å; E33-L37 VanDerWaalsContact O-N 3.09Å; E33-R233 IonicContact OE2-CZ 2.77Å; E33-R233 VanDerWaalsContact OE2-CZ 3.27Å; E33-R233 IonicContact OE2-NH1 3.45Å; E33-R233 PolarHBondContact OE2-NH1 2.81Å; E33-R233 IonicContact OE2-NH2 3.49Å; E33-R233 PolarHBondContact OE2-NH2 3.31Å
34	R	85	Confident	84.3	Confident	157 Å²	157	90.6 Å²	90.6	59%	0.592	42%	0.42	S	S	*	.	H	α-helix	trans	-63.8	-44.9	174.2	-175.8	-178	-179.6	167	0.6	111.5	F30 E31 L32 L37 L38	F30-R34 WeakPolarHBondContact O-CB 3.33Å; F30-R34 PolarHBondContact O-N 2.62Å; E31-R34 WeakPolarHBondContact O-CB 3.33Å; E31-R34 PolarHBondContact O-N 3.3Å; L32-R34 VanDerWaalsContact C-N 3.31Å; L32-R34 PolarHBondContact O-N 3.33Å; R34-L37 WeakPolarHBondContact O-CB 3.05Å; R34-L37 PolarHBondContact O-N 2.74Å; R34-L38 HydrophobicContact CG-CD1 4.26Å; R34-L38 WeakPolarHBondContact O-CG 3Å; R34-L38 PolarHBondContact O-N 2.84Å
35	R	85.7	Confident	83.7	Confident	144 Å²	144	91.3 Å²	91.3	54%	0.543	42%	0.424	S	S	.	.	H	α-helix	trans	-58.9	-49.1	176.3	-73.6	175.1	-174.1	-159.5	-0.8	111.5	E31 L32 L37 L38 D39	E31-R35 WeakPolarHBondContact O-CG 3.31Å; E31-R35 PolarHBondContact O-N 2.67Å; E31-R35 IonicContact OE1-CZ 3.43Å; E31-R35 IonicContact OE1-NE 2.68Å; E31-R35 PolarHBondContact OE1-NE 2.63Å; E31-R35 IonicContact OE1-NH2 3.27Å; E31-R35 PolarHBondContact OE1-NH2 3.3Å; L32-R35 PolarHBondContact O-N 3.22Å; R35-L37 PolarHBondContact O-N 3.27Å; R35-L38 WeakPolarHBondContact O-CB 3.5Å; R35-L38 PolarHBondContact O-N 2.91Å; R35-D39 VanDerWaalsContact O-CG 3.24Å; R35-D39 PolarHBondContact O-N 3.06Å
36	K	83.5	Confident	83.2	Confident	98 Å²	98	93.5 Å²	93.5	43%	0.426	44%	0.437	S	S	.	.	H	α-helix	trans	-56.4	-37.9	175.1	-69.2	174.7	-171.7	166.6	0	112.9	L32 E33 R40	L32-K36 WeakPolarHBondContact O-CG 3.41Å; L32-K36 PolarHBondContact O-N 3.21Å; E33-K36 IonicContact OE1-NZ 3.87Å; E33-K36 PolarHBondContact OE1-NZ 2.87Å; K36-R40 WeakPolarHBondContact O-CG 3.38Å; K36-R40 PolarHBondContact O-N 3.15Å
37	L	77.8	Confident	82.5	Confident	103 Å²	103	98.6 Å²	98.6	54%	0.539	46%	0.464	S	S	.	.	H	α-helix	trans	-67.9	-44.5	176	177.7	63.1	0	0	0	111.5	E33 R34 R35 D39 R40 I41	E33-L37 PolarHBondContact O-N 2.75Å; E33-L37 VanDerWaalsContact O-N 3.09Å; R34-L37 WeakPolarHBondContact O-CB 3.05Å; R34-L37 PolarHBondContact O-N 2.74Å; R35-L37 PolarHBondContact O-N 3.27Å; L37-D39 VanDerWaalsContact C-N 3.34Å; L37-R40 PolarHBondContact O-N 3.5Å; L37-I41 HydrophobicContact CD1-CD1 4.29Å; L37-I41 HydrophobicContact CG-CD1 4.05Å; L37-I41 WeakPolarHBondContact O-CG1 3.45Å; L37-I41 PolarHBondContact O-N 2.85Å
38	L	82.4	Confident	81.9	Confident	96 Å²	96	95.5 Å²	95.5	50%	0.503	46%	0.459	S	S	.	.	H	α-helix	trans	-62.2	-41.6	176.9	-69.9	172.6	0	0	0	111.7	R34 R35 R40 I41 G42	R34-L38 HydrophobicContact CG-CD1 4.26Å; R34-L38 WeakPolarHBondContact O-CG 3Å; R34-L38 PolarHBondContact O-N 2.84Å; R35-L38 WeakPolarHBondContact O-CB 3.5Å; R35-L38 PolarHBondContact O-N 2.91Å; L38-R40 VanDerWaalsContact C-N 3.33Å; L38-R40 PolarHBondContact O-N 3.35Å; L38-I41 PolarHBondContact O-N 3.03Å; L38-G42 PolarHBondContact O-N 3.14Å
39	D	81.7	Confident	81.3	Confident	103 Å²	103	96.2 Å²	96.2	55%	0.551	46%	0.461	S	S	*	.	H	α-helix	trans	-59.4	-45	175.7	-64.3	-27.3	0	0	0	110.9	R35 L37 I41 G42 I43	R35-D39 VanDerWaalsContact O-CG 3.24Å; R35-D39 PolarHBondContact O-N 3.06Å; L37-D39 VanDerWaalsContact C-N 3.34Å; D39-I41 PolarHBondContact O-N 2.88Å; D39-G42 PolarHBondContact O-N 3.26Å; D39-I43 WeakPolarHBondContact O-CG1 3.38Å; D39-I43 PolarHBondContact O-N 2.89Å
40	R	75.1	Confident	80.7	Confident	164 Å²	164	97.1 Å²	97.1	62%	0.619	48%	0.48	S	S	*	.	H	α-helix	trans	-61.9	-42.9	175.3	-74.7	175.4	177	-165.9	-2.6	112.7	K36 L37 L38 G42 I43 L44	K36-R40 WeakPolarHBondContact O-CG 3.38Å; K36-R40 PolarHBondContact O-N 3.15Å; L37-R40 PolarHBondContact O-N 3.5Å; L38-R40 VanDerWaalsContact C-N 3.33Å; L38-R40 PolarHBondContact O-N 3.35Å; R40-G42 VanDerWaalsContact C-N 3.31Å; R40-I43 PolarHBondContact O-N 3.47Å; R40-L44 WeakPolarHBondContact O-CG 3.42Å; R40-L44 PolarHBondContact O-N 2.89Å
41	I	77.9	Confident	80	Confident	76 Å²	76	97.9 Å²	97.9	39%	0.39	50%	0.496	S	S	.	.	H	α-helix	trans	-62.2	-43.6	175.6	-69.1	167.1	0	0	0	109.7	L37 L38 D39 I43 L44 L45	L37-I41 HydrophobicContact CD1-CD1 4.29Å; L37-I41 HydrophobicContact CG-CD1 4.05Å; L37-I41 WeakPolarHBondContact O-CG1 3.45Å; L37-I41 PolarHBondContact O-N 2.85Å; L38-I41 PolarHBondContact O-N 3.03Å; D39-I41 PolarHBondContact O-N 2.88Å; I41-I43 PolarHBondContact O-N 3.46Å; I41-L44 PolarHBondContact O-N 3.04Å; I41-L45 HydrophobicContact CG2-CD1 3.78Å; I41-L45 HydrophobicContact CG2-CG 4.18Å; I41-L45 WeakPolarHBondContact O-CB 3.41Å; I41-L45 VanDerWaalsContact O-CG 3.28Å; I41-L45 WeakPolarHBondContact O-CG 3.23Å; I41-L45 PolarHBondContact O-N 3.29Å
42	G	78.7	Confident	78.9	Confident	28 Å²	28	100.1 Å²	100.1	29%	0.289	51%	0.509	S	S	.	.	H	α-helix	trans	-58.3	-45.1	175.8	0	0	0	0	0	112.7	L38 D39 R40 L45 N46	L38-G42 PolarHBondContact O-N 3.14Å; D39-G42 PolarHBondContact O-N 3.26Å; R40-G42 VanDerWaalsContact C-N 3.31Å; G42-L45 PolarHBondContact O-N 3.32Å; G42-N46 WeakPolarHBondContact O-CB 3.47Å; G42-N46 VanDerWaalsContact O-CG 3.3Å; G42-N46 PolarHBondContact O-N 3.13Å; G42-N46 PolarHBondContact O-ND2 2.85Å
43	I	79.5	Confident	77.6	Confident	104 Å²	104	103.5 Å²	103.5	53%	0.533	52%	0.522	S	S	.	.	H	α-helix	trans	-59.7	-50	175	-67.7	164.6	0	0	0	110.8	D39 R40 I41 L45 N46 L47	D39-I43 WeakPolarHBondContact O-CG1 3.38Å; D39-I43 PolarHBondContact O-N 2.89Å; R40-I43 PolarHBondContact O-N 3.47Å; I41-I43 PolarHBondContact O-N 3.46Å; I43-L45 VanDerWaalsContact C-N 3.33Å; I43-L45 PolarHBondContact O-N 3.47Å; I43-N46 PolarHBondContact O-N 3.41Å; I43-L47 HydrophobicContact CG2-CD1 4.03Å; I43-L47 HydrophobicContact CG2-CG 4.49Å; I43-L47 WeakPolarHBondContact O-CG 3.42Å; I43-L47 PolarHBondContact O-N 2.79Å
44	L	77.2	Confident	76.1	Confident	110 Å²	110	104.2 Å²	104.2	58%	0.576	54%	0.543	S	S	*	.	H	α-helix	trans	-62.2	-39.3	179.6	-71.2	171.6	0	0	0	112.5	R40 I41 S48	R40-L44 WeakPolarHBondContact O-CG 3.42Å; R40-L44 PolarHBondContact O-N 2.89Å; I41-L44 PolarHBondContact O-N 3.04Å; L44-S48 WeakPolarHBondContact O-CB 3.39Å; L44-S48 PolarHBondContact O-N 3.18Å; L44-S48 PolarHBondContact O-OG 3.18Å
45	L	78	Confident	74.4	Confident	93 Å²	93	100.4 Å²	100.4	49%	0.487	55%	0.546	S	S	.	.	H	α-helix	trans	-65.6	-41.1	175.7	-74.5	173.4	0	0	0	111.7	I41 G42 I43 S48 R49	I41-L45 HydrophobicContact CG2-CD1 3.78Å; I41-L45 HydrophobicContact CG2-CG 4.18Å; I41-L45 WeakPolarHBondContact O-CB 3.41Å; I41-L45 VanDerWaalsContact O-CG 3.28Å; I41-L45 WeakPolarHBondContact O-CG 3.23Å; I41-L45 PolarHBondContact O-N 3.29Å; G42-L45 PolarHBondContact O-N 3.32Å; I43-L45 VanDerWaalsContact C-N 3.33Å; I43-L45 PolarHBondContact O-N 3.47Å; L45-S48 PolarHBondContact O-N 2.98Å; L45-R49 WeakPolarHBondContact O-CB 3.25Å; L45-R49 WeakPolarHBondContact O-CG 3.31Å; L45-R49 PolarHBondContact O-N 3.38Å
46	N	79.8	Confident	72.4	Confident	105 Å²	105	100.4 Å²	100.4	56%	0.561	56%	0.556	S	S	*	*	H	α-helix	trans	-66	-42.6	177	-74.7	-20.3	0	0	0	112	G42 I43 S48 R49 G50	G42-N46 WeakPolarHBondContact O-CB 3.47Å; G42-N46 VanDerWaalsContact O-CG 3.3Å; G42-N46 PolarHBondContact O-N 3.13Å; G42-N46 PolarHBondContact O-ND2 2.85Å; I43-N46 PolarHBondContact O-N 3.41Å; N46-S48 VanDerWaalsContact C-N 3.32Å; N46-S48 PolarHBondContact O-N 3.49Å; N46-R49 PolarHBondContact O-N 3.23Å; N46-G50 PolarHBondContact O-N 2.62Å
47	L	75.8	Confident	70.1	Confident	117 Å²	117	99.1 Å²	99.1	61%	0.613	57%	0.571	S	S	*	*	H	α-helix	trans	-59.9	-43.8	173.5	-70.1	170.8	0	0	0	111.3	I43 G50 A51	I43-L47 HydrophobicContact CG2-CD1 4.03Å; I43-L47 HydrophobicContact CG2-CG 4.49Å; I43-L47 WeakPolarHBondContact O-CG 3.42Å; I43-L47 PolarHBondContact O-N 2.79Å; L47-G50 PolarHBondContact O-N 3.01Å; L47-A51 PolarHBondContact O-N 3.15Å
48	S	76.1	Confident	68	Low	66 Å²	66	101.7 Å²	101.7	46%	0.462	59%	0.586	S	S	.	*	H	α-helix	trans	-66.1	-40.5	178.8	-54.9	0	0	0	0	112.3	L44 L45 N46 A51 L52	L44-S48 WeakPolarHBondContact O-CB 3.39Å; L44-S48 PolarHBondContact O-N 3.18Å; L44-S48 PolarHBondContact O-OG 3.18Å; L45-S48 PolarHBondContact O-N 2.98Å; N46-S48 VanDerWaalsContact C-N 3.32Å; N46-S48 PolarHBondContact O-N 3.49Å; S48-A51 PolarHBondContact O-N 2.88Å; S48-L52 WeakPolarHBondContact O-CG 3.37Å; S48-L52 PolarHBondContact O-N 3.23Å; S48-L52 VanDerWaalsContact O-N 3.09Å
49	R	79.4	Confident	65.6	Low	158 Å²	158	102.2 Å²	102.2	60%	0.596	60%	0.597	S	S	*	*	H	α-helix	trans	-64.9	-40.1	174.3	-77.4	177.7	175.2	173.5	-3	112.3	L45 N46 A51 L52 H53	L45-R49 WeakPolarHBondContact O-CB 3.25Å; L45-R49 WeakPolarHBondContact O-CG 3.31Å; L45-R49 PolarHBondContact O-N 3.38Å; N46-R49 PolarHBondContact O-N 3.23Å; R49-A51 VanDerWaalsContact C-N 3.33Å; R49-L52 PolarHBondContact O-N 2.92Å; R49-H53 PolarHBondContact O-CD2 2.59Å; R49-H53 VanDerWaalsContact O-CD2 3.26Å; R49-H53 PolarHBondContact O-N 3.04Å
50	G	74.3	Confident	63.4	Low	48 Å²	48	107.3 Å²	107.3	50%	0.495	62%	0.615	S	S	.	*	H	α-helix	trans	-61.2	-41.4	175.1	0	0	0	0	0	112.4	N46 L47 H53 G54	N46-G50 PolarHBondContact O-N 2.62Å; L47-G50 PolarHBondContact O-N 3.01Å; G50-H53 PolarHBondContact O-N 2.94Å; G50-G54 PolarHBondContact O-N 2.97Å
51	A	71.9	Confident	61.3	Low	70 Å²	70	103.2 Å²	103.2	58%	0.579	62%	0.616	S	S	*	*	H	α-helix	trans	-66.2	-37	175.8	0	0	0	0	0	112.9	L47 S48 R49	L47-A51 PolarHBondContact O-N 3.15Å; S48-A51 PolarHBondContact O-N 2.88Å; R49-A51 VanDerWaalsContact C-N 3.33Å
52	L	67.1	Low	59.3	Low	122 Å²	122	107.9 Å²	107.9	64%	0.639	64%	0.636	S	S	*	*	H	α-helix	trans	-68.5	-43.3	175.8	-73.3	164.9	0	0	0	112.2	S48 R49 G54 A55	S48-L52 WeakPolarHBondContact O-CG 3.37Å; S48-L52 PolarHBondContact O-N 3.23Å; S48-L52 VanDerWaalsContact O-N 3.09Å; R49-L52 PolarHBondContact O-N 2.92Å; L52-G54 VanDerWaalsContact C-N 3.28Å; L52-G54 PolarHBondContact O-N 2.77Å; L52-A55 PolarHBondContact O-N 2.78Å
53	H	60.3	Low	57.2	Low	160 Å²	160	111.5 Å²	111.5	74%	0.741	66%	0.657	S	S	*	*	H	α-helix	trans	-73.4	-16.8	177.8	-75.4	-60.1	0	0	0	114.1	R49 G50	R49-H53 PolarHBondContact O-CD2 2.59Å; R49-H53 VanDerWaalsContact O-CD2 3.26Å; R49-H53 PolarHBondContact O-N 3.04Å; G50-H53 PolarHBondContact O-N 2.94Å
54	G	51	Low	55.1	Low	66 Å²	66	113.2 Å²	113.2	68%	0.68	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-9	173.8	0	0	0	0	0	114.5	G50 L52	G50-G54 PolarHBondContact O-N 2.97Å; L52-G54 VanDerWaalsContact C-N 3.28Å; L52-G54 PolarHBondContact O-N 2.77Å
55	A	49.3	Very low	52.8	Low	77 Å²	77	112.5 Å²	112.5	64%	0.636	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-17.1	-178.2	0	0	0	0	0	113.8	L52	L52-A55 PolarHBondContact O-N 2.78Å
56	D	43.2	Very low	50.7	Low	144 Å²	144	116.3 Å²	116.3	77%	0.77	70%	0.697	S	S	*	*			trans	-104.6	83.7	175.4	-75.1	-25.2	0	0	0	110.2	D58	D56-D58 PolarHBondContact O-N 2.88Å
57	G	34.6	Very low	48.4	Very low	72 Å²	72	119 Å²	119	74%	0.742	71%	0.712	S	S	*	*			trans	-75.6	98.4	155.4	0	0	0	0	0	109.3
58	D	34.2	Very low	46.5	Very low	157 Å²	157	119.3 Å²	119.3	84%	0.84	71%	0.712	S	S	*	*	S	Bend		-172.6	126.1	126.1	-109.3	-16.5	0	0	0	110.5	D56	D56-D58 PolarHBondContact O-N 2.88Å
59	S	32.3	Very low	44.7	Very low	107 Å²	107	121.9 Å²	121.9	75%	0.748	72%	0.721	S	S	*	*			trans	15.3	112.7	164.1	62.8	0	0	0	0	119.7
60	F	34.7	Very low	42.9	Very low	209 Å²	209	124.5 Å²	124.5	92%	0.917	73%	0.731	S	S	*	*			trans	-155.3	129.4	131.7	-141.9	-101.5	0	0	0	112
61	A	32.6	Very low	41.2	Very low	78 Å²	78	125.4 Å²	125.4	65%	0.645	73%	0.733	S	S	*	*			trans	-77.1	171.8	-178.5	0	0	0	0	0	112.5
62	E	36	Very low	39.8	Very low	174 Å²	174	125.5 Å²	125.5	81%	0.813	73%	0.73	S	S	*	*			trans	87.4	89.9	160.2	-69.2	-176.9	155.8	0	0	119.5
63	S	33.2	Very low	38.5	Very low	104 Å²	104	125.9 Å²	125.9	73%	0.727	73%	0.728	S	S	*	*				42.5	111.9	122.7	61.5	0	0	0	0	119.3
64	T	35.6	Very low	37.9	Very low	140 Å²	140	122.7 Å²	122.7	86%	0.859	72%	0.72	S	S	*	*				-149.4	127.6	129.3	-26.6	0	0	0	0	111.7
65	S	29.2	Very low	37.7	Very low	96 Å²	96	127 Å²	127	67%	0.671	72%	0.721	S	S	*	*			trans	-32.6	133.2	174	53	0	0	0	0	118.2
66	L	34.4	Very low	37.4	Very low	173 Å²	173	128.8 Å²	128.8	91%	0.906	72%	0.719	S	S	*	*			trans	-152.5	97.1	134.6	-97.2	166.1	0	0	0	107.6	I68	L66-I68 PolarHBondContact O-N 2.8Å; L66-I68 VanDerWaalsContact O-N 3.09Å
67	N	30.6	Very low	37.5	Very low	162 Å²	162	123.3 Å²	123.3	87%	0.866	70%	0.696	S	S	*	*			trans	-65.8	98.8	176.6	-77.4	-30	0	0	0	110.5
68	I	36.8	Very low	38.4	Very low	123 Å²	123	122.3 Å²	122.3	63%	0.631	68%	0.681	S	S	*	*	S	Bend	trans	-131.7	119.9	151.4	-62.1	178.6	0	0	0	104.6	L66 R70	L66-I68 PolarHBondContact O-N 2.8Å; L66-I68 VanDerWaalsContact O-N 3.09Å; I68-R70 PolarHBondContact O-N 2.84Å
69	D	37.6	Very low	39.1	Very low	119 Å²	119	118.4 Å²	118.4	64%	0.636	66%	0.663	S	S	*	*			trans	-44.5	94.1	-172.1	-82.5	-34.5	0	0	0	113.6	A71 S72 Q73	D69-A71 PolarHBondContact O-N 2.78Å; D69-S72 PolarHBondContact O-N 2.81Å; D69-Q73 PolarHBondContact O-N 2.75Å
70	R	41.7	Very low	39.9	Very low	214 Å²	214	119.1 Å²	119.1	81%	0.808	66%	0.657	S	S	*	*	H	α-helix	trans	-59.2	-25.8	174.5	-101.8	179	171.2	161	-3.3	112	I68 T74	I68-R70 PolarHBondContact O-N 2.84Å; R70-T74 WeakPolarHBondContact O-CB 3.47Å; R70-T74 PolarHBondContact O-N 2.89Å; R70-T74 VanDerWaalsContact O-N 3.11Å; R70-T74 PolarHBondContact O-OG1 3.4Å
71	A	38.7	Very low	40.7	Very low	66 Å²	66	117.4 Å²	117.4	55%	0.545	65%	0.652	S	S	.	*	H	α-helix	trans	-74.1	-29.6	177.1	0	0	0	0	0	113.1	D69 T74 K75	D69-A71 PolarHBondContact O-N 2.78Å; A71-T74 WeakPolarHBondContact CA-OG1 3.26Å; A71-T74 PolarHBondContact O-OG1 2.75Å; A71-K75 WeakPolarHBondContact O-CB 3.36Å; A71-K75 PolarHBondContact O-N 2.91Å
72	S	42.4	Very low	41.6	Very low	73 Å²	73	117.7 Å²	117.7	51%	0.51	66%	0.655	S	S	.	*	H	α-helix	trans	-82.6	-34.8	178.1	-62.8	0	0	0	0	111.6	D69 L76	D69-S72 PolarHBondContact O-N 2.81Å; S72-L76 WeakPolarHBondContact O-CB 3.28Å; S72-L76 PolarHBondContact O-N 3.08Å
73	Q	41	Very low	42.2	Very low	129 Å²	129	115.2 Å²	115.2	60%	0.603	64%	0.644	S	S	*	*	H	α-helix	trans	-72.3	-36	173.9	-74.1	-170.7	-12.2	0	0	113.1	D69 G77	D69-Q73 PolarHBondContact O-N 2.75Å; Q73-G77 PolarHBondContact O-N 3.49Å
74	T	47.9	Very low	43.4	Very low	93 Å²	93	118.8 Å²	118.8	57%	0.571	66%	0.655	S	S	*	*	H	α-helix	trans	-73.2	-35	175.1	41.1	0	0	0	0	112.3	R70 A71 A78	R70-T74 WeakPolarHBondContact O-CB 3.47Å; R70-T74 PolarHBondContact O-N 2.89Å; R70-T74 VanDerWaalsContact O-N 3.11Å; R70-T74 PolarHBondContact O-OG1 3.4Å; A71-T74 WeakPolarHBondContact CA-OG1 3.26Å; A71-T74 PolarHBondContact O-OG1 2.75Å; T74-A78 WeakPolarHBondContact O-CB 3.16Å; T74-A78 PolarHBondContact O-N 3.32Å
75	K	46.6	Very low	44.4	Very low	158 Å²	158	120.1 Å²	120.1	69%	0.687	65%	0.649	S	S	*	*	H	α-helix	trans	-69.2	-40	171.8	-84.8	-178.2	175.5	179.3	0	113	A71 V79	A71-K75 WeakPolarHBondContact O-CB 3.36Å; A71-K75 PolarHBondContact O-N 2.91Å; K75-V79 WeakPolarHBondContact O-CB 3.48Å; K75-V79 WeakPolarHBondContact O-CG2 3.46Å; K75-V79 PolarHBondContact O-N 2.84Å
76	L	41.7	Very low	46.2	Very low	114 Å²	114	120.6 Å²	120.6	60%	0.597	65%	0.653	S	S	*	*	H	α-helix	trans	-71.6	-37.8	176.6	-163.5	73.1	0	0	0	111.8	S72 V79 L80	S72-L76 WeakPolarHBondContact O-CB 3.28Å; S72-L76 PolarHBondContact O-N 3.08Å; L76-V79 PolarHBondContact O-N 2.98Å; L76-L80 HydrophobicContact CG-CD1 4.24Å; L76-L80 WeakPolarHBondContact O-CB 3.03Å; L76-L80 WeakPolarHBondContact O-CD1 3.42Å; L76-L80 WeakPolarHBondContact O-CG 3.25Å; L76-L80 PolarHBondContact O-N 2.99Å
77	G	46.6	Very low	47.7	Very low	28 Å²	28	119.1 Å²	119.1	29%	0.289	65%	0.645	S	S	.	*	H	α-helix	trans	-62.7	-45.6	172.3	0	0	0	0	0	112.3	Q73 V79 L80 E81	Q73-G77 PolarHBondContact O-N 3.49Å; G77-V79 PolarHBondContact O-N 3.01Å; G77-L80 PolarHBondContact O-N 3.49Å; G77-E81 WeakPolarHBondContact O-CB 3.31Å; G77-E81 WeakPolarHBondContact O-CG 3.31Å; G77-E81 PolarHBondContact O-N 3.14Å
78	A	51.7	Low	49.7	Very low	52 Å²	52	116.6 Å²	116.6	43%	0.43	64%	0.638	S	S	.	*	H	α-helix	trans	-67.9	-31.9	175.5	0	0	0	0	0	113	T74 A82	T74-A78 WeakPolarHBondContact O-CB 3.16Å; T74-A78 PolarHBondContact O-N 3.32Å; A78-A82 WeakPolarHBondContact O-CB 3.23Å; A78-A82 PolarHBondContact O-N 3.28Å
79	V	50.1	Low	51.6	Low	75 Å²	75	113.6 Å²	113.6	46%	0.455	63%	0.628	S	S	.	*	H	α-helix	trans	-72.2	-36.3	173.3	169.2	0	0	0	0	111.6	K75 L76 G77 M83	K75-V79 WeakPolarHBondContact O-CB 3.48Å; K75-V79 WeakPolarHBondContact O-CG2 3.46Å; K75-V79 PolarHBondContact O-N 2.84Å; L76-V79 PolarHBondContact O-N 2.98Å; G77-V79 PolarHBondContact O-N 3.01Å; V79-M83 HydrophobicContact CG1-SD 4.48Å; V79-M83 WeakPolarHBondContact O-CB 3.23Å; V79-M83 VanDerWaalsContact O-CG 3.29Å; V79-M83 WeakPolarHBondContact O-CG 3.39Å; V79-M83 PolarHBondContact O-N 2.79Å
80	L	48	Very low	53.5	Low	122 Å²	122	110 Å²	110	64%	0.639	61%	0.61	S	S	*	*	H	α-helix	trans	-73.3	-32.1	174.1	-78.2	161.9	0	0	0	112.7	L76 G77	L76-L80 HydrophobicContact CG-CD1 4.24Å; L76-L80 WeakPolarHBondContact O-CB 3.03Å; L76-L80 WeakPolarHBondContact O-CD1 3.42Å; L76-L80 WeakPolarHBondContact O-CG 3.25Å; L76-L80 PolarHBondContact O-N 2.99Å; G77-L80 PolarHBondContact O-N 3.49Å
81	E	52	Low	55.4	Low	173 Å²	173	104.6 Å²	104.6	81%	0.808	59%	0.59	S	S	*	*	H	α-helix	trans	-74.9	-31.7	171.1	-77.6	-179.1	166.7	0	0	112.4	G77	G77-E81 WeakPolarHBondContact O-CB 3.31Å; G77-E81 WeakPolarHBondContact O-CG 3.31Å; G77-E81 PolarHBondContact O-N 3.14Å
82	A	51.2	Low	57.5	Low	84 Å²	84	104.4 Å²	104.4	69%	0.694	59%	0.589	S	S	*	*	H	α-helix	trans	-83.4	-16.8	176.9	0	0	0	0	0	113.7	A78 D84	A78-A82 WeakPolarHBondContact O-CB 3.23Å; A78-A82 PolarHBondContact O-N 3.28Å; A82-D84 PolarHBondContact O-N 2.58Å
83	M	50	Low	59.5	Low	122 Å²	122	104 Å²	104	60%	0.601	58%	0.58	S	S	*	*			trans	-86.9	101.3	168.8	-76	-170.9	165.2	0	0	108.5	V79 F85	V79-M83 HydrophobicContact CG1-SD 4.48Å; V79-M83 WeakPolarHBondContact O-CB 3.23Å; V79-M83 VanDerWaalsContact O-CG 3.29Å; V79-M83 WeakPolarHBondContact O-CG 3.39Å; V79-M83 PolarHBondContact O-N 2.79Å; M83-F85 HydrophobicContact CB-CB 4.48Å; M83-F85 PolarHBondContact O-N 2.95Å
84	D	57.8	Low	61.8	Low	178 Å²	178	97.8 Å²	97.8	95%	0.952	55%	0.552	S	S	*	*			trans	-66.9	36.2	173	-134.1	1.4	0	0	0	112.3	A82	A82-D84 PolarHBondContact O-N 2.58Å
85	F	55.6	Low	63.6	Low	168 Å²	168	97.8 Å²	97.8	74%	0.737	55%	0.553	S	S	*	*			trans	-112.5	99	-173.8	-171.5	-93.8	0	0	0	109.3	M83 L87	M83-F85 HydrophobicContact CB-CB 4.48Å; M83-F85 PolarHBondContact O-N 2.95Å; F85-L87 HydrophobicContact CZ-CD2 4.42Å
86	S	67.4	Low	65.5	Low	107 Å²	107	92 Å²	92	75%	0.748	53%	0.528	S	S	*	.			trans	-122.2	135.4	164.3	68	0	0	0	0	109.4
87	L	66.2	Low	67.7	Low	141 Å²	141	87.2 Å²	87.2	74%	0.738	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-65.5	134.3	169.6	-73.1	173.9	0	0	0	108.5	F85 S89	F85-L87 HydrophobicContact CZ-CD2 4.42Å; L87-S89 PolarHBondContact O-N 3.1Å; L87-S89 VanDerWaalsContact O-N 3.08Å
88	P	72.6	Confident	69.2	Low	110 Å²	110	89.1 Å²	89.1	71%	0.714	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-52.8	121.4	174.4	-26.2	33.9	0	0	0	110.2	A92	P88-A92 HydrophobicContact CB-CB 4.11Å
89	S	77	Confident	70.4	Confident	60 Å²	60	88.9 Å²	88.9	42%	0.42	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-80.4	169.3	174.8	73.9	0	0	0	0	110.4	L87 Y91 A92	L87-S89 PolarHBondContact O-N 3.1Å; L87-S89 VanDerWaalsContact O-N 3.08Å; S89-Y91 PolarHBondContact O-N 2.81Å; S89-Y91 VanDerWaalsContact O-N 3.09Å; S89-Y91 WeakPolarHBondContact OG-CB 3.35Å; S89-Y91 WeakPolarHBondContact OG-CD2 3.27Å; S89-Y91 PolarHBondContact OG-N 2.79Å; S89-A92 VanDerWaalsContact O-CB 3.22Å; S89-A92 WeakPolarHBondContact O-CB 3.44Å; S89-A92 PolarHBondContact O-N 3.22Å
90	V	77.4	Confident	71.6	Confident	42 Å²	42	95.2 Å²	95.2	26%	0.255	53%	0.527	S	S	.	.	H	α-helix	trans	-55.8	-28.2	172.6	72	0	0	0	0	112.2	A92 N93 L94 A296	V90-A92 PolarHBondContact O-N 3.38Å; V90-N93 PolarHBondContact O-N 3.42Å; V90-N93 VanDerWaalsContact O-N 3.08Å; V90-L94 PolarHBondContact O-N 3.25Å; V90-A296 HydrophobicContact CG2-CB 3.52Å
91	Y	80.9	Confident	73.2	Confident	102 Å²	102	93.8 Å²	93.8	40%	0.4	52%	0.52	S	S	.	.	H	α-helix	trans	-65.6	-20.7	176.1	-56	-75.2	0	0	0	112.9	S89 N93 L94 P95 I97 A98	S89-Y91 PolarHBondContact O-N 2.81Å; S89-Y91 VanDerWaalsContact O-N 3.09Å; S89-Y91 WeakPolarHBondContact OG-CB 3.35Å; S89-Y91 WeakPolarHBondContact OG-CD2 3.27Å; S89-Y91 PolarHBondContact OG-N 2.79Å; Y91-N93 VanDerWaalsContact C-N 3.25Å; Y91-N93 PolarHBondContact O-N 2.83Å; Y91-L94 CarbonylContact O-C 3.08Å; Y91-L94 PolarHBondContact O-N 3.11Å; Y91-P95 WeakPolarHBondContact O-CA 3.41Å; Y91-I97 HydrophobicContact CD1-CD1 4.38Å; Y91-I97 HydrophobicContact CD1-CG1 3.88Å; Y91-I97 HydrophobicContact CE1-CD1 4.33Å; Y91-I97 HydrophobicContact CE1-CG1 4.08Å; Y91-A98 HydrophobicContact CD1-CB 4.36Å
92	A	83.7	Confident	75	Confident	62 Å²	62	85.6 Å²	85.6	51%	0.512	48%	0.482	S	S	.	.	H	α-helix	trans	-64.6	-32.7	172.2	0	0	0	0	0	111.8	P88 S89 V90	P88-A92 HydrophobicContact CB-CB 4.11Å; S89-A92 VanDerWaalsContact O-CB 3.22Å; S89-A92 WeakPolarHBondContact O-CB 3.44Å; S89-A92 PolarHBondContact O-N 3.22Å; V90-A92 PolarHBondContact O-N 3.38Å
93	N	85.1	Confident	76.7	Confident	63 Å²	63	85 Å²	85	34%	0.337	47%	0.466	S	S	.	.	H	α-helix	trans	-87	-19.7	175.6	-59.3	-67	0	0	0	112.7	V90 Y91 A296	V90-N93 PolarHBondContact O-N 3.42Å; V90-N93 VanDerWaalsContact O-N 3.08Å; Y91-N93 VanDerWaalsContact C-N 3.25Å; Y91-N93 PolarHBondContact O-N 2.83Å; N93-A296 WeakPolarHBondContact CB-O 3.24Å
94	L	87.8	Confident	78.7	Confident	0 Å²	0	84 Å²	84	0%	0	46%	0.461	C	S	.	.			trans	-134.9	69.4	-178.8	-61.9	172	0	0	0	110.3	V90 Y91 H96 I97 L223 M226 A296 Y299	V90-L94 PolarHBondContact O-N 3.25Å; Y91-L94 CarbonylContact O-C 3.08Å; Y91-L94 PolarHBondContact O-N 3.11Å; L94-H96 VanDerWaalsContact CD2-CE1 3.5Å; L94-H96 WeakPolarHBondContact CD2-CE1 3.24Å; L94-H96 PolarHBondContact O-N 2.88Å; L94-I97 HydrophobicContact CB-CD1 3.87Å; L94-I97 HydrophobicContact CB-CG1 3.73Å; L94-I97 HydrophobicContact CD1-CD1 3.81Å; L94-I97 VanDerWaalsContact O-CG1 3.24Å; L94-I97 WeakPolarHBondContact O-CG1 3.22Å; L94-I97 PolarHBondContact O-N 3.38Å; L94-L223 HydrophobicContact CD2-CD2 3.95Å; L94-M226 HydrophobicContact CD1-CE 3.5Å; L94-M226 VanDerWaalsContact CD1-CE 3.5Å; L94-A296 HydrophobicContact CD1-CB 4.29Å; L94-Y299 HydrophobicContact CD2-CD1 4.07Å; L94-Y299 HydrophobicContact CD2-CE1 3.51Å; L94-Y299 HydrophobicContact CD2-CE2 4.21Å
95	P	86.8	Confident	80.5	Confident	92 Å²	92	77.6 Å²	77.6	60%	0.597	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-65.1	-29.6	-174.6	23.2	-33.6	0	0	0	112.8	Y91 I97 A98	Y91-P95 WeakPolarHBondContact O-CA 3.41Å; P95-I97 PolarHBondContact O-N 2.74Å; P95-A98 VanDerWaalsContact O-CB 3.24Å; P95-A98 WeakPolarHBondContact O-CB 3.29Å; P95-A98 PolarHBondContact O-N 3.05Å; P95-A98 VanDerWaalsContact O-N 3.12Å
96	H	85.7	Confident	82.4	Confident	38 Å²	38	71.8 Å²	71.8	18%	0.176	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-64	-24.1	179.1	58.6	-80.1	0	0	0	113.6	L94 A98 Y196	L94-H96 VanDerWaalsContact CD2-CE1 3.5Å; L94-H96 WeakPolarHBondContact CD2-CE1 3.24Å; L94-H96 PolarHBondContact O-N 2.88Å; H96-A98 VanDerWaalsContact C-N 3.34Å; H96-Y196 PolarHBondContact CD2-O 3.44Å; H96-Y196 PolarHBondContact NE2-O 3.37Å; H96-Y196 VanDerWaalsContact NE2-O 3.07Å
97	I	87.4	Confident	83.9	Confident	12 Å²	12	67.7 Å²	67.7	6%	0.062	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-90.7	6	177.2	72.7	168.3	0	0	0	113.8	Y91 L94 P95 S99 A102 M103 Y196	Y91-I97 HydrophobicContact CD1-CD1 4.38Å; Y91-I97 HydrophobicContact CD1-CG1 3.88Å; Y91-I97 HydrophobicContact CE1-CD1 4.33Å; Y91-I97 HydrophobicContact CE1-CG1 4.08Å; L94-I97 HydrophobicContact CB-CD1 3.87Å; L94-I97 HydrophobicContact CB-CG1 3.73Å; L94-I97 HydrophobicContact CD1-CD1 3.81Å; L94-I97 VanDerWaalsContact O-CG1 3.24Å; L94-I97 WeakPolarHBondContact O-CG1 3.22Å; L94-I97 PolarHBondContact O-N 3.38Å; P95-I97 PolarHBondContact O-N 2.74Å; I97-S99 PolarHBondContact O-N 2.99Å; I97-A102 HydrophobicContact CB-CB 4.13Å; I97-A102 HydrophobicContact CG2-CB 4.26Å; I97-M103 HydrophobicContact CB-SD 4.19Å; I97-M103 HydrophobicContact CD1-SD 4.02Å; I97-Y196 HydrophobicContact CG2-CD2 3.73Å; I97-Y196 HydrophobicContact CG2-CE2 3.95Å; I97-Y196 WeakPolarHBondContact CG2-O 3.44Å
98	A	78.7	Confident	85.4	Confident	69 Å²	69	64 Å²	64	57%	0.57	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-64.9	-24	174.7	0	0	0	0	0	111.8	Y91 P95 H96	Y91-A98 HydrophobicContact CD1-CB 4.36Å; P95-A98 VanDerWaalsContact O-CB 3.24Å; P95-A98 WeakPolarHBondContact O-CB 3.29Å; P95-A98 PolarHBondContact O-N 3.05Å; P95-A98 VanDerWaalsContact O-N 3.12Å; H96-A98 VanDerWaalsContact C-N 3.34Å
99	S	76.8	Confident	86.6	Confident	47 Å²	47	60.4 Å²	60.4	33%	0.329	34%	0.341	S	S	.	.	S	Bend	trans	-70.2	140.8	172.8	92.6	0	0	0	0	110.6	I97 N101 A102 E195	I97-S99 PolarHBondContact O-N 2.99Å; S99-N101 PolarHBondContact O-N 3.27Å; S99-A102 PolarHBondContact O-N 2.81Å; S99-A102 WeakPolarHBondContact OG-CB 3.32Å; S99-A102 PolarHBondContact OG-N 3.5Å; S99-E195 PolarHBondContact OG-OE2 2.73Å
100	R	75	Confident	87.5	Confident	208 Å²	208	58.8 Å²	58.8	79%	0.785	33%	0.33	S	S	*	.	H	α-helix	trans	-61	-33.1	174.4	-172.4	177.5	-178.7	-176	-0.4	111.7	A102 M103 M104	R100-A102 VanDerWaalsContact C-N 3.34Å; R100-A102 PolarHBondContact O-N 3Å; R100-M103 PolarHBondContact O-N 2.77Å; R100-M104 HydrophobicContact CG-SD 4.44Å; R100-M104 WeakPolarHBondContact O-CG 3.3Å; R100-M104 PolarHBondContact O-N 2.75Å
101	N	82.6	Confident	88.4	Confident	92 Å²	92	59.1 Å²	59.1	49%	0.492	34%	0.337	S	S	.	.	H	α-helix	trans	-66.5	-33.8	-177.9	-67.3	-6.3	0	0	0	112.4	S99 M103 M104 S193 E195	S99-N101 PolarHBondContact O-N 3.27Å; N101-M103 VanDerWaalsContact C-N 3.29Å; N101-M103 PolarHBondContact O-N 2.91Å; N101-M104 PolarHBondContact O-N 3.32Å; N101-S193 WeakPolarHBondContact O-CB 3.28Å; N101-E195 WeakPolarHBondContact CB-OE2 3.47Å
102	A	88.5	Confident	89	Confident	0 Å²	0	60 Å²	60	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63.3	-34.6	176.7	0	0	0	0	0	112.9	I97 S99 R100 E195 Y196	I97-A102 HydrophobicContact CB-CB 4.13Å; I97-A102 HydrophobicContact CG2-CB 4.26Å; S99-A102 PolarHBondContact O-N 2.81Å; S99-A102 WeakPolarHBondContact OG-CB 3.32Å; S99-A102 PolarHBondContact OG-N 3.5Å; R100-A102 VanDerWaalsContact C-N 3.34Å; R100-A102 PolarHBondContact O-N 3Å; A102-E195 HydrophobicContact CB-CB 3.99Å; A102-E195 WeakPolarHBondContact CB-O 3.43Å; A102-Y196 WeakPolarHBondContact O-CB 3.44Å
103	M	87.9	Confident	89.5	Confident	72 Å²	72	59.4 Å²	59.4	36%	0.355	33%	0.329	S	S	.	.	H	α-helix	trans	-88	-15.4	179.5	-67.2	-59.1	-62.9	0	0	113.4	I97 R100 N101 Y196 Y227	I97-M103 HydrophobicContact CB-SD 4.19Å; I97-M103 HydrophobicContact CD1-SD 4.02Å; R100-M103 PolarHBondContact O-N 2.77Å; N101-M103 VanDerWaalsContact C-N 3.29Å; N101-M103 PolarHBondContact O-N 2.91Å; M103-Y196 HydrophobicContact SD-CD2 3.98Å; M103-Y196 HydrophobicContact SD-CE2 3.96Å; M103-Y227 PolarHBondContact O-OH 3.4Å; M103-Y227 VanDerWaalsContact O-OH 3.13Å
104	M	91.5	Very high	89.9	Confident	100 Å²	100	64.2 Å²	64.2	49%	0.493	34%	0.343	S	S	.	.	S	Bend	trans	-73.2	136.4	175.1	-75.3	-177.3	62	0	0	110.5	R100 N101 S193	R100-M104 HydrophobicContact CG-SD 4.44Å; R100-M104 WeakPolarHBondContact O-CG 3.3Å; R100-M104 PolarHBondContact O-N 2.75Å; N101-M104 PolarHBondContact O-N 3.32Å; M104-S193 WeakPolarHBondContact O-CB 3.33Å
105	P	95.7	Very high	90.1	Very high	45 Å²	45	67.3 Å²	67.3	29%	0.292	37%	0.374	S	S	.	.			trans	-70.8	142.9	176.8	28.6	-33.2	0	0	0	111	A107 L108 L190 V191 Y227	P105-A107 VanDerWaalsContact C-N 3.26Å; P105-L108 HydrophobicContact CB-CB 4.44Å; P105-L108 HydrophobicContact CG-CB 3.96Å; P105-L108 HydrophobicContact CG-CD2 4.41Å; P105-L190 HydrophobicContact CB-CD1 3.53Å; P105-L190 HydrophobicContact CG-CD1 4.11Å; P105-V191 CarbonylContact C-O 3.39Å; P105-V191 VanDerWaalsContact CA-O 3.22Å; P105-V191 WeakPolarHBondContact CA-O 3.35Å; P105-V191 VanDerWaalsContact CB-O 3.28Å; P105-V191 WeakPolarHBondContact CB-O 3.24Å; P105-Y227 WeakPolarHBondContact CA-OH 3.11Å
106	A	96.8	Very high	90.5	Very high	45 Å²	45	63.2 Å²	63.2	37%	0.372	35%	0.348	S	S	.	.	S	Bend	trans	-67.1	-31.4	171.2	0	0	0	0	0	111.8	V191	A106-V191 HydrophobicContact CB-CB 4.42Å; A106-V191 HydrophobicContact CB-CG1 4.16Å; A106-V191 PolarHBondContact N-O 2.6Å
107	A	97.4	Very high	91.1	Very high	21 Å²	21	63.1 Å²	63.1	17%	0.174	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	143	170.4	0	0	0	0	0	110.3	P105 L163 I171 V191	P105-A107 VanDerWaalsContact C-N 3.26Å; A107-L163 HydrophobicContact CB-CD1 3.99Å; A107-I171 HydrophobicContact CB-CD1 4.02Å; A107-V191 HydrophobicContact CB-CB 4.07Å; A107-V191 HydrophobicContact CB-CG2 3.86Å; A107-V191 PolarHBondContact O-N 3.06Å
108	L	97.4	Very high	91.6	Very high	64 Å²	64	62.5 Å²	62.5	34%	0.335	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	117.9	178	174.2	59.6	0	0	0	109.3	P105 L189 L190 Y231	P105-L108 HydrophobicContact CB-CB 4.44Å; P105-L108 HydrophobicContact CG-CB 3.96Å; P105-L108 HydrophobicContact CG-CD2 4.41Å; L108-L189 WeakPolarHBondContact CA-O 3.45Å; L108-L190 HydrophobicContact CD1-CD1 4.1Å; L108-Y231 HydrophobicContact CD1-CE2 4.22Å; L108-Y231 WeakPolarHBondContact CD1-OH 3.48Å
109	V	97.8	Very high	92.5	Very high	34 Å²	34	59.2 Å²	59.2	21%	0.206	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	105	170.5	-174.7	0	0	0	0	107.2	I171 L182 E188 L189	V109-I171 HydrophobicContact CG2-CG2 4.03Å; V109-L182 HydrophobicContact CG1-CD1 4.48Å; V109-L182 HydrophobicContact CG1-CD2 4.23Å; V109-E188 WeakPolarHBondContact O-CA 3.35Å; V109-L189 HydrophobicContact CB-CB 4.04Å; V109-L189 HydrophobicContact CB-CD1 4.27Å; V109-L189 HydrophobicContact CB-CG 4.23Å; V109-L189 HydrophobicContact CG2-CB 4.41Å; V109-L189 HydrophobicContact CG2-CD1 4.39Å; V109-L189 PolarHBondContact N-O 3.22Å; V109-L189 PolarHBondContact O-N 3.3Å
110	S	96.3	Very high	93.5	Very high	26 Å²	26	57 Å²	57	18%	0.182	30%	0.3	C	S	.	.			trans	-153.6	142.3	-170.1	161.5	0	0	0	0	111	H112 E188	S110-H112 VanDerWaalsContact OG-CA 3.3Å; S110-H112 WeakPolarHBondContact OG-CA 3.36Å; S110-H112 PolarHBondContact OG-N 2.97Å; S110-H112 PolarHBondContact OG-ND1 3.11Å; S110-E188 PolarHBondContact OG-OE1 3.35Å
111	A	96.4	Very high	94.7	Very high	50 Å²	50	47.1 Å²	47.1	41%	0.413	26%	0.263	S	S	.	.			trans	-87	11.9	166.4	0	0	0	0	0	112.3	R113	A111-R113 VanDerWaalsContact C-N 3.26Å; A111-R113 PolarHBondContact O-N 3.39Å
112	H	94.2	Very high	95.4	Very high	120 Å²	120	42.7 Å²	42.7	56%	0.556	24%	0.239	S	C	*	.			trans	53.8	35.9	179.8	-59.2	-50	0	0	0	114.9	S110	S110-H112 VanDerWaalsContact OG-CA 3.3Å; S110-H112 WeakPolarHBondContact OG-CA 3.36Å; S110-H112 PolarHBondContact OG-N 2.97Å; S110-H112 PolarHBondContact OG-ND1 3.11Å
113	R	94	Very high	95.8	Very high	49 Å²	49	43.3 Å²	43.3	19%	0.185	24%	0.243	C	C	.	.			trans	-70.5	137.3	-177.7	-168.4	179.7	178.1	-168.4	-6.3	111.2	A111 V116 R149 K150 V152 G185	A111-R113 VanDerWaalsContact C-N 3.26Å; A111-R113 PolarHBondContact O-N 3.39Å; R113-V116 HydrophobicContact CG-CG1 4.06Å; R113-R149 PolarHBondContact NH1-O 3.25Å; R113-R149 PolarHBondContact NH2-O 2.95Å; R113-K150 PolarHBondContact NH2-O 3.12Å; R113-V152 PolarHBondContact NH1-O 3.31Å; R113-G185 WeakPolarHBondContact CD-O 3.32Å; R113-G185 PolarHBondContact NH1-O 2.91Å
114	R	93.2	Very high	96.2	Very high	165 Å²	165	40 Å²	40	62%	0.623	23%	0.227	S	C	*	.			trans	-141.3	166.2	-180	-61.7	-175.2	-179	-163.2	0.9	110.9	V116 R235	R114-V116 VanDerWaalsContact C-N 3.33Å; R114-R235 CarbonylContact C-O 3.55Å
115	G	92	Very high	96.2	Very high	64 Å²	64	36.8 Å²	36.8	66%	0.66	21%	0.213	S	C	*	.			trans	74.6	20.9	177.7	0	0	0	0	0	113.9	R235	G115-R235 PolarHBondContact N-O 2.59Å
116	V	96.2	Very high	95.9	Very high	7 Å²	7	43 Å²	43	4%	0.042	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	159.8	176.9	-61.5	0	0	0	0	111.2	R113 R114 L118 L153 R235 G236 L237	R113-V116 HydrophobicContact CG-CG1 4.06Å; R114-V116 VanDerWaalsContact C-N 3.33Å; V116-L118 WeakPolarHBondContact CG2-O 3.2Å; V116-L153 HydrophobicContact CB-CB 4.49Å; V116-L153 HydrophobicContact CG1-CB 4.21Å; V116-L153 HydrophobicContact CG2-CB 3.71Å; V116-R235 WeakPolarHBondContact CG2-O 3.49Å; V116-R235 PolarHBondContact N-O 2.83Å; V116-R235 VanDerWaalsContact N-O 3.11Å; V116-G236 CarbonylContact O-C 3.6Å; V116-G236 WeakPolarHBondContact O-CA 3.43Å; V116-L237 PolarHBondContact O-N 2.62Å
117	Y	96.9	Very high	95.1	Very high	35 Å²	35	42.5 Å²	42.5	14%	0.137	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-44.6	176.2	-176.4	-91.7	0	0	0	111.1	H151 L237 Y238 F253 K257 V260	Y117-H151 WeakPolarHBondContact CB-O 3.49Å; Y117-H151 PolarHBondContact N-O 2.99Å; Y117-L237 HydrophobicContact CD2-CD2 4.13Å; Y117-L237 HydrophobicContact CE2-CD2 4.12Å; Y117-L237 WeakPolarHBondContact O-CB 3.28Å; Y117-Y238 HydrophobicContact CD1-CD2 4.12Å; Y117-Y238 HydrophobicContact CD2-CE2 4.36Å; Y117-Y238 AromaticContact CE1-CD2 3.71Å; Y117-Y238 HydrophobicContact CE1-CD2 3.71Å; Y117-Y238 AromaticContact CE1-CE2 3.89Å; Y117-Y238 HydrophobicContact CE1-CE2 3.89Å; Y117-Y238 HydrophobicContact CE2-CD2 4.16Å; Y117-Y238 AromaticContact CE2-CE2 3.68Å; Y117-Y238 HydrophobicContact CE2-CE2 3.68Å; Y117-Y238 AromaticContact CZ-CD2 3.75Å; Y117-Y238 AromaticContact CZ-CE2 3.41Å; Y117-Y238 VanDerWaalsContact CZ-CE2 3.41Å; Y117-Y238 WeakPolarHBondContact O-CD2 3.16Å; Y117-Y238 PolarHBondContact O-N 3.48Å; Y117-Y238 WeakPolarHBondContact OH-CE2 3.21Å; Y117-F253 AromaticContact CD1-CE2 3.82Å; Y117-F253 HydrophobicContact CD1-CE2 3.82Å; Y117-F253 AromaticContact CD1-CZ 3.91Å; Y117-F253 HydrophobicContact CD1-CZ 3.91Å; Y117-F253 HydrophobicContact CG-CZ 4.42Å; Y117-K257 HydrophobicContact CD1-CG 4.07Å; Y117-K257 HydrophobicContact CE1-CD 4.35Å; Y117-K257 HydrophobicContact CE1-CG 3.54Å; Y117-V260 WeakPolarHBondContact OH-CG1 3.48Å
118	L	98.1	Very high	93.8	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	127.8	-177.6	179.9	65.9	0	0	0	110.9	V116 I120 H151 V152 L153 M240 F253 I256 L282	V116-L118 WeakPolarHBondContact CG2-O 3.2Å; L118-I120 HydrophobicContact CD2-CD1 4.03Å; L118-I120 HydrophobicContact CD2-CG1 3.9Å; L118-I120 HydrophobicContact CG-CG1 3.94Å; L118-H151 PolarHBondContact N-O 2.78Å; L118-H151 VanDerWaalsContact N-O 3.09Å; L118-V152 HydrophobicContact CB-CG2 4.42Å; L118-V152 CarbonylContact O-C 3.51Å; L118-V152 WeakPolarHBondContact O-CA 3.45Å; L118-L153 PolarHBondContact O-N 2.86Å; L118-M240 HydrophobicContact CD1-CB 4.03Å; L118-F253 HydrophobicContact CB-CD2 4.42Å; L118-F253 HydrophobicContact CB-CE2 3.84Å; L118-F253 HydrophobicContact CD2-CD2 3.9Å; L118-F253 HydrophobicContact CD2-CE2 4.16Å; L118-I256 HydrophobicContact CD2-CD1 3.93Å; L118-L282 HydrophobicContact CD1-CD1 4.1Å
119	T	98.2	Very high	92.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.8	164.6	-50.1	0	0	0	0	109.2	L153 V155 C232 R235 G236 Y238 Y239 M240	T119-L153 CarbonylContact C-O 3.54Å; T119-L153 VanDerWaalsContact CA-O 3.29Å; T119-L153 WeakPolarHBondContact CA-O 3.49Å; T119-L153 HydrophobicContact CG2-CB 4.36Å; T119-L153 HydrophobicContact CG2-CD2 4.33Å; T119-L153 HydrophobicContact CG2-CG 4.44Å; T119-V155 HydrophobicContact CG2-CG2 3.82Å; T119-C232 HydrophobicContact CG2-CB 3.59Å; T119-C232 VanDerWaalsContact CG2-SG 3.57Å; T119-R235 HydrophobicContact CG2-CB 4.46Å; T119-G236 PolarHBondContact OG1-N 2.97Å; T119-Y238 PolarHBondContact N-O 2.88Å; T119-Y239 CarbonylContact O-C 3.48Å; T119-Y239 VanDerWaalsContact O-CA 3.3Å; T119-Y239 WeakPolarHBondContact O-CA 3.38Å; T119-M240 PolarHBondContact O-N 3.12Å
120	I	98.5	Very high	91.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.6	179.5	-59	178.8	0	0	0	107.8	L118 I122 V152 L153 I154 V155 M240 L242 F252	L118-I120 HydrophobicContact CD2-CD1 4.03Å; L118-I120 HydrophobicContact CD2-CG1 3.9Å; L118-I120 HydrophobicContact CG-CG1 3.94Å; I120-I122 HydrophobicContact CG2-CD1 4.43Å; I120-I122 HydrophobicContact CG2-CG1 4.14Å; I120-V152 HydrophobicContact CD1-CG1 3.84Å; I120-V152 HydrophobicContact CG1-CG1 4.24Å; I120-L153 PolarHBondContact N-O 2.96Å; I120-I154 HydrophobicContact CB-CG1 4.45Å; I120-I154 HydrophobicContact CD1-CG1 4.46Å; I120-V155 PolarHBondContact O-N 3.03Å; I120-M240 WeakPolarHBondContact CA-O 3.32Å; I120-L242 HydrophobicContact CG2-CB 4.37Å; I120-L242 HydrophobicContact CG2-CD1 3.37Å; I120-L242 HydrophobicContact CG2-CG 3.81Å; I120-F252 HydrophobicContact CD1-CE2 3.94Å; I120-F252 HydrophobicContact CD1-CZ 4.05Å
121	G	98.5	Very high	90.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.8	176.2	0	0	0	0	0	111.7	V155 L228 M240 L242	G121-V155 WeakPolarHBondContact CA-O 3.38Å; G121-L228 VanDerWaalsContact C-CD2 3.46Å; G121-M240 PolarHBondContact N-O 3.45Å; G121-L242 PolarHBondContact O-N 3.39Å
122	I	98.3	Very high	89.8	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	108.3	178.9	-56	173.2	0	0	0	109	I120 L133 T136 L140 I154 V155 V156 L157 L242 D244	I120-I122 HydrophobicContact CG2-CD1 4.43Å; I120-I122 HydrophobicContact CG2-CG1 4.14Å; I122-L133 HydrophobicContact CG2-CD1 3.96Å; I122-T136 HydrophobicContact CD1-CG2 4.35Å; I122-L140 HydrophobicContact CD1-CD1 3.5Å; I122-I154 HydrophobicContact CD1-CG2 3.63Å; I122-I154 HydrophobicContact CG1-CG2 4.41Å; I122-V155 PolarHBondContact N-O 3.27Å; I122-V156 HydrophobicContact CB-CG2 4.46Å; I122-V156 CarbonylContact O-C 3.58Å; I122-V156 VanDerWaalsContact O-CA 3.29Å; I122-V156 WeakPolarHBondContact O-CA 3.34Å; I122-L157 PolarHBondContact O-N 3.42Å; I122-L242 HydrophobicContact CG1-CB 4.11Å; I122-D244 HydrophobicContact CG2-CB 3.8Å
123	P	97.3	Very high	89.6	Confident	13 Å²	13	52.9 Å²	52.9	8%	0.084	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	141.1	170.9	30.7	-24	0	0	0	110.3	L157 Y225 L228 L242 D244	P123-L157 CarbonylContact C-O 3.35Å; P123-L157 WeakPolarHBondContact CA-O 3.5Å; P123-Y225 HydrophobicContact CB-CD1 4.48Å; P123-Y225 HydrophobicContact CB-CE1 4.12Å; P123-Y225 HydrophobicContact CG-CD1 4.04Å; P123-Y225 HydrophobicContact CG-CE1 3.37Å; P123-L228 HydrophobicContact CB-CD2 4.47Å; P123-L228 HydrophobicContact CG-CD2 4.49Å; P123-L242 WeakPolarHBondContact CD-O 2.91Å; P123-D244 WeakPolarHBondContact O-CB 3.2Å
124	T	95.7	Very high	89.3	Confident	3 Å²	3	51 Å²	51	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	143	175.8	-172.4	0	0	0	0	110.4	L133 V156 L157 I158 A159 D244	T124-L133 HydrophobicContact CG2-CD1 4.39Å; T124-L133 HydrophobicContact CG2-CD2 3.69Å; T124-V156 HydrophobicContact CG2-CG1 3.94Å; T124-L157 PolarHBondContact N-O 2.79Å; T124-I158 HydrophobicContact CG2-CB 4.28Å; T124-I158 HydrophobicContact CG2-CG1 4Å; T124-I158 HydrophobicContact CG2-CG2 4.47Å; T124-A159 PolarHBondContact O-N 3.13Å; T124-D244 WeakPolarHBondContact CA-OD2 3.23Å; T124-D244 WeakPolarHBondContact CB-OD2 3.42Å; T124-D244 PolarHBondContact OG1-OD2 3.11Å
125	V	92.4	Very high	88.7	Confident	32 Å²	32	47.9 Å²	47.9	19%	0.194	24%	0.24	C	C	.	.			trans	-136.8	159.4	178.6	-66.3	0	0	0	0	109.2	R127 A159	V125-R127 PolarHBondContact O-N 2.83Å; V125-A159 HydrophobicContact CG1-CB 3.77Å
126	R	87.7	Confident	88.4	Confident	176 Å²	176	44.9 Å²	44.9	66%	0.664	21%	0.209	S	C	*	.			trans	-60.7	121.3	178.1	-170.4	175.3	-177.6	179.4	2.7	111.6	F166	R126-F166 HydrophobicContact CB-CD1 3.91Å; R126-F166 HydrophobicContact CB-CD2 3.91Å; R126-F166 HydrophobicContact CB-CE1 3.94Å; R126-F166 HydrophobicContact CB-CE2 3.92Å; R126-F166 HydrophobicContact CB-CG 3.9Å; R126-F166 HydrophobicContact CB-CZ 3.94Å; R126-F166 HydrophobicContact CG-CD2 3.73Å; R126-F166 HydrophobicContact CG-CE2 3.93Å; R126-F166 HydrophobicContact CG-CG 4.09Å; R126-F166 HydrophobicContact CG-CZ 4.45Å
127	R	81	Confident	88.1	Confident	34 Å²	34	44.5 Å²	44.5	13%	0.128	21%	0.207	C	C	.	.			trans	-105	153.6	166.8	-69	-174.9	-177.2	82.1	-9.5	110.1	V125 R130 D244 D245 E348	V125-R127 PolarHBondContact O-N 2.83Å; R127-R130 VanDerWaalsContact CB-O 3.31Å; R127-R130 WeakPolarHBondContact CB-O 3.39Å; R127-D244 IonicContact CZ-OD1 3.27Å; R127-D244 VanDerWaalsContact CZ-OD1 3.25Å; R127-D244 IonicContact CZ-OD2 2.66Å; R127-D244 IonicContact NH1-OD1 3.02Å; R127-D244 PolarHBondContact NH1-OD1 2.62Å; R127-D244 IonicContact NH1-OD2 3.63Å; R127-D244 PolarHBondContact NH1-OD2 3.18Å; R127-D244 IonicContact NH2-OD1 2.85Å; R127-D244 PolarHBondContact NH2-OD1 3.05Å; R127-D244 IonicContact NH2-OD2 2.81Å; R127-D245 IonicContact CZ-OD2 3.46Å; R127-D245 IonicContact NH2-OD2 2.6Å; R127-D245 PolarHBondContact NH2-OD2 2.94Å; R127-E348 PolarHBondContact NE-O 3.45Å
128	G	70.8	Confident	87.6	Confident	73 Å²	73	47.3 Å²	47.3	75%	0.753	22%	0.217	S	C	*	.	S	Bend	trans	-72.4	-44.4	-173.8	0	0	0	0	0	113.9
129	R	68.7	Low	86.9	Confident	225 Å²	225	48.5 Å²	48.5	85%	0.849	23%	0.225	S	C	*	.	S	Bend	trans	-114.4	-31.3	-168.2	-59.6	178.9	175.7	-179.4	-1	115	E348	R129-E348 WeakPolarHBondContact CB-OE2 3.43Å
130	R	71.2	Confident	86.6	Confident	149 Å²	149	48.6 Å²	48.6	56%	0.562	23%	0.226	S	C	*	.			trans	-134.7	134.1	-174.5	-70.6	-172.8	177.1	-176.4	-0.6	111.8	R127 Y132	R127-R130 VanDerWaalsContact CB-O 3.31Å; R127-R130 WeakPolarHBondContact CB-O 3.39Å; R130-Y132 HydrophobicContact CB-CE1 4.16Å; R130-Y132 HydrophobicContact CB-CE2 4.04Å
131	N	79.6	Confident	86.1	Confident	62 Å²	62	48.6 Å²	48.6	33%	0.332	23%	0.226	S	C	.	.			trans	-103	120.3	166.9	-175.5	-9.7	0	0	0	107.7	L133 Q173	N131-L133 VanDerWaalsContact OD1-CB 3.23Å; N131-L133 WeakPolarHBondContact OD1-CB 3.47Å; N131-L133 PolarHBondContact OD1-N 3.19Å; N131-Q173 PolarHBondContact ND2-OE1 3.27Å
132	Y	82.7	Confident	85.4	Confident	23 Å²	23	53.8 Å²	53.8	9%	0.09	25%	0.25	C	C	.	.			trans	-100.2	-11	-179.5	-56.4	-79.7	0	0	0	112.9	R130 V134 E135 T136 D244 D245 L347	R130-Y132 HydrophobicContact CB-CE1 4.16Å; R130-Y132 HydrophobicContact CB-CE2 4.04Å; Y132-V134 VanDerWaalsContact C-N 3.33Å; Y132-V134 PolarHBondContact O-N 3.1Å; Y132-E135 PolarHBondContact O-N 3.36Å; Y132-T136 PolarHBondContact O-N 2.81Å; Y132-T136 PolarHBondContact O-OG1 3.05Å; Y132-T136 VanDerWaalsContact O-OG1 3.12Å; Y132-D244 CarbonylContact C-O 3.56Å; Y132-D244 VanDerWaalsContact CB-O 3.22Å; Y132-D244 WeakPolarHBondContact CB-O 3.47Å; Y132-D244 VanDerWaalsContact O-O 3.12Å; Y132-D245 HydrophobicContact CD1-CB 4.39Å; Y132-D245 HydrophobicContact CD2-CB 3.61Å; Y132-D245 HydrophobicContact CE2-CB 4.35Å; Y132-D245 HydrophobicContact CG-CB 3.64Å; Y132-L347 PolarHBondContact OH-N 2.66Å
133	L	91.5	Very high	84.5	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.2	-41.7	-169.3	178.1	64.5	0	0	0	112.2	I122 T124 N131 T136 I137 V156 T170 L174 D244	I122-L133 HydrophobicContact CG2-CD1 3.96Å; T124-L133 HydrophobicContact CG2-CD1 4.39Å; T124-L133 HydrophobicContact CG2-CD2 3.69Å; N131-L133 VanDerWaalsContact OD1-CB 3.23Å; N131-L133 WeakPolarHBondContact OD1-CB 3.47Å; N131-L133 PolarHBondContact OD1-N 3.19Å; L133-T136 PolarHBondContact O-N 2.89Å; L133-I137 HydrophobicContact CD1-CD1 3.78Å; L133-I137 HydrophobicContact CD1-CG1 4.14Å; L133-I137 HydrophobicContact CG-CD1 3.8Å; L133-I137 HydrophobicContact CG-CG1 4.49Å; L133-I137 VanDerWaalsContact O-CG1 3.31Å; L133-I137 WeakPolarHBondContact O-CG1 3.29Å; L133-I137 PolarHBondContact O-N 3.12Å; L133-V156 HydrophobicContact CD1-CG1 3.98Å; L133-V156 HydrophobicContact CD1-CG2 4.44Å; L133-V156 HydrophobicContact CD2-CG1 4.13Å; L133-T170 HydrophobicContact CD2-CG2 3.95Å; L133-L174 HydrophobicContact CD2-CD1 3.87Å; L133-L174 HydrophobicContact CD2-CD2 4.29Å; L133-L174 HydrophobicContact CD2-CG 4.5Å; L133-D244 WeakPolarHBondContact CA-O 3.43Å; L133-D244 HydrophobicContact CB-CB 4.28Å; L133-D244 HydrophobicContact CD1-CB 3.8Å; L133-D244 PolarHBondContact N-O 3.11Å
134	V	87.4	Confident	83.9	Confident	11 Å²	11	53.9 Å²	53.9	7%	0.067	25%	0.25	C	S	.	.	H	α-helix	trans	-64.6	-45.4	-178.1	175.5	0	0	0	0	110.4	Y132 R138 L174 T177 F178	Y132-V134 VanDerWaalsContact C-N 3.33Å; Y132-V134 PolarHBondContact O-N 3.1Å; V134-R138 VanDerWaalsContact CG1-NH2 3.31Å; V134-R138 VanDerWaalsContact O-CB 3.25Å; V134-R138 WeakPolarHBondContact O-CB 3.12Å; V134-R138 PolarHBondContact O-N 3.05Å; V134-L174 HydrophobicContact CG2-CD2 4.35Å; V134-T177 HydrophobicContact CG1-CG2 4.22Å; V134-F178 HydrophobicContact CG1-CE2 4.2Å; V134-F178 HydrophobicContact CG1-CZ 4.11Å
135	E	79.1	Confident	83.2	Confident	98 Å²	98	58.9 Å²	58.9	46%	0.458	27%	0.274	S	S	.	.	H	α-helix	trans	-62.9	-43.2	175.6	-74.2	61.9	-134.5	0	0	111.6	Y132 R138 S139	Y132-E135 PolarHBondContact O-N 3.36Å; E135-R138 PolarHBondContact O-N 2.91Å; E135-R138 IonicContact OE1-NH1 2.86Å; E135-R138 PolarHBondContact OE1-NH1 3.06Å; E135-S139 VanDerWaalsContact O-CB 3.31Å; E135-S139 WeakPolarHBondContact O-CB 3.45Å; E135-S139 PolarHBondContact O-N 2.98Å
136	T	86	Confident	82.9	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.006	30%	0.295	C	S	.	.	H	α-helix	trans	-60.1	-51.6	177.5	-66.2	0	0	0	0	111.8	I122 Y132 L133 R138 S139 L140 D244 L246	I122-T136 HydrophobicContact CD1-CG2 4.35Å; Y132-T136 PolarHBondContact O-N 2.81Å; Y132-T136 PolarHBondContact O-OG1 3.05Å; Y132-T136 VanDerWaalsContact O-OG1 3.12Å; L133-T136 PolarHBondContact O-N 2.89Å; T136-R138 VanDerWaalsContact C-N 3.34Å; T136-R138 PolarHBondContact O-N 2.72Å; T136-S139 PolarHBondContact O-N 3.14Å; T136-L140 HydrophobicContact CG2-CD1 4.22Å; T136-L140 WeakPolarHBondContact O-CG 3.37Å; T136-L140 PolarHBondContact O-N 3.2Å; T136-D244 WeakPolarHBondContact CB-O 3.5Å; T136-D244 PolarHBondContact OG1-O 2.61Å; T136-L246 WeakPolarHBondContact CA-O 3.28Å; T136-L246 HydrophobicContact CG2-CD1 3.5Å; T136-L246 HydrophobicContact CG2-CG 4.23Å; T136-L246 PolarHBondContact OG1-N 3.19Å; T136-L246 PolarHBondContact OG1-O 2.8Å
137	I	91.5	Very high	82.9	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.8	-44.1	178.3	-67	167.9	0	0	0	110.4	L133 S139 L140 I141 V156 L174 F178 L187	L133-I137 HydrophobicContact CD1-CD1 3.78Å; L133-I137 HydrophobicContact CD1-CG1 4.14Å; L133-I137 HydrophobicContact CG-CD1 3.8Å; L133-I137 HydrophobicContact CG-CG1 4.49Å; L133-I137 VanDerWaalsContact O-CG1 3.31Å; L133-I137 WeakPolarHBondContact O-CG1 3.29Å; L133-I137 PolarHBondContact O-N 3.12Å; I137-S139 VanDerWaalsContact C-N 3.35Å; I137-S139 PolarHBondContact O-N 3.29Å; I137-L140 PolarHBondContact O-N 3.17Å; I137-I141 HydrophobicContact CG2-CD1 3.64Å; I137-I141 HydrophobicContact CG2-CG1 4.32Å; I137-I141 WeakPolarHBondContact O-CG1 3.31Å; I137-I141 PolarHBondContact O-N 3.45Å; I137-V156 HydrophobicContact CD1-CG2 3.82Å; I137-V156 HydrophobicContact CG1-CG2 4.36Å; I137-L174 HydrophobicContact CD1-CD1 4.44Å; I137-L174 HydrophobicContact CD1-CD2 3.69Å; I137-F178 HydrophobicContact CB-CE1 4.5Å; I137-F178 HydrophobicContact CB-CE2 3.95Å; I137-F178 HydrophobicContact CB-CZ 3.88Å; I137-F178 HydrophobicContact CD1-CE2 4.25Å; I137-F178 HydrophobicContact CG2-CD1 4.08Å; I137-F178 HydrophobicContact CG2-CD2 3.98Å; I137-F178 HydrophobicContact CG2-CE1 3.83Å; I137-F178 HydrophobicContact CG2-CE2 3.71Å; I137-F178 HydrophobicContact CG2-CG 4.15Å; I137-F178 HydrophobicContact CG2-CZ 3.63Å; I137-L187 HydrophobicContact CD1-CD1 4.49Å; I137-L187 HydrophobicContact CG2-CD2 4.35Å
138	R	86.4	Confident	83.3	Confident	94 Å²	94	59.7 Å²	59.7	36%	0.355	28%	0.284	S	S	.	.	H	α-helix	trans	-59.6	-46.5	177.7	-173.5	-179.6	-64.9	110.8	0.8	111.1	V134 E135 T136 L140 I141 H142 F178	V134-R138 VanDerWaalsContact CG1-NH2 3.31Å; V134-R138 VanDerWaalsContact O-CB 3.25Å; V134-R138 WeakPolarHBondContact O-CB 3.12Å; V134-R138 PolarHBondContact O-N 3.05Å; E135-R138 PolarHBondContact O-N 2.91Å; E135-R138 IonicContact OE1-NH1 2.86Å; E135-R138 PolarHBondContact OE1-NH1 3.06Å; T136-R138 VanDerWaalsContact C-N 3.34Å; T136-R138 PolarHBondContact O-N 2.72Å; R138-L140 VanDerWaalsContact C-N 3.34Å; R138-L140 PolarHBondContact O-N 3.08Å; R138-I141 PolarHBondContact O-N 2.94Å; R138-H142 WeakPolarHBondContact CG-ND1 3.3Å; R138-H142 WeakPolarHBondContact O-CB 2.89Å; R138-H142 PolarHBondContact O-N 3.46Å; R138-H142 PolarHBondContact O-ND1 3.23Å; R138-F178 HydrophobicContact CB-CE1 4.32Å; R138-F178 HydrophobicContact CB-CZ 4.26Å
139	S	82.4	Confident	84.5	Confident	25 Å²	25	58.6 Å²	58.6	18%	0.175	26%	0.257	C	S	.	.	H	α-helix	trans	-59	-45.2	178.6	-177.7	0	0	0	0	111.3	E135 T136 I137 S143 T248	E135-S139 VanDerWaalsContact O-CB 3.31Å; E135-S139 WeakPolarHBondContact O-CB 3.45Å; E135-S139 PolarHBondContact O-N 2.98Å; T136-S139 PolarHBondContact O-N 3.14Å; I137-S139 VanDerWaalsContact C-N 3.35Å; I137-S139 PolarHBondContact O-N 3.29Å; S139-S143 WeakPolarHBondContact O-CB 3.2Å; S139-S143 PolarHBondContact O-N 3.14Å; S139-S143 VanDerWaalsContact O-N 3.13Å; S139-S143 PolarHBondContact O-OG 2.93Å; S139-T248 VanDerWaalsContact O-CG2 3.32Å; S139-T248 WeakPolarHBondContact O-CG2 3.3Å; S139-T248 WeakPolarHBondContact OG-CG2 3.26Å; S139-T248 PolarHBondContact OG-N 2.86Å
140	L	91.9	Very high	85.7	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-51.9	177.3	-70.1	167.4	0	0	0	112	I122 T136 I137 R138 H142 S143 M144 I154 L242 T248 F252 F342	I122-L140 HydrophobicContact CD1-CD1 3.5Å; T136-L140 HydrophobicContact CG2-CD1 4.22Å; T136-L140 WeakPolarHBondContact O-CG 3.37Å; T136-L140 PolarHBondContact O-N 3.2Å; I137-L140 PolarHBondContact O-N 3.17Å; R138-L140 VanDerWaalsContact C-N 3.34Å; R138-L140 PolarHBondContact O-N 3.08Å; L140-H142 PolarHBondContact O-N 2.87Å; L140-S143 PolarHBondContact O-N 3.37Å; L140-M144 WeakPolarHBondContact O-CE 3.47Å; L140-I154 HydrophobicContact CB-CD1 4.09Å; L140-I154 HydrophobicContact CD1-CD1 4.43Å; L140-L242 HydrophobicContact CD1-CD1 4.04Å; L140-L242 HydrophobicContact CD2-CD1 3.91Å; L140-T248 HydrophobicContact CD2-CG2 3.98Å; L140-T248 HydrophobicContact CG-CG2 4.44Å; L140-F252 HydrophobicContact CD2-CE1 4.09Å; L140-F252 HydrophobicContact CD2-CE2 4.41Å; L140-F252 HydrophobicContact CD2-CZ 3.92Å; L140-F342 HydrophobicContact CD2-CE1 3.91Å
141	I	88.9	Confident	86.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.3	-43.3	-175.5	-67.7	174.6	0	0	0	111.8	I137 R138 S143 M144 R149 I154 F178 Y181 L186	I137-I141 HydrophobicContact CG2-CD1 3.64Å; I137-I141 HydrophobicContact CG2-CG1 4.32Å; I137-I141 WeakPolarHBondContact O-CG1 3.31Å; I137-I141 PolarHBondContact O-N 3.45Å; R138-I141 PolarHBondContact O-N 2.94Å; I141-S143 VanDerWaalsContact C-N 3.28Å; I141-S143 PolarHBondContact O-N 3.39Å; I141-M144 PolarHBondContact O-N 2.96Å; I141-R149 PolarHBondContact O-NE 3.34Å; I141-R149 PolarHBondContact O-NH2 3.18Å; I141-I154 HydrophobicContact CG1-CD1 4.07Å; I141-F178 HydrophobicContact CD1-CD1 4.06Å; I141-F178 HydrophobicContact CD1-CE1 4.36Å; I141-Y181 HydrophobicContact CD1-CD1 4.43Å; I141-Y181 HydrophobicContact CD1-CD2 3.65Å; I141-Y181 HydrophobicContact CD1-CE2 4.04Å; I141-Y181 HydrophobicContact CD1-CG 3.85Å; I141-Y181 HydrophobicContact CG2-CD1 4.18Å; I141-Y181 HydrophobicContact CG2-CD2 4.4Å; I141-Y181 HydrophobicContact CG2-CE1 3.64Å; I141-Y181 HydrophobicContact CG2-CE2 3.88Å; I141-Y181 VanDerWaalsContact CG2-CZ 3.46Å; I141-L186 HydrophobicContact CD1-CD2 4.34Å; I141-L186 HydrophobicContact CG1-CD2 4.02Å; I141-L186 HydrophobicContact CG2-CD2 4.3Å
142	H	82.3	Confident	87.8	Confident	110 Å²	110	47.2 Å²	47.2	51%	0.509	22%	0.216	S	C	.	.	H	α-helix	trans	-80	-11.3	-176.7	-67.4	79.4	0	0	0	113.4	R138 L140 M144	R138-H142 WeakPolarHBondContact CG-ND1 3.3Å; R138-H142 WeakPolarHBondContact O-CB 2.89Å; R138-H142 PolarHBondContact O-N 3.46Å; R138-H142 PolarHBondContact O-ND1 3.23Å; L140-H142 PolarHBondContact O-N 2.87Å; H142-M144 VanDerWaalsContact C-N 3.31Å
143	S	79.4	Confident	88.5	Confident	10 Å²	10	46.1 Å²	46.1	7%	0.07	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	6.2	174.7	-59.1	0	0	0	0	113.3	S139 L140 I141 T248 K249 N251	S139-S143 WeakPolarHBondContact O-CB 3.2Å; S139-S143 PolarHBondContact O-N 3.14Å; S139-S143 VanDerWaalsContact O-N 3.13Å; S139-S143 PolarHBondContact O-OG 2.93Å; L140-S143 PolarHBondContact O-N 3.37Å; I141-S143 VanDerWaalsContact C-N 3.28Å; I141-S143 PolarHBondContact O-N 3.39Å; S143-T248 WeakPolarHBondContact OG-CG2 3.42Å; S143-K249 WeakPolarHBondContact CB-O 3.25Å; S143-N251 PolarHBondContact O-N 3.22Å
144	M	85	Confident	88.9	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.025	21%	0.212	C	C	.	.	S	Bend	trans	-119.8	144	174	-67.8	-178.7	-73.6	0	0	111.1	L140 I141 H142 E148 R149 V152 I154 F252 F253	L140-M144 WeakPolarHBondContact O-CE 3.47Å; I141-M144 PolarHBondContact O-N 2.96Å; H142-M144 VanDerWaalsContact C-N 3.31Å; M144-E148 WeakPolarHBondContact CA-OE2 3.37Å; M144-E148 HydrophobicContact CB-CB 4.13Å; M144-R149 HydrophobicContact CB-CG 4.16Å; M144-R149 HydrophobicContact CE-CG 4.43Å; M144-R149 PolarHBondContact O-NE 3.44Å; M144-R149 PolarHBondContact O-NH2 3.38Å; M144-R149 VanDerWaalsContact O-NH2 3.11Å; M144-V152 HydrophobicContact CE-CG1 4.31Å; M144-V152 HydrophobicContact SD-CB 4.07Å; M144-V152 HydrophobicContact SD-CG1 4.17Å; M144-V152 HydrophobicContact SD-CG2 3.72Å; M144-I154 HydrophobicContact CE-CD1 4.44Å; M144-F252 HydrophobicContact CE-CE1 4.31Å; M144-F252 HydrophobicContact CE-CZ 4.12Å; M144-F252 HydrophobicContact CG-CD1 4.31Å; M144-F252 HydrophobicContact CG-CE1 3.49Å; M144-F252 VanDerWaalsContact CG-CE1 3.49Å; M144-F252 HydrophobicContact CG-CZ 3.84Å; M144-F252 HydrophobicContact SD-CE1 3.96Å; M144-F252 HydrophobicContact SD-CZ 3.67Å; M144-F253 HydrophobicContact CG-CB 4.04Å; M144-F253 HydrophobicContact SD-CB 4.17Å
145	E	81.5	Confident	89.4	Confident	108 Å²	108	45.6 Å²	45.6	51%	0.505	21%	0.209	S	C	.	.			trans	-69.5	160.8	167	-62.5	-174	170.9	0	0	111.5	E147 E148 R149	E145-E147 VanDerWaalsContact C-N 3.34Å; E145-E147 PolarHBondContact O-N 2.84Å; E145-E148 HydrophobicContact CB-CG 4.17Å; E145-E148 PolarHBondContact N-OE2 2.82Å; E145-E148 WeakPolarHBondContact O-CB 3.37Å; E145-E148 PolarHBondContact O-N 3.47Å; E145-E148 VanDerWaalsContact O-N 3.1Å; E145-R149 WeakPolarHBondContact O-CG 3.42Å; E145-R149 PolarHBondContact O-N 3.46Å; E145-R149 VanDerWaalsContact O-N 3.15Å
146	E	85.9	Confident	90.3	Very high	137 Å²	137	40.9 Å²	40.9	64%	0.64	19%	0.187	S	C	*	.	H	α-helix	trans	-60.1	-41.8	-178.5	-169	177.8	155.7	0	0	112.7	E148 R149	E146-E148 VanDerWaalsContact C-N 3.31Å; E146-E148 PolarHBondContact O-N 3.13Å; E146-R149 WeakPolarHBondContact O-CB 3.35Å; E146-R149 PolarHBondContact O-N 3.32Å
147	E	87.2	Confident	90.9	Very high	108 Å²	108	40.9 Å²	40.9	51%	0.505	19%	0.187	S	C	.	.	H	α-helix	trans	-65.9	-32.7	175.6	-66.4	-55.2	133.9	0	0	112.3	E145 K150 H151	E145-E147 VanDerWaalsContact C-N 3.34Å; E145-E147 PolarHBondContact O-N 2.84Å; E147-K150 WeakPolarHBondContact O-CB 2.97Å; E147-K150 PolarHBondContact O-N 3.48Å; E147-K150 IonicContact OE1-NZ 3.38Å; E147-K150 PolarHBondContact OE1-NZ 3.31Å; E147-K150 WeakPolarHBondContact OE2-CD 3.09Å; E147-K150 WeakPolarHBondContact OE2-CE 3.3Å; E147-K150 IonicContact OE2-NZ 3.82Å; E147-K150 PolarHBondContact OE2-NZ 2.66Å; E147-H151 PolarHBondContact O-CD2 3.02Å
148	E	90.7	Very high	91.3	Very high	13 Å²	13	40.9 Å²	40.9	6%	0.061	19%	0.187	C	C	.	.	H	α-helix	trans	-67.3	-36.7	176.3	-68	-173.1	126.2	0	0	111.9	M144 E145 E146 K150 H151 F253 S254	M144-E148 WeakPolarHBondContact CA-OE2 3.37Å; M144-E148 HydrophobicContact CB-CB 4.13Å; E145-E148 HydrophobicContact CB-CG 4.17Å; E145-E148 PolarHBondContact N-OE2 2.82Å; E145-E148 WeakPolarHBondContact O-CB 3.37Å; E145-E148 PolarHBondContact O-N 3.47Å; E145-E148 VanDerWaalsContact O-N 3.1Å; E146-E148 VanDerWaalsContact C-N 3.31Å; E146-E148 PolarHBondContact O-N 3.13Å; E148-K150 PolarHBondContact O-N 3.28Å; E148-K150 VanDerWaalsContact O-N 3.17Å; E148-H151 PolarHBondContact O-N 3.45Å; E148-F253 HydrophobicContact CB-CD1 3.59Å; E148-F253 HydrophobicContact CB-CE1 4.06Å; E148-F253 HydrophobicContact CB-CG 4.44Å; E148-F253 HydrophobicContact CG-CD1 3.67Å; E148-F253 HydrophobicContact CG-CE1 4.22Å; E148-F253 WeakPolarHBondContact OE1-CD1 3.4Å; E148-S254 WeakPolarHBondContact OE1-CB 3.47Å; E148-S254 PolarHBondContact OE1-N 3.03Å; E148-S254 VanDerWaalsContact OE1-N 3.09Å; E148-S254 PolarHBondContact OE1-OG 3.4Å
149	R	94.4	Very high	91.7	Very high	51 Å²	51	36.4 Å²	36.4	19%	0.192	17%	0.17	C	C	.	.	H	α-helix	trans	-60.1	-26.5	176.3	-63.8	170.2	-164.4	163	6.9	112.1	R113 I141 M144 E145 E146 H151 V152 L186	R113-R149 PolarHBondContact NH1-O 3.25Å; R113-R149 PolarHBondContact NH2-O 2.95Å; I141-R149 PolarHBondContact O-NE 3.34Å; I141-R149 PolarHBondContact O-NH2 3.18Å; M144-R149 HydrophobicContact CB-CG 4.16Å; M144-R149 HydrophobicContact CE-CG 4.43Å; M144-R149 PolarHBondContact O-NE 3.44Å; M144-R149 PolarHBondContact O-NH2 3.38Å; M144-R149 VanDerWaalsContact O-NH2 3.11Å; E145-R149 WeakPolarHBondContact O-CG 3.42Å; E145-R149 PolarHBondContact O-N 3.46Å; E145-R149 VanDerWaalsContact O-N 3.15Å; E146-R149 WeakPolarHBondContact O-CB 3.35Å; E146-R149 PolarHBondContact O-N 3.32Å; R149-H151 PolarHBondContact O-N 3.41Å; R149-H151 VanDerWaalsContact O-N 3.17Å; R149-V152 PolarHBondContact O-N 2.83Å; R149-L186 HydrophobicContact CB-CD1 4.03Å; R149-L186 HydrophobicContact CB-CD2 4.07Å; R149-L186 HydrophobicContact CG-CD1 4.39Å; R149-L186 HydrophobicContact CG-CD2 3.89Å
150	K	95	Very high	92.3	Very high	112 Å²	112	37 Å²	37	49%	0.487	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-7.4	172.9	-59.9	-178.3	-169.9	163.2	0	113.8	R113 E147 E148	R113-K150 PolarHBondContact NH2-O 3.12Å; E147-K150 WeakPolarHBondContact O-CB 2.97Å; E147-K150 PolarHBondContact O-N 3.48Å; E147-K150 IonicContact OE1-NZ 3.38Å; E147-K150 PolarHBondContact OE1-NZ 3.31Å; E147-K150 WeakPolarHBondContact OE2-CD 3.09Å; E147-K150 WeakPolarHBondContact OE2-CE 3.3Å; E147-K150 IonicContact OE2-NZ 3.82Å; E147-K150 PolarHBondContact OE2-NZ 2.66Å; E148-K150 PolarHBondContact O-N 3.28Å; E148-K150 VanDerWaalsContact O-N 3.17Å
151	H	96.6	Very high	92.4	Very high	84 Å²	84	39.1 Å²	39.1	39%	0.389	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	4.3	178	-60.6	-64.7	0	0	0	114.4	Y117 L118 E147 E148 R149 F253	Y117-H151 WeakPolarHBondContact CB-O 3.49Å; Y117-H151 PolarHBondContact N-O 2.99Å; L118-H151 PolarHBondContact N-O 2.78Å; L118-H151 VanDerWaalsContact N-O 3.09Å; E147-H151 PolarHBondContact O-CD2 3.02Å; E148-H151 PolarHBondContact O-N 3.45Å; R149-H151 PolarHBondContact O-N 3.41Å; R149-H151 VanDerWaalsContact O-N 3.17Å; H151-F253 HydrophobicContact CB-CE1 4.02Å; H151-F253 HydrophobicContact CB-CZ 3.62Å
152	V	98	Very high	92.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143.1	-176.8	-179.7	0	0	0	0	111.1	R113 L118 I120 M144 R149 I154 L186 F253	R113-V152 PolarHBondContact NH1-O 3.31Å; L118-V152 HydrophobicContact CB-CG2 4.42Å; L118-V152 CarbonylContact O-C 3.51Å; L118-V152 WeakPolarHBondContact O-CA 3.45Å; I120-V152 HydrophobicContact CD1-CG1 3.84Å; I120-V152 HydrophobicContact CG1-CG1 4.24Å; M144-V152 HydrophobicContact CE-CG1 4.31Å; M144-V152 HydrophobicContact SD-CB 4.07Å; M144-V152 HydrophobicContact SD-CG1 4.17Å; M144-V152 HydrophobicContact SD-CG2 3.72Å; R149-V152 PolarHBondContact O-N 2.83Å; V152-I154 HydrophobicContact CG1-CG1 4.25Å; V152-L186 HydrophobicContact CB-CD1 4.29Å; V152-L186 HydrophobicContact CG1-CD1 4.48Å; V152-L186 WeakPolarHBondContact O-CD1 3.46Å; V152-F253 HydrophobicContact CG2-CD1 4.43Å; V152-F253 HydrophobicContact CG2-CD2 3.42Å; V152-F253 VanDerWaalsContact CG2-CD2 3.42Å; V152-F253 HydrophobicContact CG2-CE1 4.36Å; V152-F253 HydrophobicContact CG2-CE2 3.37Å; V152-F253 HydrophobicContact CG2-CG 3.97Å; V152-F253 HydrophobicContact CG2-CZ 3.86Å
153	L	98.4	Very high	93.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.2	166.9	-179.4	61.8	0	0	0	109.4	V116 L118 T119 I120 V155 G185 E188 R235	V116-L153 HydrophobicContact CB-CB 4.49Å; V116-L153 HydrophobicContact CG1-CB 4.21Å; V116-L153 HydrophobicContact CG2-CB 3.71Å; L118-L153 PolarHBondContact O-N 2.86Å; T119-L153 CarbonylContact C-O 3.54Å; T119-L153 VanDerWaalsContact CA-O 3.29Å; T119-L153 WeakPolarHBondContact CA-O 3.49Å; T119-L153 HydrophobicContact CG2-CB 4.36Å; T119-L153 HydrophobicContact CG2-CD2 4.33Å; T119-L153 HydrophobicContact CG2-CG 4.44Å; I120-L153 PolarHBondContact N-O 2.96Å; L153-V155 HydrophobicContact CD2-CG2 4.07Å; L153-V155 HydrophobicContact CG-CG2 4Å; L153-G185 VanDerWaalsContact CD1-O 3.28Å; L153-G185 WeakPolarHBondContact CD1-O 3.4Å; L153-E188 HydrophobicContact CD1-CG 3.75Å; L153-R235 HydrophobicContact CD2-CB 3.81Å; L153-R235 HydrophobicContact CD2-CG 4.02Å
154	I	98.6	Very high	94.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120.6	173.7	-57.1	172.6	0	0	0	107.7	I120 I122 L140 I141 M144 V152 V156 L186 L187 E188	I120-I154 HydrophobicContact CB-CG1 4.45Å; I120-I154 HydrophobicContact CD1-CG1 4.46Å; I122-I154 HydrophobicContact CD1-CG2 3.63Å; I122-I154 HydrophobicContact CG1-CG2 4.41Å; L140-I154 HydrophobicContact CB-CD1 4.09Å; L140-I154 HydrophobicContact CD1-CD1 4.43Å; I141-I154 HydrophobicContact CG1-CD1 4.07Å; M144-I154 HydrophobicContact CE-CD1 4.44Å; V152-I154 HydrophobicContact CG1-CG1 4.25Å; I154-V156 HydrophobicContact CG2-CG2 4.38Å; I154-L186 PolarHBondContact N-O 3.3Å; I154-L187 HydrophobicContact CB-CD1 3.89Å; I154-L187 HydrophobicContact CG2-CD1 3.71Å; I154-L187 CarbonylContact O-C 3.54Å; I154-L187 WeakPolarHBondContact O-CA 3.35Å; I154-E188 PolarHBondContact O-N 3.01Å
155	V	98.6	Very high	94.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.3	177.1	-179.3	0	0	0	0	108.8	T119 I120 G121 I122 L153 E188 L190 L228 Y231	T119-V155 HydrophobicContact CG2-CG2 3.82Å; I120-V155 PolarHBondContact O-N 3.03Å; G121-V155 WeakPolarHBondContact CA-O 3.38Å; I122-V155 PolarHBondContact N-O 3.27Å; L153-V155 HydrophobicContact CD2-CG2 4.07Å; L153-V155 HydrophobicContact CG-CG2 4Å; V155-E188 HydrophobicContact CG2-CB 4.41Å; V155-L190 HydrophobicContact CG1-CB 4.45Å; V155-L190 HydrophobicContact CG1-CD2 4.41Å; V155-L228 HydrophobicContact CB-CD1 4.1Å; V155-L228 HydrophobicContact CG1-CD1 3.66Å; V155-Y231 HydrophobicContact CB-CE1 4.47Å; V155-Y231 HydrophobicContact CG1-CD1 3.69Å; V155-Y231 HydrophobicContact CG1-CE1 3.6Å; V155-Y231 HydrophobicContact CG2-CD1 4.32Å; V155-Y231 HydrophobicContact CG2-CE1 4Å
156	V	98.6	Very high	95.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	113.4	176	179.2	0	0	0	0	109.1	I122 T124 L133 I137 I154 I158 L174 L187 E188 L189 L190	I122-V156 HydrophobicContact CB-CG2 4.46Å; I122-V156 CarbonylContact O-C 3.58Å; I122-V156 VanDerWaalsContact O-CA 3.29Å; I122-V156 WeakPolarHBondContact O-CA 3.34Å; T124-V156 HydrophobicContact CG2-CG1 3.94Å; L133-V156 HydrophobicContact CD1-CG1 3.98Å; L133-V156 HydrophobicContact CD1-CG2 4.44Å; L133-V156 HydrophobicContact CD2-CG1 4.13Å; I137-V156 HydrophobicContact CD1-CG2 3.82Å; I137-V156 HydrophobicContact CG1-CG2 4.36Å; I154-V156 HydrophobicContact CG2-CG2 4.38Å; V156-I158 HydrophobicContact CG1-CG1 4.3Å; V156-L174 HydrophobicContact CG1-CD1 4.44Å; V156-L187 HydrophobicContact CG2-CD1 3.74Å; V156-E188 PolarHBondContact N-O 2.92Å; V156-L189 HydrophobicContact CB-CD2 3.97Å; V156-L189 HydrophobicContact CG2-CD2 4.34Å; V156-L190 PolarHBondContact O-N 3Å
157	L	98.6	Very high	95.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	106.8	168.8	178.9	71.5	0	0	0	108.9	I122 P123 T124 A159 L190 P192 D224 Y227 L228	I122-L157 PolarHBondContact O-N 3.42Å; P123-L157 CarbonylContact C-O 3.35Å; P123-L157 WeakPolarHBondContact CA-O 3.5Å; T124-L157 PolarHBondContact N-O 2.79Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 HydrophobicContact CD2-CB 4.12Å; L157-A159 HydrophobicContact CG-CB 4.15Å; L157-A159 PolarHBondContact O-N 3.36Å; L157-A159 VanDerWaalsContact O-N 3.08Å; L157-L190 CarbonylContact C-O 3.43Å; L157-L190 WeakPolarHBondContact CA-O 3.17Å; L157-L190 HydrophobicContact CD1-CB 4.35Å; L157-L190 HydrophobicContact CD1-CD2 4.02Å; L157-L190 HydrophobicContact CD1-CG 4Å; L157-P192 HydrophobicContact CD1-CB 4.5Å; L157-P192 HydrophobicContact CD1-CG 4.07Å; L157-D224 HydrophobicContact CD2-CB 3.92Å; L157-D224 WeakPolarHBondContact CD2-O 3.07Å; L157-Y227 HydrophobicContact CD1-CD1 3.7Å; L157-Y227 HydrophobicContact CD1-CE1 4.14Å; L157-L228 HydrophobicContact CB-CB 4.4Å; L157-L228 HydrophobicContact CB-CD1 4.1Å; L157-L228 HydrophobicContact CB-CD2 4.33Å; L157-L228 HydrophobicContact CB-CG 4.5Å; L157-L228 HydrophobicContact CD2-CB 4.08Å
158	I	98.1	Very high	96.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	94.1	166.8	-53.3	166.8	0	0	0	106.2	T124 V156 E160 F166 A167 T170 I171 L190 V191 P192	T124-I158 HydrophobicContact CG2-CB 4.28Å; T124-I158 HydrophobicContact CG2-CG1 4Å; T124-I158 HydrophobicContact CG2-CG2 4.47Å; V156-I158 HydrophobicContact CG1-CG1 4.3Å; I158-E160 HydrophobicContact CG2-CG 4.14Å; I158-E160 PolarHBondContact O-N 3Å; I158-F166 HydrophobicContact CG2-CD1 4.48Å; I158-F166 HydrophobicContact CG2-CE1 4.2Å; I158-A167 HydrophobicContact CG2-CB 3.93Å; I158-T170 HydrophobicContact CD1-CG2 3.8Å; I158-T170 HydrophobicContact CG1-CG2 4.07Å; I158-I171 HydrophobicContact CD1-CD1 4.34Å; I158-I171 HydrophobicContact CD1-CG1 3.55Å; I158-L190 PolarHBondContact N-O 3.42Å; I158-V191 HydrophobicContact CB-CG2 4.19Å; I158-V191 HydrophobicContact CD1-CG2 4.31Å; I158-P192 WeakPolarHBondContact O-CD 3.11Å
159	A	96.8	Very high	96.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.197	C	C	.	.			trans	-79.5	53.9	-167.8	0	0	0	0	0	111.5	T124 V125 L157 K220 D224	T124-A159 PolarHBondContact O-N 3.13Å; V125-A159 HydrophobicContact CG1-CB 3.77Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 HydrophobicContact CD2-CB 4.12Å; L157-A159 HydrophobicContact CG-CB 4.15Å; L157-A159 PolarHBondContact O-N 3.36Å; L157-A159 VanDerWaalsContact O-N 3.08Å; A159-K220 VanDerWaalsContact O-CE 3.27Å; A159-K220 WeakPolarHBondContact O-CE 3.34Å; A159-K220 PolarHBondContact O-NZ 3.45Å; A159-D224 HydrophobicContact CB-CB 4.17Å
160	E	94.8	Very high	96.6	Very high	38 Å²	38	37 Å²	37	18%	0.178	19%	0.189	C	C	.	.	S	Bend	trans	-96.6	152.1	168.6	-66.5	-70.5	119.7	0	0	109.5	I158 G162 T164 F166 A167 P192	I158-E160 HydrophobicContact CG2-CG 4.14Å; I158-E160 PolarHBondContact O-N 3Å; E160-G162 VanDerWaalsContact C-N 3.31Å; E160-G162 PolarHBondContact O-N 3.47Å; E160-T164 HydrophobicContact CB-CG2 4.07Å; E160-T164 WeakPolarHBondContact CG-OG1 3.01Å; E160-T164 PolarHBondContact OE2-OG1 3.44Å; E160-T164 VanDerWaalsContact OE2-OG1 3.11Å; E160-F166 HydrophobicContact CG-CD1 3.62Å; E160-F166 HydrophobicContact CG-CE1 4.22Å; E160-A167 HydrophobicContact CB-CB 4.28Å; E160-A167 HydrophobicContact CG-CB 4.25Å; E160-P192 WeakPolarHBondContact O-CD 3.48Å; E160-P192 WeakPolarHBondContact O-CG 3.11Å
161	Q	93.1	Very high	96.7	Very high	46 Å²	46	32.4 Å²	32.4	22%	0.215	17%	0.17	C	C	.	.	S	Bend	trans	-78.9	82.4	176.2	-55.4	-171.7	11.9	0	0	109.9	K194 Y197	Q161-K194 HydrophobicContact CB-CG 4.34Å; Q161-Y197 HydrophobicContact CB-CD2 4.01Å; Q161-Y197 HydrophobicContact CB-CE2 4.14Å; Q161-Y197 HydrophobicContact CG-CD2 3.56Å; Q161-Y197 HydrophobicContact CG-CE2 3.72Å; Q161-Y197 HydrophobicContact CG-CG 3.98Å
162	G	94.3	Very high	96.8	Very high	9 Å²	9	30.1 Å²	30.1	9%	0.093	17%	0.168	C	C	.	.	S	Bend	trans	89.5	-175.4	-174.7	0	0	0	0	0	114.2	E160 T164 V191 P192	E160-G162 VanDerWaalsContact C-N 3.31Å; E160-G162 PolarHBondContact O-N 3.47Å; G162-T164 VanDerWaalsContact C-N 3.33Å; G162-T164 PolarHBondContact O-N 2.99Å; G162-V191 VanDerWaalsContact O-CG1 3.3Å; G162-V191 WeakPolarHBondContact O-CG1 3.12Å; G162-P192 WeakPolarHBondContact CA-O 3.4Å; G162-P192 PolarHBondContact N-O 3.28Å
163	L	95.3	Very high	96.7	Very high	95 Å²	95	34.1 Å²	34.1	50%	0.497	19%	0.187	S	C	.	.	S	Bend	trans	-78.7	76.9	-177.4	-170.3	63.3	0	0	0	111.3	A107 A167 S168 I171	A107-L163 HydrophobicContact CB-CD1 3.99Å; L163-A167 HydrophobicContact CD1-CB 4.24Å; L163-S168 WeakPolarHBondContact CD1-OG 3.39Å; L163-S168 WeakPolarHBondContact CG-OG 2.83Å; L163-I171 HydrophobicContact CD1-CD1 4.01Å
164	T	96.1	Very high	96.6	Very high	44 Å²	44	34.1 Å²	34.1	27%	0.27	19%	0.187	S	C	.	.			trans	-75.2	165.4	174.6	68.4	0	0	0	0	111.6	E160 G162 F166 A167 S168	E160-T164 HydrophobicContact CB-CG2 4.07Å; E160-T164 WeakPolarHBondContact CG-OG1 3.01Å; E160-T164 PolarHBondContact OE2-OG1 3.44Å; E160-T164 VanDerWaalsContact OE2-OG1 3.11Å; G162-T164 VanDerWaalsContact C-N 3.33Å; G162-T164 PolarHBondContact O-N 2.99Å; T164-F166 PolarHBondContact O-N 3.37Å; T164-A167 WeakPolarHBondContact O-CA 3.22Å; T164-A167 WeakPolarHBondContact O-CB 3.38Å; T164-A167 PolarHBondContact O-N 2.84Å; T164-A167 PolarHBondContact OG1-N 2.94Å; T164-S168 PolarHBondContact O-N 3.06Å; T164-S168 PolarHBondContact O-OG 3.09Å
165	N	95.7	Very high	96.6	Very high	131 Å²	131	38.4 Å²	38.4	70%	0.701	21%	0.207	S	C	*	.	H	α-helix	trans	-54.2	-42.2	174.3	-68.1	-3.5	0	0	0	111.9	A167 S168 E169	N165-A167 VanDerWaalsContact C-N 3.33Å; N165-A167 PolarHBondContact O-N 2.54Å; N165-S168 PolarHBondContact O-N 3.15Å; N165-E169 WeakPolarHBondContact O-CB 2.95Å; N165-E169 VanDerWaalsContact O-CG 3.24Å; N165-E169 WeakPolarHBondContact O-CG 3.32Å; N165-E169 PolarHBondContact O-N 3.28Å
166	F	94.8	Very high	96.5	Very high	28 Å²	28	47.5 Å²	47.5	12%	0.123	25%	0.247	C	C	.	.	H	α-helix	trans	-62	-40.5	175.5	171.6	-99.9	0	0	0	111.9	R126 I158 E160 T164 T170	R126-F166 HydrophobicContact CB-CD1 3.91Å; R126-F166 HydrophobicContact CB-CD2 3.91Å; R126-F166 HydrophobicContact CB-CE1 3.94Å; R126-F166 HydrophobicContact CB-CE2 3.92Å; R126-F166 HydrophobicContact CB-CG 3.9Å; R126-F166 HydrophobicContact CB-CZ 3.94Å; R126-F166 HydrophobicContact CG-CD2 3.73Å; R126-F166 HydrophobicContact CG-CE2 3.93Å; R126-F166 HydrophobicContact CG-CG 4.09Å; R126-F166 HydrophobicContact CG-CZ 4.45Å; I158-F166 HydrophobicContact CG2-CD1 4.48Å; I158-F166 HydrophobicContact CG2-CE1 4.2Å; E160-F166 HydrophobicContact CG-CD1 3.62Å; E160-F166 HydrophobicContact CG-CE1 4.22Å; T164-F166 PolarHBondContact O-N 3.37Å; F166-T170 VanDerWaalsContact O-CB 3.26Å; F166-T170 WeakPolarHBondContact O-CB 3.44Å; F166-T170 PolarHBondContact O-N 3.43Å; F166-T170 PolarHBondContact O-OG1 3.48Å
167	A	96.8	Very high	96.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-45.5	176.7	0	0	0	0	0	111.8	I158 E160 L163 T164 N165 T170 I171 V191	I158-A167 HydrophobicContact CG2-CB 3.93Å; E160-A167 HydrophobicContact CB-CB 4.28Å; E160-A167 HydrophobicContact CG-CB 4.25Å; L163-A167 HydrophobicContact CD1-CB 4.24Å; T164-A167 WeakPolarHBondContact O-CA 3.22Å; T164-A167 WeakPolarHBondContact O-CB 3.38Å; T164-A167 PolarHBondContact O-N 2.84Å; T164-A167 PolarHBondContact OG1-N 2.94Å; N165-A167 VanDerWaalsContact C-N 3.33Å; N165-A167 PolarHBondContact O-N 2.54Å; A167-T170 PolarHBondContact O-N 3.16Å; A167-I171 VanDerWaalsContact O-CG1 3.27Å; A167-I171 WeakPolarHBondContact O-CG1 3.49Å; A167-I171 PolarHBondContact O-N 2.96Å; A167-V191 HydrophobicContact CB-CG1 4.34Å; A167-V191 HydrophobicContact CB-CG2 4.32Å
168	S	97.4	Very high	96.1	Very high	54 Å²	54	50.7 Å²	50.7	38%	0.378	27%	0.266	S	S	.	.	H	α-helix	trans	-61.7	-45.5	176	-62.6	0	0	0	0	112.6	L163 T164 N165 I171 G172	L163-S168 WeakPolarHBondContact CD1-OG 3.39Å; L163-S168 WeakPolarHBondContact CG-OG 2.83Å; T164-S168 PolarHBondContact O-N 3.06Å; T164-S168 PolarHBondContact O-OG 3.09Å; N165-S168 PolarHBondContact O-N 3.15Å; S168-I171 PolarHBondContact O-N 3.21Å; S168-G172 PolarHBondContact O-N 3.34Å
169	E	96.4	Very high	96	Very high	131 Å²	131	51.8 Å²	51.8	61%	0.612	28%	0.277	S	S	*	.	H	α-helix	trans	-62	-43.2	176.3	-74.6	168.5	-167.9	0	0	111.7	N165 G172 Q173	N165-E169 WeakPolarHBondContact O-CB 2.95Å; N165-E169 VanDerWaalsContact O-CG 3.24Å; N165-E169 WeakPolarHBondContact O-CG 3.32Å; N165-E169 PolarHBondContact O-N 3.28Å; E169-G172 PolarHBondContact O-N 3.1Å; E169-Q173 WeakPolarHBondContact O-CB 2.91Å; E169-Q173 PolarHBondContact O-N 3.38Å
170	T	96.4	Very high	96	Very high	4 Å²	4	57.6 Å²	57.6	3%	0.025	30%	0.304	C	S	.	.	H	α-helix	trans	-64.4	-43.6	177.5	-59.1	0	0	0	0	111	L133 I158 F166 A167 Q173 L174	L133-T170 HydrophobicContact CD2-CG2 3.95Å; I158-T170 HydrophobicContact CD1-CG2 3.8Å; I158-T170 HydrophobicContact CG1-CG2 4.07Å; F166-T170 VanDerWaalsContact O-CB 3.26Å; F166-T170 WeakPolarHBondContact O-CB 3.44Å; F166-T170 PolarHBondContact O-N 3.43Å; F166-T170 PolarHBondContact O-OG1 3.48Å; A167-T170 PolarHBondContact O-N 3.16Å; T170-Q173 PolarHBondContact O-N 3.25Å; T170-L174 HydrophobicContact CG2-CD1 3.98Å; T170-L174 HydrophobicContact CG2-CG 4.39Å; T170-L174 WeakPolarHBondContact O-CB 3.44Å; T170-L174 VanDerWaalsContact O-CG 3.27Å; T170-L174 WeakPolarHBondContact O-CG 3.44Å; T170-L174 PolarHBondContact O-N 2.81Å
171	I	97.8	Very high	96.1	Very high	17 Å²	17	57.3 Å²	57.3	9%	0.087	30%	0.302	C	S	.	.	H	α-helix	trans	-58.3	-50	173.8	-70.8	167.1	0	0	0	110.3	A107 V109 I158 L163 A167 S168 Q173 L174 Q175 L189 V191	A107-I171 HydrophobicContact CB-CD1 4.02Å; V109-I171 HydrophobicContact CG2-CG2 4.03Å; I158-I171 HydrophobicContact CD1-CD1 4.34Å; I158-I171 HydrophobicContact CD1-CG1 3.55Å; L163-I171 HydrophobicContact CD1-CD1 4.01Å; A167-I171 VanDerWaalsContact O-CG1 3.27Å; A167-I171 WeakPolarHBondContact O-CG1 3.49Å; A167-I171 PolarHBondContact O-N 2.96Å; S168-I171 PolarHBondContact O-N 3.21Å; I171-Q173 VanDerWaalsContact C-N 3.34Å; I171-Q173 PolarHBondContact O-N 2.9Å; I171-L174 PolarHBondContact O-N 3.35Å; I171-Q175 HydrophobicContact CG2-CG 4.23Å; I171-Q175 WeakPolarHBondContact O-CB 3.31Å; I171-Q175 WeakPolarHBondContact O-CG 3.34Å; I171-Q175 PolarHBondContact O-N 3.32Å; I171-L189 HydrophobicContact CB-CD1 4.44Å; I171-L189 HydrophobicContact CG1-CD1 4.3Å; I171-L189 HydrophobicContact CG2-CD1 4.24Å; I171-V191 HydrophobicContact CD1-CG2 3.88Å
172	G	97.6	Very high	96.4	Very high	35 Å²	35	55.8 Å²	55.8	36%	0.361	30%	0.295	S	S	.	.	H	α-helix	trans	-60	-42.2	179.2	0	0	0	0	0	112.8	S168 E169 Q175 K176	S168-G172 PolarHBondContact O-N 3.34Å; E169-G172 PolarHBondContact O-N 3.1Å; G172-Q175 PolarHBondContact O-N 3.48Å; G172-K176 WeakPolarHBondContact O-CB 3.25Å; G172-K176 PolarHBondContact O-N 3.35Å
173	Q	96.4	Very high	96.5	Very high	84 Å²	84	64.1 Å²	64.1	39%	0.393	33%	0.329	S	S	.	.	H	α-helix	trans	-62.4	-45.8	176.4	-174.4	-178.6	38.2	0	0	111.8	N131 E169 T170 I171 K176 T177	N131-Q173 PolarHBondContact ND2-OE1 3.27Å; E169-Q173 WeakPolarHBondContact O-CB 2.91Å; E169-Q173 PolarHBondContact O-N 3.38Å; T170-Q173 PolarHBondContact O-N 3.25Å; I171-Q173 VanDerWaalsContact C-N 3.34Å; I171-Q173 PolarHBondContact O-N 2.9Å; Q173-K176 PolarHBondContact O-N 3.45Å; Q173-T177 WeakPolarHBondContact O-CB 3.31Å; Q173-T177 PolarHBondContact O-N 2.62Å; Q173-T177 PolarHBondContact O-OG1 3.32Å
174	L	96.9	Very high	96.4	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-70.8	-35.9	-179.8	-66.7	176.5	0	0	0	112	L133 V134 I137 V156 T170 I171 T177 F178 L189	L133-L174 HydrophobicContact CD2-CD1 3.87Å; L133-L174 HydrophobicContact CD2-CD2 4.29Å; L133-L174 HydrophobicContact CD2-CG 4.5Å; V134-L174 HydrophobicContact CG2-CD2 4.35Å; I137-L174 HydrophobicContact CD1-CD1 4.44Å; I137-L174 HydrophobicContact CD1-CD2 3.69Å; V156-L174 HydrophobicContact CG1-CD1 4.44Å; T170-L174 HydrophobicContact CG2-CD1 3.98Å; T170-L174 HydrophobicContact CG2-CG 4.39Å; T170-L174 WeakPolarHBondContact O-CB 3.44Å; T170-L174 VanDerWaalsContact O-CG 3.27Å; T170-L174 WeakPolarHBondContact O-CG 3.44Å; T170-L174 PolarHBondContact O-N 2.81Å; I171-L174 PolarHBondContact O-N 3.35Å; L174-T177 PolarHBondContact O-N 3.38Å; L174-F178 HydrophobicContact CD2-CD2 3.75Å; L174-F178 HydrophobicContact CD2-CE2 3.77Å; L174-F178 WeakPolarHBondContact O-CA 3.37Å; L174-F178 WeakPolarHBondContact O-CB 3.34Å; L174-F178 PolarHBondContact O-N 2.79Å; L174-L189 HydrophobicContact CB-CD1 3.94Å; L174-L189 HydrophobicContact CB-CD2 4.3Å; L174-L189 HydrophobicContact CD1-CD1 4.2Å; L174-L189 HydrophobicContact CD1-CD2 3.54Å
175	Q	97.4	Very high	96.5	Very high	91 Å²	91	62.1 Å²	62.1	43%	0.425	31%	0.314	S	S	.	.	H	α-helix	trans	-63.5	-42.7	172.5	-76.8	178.3	-36.6	0	0	112	I171 G172 G179 L182	I171-Q175 HydrophobicContact CG2-CG 4.23Å; I171-Q175 WeakPolarHBondContact O-CB 3.31Å; I171-Q175 WeakPolarHBondContact O-CG 3.34Å; I171-Q175 PolarHBondContact O-N 3.32Å; G172-Q175 PolarHBondContact O-N 3.48Å; Q175-G179 WeakPolarHBondContact O-CA 3.32Å; Q175-G179 PolarHBondContact O-N 3.25Å; Q175-L182 HydrophobicContact CB-CD1 4.31Å; Q175-L182 HydrophobicContact CG-CD1 3.78Å
176	K	96.6	Very high	96.6	Very high	191 Å²	191	56 Å²	56	83%	0.83	28%	0.281	S	S	*	.	H	α-helix	trans	-65.2	-39.8	176	-175.3	178.1	178.6	179.6	0	112.2	G172 Q173	G172-K176 WeakPolarHBondContact O-CB 3.25Å; G172-K176 PolarHBondContact O-N 3.35Å; Q173-K176 PolarHBondContact O-N 3.45Å
177	T	93.9	Very high	96.8	Very high	61 Å²	61	54.7 Å²	54.7	37%	0.374	28%	0.276	S	S	.	.	H	α-helix	trans	-86.9	-36.7	-172.4	-50.5	0	0	0	0	113.2	V134 Q173 L174	V134-T177 HydrophobicContact CG1-CG2 4.22Å; Q173-T177 WeakPolarHBondContact O-CB 3.31Å; Q173-T177 PolarHBondContact O-N 2.62Å; Q173-T177 PolarHBondContact O-OG1 3.32Å; L174-T177 PolarHBondContact O-N 3.38Å
178	F	95.5	Very high	96.8	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-125.5	22.7	-172.1	-56.2	-68.8	0	0	0	112.8	V134 I137 R138 I141 L174 Q180 Y181 L182 L187	V134-F178 HydrophobicContact CG1-CE2 4.2Å; V134-F178 HydrophobicContact CG1-CZ 4.11Å; I137-F178 HydrophobicContact CB-CE1 4.5Å; I137-F178 HydrophobicContact CB-CE2 3.95Å; I137-F178 HydrophobicContact CB-CZ 3.88Å; I137-F178 HydrophobicContact CD1-CE2 4.25Å; I137-F178 HydrophobicContact CG2-CD1 4.08Å; I137-F178 HydrophobicContact CG2-CD2 3.98Å; I137-F178 HydrophobicContact CG2-CE1 3.83Å; I137-F178 HydrophobicContact CG2-CE2 3.71Å; I137-F178 HydrophobicContact CG2-CG 4.15Å; I137-F178 HydrophobicContact CG2-CZ 3.63Å; R138-F178 HydrophobicContact CB-CE1 4.32Å; R138-F178 HydrophobicContact CB-CZ 4.26Å; I141-F178 HydrophobicContact CD1-CD1 4.06Å; I141-F178 HydrophobicContact CD1-CE1 4.36Å; L174-F178 HydrophobicContact CD2-CD2 3.75Å; L174-F178 HydrophobicContact CD2-CE2 3.77Å; L174-F178 WeakPolarHBondContact O-CA 3.37Å; L174-F178 WeakPolarHBondContact O-CB 3.34Å; L174-F178 PolarHBondContact O-N 2.79Å; F178-Q180 PolarHBondContact O-N 2.67Å; F178-Q180 VanDerWaalsContact O-N 3.13Å; F178-Y181 HydrophobicContact CB-CD2 4.12Å; F178-Y181 AromaticContact CD1-CD2 3.95Å; F178-Y181 HydrophobicContact CD1-CD2 3.95Å; F178-Y181 HydrophobicContact CD1-CE2 4.28Å; F178-Y181 PolarHBondContact O-N 2.99Å; F178-L182 PolarHBondContact O-N 2.82Å; F178-L187 HydrophobicContact CB-CD2 3.78Å; F178-L187 HydrophobicContact CD2-CD2 4.32Å; F178-L187 HydrophobicContact CG-CD2 4.25Å
179	G	96.7	Very high	96.9	Very high	23 Å²	23	52.1 Å²	52.1	24%	0.237	26%	0.258	C	S	.	.	H	α-helix	trans	-53	-35.5	-176.3	0	0	0	0	0	114.5	Q175 K183	Q175-G179 WeakPolarHBondContact O-CA 3.32Å; Q175-G179 PolarHBondContact O-N 3.25Å; G179-K183 WeakPolarHBondContact O-CG 3.26Å; G179-K183 PolarHBondContact O-N 3.07Å
180	Q	96.3	Very high	96.9	Very high	122 Å²	122	45.9 Å²	45.9	57%	0.57	23%	0.229	S	C	*	.	H	α-helix	trans	-60.3	-52	172.8	176.9	177.6	-0.5	0	0	111.7	F178 L182 K183 E184	F178-Q180 PolarHBondContact O-N 2.67Å; F178-Q180 VanDerWaalsContact O-N 3.13Å; Q180-L182 VanDerWaalsContact C-N 3.31Å; Q180-L182 PolarHBondContact O-N 3.32Å; Q180-K183 WeakPolarHBondContact O-CB 3.18Å; Q180-K183 PolarHBondContact O-N 3.12Å; Q180-K183 VanDerWaalsContact O-N 3.1Å; Q180-E184 HydrophobicContact CG-CG 4.45Å; Q180-E184 WeakPolarHBondContact CG-OE1 3.41Å; Q180-E184 PolarHBondContact NE2-OE1 2.94Å; Q180-E184 WeakPolarHBondContact O-CG 3.38Å; Q180-E184 PolarHBondContact O-N 3.03Å
181	Y	97.2	Very high	97	Very high	31 Å²	31	45.7 Å²	45.7	12%	0.122	23%	0.228	C	C	.	.	H	α-helix	trans	-68.9	-26.2	-177.4	-56.6	-63.7	0	0	0	113.8	I141 F178 G185 L186 L187	I141-Y181 HydrophobicContact CD1-CD1 4.43Å; I141-Y181 HydrophobicContact CD1-CD2 3.65Å; I141-Y181 HydrophobicContact CD1-CE2 4.04Å; I141-Y181 HydrophobicContact CD1-CG 3.85Å; I141-Y181 HydrophobicContact CG2-CD1 4.18Å; I141-Y181 HydrophobicContact CG2-CD2 4.4Å; I141-Y181 HydrophobicContact CG2-CE1 3.64Å; I141-Y181 HydrophobicContact CG2-CE2 3.88Å; I141-Y181 VanDerWaalsContact CG2-CZ 3.46Å; F178-Y181 HydrophobicContact CB-CD2 4.12Å; F178-Y181 AromaticContact CD1-CD2 3.95Å; F178-Y181 HydrophobicContact CD1-CD2 3.95Å; F178-Y181 HydrophobicContact CD1-CE2 4.28Å; F178-Y181 PolarHBondContact O-N 2.99Å; Y181-G185 PolarHBondContact O-N 2.95Å; Y181-L186 HydrophobicContact CD1-CD2 3.63Å; Y181-L186 HydrophobicContact CE1-CD2 4.32Å; Y181-L186 HydrophobicContact CG-CD2 4.18Å; Y181-L186 PolarHBondContact O-N 3.29Å; Y181-L187 PolarHBondContact O-N 3.32Å; Y181-L187 VanDerWaalsContact O-N 3.09Å
182	L	97.7	Very high	97	Very high	14 Å²	14	44.9 Å²	44.9	7%	0.073	22%	0.223	C	C	.	.	H	α-helix	trans	-67.1	-44.3	169.6	-70.6	165.7	0	0	0	111.1	V109 Q175 F178 Q180 G185 L187 L189	V109-L182 HydrophobicContact CG1-CD1 4.48Å; V109-L182 HydrophobicContact CG1-CD2 4.23Å; Q175-L182 HydrophobicContact CB-CD1 4.31Å; Q175-L182 HydrophobicContact CG-CD1 3.78Å; F178-L182 PolarHBondContact O-N 2.82Å; Q180-L182 VanDerWaalsContact C-N 3.31Å; Q180-L182 PolarHBondContact O-N 3.32Å; L182-G185 PolarHBondContact O-N 3.35Å; L182-L187 HydrophobicContact CD2-CB 3.92Å; L182-L187 HydrophobicContact CD2-CD2 3.91Å; L182-L187 HydrophobicContact CD2-CG 3.75Å; L182-L187 WeakPolarHBondContact CD2-O 3.22Å; L182-L187 HydrophobicContact CG-CB 4.33Å; L182-L187 HydrophobicContact CG-CD2 4.13Å; L182-L187 HydrophobicContact CG-CG 4.38Å; L182-L189 HydrophobicContact CD1-CD1 4.42Å; L182-L189 HydrophobicContact CD2-CD1 4.22Å; L182-L189 HydrophobicContact CD2-CD2 4.21Å; L182-L189 HydrophobicContact CD2-CG 3.81Å
183	K	96.4	Very high	96.9	Very high	184 Å²	184	44.1 Å²	44.1	80%	0.8	21%	0.213	S	C	*	.	H	α-helix	trans	-67.2	-39.3	178.2	-71.2	175.3	-178.5	-177.3	0	112.4	G179 Q180 G185	G179-K183 WeakPolarHBondContact O-CG 3.26Å; G179-K183 PolarHBondContact O-N 3.07Å; Q180-K183 WeakPolarHBondContact O-CB 3.18Å; Q180-K183 PolarHBondContact O-N 3.12Å; Q180-K183 VanDerWaalsContact O-N 3.1Å; K183-G185 PolarHBondContact O-N 3.01Å
184	E	95.2	Very high	96.8	Very high	97 Å²	97	47 Å²	47	45%	0.453	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-10.3	175.3	-70	170.6	-173.6	0	0	113.1	Q180 L186	Q180-E184 HydrophobicContact CG-CG 4.45Å; Q180-E184 WeakPolarHBondContact CG-OE1 3.41Å; Q180-E184 PolarHBondContact NE2-OE1 2.94Å; Q180-E184 WeakPolarHBondContact O-CG 3.38Å; Q180-E184 PolarHBondContact O-N 3.03Å; E184-L186 VanDerWaalsContact C-N 3.28Å; E184-L186 PolarHBondContact O-N 3.33Å
185	G	96.8	Very high	96.6	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.01	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	23.3	-175.5	0	0	0	0	0	113.4	R113 L153 Y181 L182 K183	R113-G185 WeakPolarHBondContact CD-O 3.32Å; R113-G185 PolarHBondContact NH1-O 2.91Å; L153-G185 VanDerWaalsContact CD1-O 3.28Å; L153-G185 WeakPolarHBondContact CD1-O 3.4Å; Y181-G185 PolarHBondContact O-N 2.95Å; L182-G185 PolarHBondContact O-N 3.35Å; K183-G185 PolarHBondContact O-N 3.01Å
186	L	97.8	Very high	96.5	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	23%	0.225	C	C	.	.	S	Bend	trans	-77.9	-34.4	168.7	175.9	62.2	0	0	0	111.2	I141 R149 V152 I154 Y181 E184	I141-L186 HydrophobicContact CD1-CD2 4.34Å; I141-L186 HydrophobicContact CG1-CD2 4.02Å; I141-L186 HydrophobicContact CG2-CD2 4.3Å; R149-L186 HydrophobicContact CB-CD1 4.03Å; R149-L186 HydrophobicContact CB-CD2 4.07Å; R149-L186 HydrophobicContact CG-CD1 4.39Å; R149-L186 HydrophobicContact CG-CD2 3.89Å; V152-L186 HydrophobicContact CB-CD1 4.29Å; V152-L186 HydrophobicContact CG1-CD1 4.48Å; V152-L186 WeakPolarHBondContact O-CD1 3.46Å; I154-L186 PolarHBondContact N-O 3.3Å; Y181-L186 HydrophobicContact CD1-CD2 3.63Å; Y181-L186 HydrophobicContact CE1-CD2 4.32Å; Y181-L186 HydrophobicContact CG-CD2 4.18Å; Y181-L186 PolarHBondContact O-N 3.29Å; E184-L186 VanDerWaalsContact C-N 3.28Å; E184-L186 PolarHBondContact O-N 3.33Å
187	L	98.4	Very high	96.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.2	-178.3	-174.7	63.6	0	0	0	110.4	I137 I154 V156 F178 Y181 L182 L189	I137-L187 HydrophobicContact CD1-CD1 4.49Å; I137-L187 HydrophobicContact CG2-CD2 4.35Å; I154-L187 HydrophobicContact CB-CD1 3.89Å; I154-L187 HydrophobicContact CG2-CD1 3.71Å; I154-L187 CarbonylContact O-C 3.54Å; I154-L187 WeakPolarHBondContact O-CA 3.35Å; V156-L187 HydrophobicContact CG2-CD1 3.74Å; F178-L187 HydrophobicContact CB-CD2 3.78Å; F178-L187 HydrophobicContact CD2-CD2 4.32Å; F178-L187 HydrophobicContact CG-CD2 4.25Å; Y181-L187 PolarHBondContact O-N 3.32Å; Y181-L187 VanDerWaalsContact O-N 3.09Å; L182-L187 HydrophobicContact CD2-CB 3.92Å; L182-L187 HydrophobicContact CD2-CD2 3.91Å; L182-L187 HydrophobicContact CD2-CG 3.75Å; L182-L187 WeakPolarHBondContact CD2-O 3.22Å; L182-L187 HydrophobicContact CG-CB 4.33Å; L182-L187 HydrophobicContact CG-CD2 4.13Å; L182-L187 HydrophobicContact CG-CG 4.38Å; L187-L189 HydrophobicContact CD2-CD2 4.3Å; L187-L189 HydrophobicContact CG-CD2 4.19Å
188	E	98.3	Very high	96.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	142.3	169.7	-66.1	-170.7	163.2	0	0	110.2	V109 S110 L153 I154 V155 V156 Y231 R235	V109-E188 WeakPolarHBondContact O-CA 3.35Å; S110-E188 PolarHBondContact OG-OE1 3.35Å; L153-E188 HydrophobicContact CD1-CG 3.75Å; I154-E188 PolarHBondContact O-N 3.01Å; V155-E188 HydrophobicContact CG2-CB 4.41Å; V156-E188 PolarHBondContact N-O 2.92Å; E188-Y231 WeakPolarHBondContact OE2-CE1 3.34Å; E188-Y231 PolarHBondContact OE2-OH 2.92Å; E188-R235 IonicContact OE2-CZ 3.27Å; E188-R235 IonicContact OE2-NE 2.72Å; E188-R235 PolarHBondContact OE2-NE 3.41Å; E188-R235 VanDerWaalsContact OE2-NE 3.11Å
189	L	98.5	Very high	96.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.6	176.4	-45.6	179.6	0	0	0	109.5	L108 V109 V156 I171 L174 L182 L187	L108-L189 WeakPolarHBondContact CA-O 3.45Å; V109-L189 HydrophobicContact CB-CB 4.04Å; V109-L189 HydrophobicContact CB-CD1 4.27Å; V109-L189 HydrophobicContact CB-CG 4.23Å; V109-L189 HydrophobicContact CG2-CB 4.41Å; V109-L189 HydrophobicContact CG2-CD1 4.39Å; V109-L189 PolarHBondContact N-O 3.22Å; V109-L189 PolarHBondContact O-N 3.3Å; V156-L189 HydrophobicContact CB-CD2 3.97Å; V156-L189 HydrophobicContact CG2-CD2 4.34Å; I171-L189 HydrophobicContact CB-CD1 4.44Å; I171-L189 HydrophobicContact CG1-CD1 4.3Å; I171-L189 HydrophobicContact CG2-CD1 4.24Å; L174-L189 HydrophobicContact CB-CD1 3.94Å; L174-L189 HydrophobicContact CB-CD2 4.3Å; L174-L189 HydrophobicContact CD1-CD1 4.2Å; L174-L189 HydrophobicContact CD1-CD2 3.54Å; L182-L189 HydrophobicContact CD1-CD1 4.42Å; L182-L189 HydrophobicContact CD2-CD1 4.22Å; L182-L189 HydrophobicContact CD2-CD2 4.21Å; L182-L189 HydrophobicContact CD2-CG 3.81Å; L187-L189 HydrophobicContact CD2-CD2 4.3Å; L187-L189 HydrophobicContact CG-CD2 4.19Å
190	L	97.8	Very high	96	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129.9	-174.1	-176.2	66.6	0	0	0	109.8	P105 L108 V155 V156 L157 I158 Y227 Y231	P105-L190 HydrophobicContact CB-CD1 3.53Å; P105-L190 HydrophobicContact CG-CD1 4.11Å; L108-L190 HydrophobicContact CD1-CD1 4.1Å; V155-L190 HydrophobicContact CG1-CB 4.45Å; V155-L190 HydrophobicContact CG1-CD2 4.41Å; V156-L190 PolarHBondContact O-N 3Å; L157-L190 CarbonylContact C-O 3.43Å; L157-L190 WeakPolarHBondContact CA-O 3.17Å; L157-L190 HydrophobicContact CD1-CB 4.35Å; L157-L190 HydrophobicContact CD1-CD2 4.02Å; L157-L190 HydrophobicContact CD1-CG 4Å; I158-L190 PolarHBondContact N-O 3.42Å; L190-Y227 HydrophobicContact CD1-CE1 4.17Å; L190-Y227 HydrophobicContact CD2-CD1 3.92Å; L190-Y227 HydrophobicContact CD2-CE1 3.62Å; L190-Y227 HydrophobicContact CG-CD1 4.49Å; L190-Y227 HydrophobicContact CG-CE1 3.85Å; L190-Y231 HydrophobicContact CD1-CD2 3.92Å; L190-Y231 HydrophobicContact CD1-CE2 3.71Å; L190-Y231 HydrophobicContact CD2-CD1 3.79Å; L190-Y231 HydrophobicContact CD2-CD2 3.68Å; L190-Y231 HydrophobicContact CD2-CE1 4.18Å; L190-Y231 HydrophobicContact CD2-CE2 4.1Å; L190-Y231 HydrophobicContact CD2-CG 3.5Å; L190-Y231 HydrophobicContact CG-CD2 4.48Å
191	V	98.2	Very high	95.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.3	171.6	-173.3	0	0	0	0	108.1	P105 A106 A107 I158 G162 A167 I171	P105-V191 CarbonylContact C-O 3.39Å; P105-V191 VanDerWaalsContact CA-O 3.22Å; P105-V191 WeakPolarHBondContact CA-O 3.35Å; P105-V191 VanDerWaalsContact CB-O 3.28Å; P105-V191 WeakPolarHBondContact CB-O 3.24Å; A106-V191 HydrophobicContact CB-CB 4.42Å; A106-V191 HydrophobicContact CB-CG1 4.16Å; A106-V191 PolarHBondContact N-O 2.6Å; A107-V191 HydrophobicContact CB-CB 4.07Å; A107-V191 HydrophobicContact CB-CG2 3.86Å; A107-V191 PolarHBondContact O-N 3.06Å; I158-V191 HydrophobicContact CB-CG2 4.19Å; I158-V191 HydrophobicContact CD1-CG2 4.31Å; G162-V191 VanDerWaalsContact O-CG1 3.3Å; G162-V191 WeakPolarHBondContact O-CG1 3.12Å; A167-V191 HydrophobicContact CB-CG1 4.34Å; A167-V191 HydrophobicContact CB-CG2 4.32Å; I171-V191 HydrophobicContact CD1-CG2 3.88Å
192	P	96.9	Very high	95.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.201	C	C	.	.			trans	-71	152.4	179.1	27	-25.5	0	0	0	111	L157 I158 E160 G162 Y196 Y197 Y227	L157-P192 HydrophobicContact CD1-CB 4.5Å; L157-P192 HydrophobicContact CD1-CG 4.07Å; I158-P192 WeakPolarHBondContact O-CD 3.11Å; E160-P192 WeakPolarHBondContact O-CD 3.48Å; E160-P192 WeakPolarHBondContact O-CG 3.11Å; G162-P192 WeakPolarHBondContact CA-O 3.4Å; G162-P192 PolarHBondContact N-O 3.28Å; P192-Y196 HydrophobicContact CB-CD1 4.36Å; P192-Y197 HydrophobicContact CB-CE2 4.14Å; P192-Y197 HydrophobicContact CG-CE2 3.85Å; P192-Y197 VanDerWaalsContact CG-OH 3.24Å; P192-Y197 WeakPolarHBondContact CG-OH 3.42Å; P192-Y227 HydrophobicContact CB-CD1 4.11Å; P192-Y227 HydrophobicContact CB-CD2 4.36Å; P192-Y227 HydrophobicContact CB-CE1 3.92Å; P192-Y227 HydrophobicContact CB-CE2 4.21Å; P192-Y227 HydrophobicContact CB-CG 4.31Å
193	S	95.5	Very high	94.9	Very high	19 Å²	19	45 Å²	45	13%	0.133	23%	0.231	C	C	.	.			trans	-63.8	149.7	169.6	174.8	0	0	0	0	110.5	N101 M104 E195 Y196	N101-S193 WeakPolarHBondContact O-CB 3.28Å; M104-S193 WeakPolarHBondContact O-CB 3.33Å; S193-E195 PolarHBondContact O-N 3.34Å; S193-E195 PolarHBondContact OG-N 2.92Å; S193-E195 VanDerWaalsContact OG-N 3.17Å; S193-Y196 WeakPolarHBondContact O-CB 3.39Å; S193-Y196 PolarHBondContact O-N 3.37Å; S193-Y196 VanDerWaalsContact O-N 3.13Å
194	K	94.2	Very high	94.4	Very high	144 Å²	144	37.2 Å²	37.2	63%	0.626	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-59.3	-36.1	170.4	-176.4	178.5	177.6	-176.7	0	111.4	Q161 Y196 Y197	Q161-K194 HydrophobicContact CB-CG 4.34Å; K194-Y196 PolarHBondContact O-N 2.91Å; K194-Y197 PolarHBondContact O-N 2.87Å
195	E	93.8	Very high	93.9	Very high	94 Å²	94	41.4 Å²	41.4	44%	0.439	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-67.2	-14.5	178.5	-66.5	178.2	-154.3	0	0	113.5	S99 N101 A102 S193 Y197	S99-E195 PolarHBondContact OG-OE2 2.73Å; N101-E195 WeakPolarHBondContact CB-OE2 3.47Å; A102-E195 HydrophobicContact CB-CB 3.99Å; A102-E195 WeakPolarHBondContact CB-O 3.43Å; S193-E195 PolarHBondContact O-N 3.34Å; S193-E195 PolarHBondContact OG-N 2.92Å; S193-E195 VanDerWaalsContact OG-N 3.17Å; E195-Y197 PolarHBondContact O-N 2.91Å
196	Y	94.9	Very high	93	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.016	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-64.7	-30.2	174.7	179.5	-113.6	0	0	0	112.5	H96 I97 A102 M103 P192 S193 K194 L223 Y227	H96-Y196 PolarHBondContact CD2-O 3.44Å; H96-Y196 PolarHBondContact NE2-O 3.37Å; H96-Y196 VanDerWaalsContact NE2-O 3.07Å; I97-Y196 HydrophobicContact CG2-CD2 3.73Å; I97-Y196 HydrophobicContact CG2-CE2 3.95Å; I97-Y196 WeakPolarHBondContact CG2-O 3.44Å; A102-Y196 WeakPolarHBondContact O-CB 3.44Å; M103-Y196 HydrophobicContact SD-CD2 3.98Å; M103-Y196 HydrophobicContact SD-CE2 3.96Å; P192-Y196 HydrophobicContact CB-CD1 4.36Å; S193-Y196 WeakPolarHBondContact O-CB 3.39Å; S193-Y196 PolarHBondContact O-N 3.37Å; S193-Y196 VanDerWaalsContact O-N 3.13Å; K194-Y196 PolarHBondContact O-N 2.91Å; Y196-L223 HydrophobicContact CE1-CB 3.91Å; Y196-L223 WeakPolarHBondContact CE1-O 3.38Å; Y196-L223 PolarHBondContact OH-O 2.85Å; Y196-Y227 AromaticContact CD1-CD2 3.79Å; Y196-Y227 HydrophobicContact CD1-CD2 3.79Å; Y196-Y227 HydrophobicContact CD1-CE2 4.5Å; Y196-Y227 HydrophobicContact CD1-CG 4.32Å; Y196-Y227 AromaticContact CD2-CD2 3.54Å; Y196-Y227 HydrophobicContact CD2-CD2 3.54Å; Y196-Y227 AromaticContact CD2-CE2 3.94Å; Y196-Y227 HydrophobicContact CD2-CE2 3.94Å; Y196-Y227 AromaticContact CE1-CD2 3.79Å; Y196-Y227 HydrophobicContact CE1-CD2 3.79Å; Y196-Y227 HydrophobicContact CE1-CG 4.09Å; Y196-Y227 AromaticContact CE2-CD2 3.57Å; Y196-Y227 HydrophobicContact CE2-CD2 3.57Å; Y196-Y227 HydrophobicContact CE2-CE2 4.37Å; Y196-Y227 HydrophobicContact CE2-CG 4.49Å; Y196-Y227 AromaticContact CG-CD2 3.67Å; Y196-Y227 HydrophobicContact CG-CD2 3.67Å; Y196-Y227 HydrophobicContact CG-CE2 4.03Å; Y196-Y227 AromaticContact CZ-CD2 3.7Å; Y196-Y227 PolarHBondContact OH-N 3.49Å
197	Y	94.6	Very high	92.4	Very high	8 Å²	8	44.8 Å²	44.8	3%	0.031	25%	0.246	C	C	.	.	S	Bend	trans	-90.7	144.4	-177	-61.2	-85.7	0	0	0	110.2	Q161 P192 K194 E195 I201 K220 L223 D224	Q161-Y197 HydrophobicContact CB-CD2 4.01Å; Q161-Y197 HydrophobicContact CB-CE2 4.14Å; Q161-Y197 HydrophobicContact CG-CD2 3.56Å; Q161-Y197 HydrophobicContact CG-CE2 3.72Å; Q161-Y197 HydrophobicContact CG-CG 3.98Å; P192-Y197 HydrophobicContact CB-CE2 4.14Å; P192-Y197 HydrophobicContact CG-CE2 3.85Å; P192-Y197 VanDerWaalsContact CG-OH 3.24Å; P192-Y197 WeakPolarHBondContact CG-OH 3.42Å; K194-Y197 PolarHBondContact O-N 2.87Å; E195-Y197 PolarHBondContact O-N 2.91Å; Y197-I201 HydrophobicContact CD1-CD1 3.81Å; Y197-I201 HydrophobicContact CG-CD1 4.38Å; Y197-K220 HydrophobicContact CD1-CG 4.28Å; Y197-K220 HydrophobicContact CE1-CG 3.82Å; Y197-L223 HydrophobicContact CD1-CB 4.36Å; Y197-L223 HydrophobicContact CD1-CD1 3.97Å; Y197-L223 HydrophobicContact CE1-CB 4.27Å; Y197-D224 VanDerWaalsContact CE1-OD1 3.3Å; Y197-D224 WeakPolarHBondContact CE1-OD1 3.37Å; Y197-D224 PolarHBondContact OH-OD1 3.39Å
198	P	93	Very high	91.8	Very high	2 Å²	2	51 Å²	51	1%	0.013	27%	0.27	C	S	.	.			trans	-68.1	141.2	-179.2	28.5	-34.3	0	0	0	110.3	D200 I201 L223 Y299	P198-D200 VanDerWaalsContact CB-OD1 3.31Å; P198-D200 WeakPolarHBondContact CB-OD1 3.48Å; P198-D200 PolarHBondContact O-N 3.13Å; P198-D200 VanDerWaalsContact O-N 3.12Å; P198-I201 HydrophobicContact CG-CB 4.1Å; P198-I201 VanDerWaalsContact O-CB 3.3Å; P198-I201 WeakPolarHBondContact O-CB 3.48Å; P198-I201 WeakPolarHBondContact O-CG2 3.5Å; P198-I201 PolarHBondContact O-N 3.33Å; P198-L223 VanDerWaalsContact CD-CD1 3.43Å; P198-L223 HydrophobicContact CG-CD1 4.1Å; P198-Y299 HydrophobicContact CG-CE2 4.38Å
199	P	91.5	Very high	91.2	Very high	124 Å²	124	54.7 Å²	54.7	81%	0.805	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.1	-178.7	-27	34.4	0	0	0	114.6	I201	P199-I201 VanDerWaalsContact C-N 3.33Å
200	D	92.1	Very high	90.6	Very high	52 Å²	52	56.1 Å²	56.1	28%	0.278	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	4.8	179.8	64.4	-16.2	0	0	0	113.4	P198 D202 T203 M204 R300	P198-D200 VanDerWaalsContact CB-OD1 3.31Å; P198-D200 WeakPolarHBondContact CB-OD1 3.48Å; P198-D200 PolarHBondContact O-N 3.13Å; P198-D200 VanDerWaalsContact O-N 3.12Å; D200-D202 PolarHBondContact O-N 2.91Å; D200-T203 CarbonylContact O-C 3.51Å; D200-T203 PolarHBondContact O-N 3.3Å; D200-T203 PolarHBondContact O-OG1 3.47Å; D200-M204 HydrophobicContact CB-CG 4.35Å; D200-M204 VanDerWaalsContact O-CG 3.26Å; D200-M204 WeakPolarHBondContact O-CG 3.28Å; D200-M204 PolarHBondContact O-N 2.9Å; D200-R300 VanDerWaalsContact CG-NH2 3.32Å; D200-R300 IonicContact OD1-CZ 3.77Å; D200-R300 IonicContact OD1-NH2 2.86Å; D200-R300 PolarHBondContact OD1-NH2 2.88Å; D200-R300 IonicContact OD2-CZ 3.14Å; D200-R300 IonicContact OD2-NH1 3.96Å; D200-R300 PolarHBondContact OD2-NH1 3.38Å; D200-R300 VanDerWaalsContact OD2-NH1 3.14Å; D200-R300 IonicContact OD2-NH2 3.36Å; D200-R300 PolarHBondContact OD2-NH2 2.85Å
201	I	91.6	Very high	90.2	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.021	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-30.9	-170.8	-165.6	168.8	0	0	0	114.5	Y197 P198 P199 M204 R216 K220 L223	Y197-I201 HydrophobicContact CD1-CD1 3.81Å; Y197-I201 HydrophobicContact CG-CD1 4.38Å; P198-I201 HydrophobicContact CG-CB 4.1Å; P198-I201 VanDerWaalsContact O-CB 3.3Å; P198-I201 WeakPolarHBondContact O-CB 3.48Å; P198-I201 WeakPolarHBondContact O-CG2 3.5Å; P198-I201 PolarHBondContact O-N 3.33Å; P199-I201 VanDerWaalsContact C-N 3.33Å; I201-M204 HydrophobicContact CB-CE 4.38Å; I201-M204 HydrophobicContact CG1-CE 3.92Å; I201-M204 WeakPolarHBondContact O-CE 3.37Å; I201-R216 HydrophobicContact CG1-CG 4.47Å; I201-K220 HydrophobicContact CD1-CB 4.01Å; I201-K220 HydrophobicContact CD1-CG 4.14Å; I201-L223 HydrophobicContact CD1-CD1 4.11Å
202	D	88.7	Confident	89.8	Confident	95 Å²	95	64.6 Å²	64.6	51%	0.508	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-16.6	-179.9	-61.9	-42.8	0	0	0	113.2	D200 R216	D200-D202 PolarHBondContact O-N 2.91Å; D202-R216 WeakPolarHBondContact OD1-CD 3.4Å; D202-R216 IonicContact OD1-CZ 3.75Å; D202-R216 IonicContact OD1-NE 3.31Å; D202-R216 PolarHBondContact OD1-NE 3.23Å; D202-R216 IonicContact OD1-NH2 3.39Å; D202-R216 PolarHBondContact OD1-NH2 3.26Å
203	T	88.9	Confident	89.5	Confident	114 Å²	114	69.6 Å²	69.6	70%	0.699	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	3.2	-173.5	59.3	0	0	0	0	113.9	D200	D200-T203 CarbonylContact O-C 3.51Å; D200-T203 PolarHBondContact O-N 3.3Å; D200-T203 PolarHBondContact O-OG1 3.47Å
204	M	86	Confident	89.2	Confident	20 Å²	20	72.7 Å²	72.7	10%	0.099	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-60.7	138.9	-179.4	-69.2	177.2	-53.6	0	0	111.8	D200 I201 G206 T219 R300	D200-M204 HydrophobicContact CB-CG 4.35Å; D200-M204 VanDerWaalsContact O-CG 3.26Å; D200-M204 WeakPolarHBondContact O-CG 3.28Å; D200-M204 PolarHBondContact O-N 2.9Å; I201-M204 HydrophobicContact CB-CE 4.38Å; I201-M204 HydrophobicContact CG1-CE 3.92Å; I201-M204 WeakPolarHBondContact O-CE 3.37Å; M204-G206 PolarHBondContact O-N 2.81Å; M204-T219 HydrophobicContact CE-CG2 3.29Å; M204-T219 HydrophobicContact SD-CG2 3.93Å; M204-R300 HydrophobicContact SD-CG 3.99Å
205	E	83.7	Confident	89.1	Confident	185 Å²	185	66 Å²	66	86%	0.864	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-63.7	134.6	172.2	-66.2	-172.6	169.1	0	0	111.1
206	G	78.6	Confident	89.1	Confident	41 Å²	41	65.9 Å²	65.9	42%	0.423	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-82.5	147.9	177	0	0	0	0	0	112.2	M204 T215	M204-G206 PolarHBondContact O-N 2.81Å; G206-T215 VanDerWaalsContact CA-OG1 3.27Å; G206-T215 WeakPolarHBondContact CA-OG1 3.32Å
207	T	85.8	Confident	88.9	Confident	33 Å²	33	67.9 Å²	67.9	20%	0.202	38%	0.377	C	S	.	.	S	Bend	trans	-88.2	161.3	160	55.2	0	0	0	0	109.9	G209 D210 R218 D301	T207-G209 PolarHBondContact O-N 3.33Å; T207-G209 VanDerWaalsContact O-N 3.11Å; T207-D210 PolarHBondContact O-N 2.88Å; T207-R218 PolarHBondContact OG1-NH2 3.09Å; T207-D301 HydrophobicContact CG2-CB 4.39Å; T207-D301 PolarHBondContact OG1-O 2.8Å
208	Y	85.5	Confident	88.9	Confident	132 Å²	132	67.6 Å²	67.6	52%	0.518	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	13.6	174.1	-43.8	-57.9	0	0	0	116.8	D210 D301 K302 W306	Y208-D210 PolarHBondContact O-N 3.17Å; Y208-D301 WeakPolarHBondContact CE2-O 3.47Å; Y208-K302 HydrophobicContact CE2-CG 4.05Å; Y208-K302 VanDerWaalsContact OH-CE 3.26Å; Y208-K302 WeakPolarHBondContact OH-CE 3.28Å; Y208-K302 WeakPolarHBondContact OH-CG 3.04Å; Y208-K302 PolarHBondContact OH-NZ 2.9Å; Y208-W306 HydrophobicContact CE2-CZ3 4.27Å
209	G	85.1	Confident	88.9	Confident	76 Å²	76	67.5 Å²	67.5	78%	0.784	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	20.7	-175.1	0	0	0	0	0	113.3	T207	T207-G209 PolarHBondContact O-N 3.33Å; T207-G209 VanDerWaalsContact O-N 3.11Å
210	D	86.1	Confident	89.1	Confident	32 Å²	32	62.5 Å²	62.5	17%	0.171	34%	0.341	C	S	.	.			trans	-61.2	138.4	173.9	-83.2	-19.6	0	0	0	110.2	T207 Y208 R214 R218	T207-D210 PolarHBondContact O-N 2.88Å; Y208-D210 PolarHBondContact O-N 3.17Å; D210-R214 HydrophobicContact CB-CB 4.34Å; D210-R214 HydrophobicContact CB-CG 4.21Å; D210-R214 VanDerWaalsContact CG-CD 3.46Å; D210-R214 VanDerWaalsContact CG-NE 3.28Å; D210-R214 WeakPolarHBondContact OD1-CD 3.42Å; D210-R214 IonicContact OD1-CZ 3.97Å; D210-R214 IonicContact OD1-NE 2.73Å; D210-R214 PolarHBondContact OD1-NE 2.82Å; D210-R214 IonicContact OD2-NE 3.11Å; D210-R214 PolarHBondContact OD2-NE 3.23Å; D210-R218 IonicContact OD2-NE 2.94Å; D210-R218 PolarHBondContact OD2-NE 2.95Å; D210-R218 VanDerWaalsContact OD2-NE 3.13Å
211	P	89.4	Confident	89.3	Confident	77 Å²	77	61.3 Å²	61.3	50%	0.5	33%	0.333	S	S	.	.			trans	-62	153	173.7	25.8	-33.7	0	0	0	110.9	E213 R214 T215	P211-E213 PolarHBondContact O-N 3.29Å; P211-E213 VanDerWaalsContact O-N 3.11Å; P211-R214 HydrophobicContact CG-CB 3.84Å; P211-R214 WeakPolarHBondContact O-CB 3.31Å; P211-R214 PolarHBondContact O-N 2.66Å; P211-T215 PolarHBondContact O-N 3.13Å
212	P	89.6	Confident	89.5	Confident	100 Å²	100	61.1 Å²	61.1	65%	0.649	33%	0.332	S	S	*	.	H	α-helix	trans	-51.7	-40	-176.4	-29.3	35.1	0	0	0	114.1	R214 T215 R216	P212-R214 VanDerWaalsContact C-N 3.34Å; P212-R214 PolarHBondContact O-N 2.91Å; P212-T215 PolarHBondContact O-N 3.01Å; P212-R216 WeakPolarHBondContact O-CB 3.43Å; P212-R216 PolarHBondContact O-N 3Å
213	E	90.2	Very high	89.9	Confident	106 Å²	106	56.6 Å²	56.6	50%	0.495	31%	0.308	S	S	.	.	H	α-helix	trans	-60.2	-42.5	177.3	-172.6	-177.2	-179.1	0	0	112.2	P211 W217 L351	P211-E213 PolarHBondContact O-N 3.29Å; P211-E213 VanDerWaalsContact O-N 3.11Å; E213-W217 WeakPolarHBondContact O-CB 3.26Å; E213-W217 PolarHBondContact O-N 3.17Å; E213-L351 HydrophobicContact CG-CD1 3.81Å
214	R	89.7	Confident	90.3	Very high	84 Å²	84	51.5 Å²	51.5	32%	0.317	28%	0.277	S	S	.	.	H	α-helix	trans	-71	-41.3	179.4	178.5	176.5	169	107.3	-1	111.3	D210 P211 P212 W217 R218 L351	D210-R214 HydrophobicContact CB-CB 4.34Å; D210-R214 HydrophobicContact CB-CG 4.21Å; D210-R214 VanDerWaalsContact CG-CD 3.46Å; D210-R214 VanDerWaalsContact CG-NE 3.28Å; D210-R214 WeakPolarHBondContact OD1-CD 3.42Å; D210-R214 IonicContact OD1-CZ 3.97Å; D210-R214 IonicContact OD1-NE 2.73Å; D210-R214 PolarHBondContact OD1-NE 2.82Å; D210-R214 IonicContact OD2-NE 3.11Å; D210-R214 PolarHBondContact OD2-NE 3.23Å; P211-R214 HydrophobicContact CG-CB 3.84Å; P211-R214 WeakPolarHBondContact O-CB 3.31Å; P211-R214 PolarHBondContact O-N 2.66Å; P212-R214 VanDerWaalsContact C-N 3.34Å; P212-R214 PolarHBondContact O-N 2.91Å; R214-W217 PolarHBondContact O-N 3.23Å; R214-R218 WeakPolarHBondContact O-CG 3.22Å; R214-R218 PolarHBondContact O-N 3.17Å; R214-L351 HydrophobicContact CB-CD2 4.46Å; R214-L351 HydrophobicContact CG-CD2 4.43Å
215	T	92.2	Very high	90.8	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-58.2	-53.7	174.6	-67.2	0	0	0	0	110.6	G206 P211 P212 W217 R218 T219	G206-T215 VanDerWaalsContact CA-OG1 3.27Å; G206-T215 WeakPolarHBondContact CA-OG1 3.32Å; P211-T215 PolarHBondContact O-N 3.13Å; P212-T215 PolarHBondContact O-N 3.01Å; T215-W217 VanDerWaalsContact C-N 3.32Å; T215-W217 PolarHBondContact O-N 2.89Å; T215-R218 WeakPolarHBondContact O-CG 3.48Å; T215-R218 PolarHBondContact O-N 3.31Å; T215-T219 WeakPolarHBondContact O-CB 3.18Å; T215-T219 PolarHBondContact O-N 2.88Å; T215-T219 PolarHBondContact O-OG1 3.42Å
216	R	93.2	Very high	91.4	Very high	92 Å²	92	42.2 Å²	42.2	35%	0.347	23%	0.233	S	C	.	.	H	α-helix	trans	-54	-49	174.4	-179	-167.1	-177.4	-93.7	-0.4	111.6	I201 D202 P212 T219 K220	I201-R216 HydrophobicContact CG1-CG 4.47Å; D202-R216 WeakPolarHBondContact OD1-CD 3.4Å; D202-R216 IonicContact OD1-CZ 3.75Å; D202-R216 IonicContact OD1-NE 3.31Å; D202-R216 PolarHBondContact OD1-NE 3.23Å; D202-R216 IonicContact OD1-NH2 3.39Å; D202-R216 PolarHBondContact OD1-NH2 3.26Å; P212-R216 WeakPolarHBondContact O-CB 3.43Å; P212-R216 PolarHBondContact O-N 3Å; R216-T219 PolarHBondContact O-N 3.26Å; R216-K220 WeakPolarHBondContact O-CB 3.42Å; R216-K220 PolarHBondContact O-N 3.05Å
217	W	92.4	Very high	92.3	Very high	46 Å²	46	40.6 Å²	40.6	17%	0.174	21%	0.214	C	C	.	.	H	α-helix	trans	-58.7	-51.1	-178.1	176.6	88.1	0	0	0	112.3	E213 R214 T215 K220 Q221 S350 L351	E213-W217 WeakPolarHBondContact O-CB 3.26Å; E213-W217 PolarHBondContact O-N 3.17Å; R214-W217 PolarHBondContact O-N 3.23Å; T215-W217 VanDerWaalsContact C-N 3.32Å; T215-W217 PolarHBondContact O-N 2.89Å; W217-K220 PolarHBondContact O-N 3.11Å; W217-Q221 WeakPolarHBondContact O-CB 3.22Å; W217-Q221 PolarHBondContact O-N 3.21Å; W217-S350 PolarHBondContact NE1-OG 3.22Å; W217-L351 HydrophobicContact CB-CD1 4.01Å; W217-L351 HydrophobicContact CD2-CB 4.1Å; W217-L351 HydrophobicContact CG-CB 4.09Å; W217-L351 HydrophobicContact CG-CD1 4.06Å
218	R	93	Very high	92.8	Very high	3 Å²	3	39 Å²	39	1%	0.011	21%	0.205	C	C	.	.	H	α-helix	trans	-69.6	-35.6	-178.4	68.6	-178.5	176.3	64.3	8.6	112.3	T207 D210 R214 T215 Q221 N222 R300 D301 P303	T207-R218 PolarHBondContact OG1-NH2 3.09Å; D210-R218 IonicContact OD2-NE 2.94Å; D210-R218 PolarHBondContact OD2-NE 2.95Å; D210-R218 VanDerWaalsContact OD2-NE 3.13Å; R214-R218 WeakPolarHBondContact O-CG 3.22Å; R214-R218 PolarHBondContact O-N 3.17Å; T215-R218 WeakPolarHBondContact O-CG 3.48Å; T215-R218 PolarHBondContact O-N 3.31Å; R218-Q221 PolarHBondContact O-N 3.32Å; R218-N222 PolarHBondContact O-N 3.39Å; R218-N222 VanDerWaalsContact O-N 3.14Å; R218-N222 PolarHBondContact O-ND2 3.33Å; R218-R300 PolarHBondContact NH1-O 2.56Å; R218-R300 PolarHBondContact NH2-O 3.35Å; R218-R300 VanDerWaalsContact NH2-O 3.13Å; R218-D301 VanDerWaalsContact NH1-C 3.3Å; R218-D301 PolarHBondContact NH1-O 3.34Å; R218-P303 HydrophobicContact CB-CB 4.3Å
219	T	94.5	Very high	93.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-70.2	-42.2	178.1	-60.2	0	0	0	0	111.3	M204 T215 R216 Q221 N222 L223 Y299 R300	M204-T219 HydrophobicContact CE-CG2 3.29Å; M204-T219 HydrophobicContact SD-CG2 3.93Å; T215-T219 WeakPolarHBondContact O-CB 3.18Å; T215-T219 PolarHBondContact O-N 2.88Å; T215-T219 PolarHBondContact O-OG1 3.42Å; R216-T219 PolarHBondContact O-N 3.26Å; T219-Q221 VanDerWaalsContact C-N 3.33Å; T219-Q221 PolarHBondContact O-N 2.93Å; T219-N222 WeakPolarHBondContact O-CB 3.23Å; T219-N222 PolarHBondContact O-N 2.84Å; T219-L223 WeakPolarHBondContact O-CG 3.39Å; T219-L223 PolarHBondContact O-N 3.36Å; T219-Y299 HydrophobicContact CG2-CD2 3.39Å; T219-Y299 HydrophobicContact CG2-CE2 3.59Å; T219-Y299 HydrophobicContact CG2-CG 4.49Å; T219-Y299 PolarHBondContact OG1-O 2.79Å; T219-R300 HydrophobicContact CG2-CG 4.27Å
220	K	95.4	Very high	93.9	Very high	19 Å²	19	30.9 Å²	30.9	8%	0.083	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-43.8	173	-169.9	-172.9	168	-65.1	0	111.4	A159 Y197 I201 R216 W217 N222 L223 D224	A159-K220 VanDerWaalsContact O-CE 3.27Å; A159-K220 WeakPolarHBondContact O-CE 3.34Å; A159-K220 PolarHBondContact O-NZ 3.45Å; Y197-K220 HydrophobicContact CD1-CG 4.28Å; Y197-K220 HydrophobicContact CE1-CG 3.82Å; I201-K220 HydrophobicContact CD1-CB 4.01Å; I201-K220 HydrophobicContact CD1-CG 4.14Å; R216-K220 WeakPolarHBondContact O-CB 3.42Å; R216-K220 PolarHBondContact O-N 3.05Å; W217-K220 PolarHBondContact O-N 3.11Å; K220-N222 VanDerWaalsContact C-N 3.33Å; K220-N222 PolarHBondContact O-N 3.19Å; K220-L223 WeakPolarHBondContact O-CB 3.27Å; K220-L223 PolarHBondContact O-N 2.69Å; K220-L223 VanDerWaalsContact O-N 3.13Å; K220-D224 VanDerWaalsContact NZ-CG 3.32Å; K220-D224 IonicContact NZ-OD1 3.33Å; K220-D224 PolarHBondContact NZ-OD1 2.82Å; K220-D224 VanDerWaalsContact NZ-OD1 3.17Å; K220-D224 IonicContact NZ-OD2 3.25Å; K220-D224 PolarHBondContact NZ-OD2 2.72Å; K220-D224 PolarHBondContact O-N 2.92Å
221	Q	95.5	Very high	94.3	Very high	26 Å²	26	30.9 Å²	30.9	12%	0.121	15%	0.153	C	C	.	.	H	α-helix	trans	-58.6	-42.9	177.6	-172.9	-177.9	48.1	0	0	112.4	W217 R218 T219 L223 D224 Y225	W217-Q221 WeakPolarHBondContact O-CB 3.22Å; W217-Q221 PolarHBondContact O-N 3.21Å; R218-Q221 PolarHBondContact O-N 3.32Å; T219-Q221 VanDerWaalsContact C-N 3.33Å; T219-Q221 PolarHBondContact O-N 2.93Å; Q221-L223 VanDerWaalsContact C-N 3.34Å; Q221-L223 PolarHBondContact O-N 3.36Å; Q221-D224 PolarHBondContact O-N 2.62Å; Q221-Y225 HydrophobicContact CG-CD1 4.13Å; Q221-Y225 HydrophobicContact CG-CE1 3.76Å; Q221-Y225 PolarHBondContact NE2-OH 3.08Å; Q221-Y225 WeakPolarHBondContact O-CD1 3.49Å; Q221-Y225 PolarHBondContact O-N 3.48Å
222	N	96.5	Very high	94.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-57.5	-47.4	174.6	-76.9	-35	0	0	0	111.6	R218 T219 K220 Y225 M226 I295 Y299 K302 V304	R218-N222 PolarHBondContact O-N 3.39Å; R218-N222 VanDerWaalsContact O-N 3.14Å; R218-N222 PolarHBondContact O-ND2 3.33Å; T219-N222 WeakPolarHBondContact O-CB 3.23Å; T219-N222 PolarHBondContact O-N 2.84Å; K220-N222 VanDerWaalsContact C-N 3.33Å; K220-N222 PolarHBondContact O-N 3.19Å; N222-Y225 PolarHBondContact O-N 2.95Å; N222-M226 VanDerWaalsContact O-CG 3.23Å; N222-M226 WeakPolarHBondContact O-CG 3.31Å; N222-M226 PolarHBondContact O-N 2.86Å; N222-I295 HydrophobicContact CB-CG2 3.91Å; N222-Y299 PolarHBondContact ND2-O 2.61Å; N222-K302 PolarHBondContact ND2-O 2.94Å; N222-V304 WeakPolarHBondContact OD1-CA 3.2Å; N222-V304 WeakPolarHBondContact OD1-CB 3.21Å; N222-V304 WeakPolarHBondContact OD1-CG2 3.47Å; N222-V304 PolarHBondContact OD1-N 2.9Å; N222-V304 VanDerWaalsContact OD1-N 3.1Å
223	L	96.4	Very high	94.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.1	-45.4	177.7	-66.2	169	0	0	0	111.4	L94 Y196 Y197 P198 I201 T219 K220 Q221 Y225 M226 Y227 Y299	L94-L223 HydrophobicContact CD2-CD2 3.95Å; Y196-L223 HydrophobicContact CE1-CB 3.91Å; Y196-L223 WeakPolarHBondContact CE1-O 3.38Å; Y196-L223 PolarHBondContact OH-O 2.85Å; Y197-L223 HydrophobicContact CD1-CB 4.36Å; Y197-L223 HydrophobicContact CD1-CD1 3.97Å; Y197-L223 HydrophobicContact CE1-CB 4.27Å; P198-L223 VanDerWaalsContact CD-CD1 3.43Å; P198-L223 HydrophobicContact CG-CD1 4.1Å; I201-L223 HydrophobicContact CD1-CD1 4.11Å; T219-L223 WeakPolarHBondContact O-CG 3.39Å; T219-L223 PolarHBondContact O-N 3.36Å; K220-L223 WeakPolarHBondContact O-CB 3.27Å; K220-L223 PolarHBondContact O-N 2.69Å; K220-L223 VanDerWaalsContact O-N 3.13Å; Q221-L223 VanDerWaalsContact C-N 3.34Å; Q221-L223 PolarHBondContact O-N 3.36Å; L223-Y225 VanDerWaalsContact C-N 3.31Å; L223-Y225 PolarHBondContact O-N 2.84Å; L223-M226 WeakPolarHBondContact O-CB 3.43Å; L223-M226 PolarHBondContact O-N 2.92Å; L223-Y227 PolarHBondContact O-N 3.27Å; L223-Y299 HydrophobicContact CD1-CD2 4.2Å; L223-Y299 HydrophobicContact CD1-CE2 4.09Å; L223-Y299 HydrophobicContact CD2-CD2 3.68Å; L223-Y299 HydrophobicContact CD2-CE2 3.88Å; L223-Y299 HydrophobicContact CD2-CG 4.34Å; L223-Y299 HydrophobicContact CG-CD2 3.81Å; L223-Y299 HydrophobicContact CG-CE2 4.15Å
224	D	97.3	Very high	94.9	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.043	10%	0.098	C	C	.	.	H	α-helix	trans	-57.6	-45.3	178.3	-62.4	-30.7	0	0	0	111.2	L157 A159 Y197 K220 Q221 Y227 L228	L157-D224 HydrophobicContact CD2-CB 3.92Å; L157-D224 WeakPolarHBondContact CD2-O 3.07Å; A159-D224 HydrophobicContact CB-CB 4.17Å; Y197-D224 VanDerWaalsContact CE1-OD1 3.3Å; Y197-D224 WeakPolarHBondContact CE1-OD1 3.37Å; Y197-D224 PolarHBondContact OH-OD1 3.39Å; K220-D224 VanDerWaalsContact NZ-CG 3.32Å; K220-D224 IonicContact NZ-OD1 3.33Å; K220-D224 PolarHBondContact NZ-OD1 2.82Å; K220-D224 VanDerWaalsContact NZ-OD1 3.17Å; K220-D224 IonicContact NZ-OD2 3.25Å; K220-D224 PolarHBondContact NZ-OD2 2.72Å; K220-D224 PolarHBondContact O-N 2.92Å; Q221-D224 PolarHBondContact O-N 2.62Å; D224-Y227 PolarHBondContact O-N 2.97Å; D224-L228 WeakPolarHBondContact O-CB 3.39Å; D224-L228 PolarHBondContact O-N 3.26Å
225	Y	97.5	Very high	95.1	Very high	5 Å²	5	18.9 Å²	18.9	2%	0.02	9%	0.086	C	C	.	.	H	α-helix	trans	-68.9	-38.4	-179.1	-78.5	30.8	0	0	0	110.7	P123 Q221 N222 L223 L228 M229 Q241 E243 F278 V304	P123-Y225 HydrophobicContact CB-CD1 4.48Å; P123-Y225 HydrophobicContact CB-CE1 4.12Å; P123-Y225 HydrophobicContact CG-CD1 4.04Å; P123-Y225 HydrophobicContact CG-CE1 3.37Å; Q221-Y225 HydrophobicContact CG-CD1 4.13Å; Q221-Y225 HydrophobicContact CG-CE1 3.76Å; Q221-Y225 PolarHBondContact NE2-OH 3.08Å; Q221-Y225 WeakPolarHBondContact O-CD1 3.49Å; Q221-Y225 PolarHBondContact O-N 3.48Å; N222-Y225 PolarHBondContact O-N 2.95Å; L223-Y225 VanDerWaalsContact C-N 3.31Å; L223-Y225 PolarHBondContact O-N 2.84Å; Y225-L228 PolarHBondContact O-N 3.08Å; Y225-M229 VanDerWaalsContact O-CB 3.31Å; Y225-M229 WeakPolarHBondContact O-CB 3.26Å; Y225-M229 VanDerWaalsContact O-CE 3.3Å; Y225-M229 WeakPolarHBondContact O-CE 3.26Å; Y225-M229 VanDerWaalsContact O-CG 3.31Å; Y225-M229 WeakPolarHBondContact O-CG 3.38Å; Y225-M229 PolarHBondContact O-N 2.83Å; Y225-Q241 HydrophobicContact CD2-CG 4.1Å; Y225-Q241 HydrophobicContact CE2-CG 3.88Å; Y225-E243 PolarHBondContact OH-OE1 3.39Å; Y225-F278 HydrophobicContact CE2-CB 4.27Å; Y225-F278 HydrophobicContact CE2-CG 4.37Å; Y225-V304 HydrophobicContact CD2-CB 4.37Å; Y225-V304 HydrophobicContact CD2-CG1 3.85Å; Y225-V304 HydrophobicContact CD2-CG2 3.93Å; Y225-V304 HydrophobicContact CE2-CG1 3.73Å
226	M	96.4	Very high	95.2	Very high	5 Å²	5	18.8 Å²	18.8	3%	0.025	9%	0.086	C	C	.	.	H	α-helix	trans	-61.4	-45.1	173.5	-73.6	174.1	59.3	0	0	112.2	L94 N222 L223 S230 I292 I295 A296	L94-M226 HydrophobicContact CD1-CE 3.5Å; L94-M226 VanDerWaalsContact CD1-CE 3.5Å; N222-M226 VanDerWaalsContact O-CG 3.23Å; N222-M226 WeakPolarHBondContact O-CG 3.31Å; N222-M226 PolarHBondContact O-N 2.86Å; L223-M226 WeakPolarHBondContact O-CB 3.43Å; L223-M226 PolarHBondContact O-N 2.92Å; M226-S230 WeakPolarHBondContact O-CB 3.27Å; M226-S230 PolarHBondContact O-N 3.26Å; M226-S230 PolarHBondContact O-OG 2.79Å; M226-I292 HydrophobicContact CB-CG2 4.46Å; M226-I292 HydrophobicContact CE-CG2 4.07Å; M226-I292 HydrophobicContact CG-CG2 4.37Å; M226-I295 HydrophobicContact CG-CB 4.05Å; M226-I295 HydrophobicContact CG-CG2 3.68Å; M226-I295 HydrophobicContact SD-CB 4.09Å; M226-I295 HydrophobicContact SD-CG2 3.58Å; M226-I295 VanDerWaalsContact SD-CG2 3.58Å; M226-A296 HydrophobicContact CE-CB 3.44Å; M226-A296 VanDerWaalsContact CE-CB 3.44Å; M226-A296 HydrophobicContact SD-CB 4.24Å
227	Y	96.5	Very high	95.4	Very high	7 Å²	7	15.1 Å²	15.1	3%	0.027	7%	0.073	C	C	.	.	H	α-helix	trans	-60.8	-49.5	177.7	-165.5	-94.5	0	0	0	111.1	M103 P105 L157 L190 P192 Y196 L223 D224 S230 Y231	M103-Y227 PolarHBondContact O-OH 3.4Å; M103-Y227 VanDerWaalsContact O-OH 3.13Å; P105-Y227 WeakPolarHBondContact CA-OH 3.11Å; L157-Y227 HydrophobicContact CD1-CD1 3.7Å; L157-Y227 HydrophobicContact CD1-CE1 4.14Å; L190-Y227 HydrophobicContact CD1-CE1 4.17Å; L190-Y227 HydrophobicContact CD2-CD1 3.92Å; L190-Y227 HydrophobicContact CD2-CE1 3.62Å; L190-Y227 HydrophobicContact CG-CD1 4.49Å; L190-Y227 HydrophobicContact CG-CE1 3.85Å; P192-Y227 HydrophobicContact CB-CD1 4.11Å; P192-Y227 HydrophobicContact CB-CD2 4.36Å; P192-Y227 HydrophobicContact CB-CE1 3.92Å; P192-Y227 HydrophobicContact CB-CE2 4.21Å; P192-Y227 HydrophobicContact CB-CG 4.31Å; Y196-Y227 AromaticContact CD1-CD2 3.79Å; Y196-Y227 HydrophobicContact CD1-CD2 3.79Å; Y196-Y227 HydrophobicContact CD1-CE2 4.5Å; Y196-Y227 HydrophobicContact CD1-CG 4.32Å; Y196-Y227 AromaticContact CD2-CD2 3.54Å; Y196-Y227 HydrophobicContact CD2-CD2 3.54Å; Y196-Y227 AromaticContact CD2-CE2 3.94Å; Y196-Y227 HydrophobicContact CD2-CE2 3.94Å; Y196-Y227 AromaticContact CE1-CD2 3.79Å; Y196-Y227 HydrophobicContact CE1-CD2 3.79Å; Y196-Y227 HydrophobicContact CE1-CG 4.09Å; Y196-Y227 AromaticContact CE2-CD2 3.57Å; Y196-Y227 HydrophobicContact CE2-CD2 3.57Å; Y196-Y227 HydrophobicContact CE2-CE2 4.37Å; Y196-Y227 HydrophobicContact CE2-CG 4.49Å; Y196-Y227 AromaticContact CG-CD2 3.67Å; Y196-Y227 HydrophobicContact CG-CD2 3.67Å; Y196-Y227 HydrophobicContact CG-CE2 4.03Å; Y196-Y227 AromaticContact CZ-CD2 3.7Å; Y196-Y227 PolarHBondContact OH-N 3.49Å; L223-Y227 PolarHBondContact O-N 3.27Å; D224-Y227 PolarHBondContact O-N 2.97Å; Y227-S230 PolarHBondContact O-N 2.91Å; Y227-Y231 WeakPolarHBondContact O-CB 3.47Å; Y227-Y231 PolarHBondContact O-N 3.14Å
228	L	97.6	Very high	95.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.1	-47.7	-179.6	-179.6	54.9	0	0	0	112.1	G121 P123 V155 L157 D224 Y225 S230 Y231 C232 Y239	G121-L228 VanDerWaalsContact C-CD2 3.46Å; P123-L228 HydrophobicContact CB-CD2 4.47Å; P123-L228 HydrophobicContact CG-CD2 4.49Å; V155-L228 HydrophobicContact CB-CD1 4.1Å; V155-L228 HydrophobicContact CG1-CD1 3.66Å; L157-L228 HydrophobicContact CB-CB 4.4Å; L157-L228 HydrophobicContact CB-CD1 4.1Å; L157-L228 HydrophobicContact CB-CD2 4.33Å; L157-L228 HydrophobicContact CB-CG 4.5Å; L157-L228 HydrophobicContact CD2-CB 4.08Å; D224-L228 WeakPolarHBondContact O-CB 3.39Å; D224-L228 PolarHBondContact O-N 3.26Å; Y225-L228 PolarHBondContact O-N 3.08Å; L228-S230 VanDerWaalsContact C-N 3.34Å; L228-S230 PolarHBondContact O-N 2.94Å; L228-Y231 PolarHBondContact O-N 3.47Å; L228-C232 WeakPolarHBondContact O-CB 3.24Å; L228-C232 PolarHBondContact O-N 2.94Å; L228-C232 PolarHBondContact O-SG 3Å; L228-Y239 WeakPolarHBondContact CG-OH 3.35Å
229	M	97.2	Very high	95.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.9	-43.3	175.5	-77.4	-172.6	-76.4	0	0	111.7	Y225 Y231 C232 R233 Y239 F278 L288 L291 I292 I295	Y225-M229 VanDerWaalsContact O-CB 3.31Å; Y225-M229 WeakPolarHBondContact O-CB 3.26Å; Y225-M229 VanDerWaalsContact O-CE 3.3Å; Y225-M229 WeakPolarHBondContact O-CE 3.26Å; Y225-M229 VanDerWaalsContact O-CG 3.31Å; Y225-M229 WeakPolarHBondContact O-CG 3.38Å; Y225-M229 PolarHBondContact O-N 2.83Å; M229-Y231 VanDerWaalsContact C-N 3.31Å; M229-Y231 PolarHBondContact O-N 2.87Å; M229-C232 PolarHBondContact O-N 2.82Å; M229-R233 WeakPolarHBondContact O-CB 3.27Å; M229-R233 PolarHBondContact O-N 2.81Å; M229-Y239 HydrophobicContact CG-CD1 4.08Å; M229-Y239 HydrophobicContact CG-CE1 3.37Å; M229-Y239 HydrophobicContact CG-CE2 4.5Å; M229-Y239 HydrophobicContact SD-CE1 4.14Å; M229-F278 HydrophobicContact CE-CZ 4.46Å; M229-F278 HydrophobicContact SD-CZ 4.44Å; M229-L288 HydrophobicContact CB-CD1 4.49Å; M229-L288 HydrophobicContact CG-CD2 4.28Å; M229-L288 HydrophobicContact SD-CD2 3.94Å; M229-L291 HydrophobicContact SD-CD2 3.82Å; M229-L291 HydrophobicContact SD-CG 4.25Å; M229-I292 HydrophobicContact CB-CD1 3.91Å; M229-I292 HydrophobicContact CB-CG1 3.92Å; M229-I292 HydrophobicContact CE-CG1 4.36Å; M229-I292 HydrophobicContact SD-CG1 4.48Å; M229-I295 HydrophobicContact CE-CD1 3.65Å
230	S	94.7	Very high	96.1	Very high	37 Å²	37	13.2 Å²	13.2	26%	0.259	7%	0.066	S	C	.	.	H	α-helix	trans	-61	-41.6	179.1	-62.8	0	0	0	0	111.7	M226 Y227 L228	M226-S230 WeakPolarHBondContact O-CB 3.27Å; M226-S230 PolarHBondContact O-N 3.26Å; M226-S230 PolarHBondContact O-OG 2.79Å; Y227-S230 PolarHBondContact O-N 2.91Å; L228-S230 VanDerWaalsContact C-N 3.34Å; L228-S230 PolarHBondContact O-N 2.94Å
231	Y	95.4	Very high	96.2	Very high	31 Å²	31	12.3 Å²	12.3	12%	0.122	6%	0.062	C	C	.	.	H	α-helix	trans	-67.8	-46.1	175.9	-179.3	-90.9	0	0	0	112	L108 V155 E188 L190 Y227 L228 M229 R233 R235	L108-Y231 HydrophobicContact CD1-CE2 4.22Å; L108-Y231 WeakPolarHBondContact CD1-OH 3.48Å; V155-Y231 HydrophobicContact CB-CE1 4.47Å; V155-Y231 HydrophobicContact CG1-CD1 3.69Å; V155-Y231 HydrophobicContact CG1-CE1 3.6Å; V155-Y231 HydrophobicContact CG2-CD1 4.32Å; V155-Y231 HydrophobicContact CG2-CE1 4Å; E188-Y231 WeakPolarHBondContact OE2-CE1 3.34Å; E188-Y231 PolarHBondContact OE2-OH 2.92Å; L190-Y231 HydrophobicContact CD1-CD2 3.92Å; L190-Y231 HydrophobicContact CD1-CE2 3.71Å; L190-Y231 HydrophobicContact CD2-CD1 3.79Å; L190-Y231 HydrophobicContact CD2-CD2 3.68Å; L190-Y231 HydrophobicContact CD2-CE1 4.18Å; L190-Y231 HydrophobicContact CD2-CE2 4.1Å; L190-Y231 HydrophobicContact CD2-CG 3.5Å; L190-Y231 HydrophobicContact CG-CD2 4.48Å; Y227-Y231 WeakPolarHBondContact O-CB 3.47Å; Y227-Y231 PolarHBondContact O-N 3.14Å; L228-Y231 PolarHBondContact O-N 3.47Å; M229-Y231 VanDerWaalsContact C-N 3.31Å; M229-Y231 PolarHBondContact O-N 2.87Å; Y231-R233 VanDerWaalsContact C-N 3.33Å; Y231-R233 PolarHBondContact O-N 2.86Å; Y231-R235 VanDerWaalsContact CE2-CZ 3.41Å; Y231-R235 VanDerWaalsContact CZ-NE 3.27Å; Y231-R235 PolarHBondContact O-NH1 3.11Å; Y231-R235 VanDerWaalsContact OH-CZ 3.27Å; Y231-R235 PolarHBondContact OH-NE 2.85Å; Y231-R235 PolarHBondContact OH-NH2 2.78Å
232	C	96.3	Very high	96.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-72	-26.3	-176	-66.6	0	0	0	0	113.7	T119 L228 M229 S234 R235 Y239	T119-C232 HydrophobicContact CG2-CB 3.59Å; T119-C232 VanDerWaalsContact CG2-SG 3.57Å; L228-C232 WeakPolarHBondContact O-CB 3.24Å; L228-C232 PolarHBondContact O-N 2.94Å; L228-C232 PolarHBondContact O-SG 3Å; M229-C232 PolarHBondContact O-N 2.82Å; C232-S234 PolarHBondContact O-N 3.09Å; C232-R235 PolarHBondContact O-N 3.11Å; C232-Y239 HydrophobicContact CB-CD2 3.4Å; C232-Y239 HydrophobicContact CB-CE2 3.52Å
233	R	93.7	Very high	96.1	Very high	58 Å²	58	12.6 Å²	12.6	22%	0.219	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-33.8	-178.5	-177.6	-179	81.5	119.3	-1.7	114.7	Y29 E33 M229 Y231 C285 L288	Y29-R233 WeakPolarHBondContact OH-CD 3.47Å; Y29-R233 WeakPolarHBondContact OH-CG 3.24Å; Y29-R233 PolarHBondContact OH-NE 3.03Å; Y29-R233 PolarHBondContact OH-NH1 2.61Å; E33-R233 IonicContact OE2-CZ 2.77Å; E33-R233 VanDerWaalsContact OE2-CZ 3.27Å; E33-R233 IonicContact OE2-NH1 3.45Å; E33-R233 PolarHBondContact OE2-NH1 2.81Å; E33-R233 IonicContact OE2-NH2 3.49Å; E33-R233 PolarHBondContact OE2-NH2 3.31Å; M229-R233 WeakPolarHBondContact O-CB 3.27Å; M229-R233 PolarHBondContact O-N 2.81Å; Y231-R233 VanDerWaalsContact C-N 3.33Å; Y231-R233 PolarHBondContact O-N 2.86Å; R233-C285 WeakPolarHBondContact CG-O 3.4Å; R233-C285 WeakPolarHBondContact O-CB 3.44Å; R233-L288 HydrophobicContact CB-CD1 4.02Å; R233-L288 HydrophobicContact CG-CB 4.42Å; R233-L288 HydrophobicContact CG-CD1 4.41Å
234	S	91.2	Very high	95.9	Very high	41 Å²	41	12.8 Å²	12.8	29%	0.287	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	6.4	-176.9	58.8	0	0	0	0	114.4	C232	C232-S234 PolarHBondContact O-N 3.09Å
235	R	94.4	Very high	95.3	Very high	16 Å²	16	12.6 Å²	12.6	6%	0.06	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-27.5	-172.2	-74.1	166.3	167.2	69.1	8.1	114.4	R114 G115 V116 T119 L153 E188 Y231 C232	R114-R235 CarbonylContact C-O 3.55Å; G115-R235 PolarHBondContact N-O 2.59Å; V116-R235 WeakPolarHBondContact CG2-O 3.49Å; V116-R235 PolarHBondContact N-O 2.83Å; V116-R235 VanDerWaalsContact N-O 3.11Å; T119-R235 HydrophobicContact CG2-CB 4.46Å; L153-R235 HydrophobicContact CD2-CB 3.81Å; L153-R235 HydrophobicContact CD2-CG 4.02Å; E188-R235 IonicContact OE2-CZ 3.27Å; E188-R235 IonicContact OE2-NE 2.72Å; E188-R235 PolarHBondContact OE2-NE 3.41Å; E188-R235 VanDerWaalsContact OE2-NE 3.11Å; Y231-R235 VanDerWaalsContact CE2-CZ 3.41Å; Y231-R235 VanDerWaalsContact CZ-NE 3.27Å; Y231-R235 PolarHBondContact O-NH1 3.11Å; Y231-R235 VanDerWaalsContact OH-CZ 3.27Å; Y231-R235 PolarHBondContact OH-NE 2.85Å; Y231-R235 PolarHBondContact OH-NH2 2.78Å; C232-R235 PolarHBondContact O-N 3.11Å
236	G	94.6	Very high	94.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	176.4	179.7	0	0	0	0	0	115	H26 V116 T119 C285	H26-G236 PolarHBondContact CE1-O 2.94Å; V116-G236 CarbonylContact O-C 3.6Å; V116-G236 WeakPolarHBondContact O-CA 3.43Å; T119-G236 PolarHBondContact OG1-N 2.97Å; G236-C285 WeakPolarHBondContact O-CB 3.46Å; G236-C285 PolarHBondContact O-SG 3.2Å
237	L	96.3	Very high	93.7	Very high	15 Å²	15	14.5 Å²	14.5	8%	0.079	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-45.4	177.8	177.9	60.6	0	0	0	111.7	R23 H26 V116 Y117 C285	R23-L237 HydrophobicContact CG-CD2 4.13Å; H26-L237 HydrophobicContact CB-CD1 3.29Å; V116-L237 PolarHBondContact O-N 2.62Å; Y117-L237 HydrophobicContact CD2-CD2 4.13Å; Y117-L237 HydrophobicContact CE2-CD2 4.12Å; Y117-L237 WeakPolarHBondContact O-CB 3.28Å; L237-C285 PolarHBondContact O-N 3.33Å
238	Y	98.1	Very high	93	Very high	10 Å²	10	14.7 Å²	14.7	4%	0.039	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	151.4	176.5	-56.7	-73.7	0	0	0	111.6	E22 Y117 T119 V260 W268 L282 F283 R284 C285	E22-Y238 WeakPolarHBondContact CG-OH 3.37Å; Y117-Y238 HydrophobicContact CD1-CD2 4.12Å; Y117-Y238 HydrophobicContact CD2-CE2 4.36Å; Y117-Y238 AromaticContact CE1-CD2 3.71Å; Y117-Y238 HydrophobicContact CE1-CD2 3.71Å; Y117-Y238 AromaticContact CE1-CE2 3.89Å; Y117-Y238 HydrophobicContact CE1-CE2 3.89Å; Y117-Y238 HydrophobicContact CE2-CD2 4.16Å; Y117-Y238 AromaticContact CE2-CE2 3.68Å; Y117-Y238 HydrophobicContact CE2-CE2 3.68Å; Y117-Y238 AromaticContact CZ-CD2 3.75Å; Y117-Y238 AromaticContact CZ-CE2 3.41Å; Y117-Y238 VanDerWaalsContact CZ-CE2 3.41Å; Y117-Y238 WeakPolarHBondContact O-CD2 3.16Å; Y117-Y238 PolarHBondContact O-N 3.48Å; Y117-Y238 WeakPolarHBondContact OH-CE2 3.21Å; T119-Y238 PolarHBondContact N-O 2.88Å; Y238-V260 HydrophobicContact CE1-CG1 4.16Å; Y238-V260 HydrophobicContact CE2-CG1 3.91Å; Y238-V260 VanDerWaalsContact OH-CG1 3.26Å; Y238-V260 WeakPolarHBondContact OH-CG1 3.5Å; Y238-W268 HydrophobicContact CD1-CH2 4.03Å; Y238-W268 AromaticContact CE1-CH2 3.8Å; Y238-W268 HydrophobicContact CE1-CH2 3.8Å; Y238-W268 AromaticContact CE1-CZ2 3.88Å; Y238-W268 HydrophobicContact CE1-CZ2 3.88Å; Y238-L282 HydrophobicContact CD1-CD2 3.8Å; Y238-L282 HydrophobicContact CG-CD2 4.19Å; Y238-F283 WeakPolarHBondContact CA-O 3.37Å; Y238-R284 HydrophobicContact CD1-CG 4.13Å; Y238-R284 HydrophobicContact CE1-CG 3.93Å; Y238-C285 VanDerWaalsContact C-SG 3.58Å
239	Y	98.3	Very high	92.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.5	173.2	173	-101.3	0	0	0	109.9	T119 L228 M229 C232 Q241 L282 F283 L288	T119-Y239 CarbonylContact O-C 3.48Å; T119-Y239 VanDerWaalsContact O-CA 3.3Å; T119-Y239 WeakPolarHBondContact O-CA 3.38Å; L228-Y239 WeakPolarHBondContact CG-OH 3.35Å; M229-Y239 HydrophobicContact CG-CD1 4.08Å; M229-Y239 HydrophobicContact CG-CE1 3.37Å; M229-Y239 HydrophobicContact CG-CE2 4.5Å; M229-Y239 HydrophobicContact SD-CE1 4.14Å; C232-Y239 HydrophobicContact CB-CD2 3.4Å; C232-Y239 HydrophobicContact CB-CE2 3.52Å; Y239-Q241 HydrophobicContact CE1-CB 3.92Å; Y239-Q241 PolarHBondContact OH-OE1 3.3Å; Y239-L282 CarbonylContact O-C 3.59Å; Y239-L282 VanDerWaalsContact O-CA 3.29Å; Y239-L282 WeakPolarHBondContact O-CA 3.44Å; Y239-F283 HydrophobicContact CD1-CD2 4.32Å; Y239-F283 PolarHBondContact N-O 2.98Å; Y239-F283 PolarHBondContact O-N 3.25Å; Y239-L288 HydrophobicContact CD1-CD1 4.22Å; Y239-L288 HydrophobicContact CD1-CD2 3.85Å; Y239-L288 HydrophobicContact CG-CD1 3.93Å; Y239-L288 HydrophobicContact CG-CD2 4.35Å
240	M	98.3	Very high	90.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.5	170.3	-178.9	175	-64.8	0	0	110.5	L118 T119 I120 G121 L242 I256 F273 K281 L282 F342	L118-M240 HydrophobicContact CD1-CB 4.03Å; T119-M240 PolarHBondContact O-N 3.12Å; I120-M240 WeakPolarHBondContact CA-O 3.32Å; G121-M240 PolarHBondContact N-O 3.45Å; M240-L242 HydrophobicContact CG-CD2 4.21Å; M240-L242 HydrophobicContact CG-CG 4.3Å; M240-L242 HydrophobicContact SD-CD2 4.06Å; M240-L242 HydrophobicContact SD-CG 4.43Å; M240-I256 HydrophobicContact CE-CD1 3.29Å; M240-I256 HydrophobicContact CE-CG1 3.85Å; M240-I256 HydrophobicContact SD-CD1 4.16Å; M240-F273 HydrophobicContact CE-CD2 3.45Å; M240-F273 VanDerWaalsContact CE-CD2 3.45Å; M240-F273 HydrophobicContact CE-CE2 3.7Å; M240-F273 HydrophobicContact CE-CG 4.26Å; M240-K281 WeakPolarHBondContact CA-O 3.37Å; M240-L282 HydrophobicContact CE-CB 4.1Å; M240-L282 HydrophobicContact CE-CD1 3.89Å; M240-F342 HydrophobicContact CE-CE2 4.41Å; M240-F342 HydrophobicContact SD-CE2 3.76Å; M240-F342 HydrophobicContact SD-CZ 3.69Å
241	Q	97.9	Very high	90.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127.1	170.4	-175.6	68.1	54.6	0	0	109.8	Y225 Y239 F278 A280 K281	Y225-Q241 HydrophobicContact CD2-CG 4.1Å; Y225-Q241 HydrophobicContact CE2-CG 3.88Å; Y239-Q241 HydrophobicContact CE1-CB 3.92Å; Y239-Q241 PolarHBondContact OH-OE1 3.3Å; Q241-F278 HydrophobicContact CB-CD1 3.78Å; Q241-F278 HydrophobicContact CB-CE1 3.83Å; Q241-F278 HydrophobicContact CG-CD1 3.65Å; Q241-F278 HydrophobicContact CG-CE1 3.95Å; Q241-F278 WeakPolarHBondContact CG-O 3.33Å; Q241-A280 VanDerWaalsContact O-CA 3.24Å; Q241-A280 WeakPolarHBondContact O-CA 3.4Å; Q241-A280 PolarHBondContact O-N 3.02Å; Q241-K281 PolarHBondContact N-O 3.37Å
242	L	97	Very high	89.7	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.			trans	-123.9	175.1	168.9	-67.4	-174.4	0	0	0	110	I120 G121 I122 P123 L140 M240 L246 A280 F342	I120-L242 HydrophobicContact CG2-CB 4.37Å; I120-L242 HydrophobicContact CG2-CD1 3.37Å; I120-L242 HydrophobicContact CG2-CG 3.81Å; G121-L242 PolarHBondContact O-N 3.39Å; I122-L242 HydrophobicContact CG1-CB 4.11Å; P123-L242 WeakPolarHBondContact CD-O 2.91Å; L140-L242 HydrophobicContact CD1-CD1 4.04Å; L140-L242 HydrophobicContact CD2-CD1 3.91Å; M240-L242 HydrophobicContact CG-CD2 4.21Å; M240-L242 HydrophobicContact CG-CG 4.3Å; M240-L242 HydrophobicContact SD-CD2 4.06Å; M240-L242 HydrophobicContact SD-CG 4.43Å; L242-L246 HydrophobicContact CB-CD1 4.29Å; L242-L246 HydrophobicContact CB-CD2 4.14Å; L242-L246 HydrophobicContact CD1-CD1 4.02Å; L242-L246 HydrophobicContact CD2-CD1 4.46Å; L242-L246 HydrophobicContact CD2-CD2 4.16Å; L242-A280 HydrophobicContact CD2-CB 3.79Å; L242-F342 HydrophobicContact CD1-CD1 4.41Å; L242-F342 HydrophobicContact CD1-CE1 3.99Å; L242-F342 HydrophobicContact CD2-CD1 4.03Å; L242-F342 HydrophobicContact CD2-CD2 4.5Å; L242-F342 HydrophobicContact CD2-CE1 4.06Å; L242-F342 HydrophobicContact CD2-CG 4.25Å; L242-F342 HydrophobicContact CD2-CZ 4.3Å
243	E	93.6	Very high	89.6	Confident	31 Å²	31	18 Å²	18	15%	0.145	9%	0.093	C	C	.	.			trans	-112.3	170.6	167.6	-66.5	-178.3	168.8	0	0	108.8	Y225 L246 I279 H344	Y225-E243 PolarHBondContact OH-OE1 3.39Å; E243-L246 HydrophobicContact CB-CD2 4.06Å; E243-L246 WeakPolarHBondContact O-CD1 3.28Å; E243-L246 WeakPolarHBondContact O-CD2 3.21Å; E243-L246 VanDerWaalsContact O-CG 3.23Å; E243-L246 WeakPolarHBondContact O-CG 3.13Å; E243-I279 HydrophobicContact CG-CD1 4.4Å; E243-I279 HydrophobicContact CG-CG1 3.98Å; E243-I279 WeakPolarHBondContact OE2-CD1 3.35Å; E243-H344 IonicContact OE2-CD2 3.53Å; E243-H344 PolarHBondContact OE2-CD2 2.85Å; E243-H344 IonicContact OE2-NE2 3.98Å
244	D	92	Very high	89.4	Confident	5 Å²	5	16.5 Å²	16.5	3%	0.027	9%	0.091	C	C	.	.	S	Bend	trans	-90.2	4.8	-176.1	66.6	-19.8	0	0	0	114.2	I122 P123 T124 R127 Y132 L133 T136	I122-D244 HydrophobicContact CG2-CB 3.8Å; P123-D244 WeakPolarHBondContact O-CB 3.2Å; T124-D244 WeakPolarHBondContact CA-OD2 3.23Å; T124-D244 WeakPolarHBondContact CB-OD2 3.42Å; T124-D244 PolarHBondContact OG1-OD2 3.11Å; R127-D244 IonicContact CZ-OD1 3.27Å; R127-D244 VanDerWaalsContact CZ-OD1 3.25Å; R127-D244 IonicContact CZ-OD2 2.66Å; R127-D244 IonicContact NH1-OD1 3.02Å; R127-D244 PolarHBondContact NH1-OD1 2.62Å; R127-D244 IonicContact NH1-OD2 3.63Å; R127-D244 PolarHBondContact NH1-OD2 3.18Å; R127-D244 IonicContact NH2-OD1 2.85Å; R127-D244 PolarHBondContact NH2-OD1 3.05Å; R127-D244 IonicContact NH2-OD2 2.81Å; Y132-D244 CarbonylContact C-O 3.56Å; Y132-D244 VanDerWaalsContact CB-O 3.22Å; Y132-D244 WeakPolarHBondContact CB-O 3.47Å; Y132-D244 VanDerWaalsContact O-O 3.12Å; L133-D244 WeakPolarHBondContact CA-O 3.43Å; L133-D244 HydrophobicContact CB-CB 4.28Å; L133-D244 HydrophobicContact CD1-CB 3.8Å; L133-D244 PolarHBondContact N-O 3.11Å; T136-D244 WeakPolarHBondContact CB-O 3.5Å; T136-D244 PolarHBondContact OG1-O 2.61Å
245	D	84.5	Confident	89.2	Confident	3 Å²	3	16.5 Å²	16.5	2%	0.016	9%	0.088	C	C	.	.	S	Bend	trans	-125.8	51	-175.1	56	5.4	0	0	0	113.3	R127 Y132 H344 V345 G346	R127-D245 IonicContact CZ-OD2 3.46Å; R127-D245 IonicContact NH2-OD2 2.6Å; R127-D245 PolarHBondContact NH2-OD2 2.94Å; Y132-D245 HydrophobicContact CD1-CB 4.39Å; Y132-D245 HydrophobicContact CD2-CB 3.61Å; Y132-D245 HydrophobicContact CE2-CB 4.35Å; Y132-D245 HydrophobicContact CG-CB 3.64Å; D245-H344 IonicContact OD1-CD2 3.89Å; D245-H344 PolarHBondContact OD1-CD2 3.18Å; D245-H344 IonicContact OD1-NE2 2.77Å; D245-H344 PolarHBondContact OD1-NE2 2.88Å; D245-H344 IonicContact OD2-CE1 2.78Å; D245-H344 IonicContact OD2-NE2 3.82Å; D245-H344 PolarHBondContact OD2-NE2 3.39Å; D245-V345 VanDerWaalsContact O-CG2 3.28Å; D245-V345 WeakPolarHBondContact O-CG2 3.31Å; D245-V345 PolarHBondContact O-N 3.36Å; D245-G346 PolarHBondContact O-N 3.03Å
246	L	84.4	Confident	89.2	Confident	2 Å²	2	15.7 Å²	15.7	1%	0.01	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152.9	-176.3	40.3	82.6	0	0	0	113.9	T136 L242 E243 I279 Q343	T136-L246 WeakPolarHBondContact CA-O 3.28Å; T136-L246 HydrophobicContact CG2-CD1 3.5Å; T136-L246 HydrophobicContact CG2-CG 4.23Å; T136-L246 PolarHBondContact OG1-N 3.19Å; T136-L246 PolarHBondContact OG1-O 2.8Å; L242-L246 HydrophobicContact CB-CD1 4.29Å; L242-L246 HydrophobicContact CB-CD2 4.14Å; L242-L246 HydrophobicContact CD1-CD1 4.02Å; L242-L246 HydrophobicContact CD2-CD1 4.46Å; L242-L246 HydrophobicContact CD2-CD2 4.16Å; E243-L246 HydrophobicContact CB-CD2 4.06Å; E243-L246 WeakPolarHBondContact O-CD1 3.28Å; E243-L246 WeakPolarHBondContact O-CD2 3.21Å; E243-L246 VanDerWaalsContact O-CG 3.23Å; E243-L246 WeakPolarHBondContact O-CG 3.13Å; L246-I279 HydrophobicContact CD2-CG2 3.56Å; L246-Q343 CarbonylContact C-O 3.47Å; L246-Q343 WeakPolarHBondContact CA-O 3.47Å; L246-Q343 WeakPolarHBondContact CB-O 3.3Å
247	V	76.1	Confident	89.2	Confident	48 Å²	48	19.5 Å²	19.5	29%	0.291	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	146.1	171.4	-61.9	0	0	0	0	109.2	F342 Q343 V345 F363	V247-F342 WeakPolarHBondContact O-CA 3.42Å; V247-Q343 HydrophobicContact CG2-CB 3.87Å; V247-Q343 HydrophobicContact CG2-CG 4.4Å; V247-Q343 PolarHBondContact N-O 3.27Å; V247-Q343 PolarHBondContact O-N 2.73Å; V247-V345 HydrophobicContact CB-CG1 4.4Å; V247-V345 HydrophobicContact CG1-CG1 3.92Å; V247-V345 HydrophobicContact CG1-CG2 4.13Å; V247-V345 HydrophobicContact CG2-CG1 3.71Å; V247-F363 HydrophobicContact CG2-CE1 4.27Å; V247-F363 HydrophobicContact CG2-CZ 3.99Å
248	T	81.4	Confident	88.9	Confident	11 Å²	11	23.9 Å²	23.9	7%	0.067	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	157.7	179.8	-169.3	0	0	0	0	111.7	S139 L140 S143 F252 L341 F342	S139-T248 VanDerWaalsContact O-CG2 3.32Å; S139-T248 WeakPolarHBondContact O-CG2 3.3Å; S139-T248 WeakPolarHBondContact OG-CG2 3.26Å; S139-T248 PolarHBondContact OG-N 2.86Å; L140-T248 HydrophobicContact CD2-CG2 3.98Å; L140-T248 HydrophobicContact CG-CG2 4.44Å; S143-T248 WeakPolarHBondContact OG-CG2 3.42Å; T248-F252 HydrophobicContact CG2-CD1 3.93Å; T248-F252 HydrophobicContact CG2-CE1 4.25Å; T248-F252 WeakPolarHBondContact OG1-CB 3.44Å; T248-F252 WeakPolarHBondContact OG1-CD1 3.29Å; T248-F252 WeakPolarHBondContact OG1-CG 3.47Å; T248-L341 WeakPolarHBondContact CA-O 3.39Å; T248-L341 PolarHBondContact OG1-O 3.33Å; T248-F342 VanDerWaalsContact OG1-CE1 3.26Å; T248-F342 WeakPolarHBondContact OG1-CE1 3.47Å
249	K	78.1	Confident	88.6	Confident	13 Å²	13	23.8 Å²	23.8	6%	0.057	12%	0.12	C	C	.	.			trans	-78.6	153.8	169.6	-70.3	-173.5	174.9	160.5	0	111	S143 F252 S340 L341 F363 I370	S143-K249 WeakPolarHBondContact CB-O 3.25Å; K249-F252 WeakPolarHBondContact O-CB 3.43Å; K249-F252 PolarHBondContact O-N 2.88Å; K249-S340 WeakPolarHBondContact CE-O 3.33Å; K249-S340 PolarHBondContact NZ-O 3.41Å; K249-L341 HydrophobicContact CD-CD2 4.37Å; K249-L341 PolarHBondContact N-O 2.92Å; K249-F363 HydrophobicContact CD-CE2 4.46Å; K249-F363 HydrophobicContact CG-CE2 3.85Å; K249-F363 HydrophobicContact CG-CZ 4.25Å; K249-I370 HydrophobicContact CD-CD1 4.06Å
250	L	72.7	Confident	88.4	Confident	93 Å²	93	24.1 Å²	24.1	49%	0.487	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	144.9	168.1	-63.5	178.1	0	0	0	110.6	F252	L250-F252 PolarHBondContact O-N 3.09Å
251	N	77.6	Confident	88	Confident	32 Å²	32	29 Å²	29	17%	0.171	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	27.3	177	-54.9	-11.8	0	0	0	113.3	S143 F253 S254 N255 P376	S143-N251 PolarHBondContact O-N 3.22Å; N251-F253 PolarHBondContact O-N 2.76Å; N251-S254 PolarHBondContact O-N 2.75Å; N251-N255 PolarHBondContact O-N 3.11Å; N251-N255 PolarHBondContact O-ND2 2.67Å; N251-P376 PolarHBondContact ND2-O 3.11Å
252	F	87.9	Confident	87.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57.5	-35.8	179.3	79	-88.4	0	0	0	111.4	I120 L140 M144 T248 K249 L250 N255 I256 L341 F342	I120-F252 HydrophobicContact CD1-CE2 3.94Å; I120-F252 HydrophobicContact CD1-CZ 4.05Å; L140-F252 HydrophobicContact CD2-CE1 4.09Å; L140-F252 HydrophobicContact CD2-CE2 4.41Å; L140-F252 HydrophobicContact CD2-CZ 3.92Å; M144-F252 HydrophobicContact CE-CE1 4.31Å; M144-F252 HydrophobicContact CE-CZ 4.12Å; M144-F252 HydrophobicContact CG-CD1 4.31Å; M144-F252 HydrophobicContact CG-CE1 3.49Å; M144-F252 VanDerWaalsContact CG-CE1 3.49Å; M144-F252 HydrophobicContact CG-CZ 3.84Å; M144-F252 HydrophobicContact SD-CE1 3.96Å; M144-F252 HydrophobicContact SD-CZ 3.67Å; T248-F252 HydrophobicContact CG2-CD1 3.93Å; T248-F252 HydrophobicContact CG2-CE1 4.25Å; T248-F252 WeakPolarHBondContact OG1-CB 3.44Å; T248-F252 WeakPolarHBondContact OG1-CD1 3.29Å; T248-F252 WeakPolarHBondContact OG1-CG 3.47Å; K249-F252 WeakPolarHBondContact O-CB 3.43Å; K249-F252 PolarHBondContact O-N 2.88Å; L250-F252 PolarHBondContact O-N 3.09Å; F252-N255 PolarHBondContact O-N 2.8Å; F252-I256 HydrophobicContact CD2-CD1 3.52Å; F252-I256 HydrophobicContact CE2-CD1 3.93Å; F252-I256 VanDerWaalsContact O-CG1 3.24Å; F252-I256 WeakPolarHBondContact O-CG1 3.47Å; F252-I256 PolarHBondContact O-N 2.79Å; F252-L341 HydrophobicContact CB-CB 4.35Å; F252-L341 HydrophobicContact CB-CD1 4.15Å; F252-F342 HydrophobicContact CB-CZ 4.45Å; F252-F342 HydrophobicContact CD2-CE1 4.16Å; F252-F342 AromaticContact CD2-CZ 3.62Å; F252-F342 HydrophobicContact CD2-CZ 3.62Å; F252-F342 HydrophobicContact CE2-CZ 4.2Å; F252-F342 HydrophobicContact CG-CE1 4.46Å; F252-F342 HydrophobicContact CG-CZ 4.2Å
253	F	94	Very high	87.2	Confident	1 Å²	1	35.9 Å²	35.9	0%	0.004	18%	0.175	C	C	.	.	H	α-helix	trans	-67.1	-48.2	179.7	-179.8	-110	0	0	0	112.3	Y117 L118 M144 E148 H151 V152 N251 N255 I256 K257	Y117-F253 AromaticContact CD1-CE2 3.82Å; Y117-F253 HydrophobicContact CD1-CE2 3.82Å; Y117-F253 AromaticContact CD1-CZ 3.91Å; Y117-F253 HydrophobicContact CD1-CZ 3.91Å; Y117-F253 HydrophobicContact CG-CZ 4.42Å; L118-F253 HydrophobicContact CB-CD2 4.42Å; L118-F253 HydrophobicContact CB-CE2 3.84Å; L118-F253 HydrophobicContact CD2-CD2 3.9Å; L118-F253 HydrophobicContact CD2-CE2 4.16Å; M144-F253 HydrophobicContact CG-CB 4.04Å; M144-F253 HydrophobicContact SD-CB 4.17Å; E148-F253 HydrophobicContact CB-CD1 3.59Å; E148-F253 HydrophobicContact CB-CE1 4.06Å; E148-F253 HydrophobicContact CB-CG 4.44Å; E148-F253 HydrophobicContact CG-CD1 3.67Å; E148-F253 HydrophobicContact CG-CE1 4.22Å; E148-F253 WeakPolarHBondContact OE1-CD1 3.4Å; H151-F253 HydrophobicContact CB-CE1 4.02Å; H151-F253 HydrophobicContact CB-CZ 3.62Å; V152-F253 HydrophobicContact CG2-CD1 4.43Å; V152-F253 HydrophobicContact CG2-CD2 3.42Å; V152-F253 VanDerWaalsContact CG2-CD2 3.42Å; V152-F253 HydrophobicContact CG2-CE1 4.36Å; V152-F253 HydrophobicContact CG2-CE2 3.37Å; V152-F253 HydrophobicContact CG2-CG 3.97Å; V152-F253 HydrophobicContact CG2-CZ 3.86Å; N251-F253 PolarHBondContact O-N 2.76Å; F253-N255 VanDerWaalsContact C-N 3.29Å; F253-N255 PolarHBondContact O-N 2.89Å; F253-I256 WeakPolarHBondContact O-CB 3.48Å; F253-I256 PolarHBondContact O-N 3.39Å; F253-I256 VanDerWaalsContact O-N 3.13Å; F253-K257 HydrophobicContact CD1-CD 4.1Å; F253-K257 HydrophobicContact CE1-CD 3.44Å; F253-K257 VanDerWaalsContact CE1-CD 3.44Å; F253-K257 HydrophobicContact CE1-CG 4.14Å; F253-K257 HydrophobicContact CE2-CD 4.36Å; F253-K257 HydrophobicContact CE2-CG 4.28Å; F253-K257 HydrophobicContact CZ-CD 3.59Å; F253-K257 HydrophobicContact CZ-CG 3.99Å; F253-K257 PolarHBondContact O-N 2.95Å
254	S	88.5	Confident	86.9	Confident	25 Å²	25	35.4 Å²	35.4	18%	0.175	18%	0.175	C	C	.	.	H	α-helix	trans	-53.7	-45.1	170.3	-83.4	0	0	0	0	112.2	E148 N251 I256 K257 F258	E148-S254 WeakPolarHBondContact OE1-CB 3.47Å; E148-S254 PolarHBondContact OE1-N 3.03Å; E148-S254 VanDerWaalsContact OE1-N 3.09Å; E148-S254 PolarHBondContact OE1-OG 3.4Å; N251-S254 PolarHBondContact O-N 2.75Å; S254-I256 PolarHBondContact O-N 2.83Å; S254-K257 PolarHBondContact O-N 3.03Å; S254-F258 WeakPolarHBondContact O-CB 3.45Å; S254-F258 PolarHBondContact O-N 2.86Å
255	N	88.3	Confident	86.6	Confident	41 Å²	41	39.3 Å²	39.3	22%	0.219	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-39.1	176.3	-76.6	-52.7	0	0	0	112.8	N251 F252 F253 F259 F337 L341	N251-N255 PolarHBondContact O-N 3.11Å; N251-N255 PolarHBondContact O-ND2 2.67Å; F252-N255 PolarHBondContact O-N 2.8Å; F253-N255 VanDerWaalsContact C-N 3.29Å; F253-N255 PolarHBondContact O-N 2.89Å; N255-F259 WeakPolarHBondContact O-CB 3.36Å; N255-F259 PolarHBondContact O-N 2.59Å; N255-F337 HydrophobicContact CB-CE2 4.24Å; N255-F337 HydrophobicContact CB-CZ 3.95Å; N255-L341 HydrophobicContact CB-CD1 3.75Å; N255-L341 HydrophobicContact CB-CD2 4.06Å
256	I	94.8	Very high	86.9	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-50.7	173.2	-71.5	161.7	0	0	0	110.5	L118 M240 F252 F253 S254 F258 F259 V260 F273 L282 L341	L118-I256 HydrophobicContact CD2-CD1 3.93Å; M240-I256 HydrophobicContact CE-CD1 3.29Å; M240-I256 HydrophobicContact CE-CG1 3.85Å; M240-I256 HydrophobicContact SD-CD1 4.16Å; F252-I256 HydrophobicContact CD2-CD1 3.52Å; F252-I256 HydrophobicContact CE2-CD1 3.93Å; F252-I256 VanDerWaalsContact O-CG1 3.24Å; F252-I256 WeakPolarHBondContact O-CG1 3.47Å; F252-I256 PolarHBondContact O-N 2.79Å; F253-I256 WeakPolarHBondContact O-CB 3.48Å; F253-I256 PolarHBondContact O-N 3.39Å; F253-I256 VanDerWaalsContact O-N 3.13Å; S254-I256 PolarHBondContact O-N 2.83Å; I256-F258 VanDerWaalsContact C-N 3.31Å; I256-F258 PolarHBondContact O-N 3.28Å; I256-F259 PolarHBondContact O-N 3.31Å; I256-F259 VanDerWaalsContact O-N 3.14Å; I256-V260 HydrophobicContact CG2-CG2 4.23Å; I256-V260 VanDerWaalsContact O-CG2 3.31Å; I256-V260 WeakPolarHBondContact O-CG2 3.31Å; I256-V260 PolarHBondContact O-N 2.84Å; I256-F273 HydrophobicContact CB-CE1 4.24Å; I256-F273 HydrophobicContact CB-CZ 4.02Å; I256-F273 HydrophobicContact CG1-CD1 4.04Å; I256-F273 HydrophobicContact CG1-CD2 4.33Å; I256-F273 HydrophobicContact CG1-CE1 3.64Å; I256-F273 HydrophobicContact CG1-CE2 3.97Å; I256-F273 HydrophobicContact CG1-CG 4.36Å; I256-F273 HydrophobicContact CG1-CZ 3.6Å; I256-F273 HydrophobicContact CG2-CE2 4.41Å; I256-F273 HydrophobicContact CG2-CZ 4.02Å; I256-L282 HydrophobicContact CG2-CD1 3.55Å; I256-L341 HydrophobicContact CG1-CD1 4.14Å
257	K	93.5	Very high	87.1	Confident	79 Å²	79	50 Å²	50	34%	0.343	25%	0.248	S	C	.	.	H	α-helix	trans	-58	-45.7	179.3	-78	-174.1	70.5	-178.6	0	111.4	Y117 F253 S254 F259 V260 Q261	Y117-K257 HydrophobicContact CD1-CG 4.07Å; Y117-K257 HydrophobicContact CE1-CD 4.35Å; Y117-K257 HydrophobicContact CE1-CG 3.54Å; F253-K257 HydrophobicContact CD1-CD 4.1Å; F253-K257 HydrophobicContact CE1-CD 3.44Å; F253-K257 VanDerWaalsContact CE1-CD 3.44Å; F253-K257 HydrophobicContact CE1-CG 4.14Å; F253-K257 HydrophobicContact CE2-CD 4.36Å; F253-K257 HydrophobicContact CE2-CG 4.28Å; F253-K257 HydrophobicContact CZ-CD 3.59Å; F253-K257 HydrophobicContact CZ-CG 3.99Å; F253-K257 PolarHBondContact O-N 2.95Å; S254-K257 PolarHBondContact O-N 3.03Å; K257-F259 PolarHBondContact O-N 3.14Å; K257-V260 PolarHBondContact O-N 2.81Å; K257-Q261 WeakPolarHBondContact O-CB 3.38Å; K257-Q261 PolarHBondContact O-N 3.07Å
258	F	90.3	Very high	88	Confident	107 Å²	107	48.1 Å²	48.1	47%	0.469	24%	0.235	S	C	.	.	H	α-helix	trans	-58.7	-46.7	175.5	173.2	-98.9	0	0	0	111.5	S254 I256 Q261 K262	S254-F258 WeakPolarHBondContact O-CB 3.45Å; S254-F258 PolarHBondContact O-N 2.86Å; I256-F258 VanDerWaalsContact C-N 3.31Å; I256-F258 PolarHBondContact O-N 3.28Å; F258-Q261 PolarHBondContact O-N 3.13Å; F258-K262 HydrophobicContact CE1-CD 4.47Å; F258-K262 WeakPolarHBondContact O-CB 3.45Å; F258-K262 PolarHBondContact O-N 3.39Å
259	F	92.6	Very high	88.6	Confident	9 Å²	9	48 Å²	48	4%	0.039	23%	0.234	C	C	.	.	H	α-helix	trans	-68.3	-38.8	-178	-164.8	-122	0	0	0	113	N255 I256 K257 Q261 K262 H263 L271 F273 F335 F337	N255-F259 WeakPolarHBondContact O-CB 3.36Å; N255-F259 PolarHBondContact O-N 2.59Å; I256-F259 PolarHBondContact O-N 3.31Å; I256-F259 VanDerWaalsContact O-N 3.14Å; K257-F259 PolarHBondContact O-N 3.14Å; F259-Q261 VanDerWaalsContact C-N 3.34Å; F259-K262 HydrophobicContact CD2-CD 4.3Å; F259-K262 PolarHBondContact O-N 3.03Å; F259-H263 AromaticContact CD2-CD2 3.84Å; F259-H263 AromaticContact CD2-NE2 4Å; F259-H263 AromaticContact CE1-CD2 3.96Å; F259-H263 AromaticContact CE2-CD2 3.55Å; F259-H263 AromaticContact CE2-NE2 3.3Å; F259-H263 VanDerWaalsContact CE2-NE2 3.3Å; F259-H263 WeakPolarHBondContact CE2-NE2 3.43Å; F259-H263 AromaticContact CZ-CD2 3.61Å; F259-H263 AromaticContact CZ-NE2 3.46Å; F259-H263 WeakPolarHBondContact CZ-NE2 3.45Å; F259-H263 PolarHBondContact O-CD2 2.85Å; F259-H263 PolarHBondContact O-N 3.18Å; F259-H263 VanDerWaalsContact O-N 3.13Å; F259-L271 HydrophobicContact CD1-CB 4.17Å; F259-L271 HydrophobicContact CD1-CD1 3.99Å; F259-L271 HydrophobicContact CD1-CD2 4.35Å; F259-L271 HydrophobicContact CD1-CG 4.4Å; F259-L271 HydrophobicContact CE1-CB 4.08Å; F259-L271 HydrophobicContact CE1-CD1 4.44Å; F259-L271 HydrophobicContact CE1-CD2 3.99Å; F259-L271 HydrophobicContact CE1-CG 4.39Å; F259-F273 HydrophobicContact CB-CE1 4.01Å; F259-F273 HydrophobicContact CB-CZ 4.22Å; F259-F273 AromaticContact CD1-CE1 3.8Å; F259-F273 HydrophobicContact CD1-CE1 3.8Å; F259-F273 AromaticContact CD1-CZ 3.73Å; F259-F273 HydrophobicContact CD1-CZ 3.73Å; F259-F273 HydrophobicContact CG-CE1 4.21Å; F259-F273 HydrophobicContact CG-CZ 4.41Å; F259-F335 HydrophobicContact CE1-CB 4.09Å; F259-F335 WeakPolarHBondContact CE1-O 3.29Å; F259-F335 HydrophobicContact CZ-CB 3.8Å; F259-F337 HydrophobicContact CB-CD2 3.79Å; F259-F337 HydrophobicContact CB-CE2 4.34Å; F259-F337 HydrophobicContact CD1-CB 4.04Å; F259-F337 HydrophobicContact CD1-CD2 4.27Å; F259-F337 HydrophobicContact CD2-CB 4.4Å; F259-F337 AromaticContact CD2-CD2 3.58Å; F259-F337 HydrophobicContact CD2-CD2 3.58Å; F259-F337 HydrophobicContact CD2-CE2 4.4Å; F259-F337 HydrophobicContact CD2-CG 4.47Å; F259-F337 HydrophobicContact CE1-CB 3.97Å; F259-F337 HydrophobicContact CE2-CB 4.33Å; F259-F337 HydrophobicContact CE2-CD2 4.15Å; F259-F337 HydrophobicContact CG-CB 4.25Å; F259-F337 AromaticContact CG-CD2 3.64Å; F259-F337 HydrophobicContact CG-CD2 3.64Å; F259-F337 HydrophobicContact CG-CG 4.43Å; F259-F337 HydrophobicContact CZ-CB 4.12Å
260	V	93.2	Very high	89.5	Confident	6 Å²	6	47.5 Å²	47.5	4%	0.036	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-44.8	171.9	170.7	0	0	0	0	110.6	Y117 Y238 I256 K257 H263 S264 L271 L282	Y117-V260 WeakPolarHBondContact OH-CG1 3.48Å; Y238-V260 HydrophobicContact CE1-CG1 4.16Å; Y238-V260 HydrophobicContact CE2-CG1 3.91Å; Y238-V260 VanDerWaalsContact OH-CG1 3.26Å; Y238-V260 WeakPolarHBondContact OH-CG1 3.5Å; I256-V260 HydrophobicContact CG2-CG2 4.23Å; I256-V260 VanDerWaalsContact O-CG2 3.31Å; I256-V260 WeakPolarHBondContact O-CG2 3.31Å; I256-V260 PolarHBondContact O-N 2.84Å; K257-V260 PolarHBondContact O-N 2.81Å; V260-H263 CarbonylContact O-C 3.32Å; V260-H263 PolarHBondContact O-N 2.84Å; V260-S264 PolarHBondContact O-N 3.17Å; V260-S264 VanDerWaalsContact O-N 3.07Å; V260-L271 HydrophobicContact CB-CD1 4.36Å; V260-L271 HydrophobicContact CG2-CD1 3.67Å; V260-L282 HydrophobicContact CG2-CD1 4.3Å; V260-L282 HydrophobicContact CG2-CD2 4.43Å
261	Q	89.9	Confident	90.6	Very high	104 Å²	104	43 Å²	43	49%	0.486	21%	0.209	S	C	.	.	H	α-helix	trans	-66.3	-39.8	178.2	-175.8	177.1	-1.3	0	0	112	A15 K257 F258 F259 H263 S264	A15-Q261 HydrophobicContact CB-CG 4.46Å; K257-Q261 WeakPolarHBondContact O-CB 3.38Å; K257-Q261 PolarHBondContact O-N 3.07Å; F258-Q261 PolarHBondContact O-N 3.13Å; F259-Q261 VanDerWaalsContact C-N 3.34Å; Q261-H263 PolarHBondContact O-N 3.47Å; Q261-S264 VanDerWaalsContact O-CB 3.29Å; Q261-S264 WeakPolarHBondContact O-CB 3.39Å; Q261-S264 PolarHBondContact O-N 2.91Å; Q261-S264 VanDerWaalsContact O-N 3.14Å; Q261-S264 PolarHBondContact O-OG 3.32Å
262	K	87.6	Confident	91.5	Very high	128 Å²	128	43 Å²	43	56%	0.557	21%	0.207	S	C	*	.	H	α-helix	trans	-56.9	-38.4	174.6	179.8	-178.1	177	-177.9	0	111.5	F258 F259	F258-K262 HydrophobicContact CE1-CD 4.47Å; F258-K262 WeakPolarHBondContact O-CB 3.45Å; F258-K262 PolarHBondContact O-N 3.39Å; F259-K262 HydrophobicContact CD2-CD 4.3Å; F259-K262 PolarHBondContact O-N 3.03Å
263	H	90.7	Very high	91.8	Very high	15 Å²	15	43 Å²	43	7%	0.069	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	21.5	179.5	-69.2	-64.4	0	0	0	113.4	F259 V260 Q261 V265 D266 W268 L271 F335	F259-H263 AromaticContact CD2-CD2 3.84Å; F259-H263 AromaticContact CD2-NE2 4Å; F259-H263 AromaticContact CE1-CD2 3.96Å; F259-H263 AromaticContact CE2-CD2 3.55Å; F259-H263 AromaticContact CE2-NE2 3.3Å; F259-H263 VanDerWaalsContact CE2-NE2 3.3Å; F259-H263 WeakPolarHBondContact CE2-NE2 3.43Å; F259-H263 AromaticContact CZ-CD2 3.61Å; F259-H263 AromaticContact CZ-NE2 3.46Å; F259-H263 WeakPolarHBondContact CZ-NE2 3.45Å; F259-H263 PolarHBondContact O-CD2 2.85Å; F259-H263 PolarHBondContact O-N 3.18Å; F259-H263 VanDerWaalsContact O-N 3.13Å; V260-H263 CarbonylContact O-C 3.32Å; V260-H263 PolarHBondContact O-N 2.84Å; Q261-H263 PolarHBondContact O-N 3.47Å; H263-V265 VanDerWaalsContact C-N 3.27Å; H263-V265 PolarHBondContact O-N 3.33Å; H263-D266 WeakPolarHBondContact CA-OD2 3.47Å; H263-D266 HydrophobicContact CB-CB 4.3Å; H263-D266 IonicContact CE1-OD2 2.69Å; H263-D266 IonicContact CG-OD2 3.79Å; H263-D266 IonicContact ND1-OD2 2.92Å; H263-D266 PolarHBondContact ND1-OD2 3.38Å; H263-D266 PolarHBondContact O-N 2.9Å; H263-W268 PolarHBondContact O-NE1 2.99Å; H263-W268 VanDerWaalsContact O-NE1 3.12Å; H263-L271 HydrophobicContact CB-CD2 4.35Å; H263-F335 AromaticContact CE1-CD1 3.32Å; H263-F335 WeakPolarHBondContact CE1-CD1 3.4Å; H263-F335 AromaticContact CE1-CE1 3.74Å; H263-F335 AromaticContact CE1-CG 3.48Å; H263-F335 VanDerWaalsContact CE1-CG 3.48Å; H263-F335 WeakPolarHBondContact CE1-CG 3.39Å; H263-F335 AromaticContact ND1-CD1 3.84Å; H263-F335 AromaticContact ND1-CD2 3.78Å; H263-F335 AromaticContact ND1-CE1 3.99Å; H263-F335 AromaticContact ND1-CE2 3.95Å; H263-F335 AromaticContact ND1-CG 3.73Å; H263-F335 AromaticContact NE2-CD1 3.9Å; H263-F335 AromaticContact NE2-CG 3.75Å
264	S	87.5	Confident	91.6	Very high	22 Å²	22	43 Å²	43	15%	0.154	21%	0.208	C	C	.	.	S	Bend	trans	-65.9	-31.6	-176.1	64.8	0	0	0	0	112.8	A15 A18 V260 Q261	A15-S264 WeakPolarHBondContact CA-OG 3.37Å; A15-S264 PolarHBondContact O-OG 3.48Å; A18-S264 WeakPolarHBondContact CB-O 3.47Å; V260-S264 PolarHBondContact O-N 3.17Å; V260-S264 VanDerWaalsContact O-N 3.07Å; Q261-S264 VanDerWaalsContact O-CB 3.29Å; Q261-S264 WeakPolarHBondContact O-CB 3.39Å; Q261-S264 PolarHBondContact O-N 2.91Å; Q261-S264 VanDerWaalsContact O-N 3.14Å; Q261-S264 PolarHBondContact O-OG 3.32Å
265	V	86.1	Confident	91.4	Very high	86 Å²	86	44.9 Å²	44.9	52%	0.521	22%	0.221	S	C	.	.	S	Bend	trans	-85.3	-16.6	178.1	-63.3	0	0	0	0	113	I14 A18 H263	I14-V265 HydrophobicContact CG2-CG1 3.47Å; I14-V265 VanDerWaalsContact CG2-CG1 3.47Å; A18-V265 HydrophobicContact CB-CG1 4.09Å; H263-V265 VanDerWaalsContact C-N 3.27Å; H263-V265 PolarHBondContact O-N 3.33Å
266	D	89.5	Confident	91.2	Very high	59 Å²	59	44.2 Å²	44.2	32%	0.316	22%	0.217	S	C	.	.	S	Bend	trans	-80.5	142.3	-177.3	-64.1	-57.4	0	0	0	111.1	H263 W268 F335	H263-D266 WeakPolarHBondContact CA-OD2 3.47Å; H263-D266 HydrophobicContact CB-CB 4.3Å; H263-D266 IonicContact CE1-OD2 2.69Å; H263-D266 IonicContact CG-OD2 3.79Å; H263-D266 IonicContact ND1-OD2 2.92Å; H263-D266 PolarHBondContact ND1-OD2 3.38Å; H263-D266 PolarHBondContact O-N 2.9Å; D266-W268 VanDerWaalsContact O-CD1 3.24Å; D266-W268 PolarHBondContact O-N 2.92Å; D266-F335 HydrophobicContact CB-CE2 3.85Å; D266-F335 HydrophobicContact CB-CZ 4.11Å
267	K	89.6	Confident	90.8	Very high	170 Å²	170	45.9 Å²	45.9	74%	0.739	23%	0.234	S	C	*	.			trans	-81.9	52.6	174.3	-66	-175.2	179	178.5	0	111.7	R333	K267-R333 WeakPolarHBondContact O-CD 3.38Å; K267-R333 PolarHBondContact O-NH1 3.48Å
268	W	94.5	Very high	90.6	Very high	9 Å²	9	42.1 Å²	42.1	3%	0.034	22%	0.218	C	C	.	.			trans	-69.9	150.8	-179.6	60.1	-92.8	0	0	0	112.5	Y238 H263 D266 L271 L282 R284 R333 F335	Y238-W268 HydrophobicContact CD1-CH2 4.03Å; Y238-W268 AromaticContact CE1-CH2 3.8Å; Y238-W268 HydrophobicContact CE1-CH2 3.8Å; Y238-W268 AromaticContact CE1-CZ2 3.88Å; Y238-W268 HydrophobicContact CE1-CZ2 3.88Å; H263-W268 PolarHBondContact O-NE1 2.99Å; H263-W268 VanDerWaalsContact O-NE1 3.12Å; D266-W268 VanDerWaalsContact O-CD1 3.24Å; D266-W268 PolarHBondContact O-N 2.92Å; W268-L271 HydrophobicContact CB-CD2 4.19Å; W268-L271 HydrophobicContact CD2-CD1 4.33Å; W268-L271 HydrophobicContact CD2-CD2 3.82Å; W268-L271 HydrophobicContact CD2-CG 3.85Å; W268-L271 HydrophobicContact CE3-CD1 4.5Å; W268-L271 HydrophobicContact CE3-CD2 4.07Å; W268-L271 HydrophobicContact CE3-CG 3.75Å; W268-L271 HydrophobicContact CG-CD2 3.91Å; W268-L271 HydrophobicContact CG-CG 4.47Å; W268-L271 HydrophobicContact CH2-CD1 4.2Å; W268-L271 HydrophobicContact CH2-CG 4.2Å; W268-L271 HydrophobicContact CZ2-CD1 4.01Å; W268-L271 HydrophobicContact CZ2-CG 4.29Å; W268-L271 HydrophobicContact CZ3-CD1 4.45Å; W268-L271 HydrophobicContact CZ3-CG 3.94Å; W268-L282 HydrophobicContact CH2-CD2 3.63Å; W268-L282 HydrophobicContact CZ3-CD2 4Å; W268-R284 VanDerWaalsContact CE2-NH1 3.26Å; W268-R284 VanDerWaalsContact CE2-NH2 3.25Å; W268-R284 HydrophobicContact CH2-CG 3.56Å; W268-R284 HydrophobicContact CZ2-CG 4.16Å; W268-R284 VanDerWaalsContact CZ2-CZ 3.4Å; W268-R284 HydrophobicContact CZ3-CG 4.03Å; W268-R284 VanDerWaalsContact NE1-NH2 3.17Å; W268-R284 PolarHBondContact O-NH1 3.41Å; W268-R333 CarbonylContact C-O 3.28Å; W268-R333 WeakPolarHBondContact CA-O 3.46Å; W268-F335 HydrophobicContact CB-CD2 3.64Å; W268-F335 HydrophobicContact CB-CE2 3.7Å
269	F	94.5	Very high	90.6	Very high	10 Å²	10	37.5 Å²	37.5	4%	0.044	20%	0.198	C	C	.	.	S	Bend	trans	-100	-39.8	172.3	178.8	-101.6	0	0	0	111.9	F283 L311 L312 F316 R333	F269-F283 HydrophobicContact CE1-CD1 4.37Å; F269-F283 AromaticContact CE1-CE1 3.98Å; F269-F283 HydrophobicContact CE1-CE1 3.98Å; F269-L311 HydrophobicContact CE1-CD2 4.19Å; F269-L311 HydrophobicContact CZ-CD2 3.9Å; F269-L312 HydrophobicContact CD1-CD2 3.55Å; F269-L312 HydrophobicContact CE1-CD2 3.98Å; F269-L312 HydrophobicContact CG-CD2 4.48Å; F269-F316 HydrophobicContact CB-CE2 3.93Å; F269-F316 HydrophobicContact CB-CZ 3.74Å; F269-F316 HydrophobicContact CD1-CE2 4.48Å; F269-F316 HydrophobicContact CD2-CZ 4.46Å; F269-F316 HydrophobicContact CG-CE2 4.17Å; F269-F316 HydrophobicContact CG-CZ 4.1Å; F269-R333 PolarHBondContact N-O 2.86Å
270	M	95.8	Very high	90.8	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.6	-178.5	-178.7	177.2	67.7	0	0	109.9	E272 K281 L282 F283 L308 L312 V334 F335	M270-E272 HydrophobicContact CE-CG 3.69Å; M270-E272 WeakPolarHBondContact CE-OE1 3.03Å; M270-E272 HydrophobicContact CG-CG 4.41Å; M270-E272 HydrophobicContact SD-CG 4.48Å; M270-K281 HydrophobicContact CE-CD 4.21Å; M270-K281 HydrophobicContact CG-CB 4.32Å; M270-K281 HydrophobicContact SD-CB 3.75Å; M270-K281 HydrophobicContact SD-CD 3.87Å; M270-K281 HydrophobicContact SD-CG 3.99Å; M270-L282 WeakPolarHBondContact CA-O 3.43Å; M270-F283 HydrophobicContact CB-CD1 4.19Å; M270-F283 HydrophobicContact CB-CE1 3.83Å; M270-F283 HydrophobicContact CG-CD1 4.19Å; M270-F283 HydrophobicContact CG-CE1 3.66Å; M270-F283 HydrophobicContact CG-CZ 3.86Å; M270-F283 HydrophobicContact SD-CE1 3.59Å; M270-F283 VanDerWaalsContact SD-CE1 3.59Å; M270-F283 HydrophobicContact SD-CE2 4.29Å; M270-F283 HydrophobicContact SD-CZ 3.38Å; M270-F283 WeakPolarHBondContact SD-CZ 3.37Å; M270-L308 HydrophobicContact CE-CD2 4.32Å; M270-L308 HydrophobicContact SD-CD1 4.18Å; M270-L308 HydrophobicContact SD-CD2 3.87Å; M270-L308 HydrophobicContact SD-CG 4.49Å; M270-L312 HydrophobicContact CE-CD1 4.09Å; M270-V334 HydrophobicContact CB-CG1 4.48Å; M270-V334 HydrophobicContact CB-CG2 4.37Å; M270-V334 HydrophobicContact CE-CB 4.45Å; M270-V334 HydrophobicContact CE-CG1 3.41Å; M270-V334 VanDerWaalsContact CE-CG1 3.41Å; M270-V334 HydrophobicContact CE-CG2 4.16Å; M270-V334 WeakPolarHBondContact O-CA 3.19Å; M270-F335 PolarHBondContact O-N 3.45Å
271	L	97.2	Very high	91	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.4	165.5	-55.7	179.3	0	0	0	108.6	F259 V260 H263 W268 F273 L282 F335	F259-L271 HydrophobicContact CD1-CB 4.17Å; F259-L271 HydrophobicContact CD1-CD1 3.99Å; F259-L271 HydrophobicContact CD1-CD2 4.35Å; F259-L271 HydrophobicContact CD1-CG 4.4Å; F259-L271 HydrophobicContact CE1-CB 4.08Å; F259-L271 HydrophobicContact CE1-CD1 4.44Å; F259-L271 HydrophobicContact CE1-CD2 3.99Å; F259-L271 HydrophobicContact CE1-CG 4.39Å; V260-L271 HydrophobicContact CB-CD1 4.36Å; V260-L271 HydrophobicContact CG2-CD1 3.67Å; H263-L271 HydrophobicContact CB-CD2 4.35Å; W268-L271 HydrophobicContact CB-CD2 4.19Å; W268-L271 HydrophobicContact CD2-CD1 4.33Å; W268-L271 HydrophobicContact CD2-CD2 3.82Å; W268-L271 HydrophobicContact CD2-CG 3.85Å; W268-L271 HydrophobicContact CE3-CD1 4.5Å; W268-L271 HydrophobicContact CE3-CD2 4.07Å; W268-L271 HydrophobicContact CE3-CG 3.75Å; W268-L271 HydrophobicContact CG-CD2 3.91Å; W268-L271 HydrophobicContact CG-CG 4.47Å; W268-L271 HydrophobicContact CH2-CD1 4.2Å; W268-L271 HydrophobicContact CH2-CG 4.2Å; W268-L271 HydrophobicContact CZ2-CD1 4.01Å; W268-L271 HydrophobicContact CZ2-CG 4.29Å; W268-L271 HydrophobicContact CZ3-CD1 4.45Å; W268-L271 HydrophobicContact CZ3-CG 3.94Å; L271-F273 HydrophobicContact CB-CE2 4.1Å; L271-F273 HydrophobicContact CB-CZ 4.43Å; L271-L282 HydrophobicContact CB-CB 4.28Å; L271-L282 HydrophobicContact CB-CD2 4.42Å; L271-L282 HydrophobicContact CD1-CD2 4.3Å; L271-L282 HydrophobicContact CG-CD2 4.49Å; L271-L282 PolarHBondContact N-O 3.26Å; L271-L282 PolarHBondContact O-N 3.14Å; L271-F335 CarbonylContact C-O 3.54Å; L271-F335 WeakPolarHBondContact CA-O 3.42Å; L271-F335 HydrophobicContact CD2-CB 3.81Å; L271-F335 HydrophobicContact CD2-CD2 4.06Å; L271-F335 HydrophobicContact CD2-CG 4.41Å
272	E	95.3	Very high	91.3	Very high	30 Å²	30	32 Å²	32	14%	0.14	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.4	-176.2	-53.5	-173.6	127.1	0	0	110.9	M270 K281 V334 F335 T336 F337	M270-E272 HydrophobicContact CE-CG 3.69Å; M270-E272 WeakPolarHBondContact CE-OE1 3.03Å; M270-E272 HydrophobicContact CG-CG 4.41Å; M270-E272 HydrophobicContact SD-CG 4.48Å; E272-K281 HydrophobicContact CB-CD 4.3Å; E272-K281 HydrophobicContact CG-CD 3.88Å; E272-K281 IonicContact OE1-NZ 3.32Å; E272-K281 PolarHBondContact OE1-NZ 3.37Å; E272-V334 HydrophobicContact CG-CG1 3.68Å; E272-F335 PolarHBondContact N-O 3.38Å; E272-T336 HydrophobicContact CB-CG2 4.1Å; E272-T336 CarbonylContact O-C 3.58Å; E272-T336 WeakPolarHBondContact O-CA 3.46Å; E272-T336 PolarHBondContact OE2-OG1 3.11Å; E272-F337 PolarHBondContact O-N 3.41Å
273	F	94.8	Very high	91.8	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-115.4	5.8	173.9	-57.7	-88.6	0	0	0	112.2	M240 I256 F259 L271 A280 L282 F337 S340 L341 F342	M240-F273 HydrophobicContact CE-CD2 3.45Å; M240-F273 VanDerWaalsContact CE-CD2 3.45Å; M240-F273 HydrophobicContact CE-CE2 3.7Å; M240-F273 HydrophobicContact CE-CG 4.26Å; I256-F273 HydrophobicContact CB-CE1 4.24Å; I256-F273 HydrophobicContact CB-CZ 4.02Å; I256-F273 HydrophobicContact CG1-CD1 4.04Å; I256-F273 HydrophobicContact CG1-CD2 4.33Å; I256-F273 HydrophobicContact CG1-CE1 3.64Å; I256-F273 HydrophobicContact CG1-CE2 3.97Å; I256-F273 HydrophobicContact CG1-CG 4.36Å; I256-F273 HydrophobicContact CG1-CZ 3.6Å; I256-F273 HydrophobicContact CG2-CE2 4.41Å; I256-F273 HydrophobicContact CG2-CZ 4.02Å; F259-F273 HydrophobicContact CB-CE1 4.01Å; F259-F273 HydrophobicContact CB-CZ 4.22Å; F259-F273 AromaticContact CD1-CE1 3.8Å; F259-F273 HydrophobicContact CD1-CE1 3.8Å; F259-F273 AromaticContact CD1-CZ 3.73Å; F259-F273 HydrophobicContact CD1-CZ 3.73Å; F259-F273 HydrophobicContact CG-CE1 4.21Å; F259-F273 HydrophobicContact CG-CZ 4.41Å; L271-F273 HydrophobicContact CB-CE2 4.1Å; L271-F273 HydrophobicContact CB-CZ 4.43Å; F273-A280 HydrophobicContact CB-CB 3.97Å; F273-A280 PolarHBondContact N-O 3.03Å; F273-L282 HydrophobicContact CD2-CB 4.34Å; F273-L282 HydrophobicContact CE2-CB 3.81Å; F273-L282 HydrophobicContact CE2-CD1 3.87Å; F273-L282 HydrophobicContact CE2-CG 4.46Å; F273-L282 HydrophobicContact CZ-CD1 4.44Å; F273-F337 HydrophobicContact CD1-CB 3.45Å; F273-F337 VanDerWaalsContact CD1-CB 3.45Å; F273-F337 HydrophobicContact CD1-CD1 4.28Å; F273-F337 HydrophobicContact CD1-CD2 4.42Å; F273-F337 AromaticContact CD1-CG 3.81Å; F273-F337 HydrophobicContact CD1-CG 3.81Å; F273-F337 HydrophobicContact CE1-CB 3.73Å; F273-F337 HydrophobicContact CE1-CD2 4.16Å; F273-F337 AromaticContact CE1-CG 3.99Å; F273-F337 HydrophobicContact CE1-CG 3.99Å; F273-F337 HydrophobicContact CG-CB 4.32Å; F273-S340 WeakPolarHBondContact O-CA 3.3Å; F273-S340 WeakPolarHBondContact O-CB 3.24Å; F273-S340 PolarHBondContact O-OG 3.04Å; F273-L341 HydrophobicContact CB-CB 4.3Å; F273-L341 HydrophobicContact CB-CD1 4.38Å; F273-L341 HydrophobicContact CB-CG 4.45Å; F273-L341 HydrophobicContact CD1-CD1 3.41Å; F273-L341 VanDerWaalsContact CD1-CD1 3.41Å; F273-L341 HydrophobicContact CD1-CG 4.05Å; F273-L341 HydrophobicContact CE1-CD1 4.02Å; F273-L341 HydrophobicContact CG-CD1 4.18Å; F273-L341 PolarHBondContact O-N 3.34Å; F273-L341 VanDerWaalsContact O-N 3.08Å; F273-F342 HydrophobicContact CB-CD2 3.8Å; F273-F342 HydrophobicContact CB-CE2 3.74Å; F273-F342 HydrophobicContact CG-CE2 4.44Å
274	S	89.9	Confident	92.1	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.014	15%	0.145	C	C	.	.			trans	-149.1	138.7	168.4	172.9	0	0	0	0	107.3	L276 I279 K281 E360	S274-L276 VanDerWaalsContact C-N 3.33Å; S274-L276 PolarHBondContact OG-N 2.92Å; S274-L276 VanDerWaalsContact OG-N 3.11Å; S274-I279 WeakPolarHBondContact CB-O 3.46Å; S274-K281 PolarHBondContact O-NZ 2.76Å; S274-E360 PolarHBondContact OG-OE1 3.09Å; S274-E360 VanDerWaalsContact OG-OE1 3.05Å
275	S	83.4	Confident	92.5	Very high	65 Å²	65	24.9 Å²	24.9	46%	0.455	14%	0.137	S	C	.	.	S	Bend	trans	-77.7	-15.7	168.8	65.6	0	0	0	0	113.3	E360	S275-E360 VanDerWaalsContact CA-OE1 3.28Å; S275-E360 WeakPolarHBondContact CA-OE1 3.34Å; S275-E360 WeakPolarHBondContact CB-OE1 3.22Å; S275-E360 PolarHBondContact N-OE1 2.81Å; S275-E360 VanDerWaalsContact OG-CD 3.26Å; S275-E360 PolarHBondContact OG-OE1 2.93Å; S275-E360 PolarHBondContact OG-OE2 2.98Å
276	L	84.3	Confident	92.8	Very high	27 Å²	27	24.4 Å²	24.4	14%	0.141	13%	0.126	C	C	.	.	S	Bend	trans	-77.2	128.4	179.8	-56.4	-178.3	0	0	0	112.8	S274 I279 H344 L358 E360	S274-L276 VanDerWaalsContact C-N 3.33Å; S274-L276 PolarHBondContact OG-N 2.92Å; S274-L276 VanDerWaalsContact OG-N 3.11Å; L276-I279 HydrophobicContact CB-CD1 4.31Å; L276-I279 WeakPolarHBondContact O-CB 3.07Å; L276-I279 PolarHBondContact O-N 3.43Å; L276-I279 VanDerWaalsContact O-N 3.09Å; L276-H344 HydrophobicContact CD1-CB 4.3Å; L276-L358 HydrophobicContact CD1-CB 4.34Å; L276-L358 HydrophobicContact CD2-CB 4.22Å; L276-E360 HydrophobicContact CD1-CG 4.2Å; L276-E360 HydrophobicContact CG-CG 4.16Å; L276-E360 WeakPolarHBondContact CG-OE1 3.47Å; L276-E360 PolarHBondContact N-OE1 2.97Å; L276-E360 VanDerWaalsContact N-OE1 3.11Å
277	G	85.4	Confident	93	Very high	34 Å²	34	22.8 Å²	22.8	35%	0.351	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	-138	166.2	0	0	0	0	0	114.5	I279 K281 D305	G277-I279 VanDerWaalsContact C-N 3.32Å; G277-K281 WeakPolarHBondContact O-CE 3.3Å; G277-K281 PolarHBondContact O-NZ 2.74Å; G277-D305 WeakPolarHBondContact CA-OD2 3.29Å
278	F	90.8	Very high	93.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	33.1	168.5	-150	-56.5	0	0	0	110.8	Y225 M229 Q241 K281 F283 L291 I295 V304 D305 L308	Y225-F278 HydrophobicContact CE2-CB 4.27Å; Y225-F278 HydrophobicContact CE2-CG 4.37Å; M229-F278 HydrophobicContact CE-CZ 4.46Å; M229-F278 HydrophobicContact SD-CZ 4.44Å; Q241-F278 HydrophobicContact CB-CD1 3.78Å; Q241-F278 HydrophobicContact CB-CE1 3.83Å; Q241-F278 HydrophobicContact CG-CD1 3.65Å; Q241-F278 HydrophobicContact CG-CE1 3.95Å; Q241-F278 WeakPolarHBondContact CG-O 3.33Å; F278-K281 HydrophobicContact CD1-CB 4.17Å; F278-K281 HydrophobicContact CD1-CG 4.02Å; F278-K281 HydrophobicContact CE1-CB 4.45Å; F278-K281 HydrophobicContact CG-CG 4.48Å; F278-F283 AromaticContact CE1-CE2 3.72Å; F278-F283 HydrophobicContact CE1-CE2 3.72Å; F278-F283 HydrophobicContact CE1-CZ 4.13Å; F278-F283 HydrophobicContact CZ-CE2 4.15Å; F278-F283 HydrophobicContact CZ-CZ 4.21Å; F278-L291 HydrophobicContact CZ-CD1 4.48Å; F278-L291 HydrophobicContact CZ-CD2 3.9Å; F278-I295 HydrophobicContact CE2-CD1 4.4Å; F278-V304 HydrophobicContact CB-CG1 4.06Å; F278-V304 HydrophobicContact CD2-CB 4.24Å; F278-V304 HydrophobicContact CD2-CG1 3.91Å; F278-V304 HydrophobicContact CD2-CG2 3.63Å; F278-V304 HydrophobicContact CE2-CG2 3.58Å; F278-V304 HydrophobicContact CG-CG1 4.3Å; F278-V304 HydrophobicContact CZ-CG2 4.46Å; F278-D305 WeakPolarHBondContact CB-OD1 3.41Å; F278-D305 PolarHBondContact N-OD1 3.12Å; F278-L308 HydrophobicContact CD1-CD2 4.39Å; F278-L308 HydrophobicContact CD2-CB 3.82Å; F278-L308 HydrophobicContact CD2-CD2 3.65Å; F278-L308 HydrophobicContact CD2-CG 4.31Å; F278-L308 HydrophobicContact CE2-CB 3.8Å; F278-L308 HydrophobicContact CE2-CD1 4.4Å; F278-L308 HydrophobicContact CE2-CD2 3.87Å; F278-L308 HydrophobicContact CE2-CG 4.23Å; F278-L308 HydrophobicContact CG-CD2 3.97Å; F278-L308 HydrophobicContact CZ-CD2 4.39Å
279	I	90.7	Very high	93.2	Very high	10 Å²	10	15.8 Å²	15.8	5%	0.051	9%	0.092	C	C	.	.	S	Bend	trans	-92.4	138.9	177.7	-53.2	174.5	0	0	0	109.2	E243 L246 S274 L276 G277 K281 H344	E243-I279 HydrophobicContact CG-CD1 4.4Å; E243-I279 HydrophobicContact CG-CG1 3.98Å; E243-I279 WeakPolarHBondContact OE2-CD1 3.35Å; L246-I279 HydrophobicContact CD2-CG2 3.56Å; S274-I279 WeakPolarHBondContact CB-O 3.46Å; L276-I279 HydrophobicContact CB-CD1 4.31Å; L276-I279 WeakPolarHBondContact O-CB 3.07Å; L276-I279 PolarHBondContact O-N 3.43Å; L276-I279 VanDerWaalsContact O-N 3.09Å; G277-I279 VanDerWaalsContact C-N 3.32Å; I279-K281 WeakPolarHBondContact O-CD 3.46Å; I279-K281 WeakPolarHBondContact O-CE 3.28Å; I279-K281 PolarHBondContact O-N 2.97Å; I279-H344 HydrophobicContact CD1-CB 4.42Å
280	A	95.7	Very high	93.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	51.9	41.6	176.1	0	0	0	0	0	113.6	Q241 L242 F273 F342	Q241-A280 VanDerWaalsContact O-CA 3.24Å; Q241-A280 WeakPolarHBondContact O-CA 3.4Å; Q241-A280 PolarHBondContact O-N 3.02Å; L242-A280 HydrophobicContact CD2-CB 3.79Å; F273-A280 HydrophobicContact CB-CB 3.97Å; F273-A280 PolarHBondContact N-O 3.03Å; A280-F342 HydrophobicContact CB-CB 4.24Å; A280-F342 HydrophobicContact CB-CD2 3.34Å; A280-F342 HydrophobicContact CB-CE2 3.85Å; A280-F342 HydrophobicContact CB-CG 3.94Å
281	K	96.9	Very high	93.1	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.017	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.7	174.6	-53.5	-53.5	178	-178.6	0	109.1	M240 Q241 M270 E272 S274 G277 F278 I279 F283 L308	M240-K281 WeakPolarHBondContact CA-O 3.37Å; Q241-K281 PolarHBondContact N-O 3.37Å; M270-K281 HydrophobicContact CE-CD 4.21Å; M270-K281 HydrophobicContact CG-CB 4.32Å; M270-K281 HydrophobicContact SD-CB 3.75Å; M270-K281 HydrophobicContact SD-CD 3.87Å; M270-K281 HydrophobicContact SD-CG 3.99Å; E272-K281 HydrophobicContact CB-CD 4.3Å; E272-K281 HydrophobicContact CG-CD 3.88Å; E272-K281 IonicContact OE1-NZ 3.32Å; E272-K281 PolarHBondContact OE1-NZ 3.37Å; S274-K281 PolarHBondContact O-NZ 2.76Å; G277-K281 WeakPolarHBondContact O-CE 3.3Å; G277-K281 PolarHBondContact O-NZ 2.74Å; F278-K281 HydrophobicContact CD1-CB 4.17Å; F278-K281 HydrophobicContact CD1-CG 4.02Å; F278-K281 HydrophobicContact CE1-CB 4.45Å; F278-K281 HydrophobicContact CG-CG 4.48Å; I279-K281 WeakPolarHBondContact O-CD 3.46Å; I279-K281 WeakPolarHBondContact O-CE 3.28Å; I279-K281 PolarHBondContact O-N 2.97Å; K281-F283 HydrophobicContact CB-CE2 3.58Å; K281-F283 HydrophobicContact CB-CZ 3.93Å; K281-L308 HydrophobicContact CG-CD2 4.24Å
282	L	98	Very high	93	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.1	179.9	-175	153.7	0	0	0	110.7	L118 Y238 Y239 M240 I256 V260 W268 M270 L271 F273	L118-L282 HydrophobicContact CD1-CD1 4.1Å; Y238-L282 HydrophobicContact CD1-CD2 3.8Å; Y238-L282 HydrophobicContact CG-CD2 4.19Å; Y239-L282 CarbonylContact O-C 3.59Å; Y239-L282 VanDerWaalsContact O-CA 3.29Å; Y239-L282 WeakPolarHBondContact O-CA 3.44Å; M240-L282 HydrophobicContact CE-CB 4.1Å; M240-L282 HydrophobicContact CE-CD1 3.89Å; I256-L282 HydrophobicContact CG2-CD1 3.55Å; V260-L282 HydrophobicContact CG2-CD1 4.3Å; V260-L282 HydrophobicContact CG2-CD2 4.43Å; W268-L282 HydrophobicContact CH2-CD2 3.63Å; W268-L282 HydrophobicContact CZ3-CD2 4Å; M270-L282 WeakPolarHBondContact CA-O 3.43Å; L271-L282 HydrophobicContact CB-CB 4.28Å; L271-L282 HydrophobicContact CB-CD2 4.42Å; L271-L282 HydrophobicContact CD1-CD2 4.3Å; L271-L282 HydrophobicContact CG-CD2 4.49Å; L271-L282 PolarHBondContact N-O 3.26Å; L271-L282 PolarHBondContact O-N 3.14Å; F273-L282 HydrophobicContact CD2-CB 4.34Å; F273-L282 HydrophobicContact CE2-CB 3.81Å; F273-L282 HydrophobicContact CE2-CD1 3.87Å; F273-L282 HydrophobicContact CE2-CG 4.46Å; F273-L282 HydrophobicContact CZ-CD1 4.44Å
283	F	97.6	Very high	92.9	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	158.4	177.2	-57.2	-85.6	0	0	0	110.2	Y238 Y239 F269 M270 F278 K281 L288 L291 L308	Y238-F283 WeakPolarHBondContact CA-O 3.37Å; Y239-F283 HydrophobicContact CD1-CD2 4.32Å; Y239-F283 PolarHBondContact N-O 2.98Å; Y239-F283 PolarHBondContact O-N 3.25Å; F269-F283 HydrophobicContact CE1-CD1 4.37Å; F269-F283 AromaticContact CE1-CE1 3.98Å; F269-F283 HydrophobicContact CE1-CE1 3.98Å; M270-F283 HydrophobicContact CB-CD1 4.19Å; M270-F283 HydrophobicContact CB-CE1 3.83Å; M270-F283 HydrophobicContact CG-CD1 4.19Å; M270-F283 HydrophobicContact CG-CE1 3.66Å; M270-F283 HydrophobicContact CG-CZ 3.86Å; M270-F283 HydrophobicContact SD-CE1 3.59Å; M270-F283 VanDerWaalsContact SD-CE1 3.59Å; M270-F283 HydrophobicContact SD-CE2 4.29Å; M270-F283 HydrophobicContact SD-CZ 3.38Å; M270-F283 WeakPolarHBondContact SD-CZ 3.37Å; F278-F283 AromaticContact CE1-CE2 3.72Å; F278-F283 HydrophobicContact CE1-CE2 3.72Å; F278-F283 HydrophobicContact CE1-CZ 4.13Å; F278-F283 HydrophobicContact CZ-CE2 4.15Å; F278-F283 HydrophobicContact CZ-CZ 4.21Å; K281-F283 HydrophobicContact CB-CE2 3.58Å; K281-F283 HydrophobicContact CB-CZ 3.93Å; F283-L288 HydrophobicContact CB-CD2 3.75Å; F283-L288 HydrophobicContact CD2-CD2 4.31Å; F283-L288 HydrophobicContact CG-CD2 4.15Å; F283-L291 HydrophobicContact CD1-CD2 4Å; F283-L291 HydrophobicContact CD2-CD2 4.18Å; F283-L291 HydrophobicContact CE1-CD2 3.67Å; F283-L291 HydrophobicContact CE2-CD2 3.87Å; F283-L291 HydrophobicContact CG-CD2 4.23Å; F283-L291 HydrophobicContact CZ-CD2 3.59Å; F283-L308 HydrophobicContact CE1-CD1 4.19Å; F283-L308 HydrophobicContact CZ-CD1 3.97Å; F283-L308 HydrophobicContact CZ-CD2 4.42Å
284	R	96.4	Very high	92.9	Very high	14 Å²	14	25 Å²	25	5%	0.053	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	137.2	164.8	-60.9	170.8	168.3	98.8	-9.5	108.7	E22 Y238 W268 R286 T287 L288	E22-R284 WeakPolarHBondContact OE1-CD 3.19Å; E22-R284 IonicContact OE1-NE 3.77Å; E22-R284 PolarHBondContact OE1-NE 3.29Å; E22-R284 IonicContact OE2-CZ 2.82Å; E22-R284 VanDerWaalsContact OE2-CZ 3.27Å; E22-R284 IonicContact OE2-NE 3.96Å; E22-R284 PolarHBondContact OE2-NE 3.38Å; E22-R284 IonicContact OE2-NH2 2.72Å; E22-R284 PolarHBondContact OE2-NH2 2.87Å; Y238-R284 HydrophobicContact CD1-CG 4.13Å; Y238-R284 HydrophobicContact CE1-CG 3.93Å; W268-R284 VanDerWaalsContact CE2-NH1 3.26Å; W268-R284 VanDerWaalsContact CE2-NH2 3.25Å; W268-R284 HydrophobicContact CH2-CG 3.56Å; W268-R284 HydrophobicContact CZ2-CG 4.16Å; W268-R284 VanDerWaalsContact CZ2-CZ 3.4Å; W268-R284 HydrophobicContact CZ3-CG 4.03Å; W268-R284 VanDerWaalsContact NE1-NH2 3.17Å; W268-R284 PolarHBondContact O-NH1 3.41Å; R284-R286 HydrophobicContact CB-CG 3.98Å; R284-R286 VanDerWaalsContact CD-NH2 3.27Å; R284-R286 PolarHBondContact O-N 3.33Å; R284-R286 VanDerWaalsContact O-N 3.16Å; R284-T287 HydrophobicContact CB-CG2 4.22Å; R284-T287 PolarHBondContact O-N 2.98Å; R284-T287 PolarHBondContact O-OG1 3.5Å; R284-L288 PolarHBondContact O-N 3.07Å
285	C	95.8	Very high	93.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-59.4	-32.4	177.6	-76.3	0	0	0	0	112.4	R233 G236 L237 Y238 T287 L288	R233-C285 WeakPolarHBondContact CG-O 3.4Å; R233-C285 WeakPolarHBondContact O-CB 3.44Å; G236-C285 WeakPolarHBondContact O-CB 3.46Å; G236-C285 PolarHBondContact O-SG 3.2Å; L237-C285 PolarHBondContact O-N 3.33Å; Y238-C285 VanDerWaalsContact C-SG 3.58Å; C285-T287 VanDerWaalsContact C-N 3.26Å; C285-T287 PolarHBondContact O-N 2.64Å; C285-L288 WeakPolarHBondContact O-CB 3.45Å; C285-L288 PolarHBondContact O-N 3Å
286	R	93.6	Very high	93.7	Very high	76 Å²	76	21.8 Å²	21.8	29%	0.287	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-66.3	-21.5	175.4	69	-175.6	176.1	87.7	-4.1	114.5	E22 Y29 R284	E22-R286 IonicContact OE1-CZ 2.69Å; E22-R286 IonicContact OE1-NE 3.63Å; E22-R286 PolarHBondContact OE1-NE 3.08Å; E22-R286 IonicContact OE1-NH2 2.64Å; E22-R286 PolarHBondContact OE1-NH2 3.44Å; E22-R286 IonicContact OE2-NH2 2.85Å; E22-R286 PolarHBondContact OE2-NH2 3.28Å; Y29-R286 HydrophobicContact CD1-CB 3.79Å; Y29-R286 HydrophobicContact CD2-CB 4.06Å; Y29-R286 HydrophobicContact CE1-CB 4.22Å; Y29-R286 HydrophobicContact CE2-CB 4.49Å; Y29-R286 HydrophobicContact CG-CB 3.66Å; R284-R286 HydrophobicContact CB-CG 3.98Å; R284-R286 VanDerWaalsContact CD-NH2 3.27Å; R284-R286 PolarHBondContact O-N 3.33Å; R284-R286 VanDerWaalsContact O-N 3.16Å
287	T	92.8	Very high	94.1	Very high	25 Å²	25	24.3 Å²	24.3	15%	0.153	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-97.9	-12.5	178.7	60.5	0	0	0	0	113.1	R284 C285 P289 Q290	R284-T287 HydrophobicContact CB-CG2 4.22Å; R284-T287 PolarHBondContact O-N 2.98Å; R284-T287 PolarHBondContact O-OG1 3.5Å; C285-T287 VanDerWaalsContact C-N 3.26Å; C285-T287 PolarHBondContact O-N 2.64Å; T287-P289 VanDerWaalsContact C-CD 3.42Å; T287-Q290 PolarHBondContact O-N 3.49Å
288	L	94.7	Very high	94.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-54.2	-40.3	177.1	-72.1	-179.3	0	0	0	114.6	M229 R233 Y239 F283 R284 C285 Q290 L291 I292	M229-L288 HydrophobicContact CB-CD1 4.49Å; M229-L288 HydrophobicContact CG-CD2 4.28Å; M229-L288 HydrophobicContact SD-CD2 3.94Å; R233-L288 HydrophobicContact CB-CD1 4.02Å; R233-L288 HydrophobicContact CG-CB 4.42Å; R233-L288 HydrophobicContact CG-CD1 4.41Å; Y239-L288 HydrophobicContact CD1-CD1 4.22Å; Y239-L288 HydrophobicContact CD1-CD2 3.85Å; Y239-L288 HydrophobicContact CG-CD1 3.93Å; Y239-L288 HydrophobicContact CG-CD2 4.35Å; F283-L288 HydrophobicContact CB-CD2 3.75Å; F283-L288 HydrophobicContact CD2-CD2 4.31Å; F283-L288 HydrophobicContact CG-CD2 4.15Å; R284-L288 PolarHBondContact O-N 3.07Å; C285-L288 WeakPolarHBondContact O-CB 3.45Å; C285-L288 PolarHBondContact O-N 3Å; L288-Q290 PolarHBondContact O-N 3.47Å; L288-Q290 VanDerWaalsContact O-N 3.11Å; L288-L291 HydrophobicContact CD2-CD2 4.43Å; L288-L291 PolarHBondContact O-N 2.82Å; L288-I292 HydrophobicContact CB-CD1 4.13Å; L288-I292 VanDerWaalsContact O-CG1 3.3Å; L288-I292 WeakPolarHBondContact O-CG1 3.5Å; L288-I292 PolarHBondContact O-N 2.77Å
289	P	92.9	Very high	94.7	Very high	32 Å²	32	27 Å²	27	21%	0.208	13%	0.127	C	C	.	.	H	α-helix	trans	-51.2	-39	178.6	-31.1	37.3	0	0	0	113.7	Y29 T287 I292 Q293	Y29-P289 HydrophobicContact CE2-CG 4.48Å; T287-P289 VanDerWaalsContact C-CD 3.42Å; P289-I292 PolarHBondContact O-N 2.8Å; P289-Q293 WeakPolarHBondContact O-CB 3.35Å; P289-Q293 WeakPolarHBondContact O-CG 3.46Å; P289-Q293 PolarHBondContact O-N 3.45Å
290	Q	92.9	Very high	94.7	Very high	84 Å²	84	30.7 Å²	30.7	39%	0.393	14%	0.14	S	C	.	.	H	α-helix	trans	-70.8	-38.3	-179.1	-171	170.4	17.6	0	0	112.4	T287 L288 F294 R315	T287-Q290 PolarHBondContact O-N 3.49Å; L288-Q290 PolarHBondContact O-N 3.47Å; L288-Q290 VanDerWaalsContact O-N 3.11Å; Q290-F294 WeakPolarHBondContact O-CB 3.27Å; Q290-F294 PolarHBondContact O-N 2.68Å; Q290-R315 VanDerWaalsContact CD-CZ 3.5Å; Q290-R315 VanDerWaalsContact NE2-CZ 3.35Å; Q290-R315 VanDerWaalsContact NE2-NH1 3.12Å
291	L	95.5	Very high	94.5	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-67	-45.5	174.7	176.6	57.8	0	0	0	110.9	M229 F278 F283 L288 Q293 F294 I295 L308 L311	M229-L291 HydrophobicContact SD-CD2 3.82Å; M229-L291 HydrophobicContact SD-CG 4.25Å; F278-L291 HydrophobicContact CZ-CD1 4.48Å; F278-L291 HydrophobicContact CZ-CD2 3.9Å; F283-L291 HydrophobicContact CD1-CD2 4Å; F283-L291 HydrophobicContact CD2-CD2 4.18Å; F283-L291 HydrophobicContact CE1-CD2 3.67Å; F283-L291 HydrophobicContact CE2-CD2 3.87Å; F283-L291 HydrophobicContact CG-CD2 4.23Å; F283-L291 HydrophobicContact CZ-CD2 3.59Å; L288-L291 HydrophobicContact CD2-CD2 4.43Å; L288-L291 PolarHBondContact O-N 2.82Å; L291-Q293 VanDerWaalsContact C-N 3.34Å; L291-Q293 PolarHBondContact O-N 3.39Å; L291-F294 PolarHBondContact O-N 3.46Å; L291-I295 HydrophobicContact CD1-CD1 3.9Å; L291-I295 HydrophobicContact CD1-CG1 4.29Å; L291-I295 HydrophobicContact CG-CD1 4Å; L291-I295 WeakPolarHBondContact O-CG1 3.37Å; L291-I295 PolarHBondContact O-N 3.33Å; L291-L308 HydrophobicContact CD1-CD1 4.11Å; L291-L311 HydrophobicContact CB-CD2 4.45Å; L291-L311 HydrophobicContact CD1-CD2 3.57Å
292	I	95.1	Very high	94.3	Very high	16 Å²	16	36.2 Å²	36.2	8%	0.082	17%	0.167	C	C	.	.	H	α-helix	trans	-59.2	-46.3	176.9	-65.6	160.8	0	0	0	110.2	M226 M229 L288 P289 I295 A296	M226-I292 HydrophobicContact CB-CG2 4.46Å; M226-I292 HydrophobicContact CE-CG2 4.07Å; M226-I292 HydrophobicContact CG-CG2 4.37Å; M229-I292 HydrophobicContact CB-CD1 3.91Å; M229-I292 HydrophobicContact CB-CG1 3.92Å; M229-I292 HydrophobicContact CE-CG1 4.36Å; M229-I292 HydrophobicContact SD-CG1 4.48Å; L288-I292 HydrophobicContact CB-CD1 4.13Å; L288-I292 VanDerWaalsContact O-CG1 3.3Å; L288-I292 WeakPolarHBondContact O-CG1 3.5Å; L288-I292 PolarHBondContact O-N 2.77Å; P289-I292 PolarHBondContact O-N 2.8Å; I292-I295 PolarHBondContact O-N 3.47Å; I292-A296 WeakPolarHBondContact O-CB 2.99Å; I292-A296 PolarHBondContact O-N 2.84Å
293	Q	93.8	Very high	94.1	Very high	104 Å²	104	37.1 Å²	37.1	49%	0.486	17%	0.173	S	C	.	.	H	α-helix	trans	-62.5	-42.3	177.4	-75.6	169.3	3	0	0	112.2	P289 L291 I295 A296 I297	P289-Q293 WeakPolarHBondContact O-CB 3.35Å; P289-Q293 WeakPolarHBondContact O-CG 3.46Å; P289-Q293 PolarHBondContact O-N 3.45Å; L291-Q293 VanDerWaalsContact C-N 3.34Å; L291-Q293 PolarHBondContact O-N 3.39Å; Q293-I295 PolarHBondContact O-N 3.38Å; Q293-A296 WeakPolarHBondContact O-CB 3.44Å; Q293-A296 PolarHBondContact O-N 2.85Å; Q293-I297 VanDerWaalsContact O-CG1 3.3Å; Q293-I297 WeakPolarHBondContact O-CG1 3.47Å; Q293-I297 PolarHBondContact O-N 3.17Å; Q293-I297 VanDerWaalsContact O-N 3.14Å
294	F	95.2	Very high	94	Very high	29 Å²	29	37.1 Å²	37.1	13%	0.127	17%	0.173	C	C	.	.	H	α-helix	trans	-63.4	-42.2	177.1	-171.6	-90.3	0	0	0	112	Q290 L291 A296 I297 F298 L307 R310 L311	Q290-F294 WeakPolarHBondContact O-CB 3.27Å; Q290-F294 PolarHBondContact O-N 2.68Å; L291-F294 PolarHBondContact O-N 3.46Å; F294-A296 VanDerWaalsContact C-N 3.35Å; F294-I297 PolarHBondContact O-N 3Å; F294-F298 HydrophobicContact CD2-CE2 4.46Å; F294-F298 HydrophobicContact CE1-CD2 4.16Å; F294-F298 HydrophobicContact CE2-CD2 4.35Å; F294-F298 AromaticContact CE2-CE2 3.99Å; F294-F298 HydrophobicContact CE2-CE2 3.99Å; F294-F298 HydrophobicContact CZ-CD2 4.09Å; F294-F298 HydrophobicContact CZ-CE2 4.05Å; F294-L307 HydrophobicContact CD1-CB 4.49Å; F294-L307 HydrophobicContact CE1-CB 4.32Å; F294-L307 HydrophobicContact CE1-CD2 4.39Å; F294-L307 WeakPolarHBondContact CE1-O 3.37Å; F294-R310 HydrophobicContact CE1-CB 4.49Å; F294-R310 HydrophobicContact CZ-CB 4.34Å; F294-R310 HydrophobicContact CZ-CG 4.34Å; F294-L311 HydrophobicContact CB-CD1 4.11Å; F294-L311 HydrophobicContact CB-CD2 4.34Å; F294-L311 HydrophobicContact CD1-CB 3.82Å; F294-L311 HydrophobicContact CD1-CD1 4.38Å; F294-L311 HydrophobicContact CD1-CG 4.48Å; F294-L311 HydrophobicContact CD2-CB 4.44Å; F294-L311 HydrophobicContact CD2-CD1 3.69Å; F294-L311 HydrophobicContact CE1-CB 3.85Å; F294-L311 HydrophobicContact CE2-CB 4.44Å; F294-L311 HydrophobicContact CE2-CD1 4.16Å; F294-L311 HydrophobicContact CG-CB 4.12Å; F294-L311 HydrophobicContact CG-CD1 3.79Å; F294-L311 HydrophobicContact CG-CD2 4.44Å; F294-L311 HydrophobicContact CG-CG 4.33Å; F294-L311 HydrophobicContact CZ-CB 4.16Å
295	I	95.7	Very high	93.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.2	-42.1	175.3	-63.1	163.3	0	0	0	110	N222 M226 M229 F278 L291 I292 Q293 I297 F298 Y299 V304 L307	N222-I295 HydrophobicContact CB-CG2 3.91Å; M226-I295 HydrophobicContact CG-CB 4.05Å; M226-I295 HydrophobicContact CG-CG2 3.68Å; M226-I295 HydrophobicContact SD-CB 4.09Å; M226-I295 HydrophobicContact SD-CG2 3.58Å; M226-I295 VanDerWaalsContact SD-CG2 3.58Å; M229-I295 HydrophobicContact CE-CD1 3.65Å; F278-I295 HydrophobicContact CE2-CD1 4.4Å; L291-I295 HydrophobicContact CD1-CD1 3.9Å; L291-I295 HydrophobicContact CD1-CG1 4.29Å; L291-I295 HydrophobicContact CG-CD1 4Å; L291-I295 WeakPolarHBondContact O-CG1 3.37Å; L291-I295 PolarHBondContact O-N 3.33Å; I292-I295 PolarHBondContact O-N 3.47Å; Q293-I295 PolarHBondContact O-N 3.38Å; I295-I297 PolarHBondContact O-N 3.13Å; I295-F298 CarbonylContact O-C 3.46Å; I295-F298 PolarHBondContact O-N 3Å; I295-Y299 WeakPolarHBondContact O-CA 3.46Å; I295-Y299 WeakPolarHBondContact O-CB 3.3Å; I295-Y299 PolarHBondContact O-N 3.34Å; I295-V304 HydrophobicContact CD1-CG2 3.96Å; I295-V304 HydrophobicContact CG1-CG2 4.49Å; I295-L307 HydrophobicContact CB-CD1 4.44Å; I295-L307 HydrophobicContact CG1-CB 4.47Å; I295-L307 HydrophobicContact CG1-CD1 4.43Å; I295-L307 HydrophobicContact CG2-CD1 4.02Å
296	A	94.2	Very high	93.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.1	-34.8	179.4	0	0	0	0	0	113.2	V90 N93 L94 M226 I292 Q293 F294 Y299	V90-A296 HydrophobicContact CG2-CB 3.52Å; N93-A296 WeakPolarHBondContact CB-O 3.24Å; L94-A296 HydrophobicContact CD1-CB 4.29Å; M226-A296 HydrophobicContact CE-CB 3.44Å; M226-A296 VanDerWaalsContact CE-CB 3.44Å; M226-A296 HydrophobicContact SD-CB 4.24Å; I292-A296 WeakPolarHBondContact O-CB 2.99Å; I292-A296 PolarHBondContact O-N 2.84Å; Q293-A296 WeakPolarHBondContact O-CB 3.44Å; Q293-A296 PolarHBondContact O-N 2.85Å; F294-A296 VanDerWaalsContact C-N 3.35Å; A296-Y299 VanDerWaalsContact O-CD1 3.27Å; A296-Y299 WeakPolarHBondContact O-CD1 3.48Å
297	I	93.5	Very high	93.9	Very high	80 Å²	80	42 Å²	42	41%	0.41	20%	0.196	S	C	.	.	H	α-helix	trans	-70.3	-35.4	179.5	-65.7	161.6	0	0	0	111.1	Q293 F294 I295	Q293-I297 VanDerWaalsContact O-CG1 3.3Å; Q293-I297 WeakPolarHBondContact O-CG1 3.47Å; Q293-I297 PolarHBondContact O-N 3.17Å; Q293-I297 VanDerWaalsContact O-N 3.14Å; F294-I297 PolarHBondContact O-N 3Å; I295-I297 PolarHBondContact O-N 3.13Å
298	F	93.7	Very high	94	Very high	82 Å²	82	41 Å²	41	36%	0.36	19%	0.19	S	C	.	.	H	α-helix	trans	-122.1	19.7	-169.7	-59.6	-68.5	0	0	0	114	F294 I295 R300 D301 K302 L307	F294-F298 HydrophobicContact CD2-CE2 4.46Å; F294-F298 HydrophobicContact CE1-CD2 4.16Å; F294-F298 HydrophobicContact CE2-CD2 4.35Å; F294-F298 AromaticContact CE2-CE2 3.99Å; F294-F298 HydrophobicContact CE2-CE2 3.99Å; F294-F298 HydrophobicContact CZ-CD2 4.09Å; F294-F298 HydrophobicContact CZ-CE2 4.05Å; I295-F298 CarbonylContact O-C 3.46Å; I295-F298 PolarHBondContact O-N 3Å; F298-R300 PolarHBondContact O-N 2.72Å; F298-R300 VanDerWaalsContact O-N 3.16Å; F298-D301 WeakPolarHBondContact CA-OD2 3.46Å; F298-D301 HydrophobicContact CB-CB 4.45Å; F298-D301 PolarHBondContact O-N 3.39Å; F298-K302 PolarHBondContact O-N 3Å; F298-L307 HydrophobicContact CB-CD1 4.36Å; F298-L307 HydrophobicContact CB-CD2 3.41Å; F298-L307 VanDerWaalsContact CB-CD2 3.41Å; F298-L307 HydrophobicContact CG-CD2 4.27Å
299	Y	93.4	Very high	93.9	Very high	8 Å²	8	43.7 Å²	43.7	3%	0.031	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.6	-172.8	79.4	-78.7	0	0	0	112.5	L94 P198 T219 N222 L223 I295 A296	L94-Y299 HydrophobicContact CD2-CD1 4.07Å; L94-Y299 HydrophobicContact CD2-CE1 3.51Å; L94-Y299 HydrophobicContact CD2-CE2 4.21Å; P198-Y299 HydrophobicContact CG-CE2 4.38Å; T219-Y299 HydrophobicContact CG2-CD2 3.39Å; T219-Y299 HydrophobicContact CG2-CE2 3.59Å; T219-Y299 HydrophobicContact CG2-CG 4.49Å; T219-Y299 PolarHBondContact OG1-O 2.79Å; N222-Y299 PolarHBondContact ND2-O 2.61Å; L223-Y299 HydrophobicContact CD1-CD2 4.2Å; L223-Y299 HydrophobicContact CD1-CE2 4.09Å; L223-Y299 HydrophobicContact CD2-CD2 3.68Å; L223-Y299 HydrophobicContact CD2-CE2 3.88Å; L223-Y299 HydrophobicContact CD2-CG 4.34Å; L223-Y299 HydrophobicContact CG-CD2 3.81Å; L223-Y299 HydrophobicContact CG-CE2 4.15Å; I295-Y299 WeakPolarHBondContact O-CA 3.46Å; I295-Y299 WeakPolarHBondContact O-CB 3.3Å; I295-Y299 PolarHBondContact O-N 3.34Å; A296-Y299 VanDerWaalsContact O-CD1 3.27Å; A296-Y299 WeakPolarHBondContact O-CD1 3.48Å
300	R	92	Very high	94	Very high	88 Å²	88	48 Å²	48	33%	0.332	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-20.2	175.4	-64.9	-177.1	175.8	-156.3	-11.2	113.1	D200 M204 R218 T219 F298	D200-R300 VanDerWaalsContact CG-NH2 3.32Å; D200-R300 IonicContact OD1-CZ 3.77Å; D200-R300 IonicContact OD1-NH2 2.86Å; D200-R300 PolarHBondContact OD1-NH2 2.88Å; D200-R300 IonicContact OD2-CZ 3.14Å; D200-R300 IonicContact OD2-NH1 3.96Å; D200-R300 PolarHBondContact OD2-NH1 3.38Å; D200-R300 VanDerWaalsContact OD2-NH1 3.14Å; D200-R300 IonicContact OD2-NH2 3.36Å; D200-R300 PolarHBondContact OD2-NH2 2.85Å; M204-R300 HydrophobicContact SD-CG 3.99Å; R218-R300 PolarHBondContact NH1-O 2.56Å; R218-R300 PolarHBondContact NH2-O 3.35Å; R218-R300 VanDerWaalsContact NH2-O 3.13Å; T219-R300 HydrophobicContact CG2-CG 4.27Å; F298-R300 PolarHBondContact O-N 2.72Å; F298-R300 VanDerWaalsContact O-N 3.16Å
301	D	91	Very high	94.1	Very high	57 Å²	57	44.3 Å²	44.3	31%	0.305	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-39.4	-165.5	-58.4	-61.8	0	0	0	114	T207 Y208 R218 F298	T207-D301 HydrophobicContact CG2-CB 4.39Å; T207-D301 PolarHBondContact OG1-O 2.8Å; Y208-D301 WeakPolarHBondContact CE2-O 3.47Å; R218-D301 VanDerWaalsContact NH1-C 3.3Å; R218-D301 PolarHBondContact NH1-O 3.34Å; F298-D301 WeakPolarHBondContact CA-OD2 3.46Å; F298-D301 HydrophobicContact CB-CB 4.45Å; F298-D301 PolarHBondContact O-N 3.39Å
302	K	92.6	Very high	94.1	Very high	63 Å²	63	44.9 Å²	44.9	27%	0.274	21%	0.207	S	C	.	.	S	Bend	trans	-141.2	152	-172.3	-68.1	177.4	-177.7	-67.9	0	111.7	Y208 N222 F298 W306 L307	Y208-K302 HydrophobicContact CE2-CG 4.05Å; Y208-K302 VanDerWaalsContact OH-CE 3.26Å; Y208-K302 WeakPolarHBondContact OH-CE 3.28Å; Y208-K302 WeakPolarHBondContact OH-CG 3.04Å; Y208-K302 PolarHBondContact OH-NZ 2.9Å; N222-K302 PolarHBondContact ND2-O 2.94Å; F298-K302 PolarHBondContact O-N 3Å; K302-W306 HydrophobicContact CB-CB 4.2Å; K302-W306 HydrophobicContact CD-CB 4.49Å; K302-W306 HydrophobicContact CG-CE3 4.35Å; K302-L307 HydrophobicContact CB-CD2 3.69Å; K302-L307 HydrophobicContact CB-CG 3.96Å; K302-L307 HydrophobicContact CD-CD2 4.24Å; K302-L307 HydrophobicContact CG-CD2 4.44Å
303	P	93.5	Very high	94	Very high	20 Å²	20	47.3 Å²	47.3	13%	0.13	22%	0.218	C	C	.	.			trans	-64.5	155.6	171.5	29.3	-35.2	0	0	0	111.3	R218 D305 W306 L307	R218-P303 HydrophobicContact CB-CB 4.3Å; P303-D305 VanDerWaalsContact C-N 3.3Å; P303-D305 PolarHBondContact O-N 3.49Å; P303-W306 HydrophobicContact CG-CB 4.08Å; P303-W306 HydrophobicContact CG-CD2 3.7Å; P303-W306 HydrophobicContact CG-CE3 4.19Å; P303-W306 HydrophobicContact CG-CG 3.63Å; P303-W306 WeakPolarHBondContact O-CB 3.34Å; P303-W306 PolarHBondContact O-N 3.21Å; P303-L307 PolarHBondContact O-N 2.99Å; P303-L307 VanDerWaalsContact O-N 3.11Å
304	V	95.1	Very high	94	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58	-38.6	-169.9	77.1	0	0	0	0	113.6	N222 Y225 F278 I295 W306 L307 L308	N222-V304 WeakPolarHBondContact OD1-CA 3.2Å; N222-V304 WeakPolarHBondContact OD1-CB 3.21Å; N222-V304 WeakPolarHBondContact OD1-CG2 3.47Å; N222-V304 PolarHBondContact OD1-N 2.9Å; N222-V304 VanDerWaalsContact OD1-N 3.1Å; Y225-V304 HydrophobicContact CD2-CB 4.37Å; Y225-V304 HydrophobicContact CD2-CG1 3.85Å; Y225-V304 HydrophobicContact CD2-CG2 3.93Å; Y225-V304 HydrophobicContact CE2-CG1 3.73Å; F278-V304 HydrophobicContact CB-CG1 4.06Å; F278-V304 HydrophobicContact CD2-CB 4.24Å; F278-V304 HydrophobicContact CD2-CG1 3.91Å; F278-V304 HydrophobicContact CD2-CG2 3.63Å; F278-V304 HydrophobicContact CE2-CG2 3.58Å; F278-V304 HydrophobicContact CG-CG1 4.3Å; F278-V304 HydrophobicContact CZ-CG2 4.46Å; I295-V304 HydrophobicContact CD1-CG2 3.96Å; I295-V304 HydrophobicContact CG1-CG2 4.49Å; V304-W306 VanDerWaalsContact C-N 3.27Å; V304-W306 PolarHBondContact O-N 3.21Å; V304-L307 WeakPolarHBondContact O-CB 3.4Å; V304-L307 PolarHBondContact O-N 3.34Å; V304-L308 PolarHBondContact O-N 3.17Å
305	D	93	Very high	93.9	Very high	58 Å²	58	49.8 Å²	49.8	31%	0.31	23%	0.232	S	C	.	.	H	α-helix	trans	-59.5	-39.9	177.4	-59.8	-10.2	0	0	0	111.7	G277 F278 P303 S309	G277-D305 WeakPolarHBondContact CA-OD2 3.29Å; F278-D305 WeakPolarHBondContact CB-OD1 3.41Å; F278-D305 PolarHBondContact N-OD1 3.12Å; P303-D305 VanDerWaalsContact C-N 3.3Å; P303-D305 PolarHBondContact O-N 3.49Å; D305-S309 PolarHBondContact O-N 3.22Å
306	W	94.5	Very high	93.8	Very high	132 Å²	132	51.8 Å²	51.8	50%	0.5	24%	0.241	S	C	.	.	H	α-helix	trans	-74.6	-37.1	-179.5	-68.5	16.6	0	0	0	110.8	Y208 K302 P303 V304 L308 S309 R310	Y208-W306 HydrophobicContact CE2-CZ3 4.27Å; K302-W306 HydrophobicContact CB-CB 4.2Å; K302-W306 HydrophobicContact CD-CB 4.49Å; K302-W306 HydrophobicContact CG-CE3 4.35Å; P303-W306 HydrophobicContact CG-CB 4.08Å; P303-W306 HydrophobicContact CG-CD2 3.7Å; P303-W306 HydrophobicContact CG-CE3 4.19Å; P303-W306 HydrophobicContact CG-CG 3.63Å; P303-W306 WeakPolarHBondContact O-CB 3.34Å; P303-W306 PolarHBondContact O-N 3.21Å; V304-W306 VanDerWaalsContact C-N 3.27Å; V304-W306 PolarHBondContact O-N 3.21Å; W306-L308 VanDerWaalsContact C-N 3.35Å; W306-S309 PolarHBondContact O-N 3.26Å; W306-R310 WeakPolarHBondContact O-CB 3.3Å; W306-R310 PolarHBondContact O-N 3.43Å
307	L	96.2	Very high	93.8	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-44	173.1	-65.4	179.3	0	0	0	111	F294 I295 F298 K302 P303 V304 R310 L311	F294-L307 HydrophobicContact CD1-CB 4.49Å; F294-L307 HydrophobicContact CE1-CB 4.32Å; F294-L307 HydrophobicContact CE1-CD2 4.39Å; F294-L307 WeakPolarHBondContact CE1-O 3.37Å; I295-L307 HydrophobicContact CB-CD1 4.44Å; I295-L307 HydrophobicContact CG1-CB 4.47Å; I295-L307 HydrophobicContact CG1-CD1 4.43Å; I295-L307 HydrophobicContact CG2-CD1 4.02Å; F298-L307 HydrophobicContact CB-CD1 4.36Å; F298-L307 HydrophobicContact CB-CD2 3.41Å; F298-L307 VanDerWaalsContact CB-CD2 3.41Å; F298-L307 HydrophobicContact CG-CD2 4.27Å; K302-L307 HydrophobicContact CB-CD2 3.69Å; K302-L307 HydrophobicContact CB-CG 3.96Å; K302-L307 HydrophobicContact CD-CD2 4.24Å; K302-L307 HydrophobicContact CG-CD2 4.44Å; P303-L307 PolarHBondContact O-N 2.99Å; P303-L307 VanDerWaalsContact O-N 3.11Å; V304-L307 WeakPolarHBondContact O-CB 3.4Å; V304-L307 PolarHBondContact O-N 3.34Å; L307-R310 PolarHBondContact O-N 3.28Å; L307-L311 WeakPolarHBondContact O-CB 3.29Å; L307-L311 PolarHBondContact O-N 3.36Å
308	L	95.5	Very high	93.6	Very high	6 Å²	6	50.7 Å²	50.7	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-49.8	174.5	178.5	61.1	0	0	0	111.5	M270 F278 K281 F283 L291 V304 W306 R310 L311 L312	M270-L308 HydrophobicContact CE-CD2 4.32Å; M270-L308 HydrophobicContact SD-CD1 4.18Å; M270-L308 HydrophobicContact SD-CD2 3.87Å; M270-L308 HydrophobicContact SD-CG 4.49Å; F278-L308 HydrophobicContact CD1-CD2 4.39Å; F278-L308 HydrophobicContact CD2-CB 3.82Å; F278-L308 HydrophobicContact CD2-CD2 3.65Å; F278-L308 HydrophobicContact CD2-CG 4.31Å; F278-L308 HydrophobicContact CE2-CB 3.8Å; F278-L308 HydrophobicContact CE2-CD1 4.4Å; F278-L308 HydrophobicContact CE2-CD2 3.87Å; F278-L308 HydrophobicContact CE2-CG 4.23Å; F278-L308 HydrophobicContact CG-CD2 3.97Å; F278-L308 HydrophobicContact CZ-CD2 4.39Å; K281-L308 HydrophobicContact CG-CD2 4.24Å; F283-L308 HydrophobicContact CE1-CD1 4.19Å; F283-L308 HydrophobicContact CZ-CD1 3.97Å; F283-L308 HydrophobicContact CZ-CD2 4.42Å; L291-L308 HydrophobicContact CD1-CD1 4.11Å; V304-L308 PolarHBondContact O-N 3.17Å; W306-L308 VanDerWaalsContact C-N 3.35Å; L308-R310 VanDerWaalsContact C-N 3.26Å; L308-R310 PolarHBondContact O-N 2.91Å; L308-L311 WeakPolarHBondContact O-CB 3.39Å; L308-L311 PolarHBondContact O-N 2.95Å; L308-L312 WeakPolarHBondContact O-CG 3.39Å; L308-L312 PolarHBondContact O-N 3.42Å; L308-L312 VanDerWaalsContact O-N 3.09Å
309	S	93.4	Very high	93.3	Very high	56 Å²	56	55.3 Å²	55.3	39%	0.392	27%	0.273	S	S	.	.	H	α-helix	trans	-56.6	-42.3	176.4	-174.3	0	0	0	0	111.7	D305 W306 L312 Q313	D305-S309 PolarHBondContact O-N 3.22Å; W306-S309 PolarHBondContact O-N 3.26Å; S309-L312 PolarHBondContact O-N 3.13Å; S309-Q313 WeakPolarHBondContact O-CG 3.3Å; S309-Q313 PolarHBondContact O-N 2.94Å
310	R	94.5	Very high	93.2	Very high	122 Å²	122	60.7 Å²	60.7	46%	0.46	30%	0.302	S	S	.	.	H	α-helix	trans	-70.5	-37.9	-179.6	-166	59.4	177.7	177.8	1.1	112.6	F294 W306 L307 L308 L312 Q313 V314	F294-R310 HydrophobicContact CE1-CB 4.49Å; F294-R310 HydrophobicContact CZ-CB 4.34Å; F294-R310 HydrophobicContact CZ-CG 4.34Å; W306-R310 WeakPolarHBondContact O-CB 3.3Å; W306-R310 PolarHBondContact O-N 3.43Å; L307-R310 PolarHBondContact O-N 3.28Å; L308-R310 VanDerWaalsContact C-N 3.26Å; L308-R310 PolarHBondContact O-N 2.91Å; R310-L312 VanDerWaalsContact C-N 3.3Å; R310-L312 PolarHBondContact O-N 3.02Å; R310-Q313 PolarHBondContact O-N 2.96Å; R310-V314 HydrophobicContact CG-CG2 4.39Å; R310-V314 WeakPolarHBondContact O-CB 3.39Å; R310-V314 VanDerWaalsContact O-CG2 3.3Å; R310-V314 WeakPolarHBondContact O-CG2 3.26Å; R310-V314 PolarHBondContact O-N 2.74Å
311	L	95.4	Very high	93.2	Very high	6 Å²	6	61.5 Å²	61.5	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-57.7	-44.9	172.5	176.1	59.8	0	0	0	111.2	F269 L291 F294 L307 L308 V314 R315	F269-L311 HydrophobicContact CE1-CD2 4.19Å; F269-L311 HydrophobicContact CZ-CD2 3.9Å; L291-L311 HydrophobicContact CB-CD2 4.45Å; L291-L311 HydrophobicContact CD1-CD2 3.57Å; F294-L311 HydrophobicContact CB-CD1 4.11Å; F294-L311 HydrophobicContact CB-CD2 4.34Å; F294-L311 HydrophobicContact CD1-CB 3.82Å; F294-L311 HydrophobicContact CD1-CD1 4.38Å; F294-L311 HydrophobicContact CD1-CG 4.48Å; F294-L311 HydrophobicContact CD2-CB 4.44Å; F294-L311 HydrophobicContact CD2-CD1 3.69Å; F294-L311 HydrophobicContact CE1-CB 3.85Å; F294-L311 HydrophobicContact CE2-CB 4.44Å; F294-L311 HydrophobicContact CE2-CD1 4.16Å; F294-L311 HydrophobicContact CG-CB 4.12Å; F294-L311 HydrophobicContact CG-CD1 3.79Å; F294-L311 HydrophobicContact CG-CD2 4.44Å; F294-L311 HydrophobicContact CG-CG 4.33Å; F294-L311 HydrophobicContact CZ-CB 4.16Å; L307-L311 WeakPolarHBondContact O-CB 3.29Å; L307-L311 PolarHBondContact O-N 3.36Å; L308-L311 WeakPolarHBondContact O-CB 3.39Å; L308-L311 PolarHBondContact O-N 2.95Å; L311-V314 PolarHBondContact O-N 2.69Å; L311-R315 HydrophobicContact CD1-CG 4.22Å; L311-R315 WeakPolarHBondContact O-CB 3.28Å; L311-R315 WeakPolarHBondContact O-CG 3.22Å; L311-R315 PolarHBondContact O-N 2.93Å
312	L	94.5	Very high	93.2	Very high	13 Å²	13	66 Å²	66	7%	0.068	33%	0.325	C	S	.	.	H	α-helix	trans	-63.1	-43.6	178.2	-64.9	173.2	0	0	0	111.5	F269 M270 L308 S309 R310 R315 F316 I330 V334	F269-L312 HydrophobicContact CD1-CD2 3.55Å; F269-L312 HydrophobicContact CE1-CD2 3.98Å; F269-L312 HydrophobicContact CG-CD2 4.48Å; M270-L312 HydrophobicContact CE-CD1 4.09Å; L308-L312 WeakPolarHBondContact O-CG 3.39Å; L308-L312 PolarHBondContact O-N 3.42Å; L308-L312 VanDerWaalsContact O-N 3.09Å; S309-L312 PolarHBondContact O-N 3.13Å; R310-L312 VanDerWaalsContact C-N 3.3Å; R310-L312 PolarHBondContact O-N 3.02Å; L312-R315 PolarHBondContact O-N 3Å; L312-F316 HydrophobicContact CB-CD2 4.5Å; L312-F316 HydrophobicContact CD2-CD2 4.21Å; L312-F316 HydrophobicContact CD2-CE2 3.85Å; L312-F316 WeakPolarHBondContact O-CB 3.36Å; L312-F316 WeakPolarHBondContact O-CD2 3.34Å; L312-F316 PolarHBondContact O-N 3.29Å; L312-I330 HydrophobicContact CB-CD1 4.13Å; L312-I330 HydrophobicContact CB-CG1 4.27Å; L312-I330 HydrophobicContact CB-CG2 4.27Å; L312-I330 HydrophobicContact CD1-CG2 4.2Å; L312-V334 HydrophobicContact CD1-CG2 4.04Å; L312-V334 HydrophobicContact CD2-CG2 3.72Å
313	Q	93.4	Very high	93.1	Very high	67 Å²	67	67.8 Å²	67.8	31%	0.313	34%	0.343	S	S	.	.	H	α-helix	trans	-60.7	-49.6	175.2	-70.6	172.8	13.4	0	0	111.7	S309 R310 R315 F316 C317 I330	S309-Q313 WeakPolarHBondContact O-CG 3.3Å; S309-Q313 PolarHBondContact O-N 2.94Å; R310-Q313 PolarHBondContact O-N 2.96Å; Q313-R315 VanDerWaalsContact C-N 3.27Å; Q313-R315 PolarHBondContact O-N 3.16Å; Q313-F316 PolarHBondContact O-N 2.94Å; Q313-C317 WeakPolarHBondContact O-CA 3.4Å; Q313-C317 WeakPolarHBondContact O-CB 3.39Å; Q313-C317 PolarHBondContact O-N 2.96Å; Q313-I330 HydrophobicContact CG-CD1 4.06Å
314	V	93.5	Very high	93	Very high	92 Å²	92	74.7 Å²	74.7	56%	0.558	37%	0.371	S	S	*	.	H	α-helix	trans	-61.5	-35.5	-179.5	169.3	0	0	0	0	111.8	R310 L311	R310-V314 HydrophobicContact CG-CG2 4.39Å; R310-V314 WeakPolarHBondContact O-CB 3.39Å; R310-V314 VanDerWaalsContact O-CG2 3.3Å; R310-V314 WeakPolarHBondContact O-CG2 3.26Å; R310-V314 PolarHBondContact O-N 2.74Å; L311-V314 PolarHBondContact O-N 2.69Å
315	R	93.4	Very high	93	Very high	93 Å²	93	78.5 Å²	78.5	35%	0.351	39%	0.391	S	S	.	.	H	α-helix	trans	-77.4	-38.2	179.7	-79.3	-171.7	99.7	121.3	9.2	114.7	Q290 L311 L312 Q313	Q290-R315 VanDerWaalsContact CD-CZ 3.5Å; Q290-R315 VanDerWaalsContact NE2-CZ 3.35Å; Q290-R315 VanDerWaalsContact NE2-NH1 3.12Å; L311-R315 HydrophobicContact CD1-CG 4.22Å; L311-R315 WeakPolarHBondContact O-CB 3.28Å; L311-R315 WeakPolarHBondContact O-CG 3.22Å; L311-R315 PolarHBondContact O-N 2.93Å; L312-R315 PolarHBondContact O-N 3Å; Q313-R315 VanDerWaalsContact C-N 3.27Å; Q313-R315 PolarHBondContact O-N 3.16Å
316	F	93.9	Very high	93	Very high	43 Å²	43	77 Å²	77	19%	0.189	39%	0.385	C	S	.	.	H	α-helix	trans	-121.1	-7.1	-161.6	-55.2	-53.3	0	0	0	113.4	F269 L312 Q313 A329 I330 R333	F269-F316 HydrophobicContact CB-CE2 3.93Å; F269-F316 HydrophobicContact CB-CZ 3.74Å; F269-F316 HydrophobicContact CD1-CE2 4.48Å; F269-F316 HydrophobicContact CD2-CZ 4.46Å; F269-F316 HydrophobicContact CG-CE2 4.17Å; F269-F316 HydrophobicContact CG-CZ 4.1Å; L312-F316 HydrophobicContact CB-CD2 4.5Å; L312-F316 HydrophobicContact CD2-CD2 4.21Å; L312-F316 HydrophobicContact CD2-CE2 3.85Å; L312-F316 WeakPolarHBondContact O-CB 3.36Å; L312-F316 WeakPolarHBondContact O-CD2 3.34Å; L312-F316 PolarHBondContact O-N 3.29Å; Q313-F316 PolarHBondContact O-N 2.94Å; F316-A329 VanDerWaalsContact O-CB 3.3Å; F316-A329 WeakPolarHBondContact O-CB 3.5Å; F316-I330 HydrophobicContact CB-CG1 4.24Å; F316-R333 HydrophobicContact CD1-CB 4.46Å; F316-R333 HydrophobicContact CD1-CG 3.92Å; F316-R333 HydrophobicContact CD2-CB 4.19Å; F316-R333 HydrophobicContact CD2-CG 4.46Å; F316-R333 HydrophobicContact CE1-CB 4.27Å; F316-R333 HydrophobicContact CE1-CG 3.92Å; F316-R333 HydrophobicContact CE2-CB 3.98Å; F316-R333 HydrophobicContact CE2-CG 4.46Å; F316-R333 HydrophobicContact CG-CB 4.44Å; F316-R333 HydrophobicContact CG-CG 4.21Å; F316-R333 HydrophobicContact CZ-CB 4.03Å; F316-R333 HydrophobicContact CZ-CG 4.2Å
317	C	93.2	Very high	92.8	Very high	21 Å²	21	75.5 Å²	75.5	14%	0.142	38%	0.383	C	S	.	.			trans	-118.8	129	176	-160.5	0	0	0	0	112.7	Q313 K321 C326	Q313-C317 WeakPolarHBondContact O-CA 3.4Å; Q313-C317 WeakPolarHBondContact O-CB 3.39Å; Q313-C317 PolarHBondContact O-N 2.96Å; C317-K321 VanDerWaalsContact SG-CB 3.58Å; C317-C326 HydrophobicContact CB-CB 3.6Å; C317-C326 WeakPolarHBondContact CB-SG 3.16Å; C317-C326 WeakPolarHBondContact SG-CA 3.39Å; C317-C326 WeakPolarHBondContact SG-CB 3.31Å; C317-C326 CovalentContact SG-SG 2.01Å; C317-C326 PolarHBondContact SG-SG 2.95Å
318	G	89.8	Confident	92.7	Very high	35 Å²	35	81.5 Å²	81.5	36%	0.361	41%	0.409	S	S	.	.			trans	-71.2	147	167.6	0	0	0	0	0	111.4	D320 K321	G318-D320 PolarHBondContact O-N 3.24Å; G318-K321 WeakPolarHBondContact O-CB 3.26Å; G318-K321 PolarHBondContact O-N 3.39Å; G318-K321 VanDerWaalsContact O-N 3.13Å
319	L	88.1	Confident	92.6	Very high	180 Å²	180	82.5 Å²	82.5	94%	0.942	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.5	179.7	-66.3	174.1	0	0	0	113.1	K321	L319-K321 VanDerWaalsContact C-N 3.33Å
320	D	91.7	Very high	92.6	Very high	120 Å²	120	81.2 Å²	81.2	64%	0.642	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-9.2	178.7	64.9	-55.7	0	0	0	113.8	G318	G318-D320 PolarHBondContact O-N 3.24Å
321	K	91.1	Very high	92.5	Very high	106 Å²	106	82.8 Å²	82.8	46%	0.461	41%	0.413	S	S	.	.	S	Bend	trans	-87.8	147	-172.5	-60.7	-54.9	-179.4	-140.8	0	112.6	C317 G318 L319 D325	C317-K321 VanDerWaalsContact SG-CB 3.58Å; G318-K321 WeakPolarHBondContact O-CB 3.26Å; G318-K321 PolarHBondContact O-N 3.39Å; G318-K321 VanDerWaalsContact O-N 3.13Å; L319-K321 VanDerWaalsContact C-N 3.33Å; K321-D325 HydrophobicContact CB-CB 4.16Å
322	K	91.9	Very high	92.4	Very high	151 Å²	151	87.8 Å²	87.8	66%	0.657	44%	0.436	S	S	*	.			trans	-71.8	154.9	173.7	-62.6	179.4	-178.5	176.9	0	109.8	K324 D325 C326	K322-K324 VanDerWaalsContact C-N 3.26Å; K322-K324 PolarHBondContact O-N 2.86Å; K322-K324 VanDerWaalsContact O-N 3.13Å; K322-D325 PolarHBondContact N-OD2 3.09Å; K322-D325 WeakPolarHBondContact O-CB 3.2Å; K322-D325 PolarHBondContact O-N 3.36Å; K322-C326 PolarHBondContact O-N 3.46Å; K322-C326 VanDerWaalsContact O-N 3.08Å
323	P	90.1	Very high	92.4	Very high	100 Å²	100	91.6 Å²	91.6	65%	0.649	45%	0.449	S	S	*	.	H	α-helix	trans	-51.6	-40.1	179.6	-30.2	35.8	0	0	0	114.5	D325 C326 E327	P323-D325 VanDerWaalsContact C-N 3.34Å; P323-D325 PolarHBondContact O-N 3.3Å; P323-C326 WeakPolarHBondContact O-CB 3.4Å; P323-C326 PolarHBondContact O-N 3.13Å; P323-E327 WeakPolarHBondContact O-CG 3.47Å; P323-E327 PolarHBondContact O-N 3.27Å
324	K	91.7	Very high	92.5	Very high	165 Å²	165	88.9 Å²	88.9	72%	0.717	44%	0.437	S	S	*	.	H	α-helix	trans	-63.9	-36.8	177.6	-68.9	-173.2	178	-178.3	0	113.1	K322 E327 K328	K322-K324 VanDerWaalsContact C-N 3.26Å; K322-K324 PolarHBondContact O-N 2.86Å; K322-K324 VanDerWaalsContact O-N 3.13Å; K324-E327 PolarHBondContact O-N 3.36Å; K324-K328 PolarHBondContact O-N 3.23Å
325	D	93.4	Very high	92.6	Very high	81 Å²	81	86.4 Å²	86.4	43%	0.433	42%	0.419	S	S	.	.	H	α-helix	trans	-70.1	-40.3	177.3	-57.7	-40.5	0	0	0	110.1	K321 K322 P323 K328 A329	K321-D325 HydrophobicContact CB-CB 4.16Å; K322-D325 PolarHBondContact N-OD2 3.09Å; K322-D325 WeakPolarHBondContact O-CB 3.2Å; K322-D325 PolarHBondContact O-N 3.36Å; P323-D325 VanDerWaalsContact C-N 3.34Å; P323-D325 PolarHBondContact O-N 3.3Å; D325-K328 PolarHBondContact O-N 3Å; D325-A329 PolarHBondContact O-N 3.21Å
326	C	93	Very high	92.5	Very high	25 Å²	25	84.5 Å²	84.5	17%	0.169	42%	0.418	C	S	.	.	H	α-helix	trans	-58.1	-48.8	171.4	-64.4	0	0	0	0	111.7	C317 K322 P323 K328 A329 I330	C317-C326 HydrophobicContact CB-CB 3.6Å; C317-C326 WeakPolarHBondContact CB-SG 3.16Å; C317-C326 WeakPolarHBondContact SG-CA 3.39Å; C317-C326 WeakPolarHBondContact SG-CB 3.31Å; C317-C326 CovalentContact SG-SG 2.01Å; C317-C326 PolarHBondContact SG-SG 2.95Å; K322-C326 PolarHBondContact O-N 3.46Å; K322-C326 VanDerWaalsContact O-N 3.08Å; P323-C326 WeakPolarHBondContact O-CB 3.4Å; P323-C326 PolarHBondContact O-N 3.13Å; C326-K328 VanDerWaalsContact C-N 3.25Å; C326-K328 PolarHBondContact O-N 2.86Å; C326-A329 PolarHBondContact O-N 2.93Å; C326-I330 VanDerWaalsContact O-CG1 3.31Å; C326-I330 WeakPolarHBondContact O-CG1 2.83Å; C326-I330 PolarHBondContact O-N 3.19Å
327	E	91.8	Very high	92.3	Very high	101 Å²	101	83.7 Å²	83.7	47%	0.472	42%	0.415	S	S	.	.	H	α-helix	trans	-60.7	-36.3	179	-73.9	175.3	-167.7	0	0	112.2	P323 K324 R331	P323-E327 WeakPolarHBondContact O-CG 3.47Å; P323-E327 PolarHBondContact O-N 3.27Å; K324-E327 PolarHBondContact O-N 3.36Å; E327-R331 WeakPolarHBondContact O-CB 3.35Å; E327-R331 VanDerWaalsContact O-CG 3.28Å; E327-R331 WeakPolarHBondContact O-CG 3.06Å; E327-R331 PolarHBondContact O-N 2.88Å; E327-R331 PolarHBondContact O-NE 2.93Å; E327-R331 IonicContact OE2-NH2 3.13Å; E327-R331 PolarHBondContact OE2-NH2 2.86Å
328	K	93.3	Very high	91.8	Very high	129 Å²	129	87.7 Å²	87.7	56%	0.561	43%	0.43	S	S	*	.	H	α-helix	trans	-66.5	-49.4	175	-174.8	-176.9	173.8	-172.9	0	110.8	K324 D325 C326 I330 R331 E332	K324-K328 PolarHBondContact O-N 3.23Å; D325-K328 PolarHBondContact O-N 3Å; C326-K328 VanDerWaalsContact C-N 3.25Å; C326-K328 PolarHBondContact O-N 2.86Å; K328-I330 VanDerWaalsContact C-N 3.3Å; K328-I330 PolarHBondContact O-N 3.28Å; K328-R331 PolarHBondContact O-N 2.86Å; K328-R331 VanDerWaalsContact O-N 3.09Å; K328-E332 WeakPolarHBondContact CE-OE1 3.33Å; K328-E332 PolarHBondContact O-N 3.42Å; K328-E332 VanDerWaalsContact O-N 3.11Å
329	A	93.3	Very high	91.5	Very high	27 Å²	27	88 Å²	88	22%	0.223	43%	0.425	C	S	.	.	H	α-helix	trans	-60.7	-39	179.3	0	0	0	0	0	112.5	F316 D325 C326 E332	F316-A329 VanDerWaalsContact O-CB 3.3Å; F316-A329 WeakPolarHBondContact O-CB 3.5Å; D325-A329 PolarHBondContact O-N 3.21Å; C326-A329 PolarHBondContact O-N 2.93Å; A329-E332 PolarHBondContact O-N 2.85Å
330	I	94.1	Very high	91.3	Very high	29 Å²	29	79.5 Å²	79.5	15%	0.149	38%	0.381	C	S	.	.	H	α-helix	trans	-65.6	-43	174.2	-68	168.7	0	0	0	110.6	L312 Q313 F316 C326 K328 E332 R333 V334	L312-I330 HydrophobicContact CB-CD1 4.13Å; L312-I330 HydrophobicContact CB-CG1 4.27Å; L312-I330 HydrophobicContact CB-CG2 4.27Å; L312-I330 HydrophobicContact CD1-CG2 4.2Å; Q313-I330 HydrophobicContact CG-CD1 4.06Å; F316-I330 HydrophobicContact CB-CG1 4.24Å; C326-I330 VanDerWaalsContact O-CG1 3.31Å; C326-I330 WeakPolarHBondContact O-CG1 2.83Å; C326-I330 PolarHBondContact O-N 3.19Å; K328-I330 VanDerWaalsContact C-N 3.3Å; K328-I330 PolarHBondContact O-N 3.28Å; I330-E332 PolarHBondContact O-N 3.3Å; I330-R333 CarbonylContact O-C 3.36Å; I330-R333 WeakPolarHBondContact O-CA 3.33Å; I330-R333 PolarHBondContact O-N 3.28Å; I330-V334 HydrophobicContact CG2-CB 4.24Å; I330-V334 HydrophobicContact CG2-CG2 3.91Å; I330-V334 WeakPolarHBondContact O-CB 3.1Å; I330-V334 PolarHBondContact O-N 3.41Å
331	R	92.5	Very high	91.1	Very high	154 Å²	154	73.9 Å²	73.9	58%	0.581	35%	0.351	S	S	*	.	H	α-helix	trans	-64.7	-21.2	178.4	-81.5	-176.3	-82.7	-157	-8.3	114.3	E327 K328 R333	E327-R331 WeakPolarHBondContact O-CB 3.35Å; E327-R331 VanDerWaalsContact O-CG 3.28Å; E327-R331 WeakPolarHBondContact O-CG 3.06Å; E327-R331 PolarHBondContact O-N 2.88Å; E327-R331 PolarHBondContact O-NE 2.93Å; E327-R331 IonicContact OE2-NH2 3.13Å; E327-R331 PolarHBondContact OE2-NH2 2.86Å; K328-R331 PolarHBondContact O-N 2.86Å; K328-R331 VanDerWaalsContact O-N 3.09Å; R331-R333 PolarHBondContact O-N 3.12Å
332	E	93.6	Very high	91	Very high	111 Å²	111	68.9 Å²	68.9	52%	0.519	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-10	171.7	-69	172.2	-173	0	0	112.8	K328 A329 I330 F335	K328-E332 WeakPolarHBondContact CE-OE1 3.33Å; K328-E332 PolarHBondContact O-N 3.42Å; K328-E332 VanDerWaalsContact O-N 3.11Å; A329-E332 PolarHBondContact O-N 2.85Å; I330-E332 PolarHBondContact O-N 3.3Å; E332-F335 WeakPolarHBondContact O-CZ 3.2Å
333	R	94.7	Very high	90.5	Very high	93 Å²	93	62.3 Å²	62.3	35%	0.351	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-13.2	-178	-59.4	-60.3	-178.6	110.3	8.6	114	K267 W268 F269 F316 I330 R331	K267-R333 WeakPolarHBondContact O-CD 3.38Å; K267-R333 PolarHBondContact O-NH1 3.48Å; W268-R333 CarbonylContact C-O 3.28Å; W268-R333 WeakPolarHBondContact CA-O 3.46Å; F269-R333 PolarHBondContact N-O 2.86Å; F316-R333 HydrophobicContact CD1-CB 4.46Å; F316-R333 HydrophobicContact CD1-CG 3.92Å; F316-R333 HydrophobicContact CD2-CB 4.19Å; F316-R333 HydrophobicContact CD2-CG 4.46Å; F316-R333 HydrophobicContact CE1-CB 4.27Å; F316-R333 HydrophobicContact CE1-CG 3.92Å; F316-R333 HydrophobicContact CE2-CB 3.98Å; F316-R333 HydrophobicContact CE2-CG 4.46Å; F316-R333 HydrophobicContact CG-CB 4.44Å; F316-R333 HydrophobicContact CG-CG 4.21Å; F316-R333 HydrophobicContact CZ-CB 4.03Å; F316-R333 HydrophobicContact CZ-CG 4.2Å; I330-R333 CarbonylContact O-C 3.36Å; I330-R333 WeakPolarHBondContact O-CA 3.33Å; I330-R333 PolarHBondContact O-N 3.28Å; R331-R333 PolarHBondContact O-N 3.12Å
334	V	95.1	Very high	89.8	Confident	10 Å²	10	58.1 Å²	58.1	6%	0.061	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	108.5	178.5	-179.8	0	0	0	0	107.8	M270 E272 L312 I330	M270-V334 HydrophobicContact CB-CG1 4.48Å; M270-V334 HydrophobicContact CB-CG2 4.37Å; M270-V334 HydrophobicContact CE-CB 4.45Å; M270-V334 HydrophobicContact CE-CG1 3.41Å; M270-V334 VanDerWaalsContact CE-CG1 3.41Å; M270-V334 HydrophobicContact CE-CG2 4.16Å; M270-V334 WeakPolarHBondContact O-CA 3.19Å; E272-V334 HydrophobicContact CG-CG1 3.68Å; L312-V334 HydrophobicContact CD1-CG2 4.04Å; L312-V334 HydrophobicContact CD2-CG2 3.72Å; I330-V334 HydrophobicContact CG2-CB 4.24Å; I330-V334 HydrophobicContact CG2-CG2 3.91Å; I330-V334 WeakPolarHBondContact O-CB 3.1Å; I330-V334 PolarHBondContact O-N 3.41Å
335	F	94.5	Very high	88.8	Confident	40 Å²	40	53.1 Å²	53.1	18%	0.175	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.2	-177.6	-60.6	-80.7	0	0	0	110.1	F259 H263 D266 W268 M270 L271 E272 E332	F259-F335 HydrophobicContact CE1-CB 4.09Å; F259-F335 WeakPolarHBondContact CE1-O 3.29Å; F259-F335 HydrophobicContact CZ-CB 3.8Å; H263-F335 AromaticContact CE1-CD1 3.32Å; H263-F335 WeakPolarHBondContact CE1-CD1 3.4Å; H263-F335 AromaticContact CE1-CE1 3.74Å; H263-F335 AromaticContact CE1-CG 3.48Å; H263-F335 VanDerWaalsContact CE1-CG 3.48Å; H263-F335 WeakPolarHBondContact CE1-CG 3.39Å; H263-F335 AromaticContact ND1-CD1 3.84Å; H263-F335 AromaticContact ND1-CD2 3.78Å; H263-F335 AromaticContact ND1-CE1 3.99Å; H263-F335 AromaticContact ND1-CE2 3.95Å; H263-F335 AromaticContact ND1-CG 3.73Å; H263-F335 AromaticContact NE2-CD1 3.9Å; H263-F335 AromaticContact NE2-CG 3.75Å; D266-F335 HydrophobicContact CB-CE2 3.85Å; D266-F335 HydrophobicContact CB-CZ 4.11Å; W268-F335 HydrophobicContact CB-CD2 3.64Å; W268-F335 HydrophobicContact CB-CE2 3.7Å; M270-F335 PolarHBondContact O-N 3.45Å; L271-F335 CarbonylContact C-O 3.54Å; L271-F335 WeakPolarHBondContact CA-O 3.42Å; L271-F335 HydrophobicContact CD2-CB 3.81Å; L271-F335 HydrophobicContact CD2-CD2 4.06Å; L271-F335 HydrophobicContact CD2-CG 4.41Å; E272-F335 PolarHBondContact N-O 3.38Å; E332-F335 WeakPolarHBondContact O-CZ 3.2Å
336	T	92.8	Very high	87.3	Confident	54 Å²	54	49.3 Å²	49.3	33%	0.331	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124	179.8	-45	0	0	0	0	110.1	E272 K338	E272-T336 HydrophobicContact CB-CG2 4.1Å; E272-T336 CarbonylContact O-C 3.58Å; E272-T336 WeakPolarHBondContact O-CA 3.46Å; E272-T336 PolarHBondContact OE2-OG1 3.11Å; T336-K338 HydrophobicContact CG2-CD 4.34Å; T336-K338 HydrophobicContact CG2-CG 4.49Å
337	F	89.6	Confident	85.8	Confident	25 Å²	25	52.1 Å²	52.1	11%	0.11	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-71.5	127.6	169.4	-173.1	-86.4	0	0	0	109.3	N255 F259 E272 F273 P339 L341	N255-F337 HydrophobicContact CB-CE2 4.24Å; N255-F337 HydrophobicContact CB-CZ 3.95Å; F259-F337 HydrophobicContact CB-CD2 3.79Å; F259-F337 HydrophobicContact CB-CE2 4.34Å; F259-F337 HydrophobicContact CD1-CB 4.04Å; F259-F337 HydrophobicContact CD1-CD2 4.27Å; F259-F337 HydrophobicContact CD2-CB 4.4Å; F259-F337 AromaticContact CD2-CD2 3.58Å; F259-F337 HydrophobicContact CD2-CD2 3.58Å; F259-F337 HydrophobicContact CD2-CE2 4.4Å; F259-F337 HydrophobicContact CD2-CG 4.47Å; F259-F337 HydrophobicContact CE1-CB 3.97Å; F259-F337 HydrophobicContact CE2-CB 4.33Å; F259-F337 HydrophobicContact CE2-CD2 4.15Å; F259-F337 HydrophobicContact CG-CB 4.25Å; F259-F337 AromaticContact CG-CD2 3.64Å; F259-F337 HydrophobicContact CG-CD2 3.64Å; F259-F337 HydrophobicContact CG-CG 4.43Å; F259-F337 HydrophobicContact CZ-CB 4.12Å; E272-F337 PolarHBondContact O-N 3.41Å; F273-F337 HydrophobicContact CD1-CB 3.45Å; F273-F337 VanDerWaalsContact CD1-CB 3.45Å; F273-F337 HydrophobicContact CD1-CD1 4.28Å; F273-F337 HydrophobicContact CD1-CD2 4.42Å; F273-F337 AromaticContact CD1-CG 3.81Å; F273-F337 HydrophobicContact CD1-CG 3.81Å; F273-F337 HydrophobicContact CE1-CB 3.73Å; F273-F337 HydrophobicContact CE1-CD2 4.16Å; F273-F337 AromaticContact CE1-CG 3.99Å; F273-F337 HydrophobicContact CE1-CG 3.99Å; F273-F337 HydrophobicContact CG-CB 4.32Å; F337-P339 WeakPolarHBondContact CD1-O 3.32Å; F337-P339 VanDerWaalsContact CE1-O 3.28Å; F337-P339 WeakPolarHBondContact CE1-O 3.48Å; F337-L341 HydrophobicContact CD1-CD1 4.24Å; F337-L341 HydrophobicContact CD1-CD2 3.94Å; F337-L341 HydrophobicContact CD1-CG 3.75Å; F337-L341 HydrophobicContact CE1-CD1 4.31Å; F337-L341 HydrophobicContact CE1-CD2 3.44Å; F337-L341 VanDerWaalsContact CE1-CD2 3.44Å; F337-L341 HydrophobicContact CE1-CG 3.8Å; F337-L341 HydrophobicContact CZ-CD2 4.18Å
338	K	82.4	Confident	84.4	Confident	106 Å²	106	49.7 Å²	49.7	46%	0.461	24%	0.237	S	C	.	.	S	Bend	trans	-124.9	135.2	175.8	-68.4	-66	-171.5	171.4	0	109.3	T336 D362	T336-K338 HydrophobicContact CG2-CD 4.34Å; T336-K338 HydrophobicContact CG2-CG 4.49Å; K338-D362 WeakPolarHBondContact CD-OD2 3.32Å; K338-D362 WeakPolarHBondContact CE-OD2 3.11Å; K338-D362 IonicContact NZ-OD2 2.86Å; K338-D362 PolarHBondContact NZ-OD2 3.3Å
339	P	83.1	Confident	83.3	Confident	41 Å²	41	44.3 Å²	44.3	27%	0.266	22%	0.216	S	C	.	.	S	Bend	cis	-74.4	158.3	-3	31.9	-35.3	0	0	0	112.4	F337 L341 D362 A366 I370	F337-P339 WeakPolarHBondContact CD1-O 3.32Å; F337-P339 VanDerWaalsContact CE1-O 3.28Å; F337-P339 WeakPolarHBondContact CE1-O 3.48Å; P339-L341 PolarHBondContact O-N 2.96Å; P339-D362 HydrophobicContact CB-CB 4.4Å; P339-A366 HydrophobicContact CB-CB 3.26Å; P339-A366 HydrophobicContact CG-CB 3.34Å; P339-I370 HydrophobicContact CG-CD1 3.93Å
340	S	84.4	Confident	82.6	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.007	22%	0.218	C	C	.	.			trans	-54.4	141.1	179.7	176.7	0	0	0	0	112.1	K249 F273 F342	K249-S340 WeakPolarHBondContact CE-O 3.33Å; K249-S340 PolarHBondContact NZ-O 3.41Å; F273-S340 WeakPolarHBondContact O-CA 3.3Å; F273-S340 WeakPolarHBondContact O-CB 3.24Å; F273-S340 PolarHBondContact O-OG 3.04Å; S340-F342 PolarHBondContact OG-N 3.41Å; S340-F342 PolarHBondContact OG-O 2.91Å
341	L	86.8	Confident	81.7	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	22%	0.215	C	C	.	.	S	Bend	trans	-89.4	-11.4	179.4	-62.8	-177.8	0	0	0	113.1	T248 K249 F252 N255 I256 F273 F337 P339	T248-L341 WeakPolarHBondContact CA-O 3.39Å; T248-L341 PolarHBondContact OG1-O 3.33Å; K249-L341 HydrophobicContact CD-CD2 4.37Å; K249-L341 PolarHBondContact N-O 2.92Å; F252-L341 HydrophobicContact CB-CB 4.35Å; F252-L341 HydrophobicContact CB-CD1 4.15Å; N255-L341 HydrophobicContact CB-CD1 3.75Å; N255-L341 HydrophobicContact CB-CD2 4.06Å; I256-L341 HydrophobicContact CG1-CD1 4.14Å; F273-L341 HydrophobicContact CB-CB 4.3Å; F273-L341 HydrophobicContact CB-CD1 4.38Å; F273-L341 HydrophobicContact CB-CG 4.45Å; F273-L341 HydrophobicContact CD1-CD1 3.41Å; F273-L341 VanDerWaalsContact CD1-CD1 3.41Å; F273-L341 HydrophobicContact CD1-CG 4.05Å; F273-L341 HydrophobicContact CE1-CD1 4.02Å; F273-L341 HydrophobicContact CG-CD1 4.18Å; F273-L341 PolarHBondContact O-N 3.34Å; F273-L341 VanDerWaalsContact O-N 3.08Å; F337-L341 HydrophobicContact CD1-CD1 4.24Å; F337-L341 HydrophobicContact CD1-CD2 3.94Å; F337-L341 HydrophobicContact CD1-CG 3.75Å; F337-L341 HydrophobicContact CE1-CD1 4.31Å; F337-L341 HydrophobicContact CE1-CD2 3.44Å; F337-L341 VanDerWaalsContact CE1-CD2 3.44Å; F337-L341 HydrophobicContact CE1-CG 3.8Å; F337-L341 HydrophobicContact CZ-CD2 4.18Å; P339-L341 PolarHBondContact O-N 2.96Å
342	F	89.8	Confident	80.8	Confident	1 Å²	1	45.3 Å²	45.3	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144.4	-172.6	-58.1	-86.5	0	0	0	110.5	L140 M240 L242 V247 T248 F252 F273 A280 S340 F363	L140-F342 HydrophobicContact CD2-CE1 3.91Å; M240-F342 HydrophobicContact CE-CE2 4.41Å; M240-F342 HydrophobicContact SD-CE2 3.76Å; M240-F342 HydrophobicContact SD-CZ 3.69Å; L242-F342 HydrophobicContact CD1-CD1 4.41Å; L242-F342 HydrophobicContact CD1-CE1 3.99Å; L242-F342 HydrophobicContact CD2-CD1 4.03Å; L242-F342 HydrophobicContact CD2-CD2 4.5Å; L242-F342 HydrophobicContact CD2-CE1 4.06Å; L242-F342 HydrophobicContact CD2-CG 4.25Å; L242-F342 HydrophobicContact CD2-CZ 4.3Å; V247-F342 WeakPolarHBondContact O-CA 3.42Å; T248-F342 VanDerWaalsContact OG1-CE1 3.26Å; T248-F342 WeakPolarHBondContact OG1-CE1 3.47Å; F252-F342 HydrophobicContact CB-CZ 4.45Å; F252-F342 HydrophobicContact CD2-CE1 4.16Å; F252-F342 AromaticContact CD2-CZ 3.62Å; F252-F342 HydrophobicContact CD2-CZ 3.62Å; F252-F342 HydrophobicContact CE2-CZ 4.2Å; F252-F342 HydrophobicContact CG-CE1 4.46Å; F252-F342 HydrophobicContact CG-CZ 4.2Å; F273-F342 HydrophobicContact CB-CD2 3.8Å; F273-F342 HydrophobicContact CB-CE2 3.74Å; F273-F342 HydrophobicContact CG-CE2 4.44Å; A280-F342 HydrophobicContact CB-CB 4.24Å; A280-F342 HydrophobicContact CB-CD2 3.34Å; A280-F342 HydrophobicContact CB-CE2 3.85Å; A280-F342 HydrophobicContact CB-CG 3.94Å; S340-F342 PolarHBondContact OG-N 3.41Å; S340-F342 PolarHBondContact OG-O 2.91Å; F342-F363 WeakPolarHBondContact O-CD2 3.49Å
343	Q	80.2	Confident	79.3	Confident	13 Å²	13	43.9 Å²	43.9	6%	0.061	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.9	177.4	175.1	60.6	74.9	0	0	110.2	L246 V247 V345 K359 F363	L246-Q343 CarbonylContact C-O 3.47Å; L246-Q343 WeakPolarHBondContact CA-O 3.47Å; L246-Q343 WeakPolarHBondContact CB-O 3.3Å; V247-Q343 HydrophobicContact CG2-CB 3.87Å; V247-Q343 HydrophobicContact CG2-CG 4.4Å; V247-Q343 PolarHBondContact N-O 3.27Å; V247-Q343 PolarHBondContact O-N 2.73Å; Q343-V345 HydrophobicContact CG-CG1 4.24Å; Q343-V345 PolarHBondContact O-N 2.87Å; Q343-K359 VanDerWaalsContact NE2-CA 3.32Å; Q343-K359 VanDerWaalsContact NE2-CB 3.33Å; Q343-F363 HydrophobicContact CB-CB 4.32Å; Q343-F363 HydrophobicContact CB-CD1 3.36Å; Q343-F363 HydrophobicContact CB-CD2 3.59Å; Q343-F363 HydrophobicContact CB-CE1 3.31Å; Q343-F363 HydrophobicContact CB-CE2 3.54Å; Q343-F363 HydrophobicContact CB-CG 3.5Å; Q343-F363 VanDerWaalsContact CB-CG 3.5Å; Q343-F363 HydrophobicContact CB-CZ 3.41Å; Q343-F363 VanDerWaalsContact CB-CZ 3.41Å; Q343-F363 HydrophobicContact CG-CD1 3.64Å; Q343-F363 HydrophobicContact CG-CE1 3.81Å; Q343-F363 HydrophobicContact CG-CG 4.08Å; Q343-F363 HydrophobicContact CG-CZ 4.39Å; Q343-F363 VanDerWaalsContact OE1-CB 3.3Å
344	H	75.5	Confident	78.1	Confident	12 Å²	12	43 Å²	43	6%	0.056	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	121.7	168.4	-172.1	-82.3	0	0	0	109.7	E243 D245 L276 I279 G346 Q356	E243-H344 IonicContact OE2-CD2 3.53Å; E243-H344 PolarHBondContact OE2-CD2 2.85Å; E243-H344 IonicContact OE2-NE2 3.98Å; D245-H344 IonicContact OD1-CD2 3.89Å; D245-H344 PolarHBondContact OD1-CD2 3.18Å; D245-H344 IonicContact OD1-NE2 2.77Å; D245-H344 PolarHBondContact OD1-NE2 2.88Å; D245-H344 IonicContact OD2-CE1 2.78Å; D245-H344 IonicContact OD2-NE2 3.82Å; D245-H344 PolarHBondContact OD2-NE2 3.39Å; L276-H344 HydrophobicContact CD1-CB 4.3Å; I279-H344 HydrophobicContact CD1-CB 4.42Å; H344-G346 PolarHBondContact CE1-O 3.43Å; H344-G346 PolarHBondContact ND1-O 2.99Å; H344-G346 VanDerWaalsContact ND1-O 3.11Å; H344-Q356 WeakPolarHBondContact CE1-CG 3.31Å
345	V	70.4	Confident	76.3	Confident	61 Å²	61	48.9 Å²	48.9	37%	0.37	27%	0.268	S	S	.	.			trans	-114	-10.7	179.6	-64.4	0	0	0	0	112.6	D245 V247 Q343 L347	D245-V345 VanDerWaalsContact O-CG2 3.28Å; D245-V345 WeakPolarHBondContact O-CG2 3.31Å; D245-V345 PolarHBondContact O-N 3.36Å; V247-V345 HydrophobicContact CB-CG1 4.4Å; V247-V345 HydrophobicContact CG1-CG1 3.92Å; V247-V345 HydrophobicContact CG1-CG2 4.13Å; V247-V345 HydrophobicContact CG2-CG1 3.71Å; Q343-V345 HydrophobicContact CG-CG1 4.24Å; Q343-V345 PolarHBondContact O-N 2.87Å; V345-L347 PolarHBondContact O-N 3.45Å
346	G	63.4	Low	74.6	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.01	27%	0.27	C	S	.	.			trans	-60.6	125.3	172.8	0	0	0	0	0	111.2	D245 H344 Q356	D245-G346 PolarHBondContact O-N 3.03Å; H344-G346 PolarHBondContact CE1-O 3.43Å; H344-G346 PolarHBondContact ND1-O 2.99Å; H344-G346 VanDerWaalsContact ND1-O 3.11Å; G346-Q356 VanDerWaalsContact O-O 3.09Å
347	L	60.2	Low	72.6	Confident	84 Å²	84	51.6 Å²	51.6	44%	0.44	28%	0.284	S	S	.	.			trans	-95.9	-28.6	169.5	-66.9	175.8	0	0	0	111.5	Y132 V345 L355 Q356	Y132-L347 PolarHBondContact OH-N 2.66Å; V345-L347 PolarHBondContact O-N 3.45Å; L347-L355 CarbonylContact O-C 3.58Å; L347-L355 WeakPolarHBondContact O-CA 3.41Å; L347-Q356 PolarHBondContact O-N 3.14Å
348	E	61.9	Low	71.3	Confident	50 Å²	50	55.1 Å²	55.1	23%	0.234	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-101.1	115.1	-179	-172.5	179.8	-179.4	0	0	109.3	R127 R129	R127-E348 PolarHBondContact NE-O 3.45Å; R129-E348 WeakPolarHBondContact CB-OE2 3.43Å
349	S	72	Confident	70	Confident	16 Å²	16	56.4 Å²	56.4	11%	0.112	31%	0.309	C	S	.	.			trans	-68	160	173.5	-170.7	0	0	0	0	110.9	L351 K354	S349-L351 PolarHBondContact O-N 3.1Å; S349-L351 PolarHBondContact OG-N 3.11Å; S349-K354 WeakPolarHBondContact CB-O 3.21Å; S349-K354 PolarHBondContact N-O 3.26Å
350	S	77	Confident	69.3	Low	38 Å²	38	54.6 Å²	54.6	27%	0.266	30%	0.297	S	S	.	.	S	Bend	trans	-68.1	-16.8	167.5	51.4	0	0	0	0	113.8	W217	W217-S350 PolarHBondContact NE1-OG 3.22Å
351	L	76.6	Confident	68.1	Low	17 Å²	17	63.5 Å²	63.5	9%	0.089	34%	0.336	C	S	.	.	S	Bend	trans	-83.4	120.8	167.1	-177.5	64	0	0	0	109.1	E213 R214 W217 S349 G353 K354	E213-L351 HydrophobicContact CG-CD1 3.81Å; R214-L351 HydrophobicContact CB-CD2 4.46Å; R214-L351 HydrophobicContact CG-CD2 4.43Å; W217-L351 HydrophobicContact CB-CD1 4.01Å; W217-L351 HydrophobicContact CD2-CB 4.1Å; W217-L351 HydrophobicContact CG-CB 4.09Å; W217-L351 HydrophobicContact CG-CD1 4.06Å; S349-L351 PolarHBondContact O-N 3.1Å; S349-L351 PolarHBondContact OG-N 3.11Å; L351-G353 PolarHBondContact O-N 2.99Å; L351-K354 HydrophobicContact CB-CB 4.22Å; L351-K354 HydrophobicContact CB-CD 4.4Å; L351-K354 HydrophobicContact CD2-CB 4.43Å; L351-K354 HydrophobicContact CD2-CD 4.14Å; L351-K354 HydrophobicContact CG-CB 4.45Å; L351-K354 WeakPolarHBondContact O-CB 3.33Å; L351-K354 PolarHBondContact O-N 3.4Å; L351-K354 VanDerWaalsContact O-N 3.12Å
352	K	73.4	Confident	67	Low	176 Å²	176	66.6 Å²	66.6	77%	0.765	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	133.4	-175.3	-71.2	-178.5	179.7	176.3	0	111	K354	K352-K354 VanDerWaalsContact C-N 3.25Å; K352-K354 PolarHBondContact O-N 3.34Å
353	G	62.6	Low	65.4	Low	81 Å²	81	67.5 Å²	67.5	84%	0.835	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-10.5	179.2	0	0	0	0	0	115.6	L351 L355	L351-G353 PolarHBondContact O-N 2.99Å; G353-L355 PolarHBondContact O-N 3Å
354	K	69.1	Low	63.8	Low	73 Å²	73	69.9 Å²	69.9	32%	0.317	38%	0.379	S	S	.	.			trans	-84.5	114.9	177.5	-176.6	-178.9	177.5	-170.3	0	110.6	S349 L351 K352	S349-K354 WeakPolarHBondContact CB-O 3.21Å; S349-K354 PolarHBondContact N-O 3.26Å; L351-K354 HydrophobicContact CB-CB 4.22Å; L351-K354 HydrophobicContact CB-CD 4.4Å; L351-K354 HydrophobicContact CD2-CB 4.43Å; L351-K354 HydrophobicContact CD2-CD 4.14Å; L351-K354 HydrophobicContact CG-CB 4.45Å; L351-K354 WeakPolarHBondContact O-CB 3.33Å; L351-K354 PolarHBondContact O-N 3.4Å; L351-K354 VanDerWaalsContact O-N 3.12Å; K352-K354 VanDerWaalsContact C-N 3.25Å; K352-K354 PolarHBondContact O-N 3.34Å
355	L	57.3	Low	62.4	Low	134 Å²	134	72.7 Å²	72.7	70%	0.702	40%	0.404	S	S	*	.	B	Isolated β-bridge	trans	-83.4	133.6	170.2	-65.9	172.9	0	0	0	110	L347 G353	L347-L355 CarbonylContact O-C 3.58Å; L347-L355 WeakPolarHBondContact O-CA 3.41Å; G353-L355 PolarHBondContact O-N 3Å
356	Q	59	Low	61	Low	47 Å²	47	70.3 Å²	70.3	22%	0.22	39%	0.39	C	S	.	.			trans	-110	107	173.8	178.3	57.4	-73.9	0	0	109.2	H344 G346 L347 L358	H344-Q356 WeakPolarHBondContact CE1-CG 3.31Å; G346-Q356 VanDerWaalsContact O-O 3.09Å; L347-Q356 PolarHBondContact O-N 3.14Å; Q356-L358 VanDerWaalsContact OE1-CB 3.26Å
357	T	50.2	Low	59.7	Low	104 Å²	104	70.9 Å²	70.9	64%	0.638	40%	0.395	S	S	*	.			trans	-108.9	-1.5	-177.4	56.3	0	0	0	0	112.8	K359	T357-K359 PolarHBondContact O-N 3.11Å
358	L	61.5	Low	58.6	Low	99 Å²	99	69.9 Å²	69.9	52%	0.518	40%	0.399	S	S	.	.			trans	-63.3	132.3	178.3	-66.2	175.7	0	0	0	110.6	L276 Q356	L276-L358 HydrophobicContact CD1-CB 4.34Å; L276-L358 HydrophobicContact CD2-CB 4.22Å; Q356-L358 VanDerWaalsContact OE1-CB 3.26Å
359	K	55.8	Low	57.5	Low	133 Å²	133	69.2 Å²	69.2	58%	0.578	40%	0.402	S	S	*	.			trans	-133.7	153.4	174.4	-64.7	-171.9	178	-179.9	0	110.1	Q343 T357 K361	Q343-K359 VanDerWaalsContact NE2-CA 3.32Å; Q343-K359 VanDerWaalsContact NE2-CB 3.33Å; T357-K359 PolarHBondContact O-N 3.11Å; K359-K361 PolarHBondContact O-N 2.81Å
360	E	68.4	Low	56.1	Low	3 Å²	3	70.7 Å²	70.7	1%	0.014	41%	0.408	C	S	.	.			trans	-69.8	115.4	172.4	-84.2	-69.5	150.8	0	0	109.3	S274 S275 L276 D362 F363	S274-E360 PolarHBondContact OG-OE1 3.09Å; S274-E360 VanDerWaalsContact OG-OE1 3.05Å; S275-E360 VanDerWaalsContact CA-OE1 3.28Å; S275-E360 WeakPolarHBondContact CA-OE1 3.34Å; S275-E360 WeakPolarHBondContact CB-OE1 3.22Å; S275-E360 PolarHBondContact N-OE1 2.81Å; S275-E360 VanDerWaalsContact OG-CD 3.26Å; S275-E360 PolarHBondContact OG-OE1 2.93Å; S275-E360 PolarHBondContact OG-OE2 2.98Å; L276-E360 HydrophobicContact CD1-CG 4.2Å; L276-E360 HydrophobicContact CG-CG 4.16Å; L276-E360 WeakPolarHBondContact CG-OE1 3.47Å; L276-E360 PolarHBondContact N-OE1 2.97Å; L276-E360 VanDerWaalsContact N-OE1 3.11Å; E360-D362 PolarHBondContact O-N 3.42Å; E360-F363 HydrophobicContact CB-CB 3.45Å; E360-F363 VanDerWaalsContact CB-CB 3.45Å; E360-F363 PolarHBondContact O-N 3.47Å
361	K	59.5	Low	54.5	Low	189 Å²	189	76.2 Å²	76.2	82%	0.822	43%	0.43	S	S	*	.	H	α-helix	trans	-57.3	-38.2	-179.3	-63	-176.1	-178.9	-179.2	0	111.5	K359	K359-K361 PolarHBondContact O-N 2.81Å
362	D	62.7	Low	53.3	Low	66 Å²	66	77.7 Å²	77.7	35%	0.353	44%	0.441	S	S	.	.	H	α-helix	trans	-88.5	-5.9	-177.5	-50.4	-31.7	0	0	0	112.5	K338 P339 E360 A366	K338-D362 WeakPolarHBondContact CD-OD2 3.32Å; K338-D362 WeakPolarHBondContact CE-OD2 3.11Å; K338-D362 IonicContact NZ-OD2 2.86Å; K338-D362 PolarHBondContact NZ-OD2 3.3Å; P339-D362 HydrophobicContact CB-CB 4.4Å; E360-D362 PolarHBondContact O-N 3.42Å; D362-A366 VanDerWaalsContact O-CB 3.26Å; D362-A366 WeakPolarHBondContact O-CB 3.33Å; D362-A366 PolarHBondContact O-N 2.9Å
363	F	57.2	Low	52.7	Low	21 Å²	21	70.6 Å²	70.6	9%	0.092	41%	0.412	C	S	.	.	H	α-helix	trans	-76.3	-42.3	175.5	-171.8	-85.3	0	0	0	110.7	V247 K249 F342 Q343 E360 A366 A367	V247-F363 HydrophobicContact CG2-CE1 4.27Å; V247-F363 HydrophobicContact CG2-CZ 3.99Å; K249-F363 HydrophobicContact CD-CE2 4.46Å; K249-F363 HydrophobicContact CG-CE2 3.85Å; K249-F363 HydrophobicContact CG-CZ 4.25Å; F342-F363 WeakPolarHBondContact O-CD2 3.49Å; Q343-F363 HydrophobicContact CB-CB 4.32Å; Q343-F363 HydrophobicContact CB-CD1 3.36Å; Q343-F363 HydrophobicContact CB-CD2 3.59Å; Q343-F363 HydrophobicContact CB-CE1 3.31Å; Q343-F363 HydrophobicContact CB-CE2 3.54Å; Q343-F363 HydrophobicContact CB-CG 3.5Å; Q343-F363 VanDerWaalsContact CB-CG 3.5Å; Q343-F363 HydrophobicContact CB-CZ 3.41Å; Q343-F363 VanDerWaalsContact CB-CZ 3.41Å; Q343-F363 HydrophobicContact CG-CD1 3.64Å; Q343-F363 HydrophobicContact CG-CE1 3.81Å; Q343-F363 HydrophobicContact CG-CG 4.08Å; Q343-F363 HydrophobicContact CG-CZ 4.39Å; Q343-F363 VanDerWaalsContact OE1-CB 3.3Å; E360-F363 HydrophobicContact CB-CB 3.45Å; E360-F363 VanDerWaalsContact CB-CB 3.45Å; E360-F363 PolarHBondContact O-N 3.47Å; F363-A366 CarbonylContact O-C 3.5Å; F363-A366 PolarHBondContact O-N 2.79Å; F363-A367 HydrophobicContact CD1-CB 3.72Å; F363-A367 HydrophobicContact CE1-CB 3.54Å; F363-A367 HydrophobicContact CG-CB 4.48Å; F363-A367 HydrophobicContact CZ-CB 4.18Å; F363-A367 WeakPolarHBondContact O-CA 3.17Å; F363-A367 WeakPolarHBondContact O-CB 3.08Å; F363-A367 PolarHBondContact O-N 3.12Å
364	A	46.2	Very low	53.1	Low	63 Å²	63	68 Å²	68	52%	0.521	38%	0.378	S	S	.	.	H	α-helix	trans	-67.4	-43.1	178.9	0	0	0	0	0	112.2	A366 A368	A364-A366 PolarHBondContact O-N 3.19Å; A364-A368 WeakPolarHBondContact O-CB 3.47Å; A364-A368 PolarHBondContact O-N 3.5Å
365	A	45.4	Very low	53.5	Low	70 Å²	70	69.3 Å²	69.3	58%	0.579	38%	0.383	S	S	*	.	H	α-helix	trans	-60.8	-36.6	176.7	0	0	0	0	0	111.9	A369	A365-A369 WeakPolarHBondContact O-CB 3.42Å; A365-A369 PolarHBondContact O-N 2.7Å
366	A	40.8	Very low	54.5	Low	11 Å²	11	63.9 Å²	63.9	9%	0.091	36%	0.356	C	S	.	.	H	α-helix	trans	-97.8	-19	-178.8	0	0	0	0	0	114.8	P339 D362 F363 A364 I370	P339-A366 HydrophobicContact CB-CB 3.26Å; P339-A366 HydrophobicContact CG-CB 3.34Å; D362-A366 VanDerWaalsContact O-CB 3.26Å; D362-A366 WeakPolarHBondContact O-CB 3.33Å; D362-A366 PolarHBondContact O-N 2.9Å; F363-A366 CarbonylContact O-C 3.5Å; F363-A366 PolarHBondContact O-N 2.79Å; A364-A366 PolarHBondContact O-N 3.19Å; A366-I370 HydrophobicContact CB-CD1 3.85Å; A366-I370 HydrophobicContact CB-CG1 4.35Å; A366-I370 VanDerWaalsContact O-CA 3.32Å; A366-I370 WeakPolarHBondContact O-CA 3.4Å; A366-I370 WeakPolarHBondContact O-CB 3.48Å; A366-I370 VanDerWaalsContact O-CD1 3.28Å; A366-I370 WeakPolarHBondContact O-CD1 3.5Å; A366-I370 WeakPolarHBondContact O-CG1 3.42Å; A366-I370 PolarHBondContact O-N 2.94Å
367	A	38	Very low	55.6	Low	13 Å²	13	62.5 Å²	62.5	11%	0.107	35%	0.349	C	S	.	.	H	α-helix	trans	-79.9	-38.7	169.7	0	0	0	0	0	108.5	F363 Q371	F363-A367 HydrophobicContact CD1-CB 3.72Å; F363-A367 HydrophobicContact CE1-CB 3.54Å; F363-A367 HydrophobicContact CG-CB 4.48Å; F363-A367 HydrophobicContact CZ-CB 4.18Å; F363-A367 WeakPolarHBondContact O-CA 3.17Å; F363-A367 WeakPolarHBondContact O-CB 3.08Å; F363-A367 PolarHBondContact O-N 3.12Å; A367-Q371 WeakPolarHBondContact O-CA 3.47Å; A367-Q371 WeakPolarHBondContact O-CB 3.42Å; A367-Q371 PolarHBondContact O-N 3.32Å
368	A	36.8	Very low	57	Low	63 Å²	63	64 Å²	64	52%	0.521	35%	0.352	S	S	.	.	H	α-helix	trans	-63.5	-43.5	165.9	0	0	0	0	0	111.4	A364 S372	A364-A368 WeakPolarHBondContact O-CB 3.47Å; A364-A368 PolarHBondContact O-N 3.5Å; A368-S372 WeakPolarHBondContact O-CB 3.39Å; A368-S372 PolarHBondContact O-N 2.88Å; A368-S372 PolarHBondContact O-OG 3.4Å
369	A	37.8	Very low	58.4	Low	36 Å²	36	60.5 Å²	60.5	30%	0.298	34%	0.335	S	S	.	.	H	α-helix	trans	-77.4	-35.9	179.9	0	0	0	0	0	115.2	A365 L373	A365-A369 WeakPolarHBondContact O-CB 3.42Å; A365-A369 PolarHBondContact O-N 2.7Å; A369-L373 HydrophobicContact CB-CD1 4.21Å; A369-L373 VanDerWaalsContact O-CB 3.31Å; A369-L373 WeakPolarHBondContact O-CB 3.41Å; A369-L373 PolarHBondContact O-N 3.07Å; A369-L373 VanDerWaalsContact O-N 3.1Å
370	I	42.9	Very low	60.1	Low	48 Å²	48	54.9 Å²	54.9	25%	0.246	31%	0.312	C	S	.	.	H	α-helix	trans	-83.1	-23.4	179	-59	164.8	0	0	0	110.8	K249 P339 A366 F374	K249-I370 HydrophobicContact CD-CD1 4.06Å; P339-I370 HydrophobicContact CG-CD1 3.93Å; A366-I370 HydrophobicContact CB-CD1 3.85Å; A366-I370 HydrophobicContact CB-CG1 4.35Å; A366-I370 VanDerWaalsContact O-CA 3.32Å; A366-I370 WeakPolarHBondContact O-CA 3.4Å; A366-I370 WeakPolarHBondContact O-CB 3.48Å; A366-I370 VanDerWaalsContact O-CD1 3.28Å; A366-I370 WeakPolarHBondContact O-CD1 3.5Å; A366-I370 WeakPolarHBondContact O-CG1 3.42Å; A366-I370 PolarHBondContact O-N 2.94Å; I370-F374 HydrophobicContact CB-CE1 4.16Å; I370-F374 HydrophobicContact CB-CZ 4.42Å; I370-F374 HydrophobicContact CG1-CE1 3.73Å; I370-F374 HydrophobicContact CG1-CZ 3.93Å; I370-F374 HydrophobicContact CG2-CE1 4.25Å; I370-F374 HydrophobicContact CG2-CZ 4.1Å
371	Q	43.6	Very low	61.2	Low	154 Å²	154	59.2 Å²	59.2	72%	0.72	34%	0.34	S	S	*	.	H	α-helix	trans	-98.9	-4.3	177.9	-137.5	164.7	33.2	0	0	112.5	A367	A367-Q371 WeakPolarHBondContact O-CA 3.47Å; A367-Q371 WeakPolarHBondContact O-CB 3.42Å; A367-Q371 PolarHBondContact O-N 3.32Å
372	S	50.8	Low	62.8	Low	47 Å²	47	51.6 Å²	51.6	33%	0.329	31%	0.31	S	S	.	.	H	α-helix	trans	-121.8	-16.6	173.9	79.1	0	0	0	0	117	A368	A368-S372 WeakPolarHBondContact O-CB 3.39Å; A368-S372 PolarHBondContact O-N 2.88Å; A368-S372 PolarHBondContact O-OG 3.4Å
373	L	61	Low	64.4	Low	28 Å²	28	55.5 Å²	55.5	15%	0.147	32%	0.32	C	S	.	.	S	Bend	trans	-111.5	-26.5	-177.4	-63.9	165.5	0	0	0	114.6	A369 S436 L511 S513	A369-L373 HydrophobicContact CB-CD1 4.21Å; A369-L373 VanDerWaalsContact O-CB 3.31Å; A369-L373 WeakPolarHBondContact O-CB 3.41Å; A369-L373 PolarHBondContact O-N 3.07Å; A369-L373 VanDerWaalsContact O-N 3.1Å; L373-S436 VanDerWaalsContact CD2-OG 3.3Å; L373-S436 WeakPolarHBondContact CD2-OG 3.28Å; L373-L511 HydrophobicContact CD2-CD1 4.39Å; L373-S513 WeakPolarHBondContact O-CA 3.5Å; L373-S513 WeakPolarHBondContact O-CB 3.4Å
374	F	70.2	Confident	66.2	Low	27 Å²	27	57 Å²	57	12%	0.118	33%	0.328	C	S	.	.			trans	-157.5	160.4	-174.9	80.1	-84.4	0	0	0	116.1	I370 P376 S404 H405 S513	I370-F374 HydrophobicContact CB-CE1 4.16Å; I370-F374 HydrophobicContact CB-CZ 4.42Å; I370-F374 HydrophobicContact CG1-CE1 3.73Å; I370-F374 HydrophobicContact CG1-CZ 3.93Å; I370-F374 HydrophobicContact CG2-CE1 4.25Å; I370-F374 HydrophobicContact CG2-CZ 4.1Å; F374-P376 HydrophobicContact CD2-CB 4.5Å; F374-P376 HydrophobicContact CE2-CB 4.09Å; F374-P376 HydrophobicContact CE2-CG 4.47Å; F374-S404 WeakPolarHBondContact CD2-O 3.48Å; F374-H405 HydrophobicContact CB-CB 3.82Å; F374-H405 HydrophobicContact CG-CB 4.35Å; F374-S513 CarbonylContact C-O 3.49Å; F374-S513 VanDerWaalsContact C-O 3.32Å; F374-S513 WeakPolarHBondContact CA-O 3.37Å; F374-S513 WeakPolarHBondContact CB-O 3.49Å
375	K	78.3	Confident	68.5	Low	100 Å²	100	58.5 Å²	58.5	44%	0.435	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-121.8	111.8	177.6	-176.9	169	164.4	-144	0	110	H377 S513 E514	K375-H377 PolarHBondContact O-CD2 3.35Å; K375-H377 VanDerWaalsContact O-CD2 3.32Å; K375-S513 PolarHBondContact N-O 3.2Å; K375-E514 HydrophobicContact CB-CB 4.19Å; K375-E514 HydrophobicContact CB-CG 3.98Å; K375-E514 HydrophobicContact CD-CG 4.41Å; K375-E514 VanDerWaalsContact CD-OE1 3.24Å; K375-E514 WeakPolarHBondContact CD-OE1 3.47Å; K375-E514 VanDerWaalsContact CE-OE1 3.27Å; K375-E514 WeakPolarHBondContact CE-OE1 3.45Å; K375-E514 HydrophobicContact CG-CG 4.34Å; K375-E514 IonicContact NZ-OE1 2.74Å; K375-E514 PolarHBondContact NZ-OE1 2.91Å
376	P	78.6	Confident	70.9	Confident	20 Å²	20	56.8 Å²	56.8	13%	0.13	31%	0.312	C	S	.	.			trans	-78.8	146.3	-173.8	29.3	-33.4	0	0	0	113.2	N251 F374 G402	N251-P376 PolarHBondContact ND2-O 3.11Å; F374-P376 HydrophobicContact CD2-CB 4.5Å; F374-P376 HydrophobicContact CE2-CB 4.09Å; F374-P376 HydrophobicContact CE2-CG 4.47Å; P376-G402 WeakPolarHBondContact CB-O 3.37Å
377	H	81.6	Confident	73.5	Confident	18 Å²	18	60 Å²	60	8%	0.083	33%	0.331	C	S	.	.			trans	-143.3	153.7	177.9	-68.1	-79.7	0	0	0	112	K375 E514 W516	K375-H377 PolarHBondContact O-CD2 3.35Å; K375-H377 VanDerWaalsContact O-CD2 3.32Å; H377-E514 IonicContact CD2-OE1 3.24Å; H377-E514 IonicContact CE1-OE1 2.96Å; H377-E514 WeakPolarHBondContact NE2-CG 3.33Å; H377-E514 IonicContact NE2-OE1 3.27Å; H377-E514 PolarHBondContact NE2-OE1 3.49Å; H377-W516 HydrophobicContact CB-CB 4.23Å; H377-W516 HydrophobicContact CB-CG 4.17Å; H377-W516 VanDerWaalsContact CD2-CB 3.49Å; H377-W516 WeakPolarHBondContact CD2-CB 3.19Å; H377-W516 AromaticContact CD2-CG 3.88Å; H377-W516 AromaticContact CE1-CD1 4Å; H377-W516 AromaticContact CE1-CD2 3.54Å; H377-W516 AromaticContact CE1-CE3 3.9Å; H377-W516 AromaticContact CE1-CG 3.55Å; H377-W516 AromaticContact CG-CD1 3.58Å; H377-W516 AromaticContact CG-CG 3.58Å; H377-W516 AromaticContact ND1-CD1 3.38Å; H377-W516 AromaticContact ND1-CD2 3.68Å; H377-W516 AromaticContact ND1-CE2 3.84Å; H377-W516 AromaticContact ND1-CG 3.4Å; H377-W516 AromaticContact ND1-NE1 3.64Å; H377-W516 AromaticContact NE2-CG 3.84Å
378	L	79.9	Confident	76.3	Confident	134 Å²	134	59.9 Å²	59.9	70%	0.702	33%	0.328	S	S	*	.			trans	-90.8	105.1	170	-71.8	170.6	0	0	0	109.7
379	N	90	Very high	78.9	Confident	27 Å²	27	64.7 Å²	64.7	14%	0.144	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-96.1	153.8	-179.1	-65.4	-53.9	0	0	0	111.8	Y400 L515 W516 I517	N379-Y400 HydrophobicContact CB-CD1 3.89Å; N379-Y400 HydrophobicContact CB-CD2 4.25Å; N379-Y400 HydrophobicContact CB-CE1 3.37Å; N379-Y400 HydrophobicContact CB-CE2 3.78Å; N379-Y400 HydrophobicContact CB-CG 4.3Å; N379-Y400 PolarHBondContact ND2-O 2.87Å; N379-L515 PolarHBondContact ND2-O 3.41Å; N379-L515 PolarHBondContact OD1-O 2.87Å; N379-W516 WeakPolarHBondContact OD1-CA 3.29Å; N379-I517 HydrophobicContact CB-CB 4.48Å; N379-I517 HydrophobicContact CB-CG1 4.35Å; N379-I517 PolarHBondContact OD1-N 3.01Å
380	P	92.5	Very high	81.4	Confident	15 Å²	15	66.9 Å²	66.9	10%	0.097	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-65.9	158.1	-178.1	28.5	-35.3	0	0	0	112.3	C382 Y400 F421 V425 I517 V519	P380-C382 PolarHBondContact O-N 3.23Å; P380-Y400 VanDerWaalsContact O-CE1 3.24Å; P380-Y400 WeakPolarHBondContact O-CE1 3.48Å; P380-Y400 PolarHBondContact O-OH 3.48Å; P380-F421 HydrophobicContact CG-CD1 3.95Å; P380-F421 HydrophobicContact CG-CE1 3.79Å; P380-V425 HydrophobicContact CB-CG1 3.93Å; P380-V425 HydrophobicContact CG-CG1 4.2Å; P380-I517 HydrophobicContact CG-CB 4.3Å; P380-I517 HydrophobicContact CG-CG2 3.87Å; P380-V519 HydrophobicContact CB-CG1 4.49Å; P380-V519 HydrophobicContact CG-CG1 4Å
381	P	91.2	Very high	83	Confident	93 Å²	93	67.8 Å²	67.8	60%	0.604	34%	0.342	S	S	*	.	S	Bend	trans	-57	131.4	178	-24.1	34.1	0	0	0	112.8	T422	P381-T422 PolarHBondContact O-N 3.32Å; P381-T422 VanDerWaalsContact O-N 3.16Å
382	C	93.7	Very high	84.8	Confident	29 Å²	29	67.4 Å²	67.4	20%	0.196	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	170.2	179.6	71	0	0	0	0	112	P380 L384 Y400 I419 E420 F421	P380-C382 PolarHBondContact O-N 3.23Å; C382-L384 VanDerWaalsContact SG-CD2 3.56Å; C382-Y400 HydrophobicContact CB-CE1 4.48Å; C382-Y400 WeakPolarHBondContact SG-CE1 3.48Å; C382-Y400 PolarHBondContact SG-OH 3.28Å; C382-I419 HydrophobicContact CB-CG2 3.83Å; C382-E420 CarbonylContact C-O 3.53Å; C382-E420 WeakPolarHBondContact CA-O 3.39Å; C382-E420 WeakPolarHBondContact CB-O 3.34Å; C382-F421 HydrophobicContact CB-CD1 4.13Å
383	R	95	Very high	85.9	Confident	148 Å²	148	69.9 Å²	69.9	56%	0.558	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.9	159.7	-62.4	-179.4	177.9	-151.3	-1.2	108.6	E420 T422	R383-E420 HydrophobicContact CB-CB 4.27Å; R383-E420 PolarHBondContact N-O 3.44Å; R383-E420 PolarHBondContact O-N 3.06Å; R383-T422 HydrophobicContact CG-CG2 4.28Å
384	L	95.3	Very high	86.8	Confident	52 Å²	52	70.8 Å²	70.8	27%	0.272	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.2	179.4	-64.4	169	0	0	0	109.3	C382 L396 E397 Y400 I419	C382-L384 VanDerWaalsContact SG-CD2 3.56Å; L384-L396 HydrophobicContact CB-CD2 4.15Å; L384-L396 HydrophobicContact CD1-CG 4.35Å; L384-L396 HydrophobicContact CD2-CD2 4.2Å; L384-L396 HydrophobicContact CD2-CG 4.27Å; L384-E397 HydrophobicContact CD1-CB 4.15Å; L384-E397 HydrophobicContact CD1-CG 4.34Å; L384-Y400 HydrophobicContact CD1-CD1 4.21Å; L384-Y400 HydrophobicContact CD1-CD2 4.48Å; L384-Y400 HydrophobicContact CD1-CG 3.85Å; L384-Y400 HydrophobicContact CD2-CD2 3.8Å; L384-Y400 HydrophobicContact CD2-CE2 4.25Å; L384-Y400 HydrophobicContact CD2-CG 4.01Å; L384-Y400 HydrophobicContact CG-CG 4.45Å; L384-I419 HydrophobicContact CD2-CB 4.27Å; L384-I419 HydrophobicContact CD2-CD1 4.48Å; L384-I419 HydrophobicContact CD2-CG1 3.78Å; L384-I419 HydrophobicContact CD2-CG2 4.12Å
385	N	94.9	Very high	87.7	Confident	96 Å²	96	70.9 Å²	70.9	51%	0.513	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.8	171.4	-175	14.3	0	0	0	109.3	N418	N385-N418 HydrophobicContact CB-CB 4.41Å; N385-N418 PolarHBondContact N-O 3.27Å; N385-N418 PolarHBondContact O-N 3.03Å
386	S	95.5	Very high	88.5	Confident	34 Å²	34	66.8 Å²	66.8	24%	0.238	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	141.2	173.7	-170.6	0	0	0	0	111.2	L388 R416	S386-L388 VanDerWaalsContact C-N 3.35Å; S386-L388 WeakPolarHBondContact OG-CB 3.36Å; S386-L388 PolarHBondContact OG-N 3.07Å; S386-R416 VanDerWaalsContact CA-O 3.3Å; S386-R416 WeakPolarHBondContact CA-O 3.5Å; S386-R416 PolarHBondContact OG-O 3.43Å; S386-R416 VanDerWaalsContact OG-O 3.05Å
387	T	96.5	Very high	89.1	Confident	79 Å²	79	70.6 Å²	70.6	49%	0.485	36%	0.356	S	S	.	.			trans	-83.4	-17	171.7	61.5	0	0	0	0	112.2	K389 D415 R416	T387-K389 PolarHBondContact O-N 3.33Å; T387-D415 VanDerWaalsContact CB-OD1 3.31Å; T387-D415 WeakPolarHBondContact CB-OD1 3.43Å; T387-D415 VanDerWaalsContact OG1-CA 3.23Å; T387-D415 WeakPolarHBondContact OG1-CA 3.49Å; T387-D415 PolarHBondContact OG1-OD1 3.27Å; T387-R416 PolarHBondContact N-O 2.92Å; T387-R416 PolarHBondContact OG1-N 3.02Å; T387-R416 PolarHBondContact OG1-O 3.34Å
388	L	95.7	Very high	89.1	Confident	9 Å²	9	72.1 Å²	72.1	5%	0.047	36%	0.364	C	S	.	.	S	Bend	trans	-65.2	125.1	177.7	-69.6	164.7	0	0	0	110.5	S386 H390 F406 A408 P411 D415 F502 L510	S386-L388 VanDerWaalsContact C-N 3.35Å; S386-L388 WeakPolarHBondContact OG-CB 3.36Å; S386-L388 PolarHBondContact OG-N 3.07Å; L388-H390 PolarHBondContact O-N 3.32Å; L388-F406 HydrophobicContact CB-CE1 4.41Å; L388-F406 HydrophobicContact CB-CZ 3.83Å; L388-F406 HydrophobicContact CD1-CE1 3.77Å; L388-F406 HydrophobicContact CD1-CZ 4.01Å; L388-A408 HydrophobicContact CB-CB 3.94Å; L388-A408 HydrophobicContact CD2-CB 4.41Å; L388-P411 HydrophobicContact CD2-CB 3.83Å; L388-P411 HydrophobicContact CD2-CG 3.82Å; L388-D415 HydrophobicContact CD2-CB 3.93Å; L388-D415 WeakPolarHBondContact CD2-OD2 2.97Å; L388-D415 HydrophobicContact CG-CB 4.24Å; L388-F502 HydrophobicContact CD1-CD2 4.36Å; L388-F502 HydrophobicContact CD1-CE2 3.72Å; L388-F502 HydrophobicContact CD1-CZ 3.98Å; L388-L510 HydrophobicContact CD1-CD2 4.01Å
389	K	93	Very high	89.6	Confident	164 Å²	164	66.1 Å²	66.1	71%	0.713	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-75.9	121.3	173.2	-67.2	-177.8	-177.9	176.5	0	109.1	T387 A408 F409	T387-K389 PolarHBondContact O-N 3.33Å; K389-A408 VanDerWaalsContact O-CA 3.3Å; K389-A408 WeakPolarHBondContact O-CA 3.23Å; K389-A408 WeakPolarHBondContact O-CB 3.48Å; K389-F409 HydrophobicContact CB-CD2 3.81Å; K389-F409 HydrophobicContact CB-CE2 4.47Å; K389-F409 VanDerWaalsContact O-CD2 3.26Å; K389-F409 WeakPolarHBondContact O-CD2 3.2Å; K389-F409 PolarHBondContact O-N 3.43Å
390	H	89.1	Confident	89.7	Confident	83 Å²	83	65.5 Å²	65.5	38%	0.384	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-85.7	152.4	177.6	60.2	-88.8	0	0	0	112.1	L388 K392 F406 W407	L388-H390 PolarHBondContact O-N 3.32Å; H390-K392 PolarHBondContact CD2-O 2.72Å; H390-K392 VanDerWaalsContact CD2-O 3.25Å; H390-F406 HydrophobicContact CB-CD2 4.36Å; H390-F406 HydrophobicContact CB-CE2 3.91Å; H390-W407 CarbonylContact C-O 3.51Å; H390-W407 WeakPolarHBondContact CA-O 3.39Å
391	Y	77.1	Confident	89.2	Confident	66 Å²	66	70.4 Å²	70.4	26%	0.259	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-83.9	125.3	173	-176.6	-114.4	0	0	0	110.3	T393 F394 W407 F409 W509	Y391-T393 PolarHBondContact O-N 3.48Å; Y391-T393 VanDerWaalsContact O-N 3.12Å; Y391-F394 AromaticContact CD1-CD2 3.79Å; Y391-F394 HydrophobicContact CD1-CD2 3.79Å; Y391-F394 AromaticContact CD1-CE2 3.82Å; Y391-F394 HydrophobicContact CD1-CE2 3.82Å; Y391-F394 HydrophobicContact CE1-CE2 4.24Å; Y391-F394 WeakPolarHBondContact O-CB 3.39Å; Y391-F394 WeakPolarHBondContact O-CD2 3.33Å; Y391-F394 PolarHBondContact O-N 3.29Å; Y391-W407 AromaticContact CD1-CE3 3.75Å; Y391-W407 HydrophobicContact CD1-CE3 3.75Å; Y391-W407 AromaticContact CD1-CZ3 3.84Å; Y391-W407 HydrophobicContact CD1-CZ3 3.84Å; Y391-W407 HydrophobicContact CE1-CE3 4.43Å; Y391-W407 HydrophobicContact CE1-CZ3 4.07Å; Y391-W407 PolarHBondContact N-O 2.89Å; Y391-F409 HydrophobicContact CD2-CE1 4.27Å; Y391-F409 AromaticContact CD2-CZ 3.91Å; Y391-F409 HydrophobicContact CD2-CZ 3.91Å; Y391-W509 HydrophobicContact CD1-CZ3 4.14Å; Y391-W509 AromaticContact CD2-CH2 3.68Å; Y391-W509 HydrophobicContact CD2-CH2 3.68Å; Y391-W509 AromaticContact CD2-CZ3 3.77Å; Y391-W509 HydrophobicContact CD2-CZ3 3.77Å; Y391-W509 HydrophobicContact CE2-CH2 4.07Å; Y391-W509 HydrophobicContact CE2-CZ3 4.4Å; Y391-W509 HydrophobicContact CG-CH2 4.06Å; Y391-W509 AromaticContact CG-CZ3 3.63Å; Y391-W509 HydrophobicContact CG-CZ3 3.63Å
392	K	80.3	Confident	88.5	Confident	146 Å²	146	66.5 Å²	66.5	64%	0.635	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	-114.6	175.6	-66.2	179.6	172.3	161.9	0	112.9	H390	H390-K392 PolarHBondContact CD2-O 2.72Å; H390-K392 VanDerWaalsContact CD2-O 3.25Å
393	T	74.2	Confident	87.4	Confident	99 Å²	99	68.4 Å²	68.4	61%	0.607	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	8.5	-175.9	54.2	0	0	0	0	112.7	Y391 T395 N398	Y391-T393 PolarHBondContact O-N 3.48Å; Y391-T393 VanDerWaalsContact O-N 3.12Å; T393-T395 PolarHBondContact O-N 2.86Å; T393-N398 PolarHBondContact O-ND2 2.68Å
394	F	81.1	Confident	86.3	Confident	47 Å²	47	62.3 Å²	62.3	21%	0.206	32%	0.317	C	S	.	.			trans	-82.9	60.1	-179.8	-54.5	-63.5	0	0	0	111.2	Y391 H405 F406 W407	Y391-F394 AromaticContact CD1-CD2 3.79Å; Y391-F394 HydrophobicContact CD1-CD2 3.79Å; Y391-F394 AromaticContact CD1-CE2 3.82Å; Y391-F394 HydrophobicContact CD1-CE2 3.82Å; Y391-F394 HydrophobicContact CE1-CE2 4.24Å; Y391-F394 WeakPolarHBondContact O-CB 3.39Å; Y391-F394 WeakPolarHBondContact O-CD2 3.33Å; Y391-F394 PolarHBondContact O-N 3.29Å; F394-H405 CarbonylContact C-O 3.57Å; F394-H405 AromaticContact CD1-CE1 3.44Å; F394-H405 VanDerWaalsContact CD1-CE1 3.44Å; F394-H405 WeakPolarHBondContact CD1-CE1 3.1Å; F394-H405 AromaticContact CD1-NE2 3.44Å; F394-H405 WeakPolarHBondContact CD1-NE2 3.5Å; F394-H405 AromaticContact CE1-CE1 3.44Å; F394-H405 VanDerWaalsContact CE1-CE1 3.44Å; F394-H405 WeakPolarHBondContact CE1-CE1 3.22Å; F394-H405 AromaticContact CE1-NE2 3.71Å; F394-H405 AromaticContact CG-NE2 3.82Å; F394-F406 WeakPolarHBondContact O-CA 3.35Å; F394-F406 WeakPolarHBondContact O-CD2 3.38Å; F394-W407 HydrophobicContact CB-CB 3.69Å; F394-W407 HydrophobicContact CD2-CB 4.23Å; F394-W407 AromaticContact CD2-CE3 3.77Å; F394-W407 HydrophobicContact CD2-CE3 3.77Å; F394-W407 AromaticContact CE2-CE3 3.84Å; F394-W407 HydrophobicContact CE2-CE3 3.84Å; F394-W407 HydrophobicContact CE2-CZ3 4.25Å; F394-W407 HydrophobicContact CG-CB 4.14Å; F394-W407 PolarHBondContact O-N 3.3Å; F394-W407 VanDerWaalsContact O-N 3.11Å
395	T	88.9	Confident	85.8	Confident	30 Å²	30	60.2 Å²	60.2	18%	0.184	31%	0.306	C	S	.	.			trans	-78.3	157.2	-173.9	69.8	0	0	0	0	112.3	T393 E397 N398 A399	T393-T395 PolarHBondContact O-N 2.86Å; T395-E397 PolarHBondContact O-N 3.22Å; T395-N398 PolarHBondContact O-N 3.05Å; T395-N398 WeakPolarHBondContact OG1-CB 3.48Å; T395-N398 VanDerWaalsContact OG1-CG 3.28Å; T395-N398 PolarHBondContact OG1-N 3.33Å; T395-N398 VanDerWaalsContact OG1-N 3.08Å; T395-N398 PolarHBondContact OG1-ND2 3.22Å; T395-A399 PolarHBondContact O-N 3.18Å; T395-A399 VanDerWaalsContact O-N 3.14Å
396	L	94.3	Very high	85.7	Confident	13 Å²	13	55.8 Å²	55.8	7%	0.068	28%	0.282	C	S	.	.	H	α-helix	trans	-59.7	-37	172.9	177.1	59.2	0	0	0	111.4	L384 N398 A399 Y400 F406 L417 L515	L384-L396 HydrophobicContact CB-CD2 4.15Å; L384-L396 HydrophobicContact CD1-CG 4.35Å; L384-L396 HydrophobicContact CD2-CD2 4.2Å; L384-L396 HydrophobicContact CD2-CG 4.27Å; L396-N398 VanDerWaalsContact C-N 3.32Å; L396-N398 PolarHBondContact O-N 3.01Å; L396-A399 PolarHBondContact O-N 3.35Å; L396-Y400 WeakPolarHBondContact O-CB 3.38Å; L396-Y400 PolarHBondContact O-N 2.85Å; L396-F406 HydrophobicContact CB-CD2 3.9Å; L396-F406 HydrophobicContact CB-CE2 3.93Å; L396-F406 HydrophobicContact CB-CG 4.43Å; L396-L417 HydrophobicContact CD1-CD1 3.61Å; L396-L417 HydrophobicContact CD1-CD2 4.19Å; L396-L417 HydrophobicContact CD1-CG 4.08Å; L396-L417 HydrophobicContact CD2-CD1 3.99Å; L396-L417 HydrophobicContact CD2-CD2 3.85Å; L396-L417 HydrophobicContact CD2-CG 3.56Å; L396-L417 HydrophobicContact CG-CD1 4.41Å; L396-L417 HydrophobicContact CG-CG 4.46Å; L396-L515 HydrophobicContact CD1-CD1 4.08Å
397	E	91.5	Very high	85.5	Confident	101 Å²	101	55.9 Å²	55.9	47%	0.472	28%	0.277	S	S	.	.	H	α-helix	trans	-63.2	-38.2	177.8	-170.5	172	176.6	0	0	112.3	L384 T395 K401	L384-E397 HydrophobicContact CD1-CB 4.15Å; L384-E397 HydrophobicContact CD1-CG 4.34Å; T395-E397 PolarHBondContact O-N 3.22Å; E397-K401 HydrophobicContact CG-CD 4.01Å; E397-K401 WeakPolarHBondContact O-CB 3.33Å; E397-K401 VanDerWaalsContact O-CG 3.26Å; E397-K401 WeakPolarHBondContact O-CG 3.43Å; E397-K401 PolarHBondContact O-N 3.07Å; E397-K401 WeakPolarHBondContact OE1-CE 3.43Å; E397-K401 IonicContact OE1-NZ 2.67Å; E397-K401 PolarHBondContact OE1-NZ 3.21Å
398	N	82.3	Confident	85.3	Confident	50 Å²	50	52.1 Å²	52.1	27%	0.267	25%	0.254	S	S	.	.	H	α-helix	trans	-69.4	-39.7	175.8	-73.5	-22.1	0	0	0	112.1	T393 T395 L396 G402 T403 S404	T393-N398 PolarHBondContact O-ND2 2.68Å; T395-N398 PolarHBondContact O-N 3.05Å; T395-N398 WeakPolarHBondContact OG1-CB 3.48Å; T395-N398 VanDerWaalsContact OG1-CG 3.28Å; T395-N398 PolarHBondContact OG1-N 3.33Å; T395-N398 VanDerWaalsContact OG1-N 3.08Å; T395-N398 PolarHBondContact OG1-ND2 3.22Å; L396-N398 VanDerWaalsContact C-N 3.32Å; L396-N398 PolarHBondContact O-N 3.01Å; N398-G402 PolarHBondContact O-N 3.4Å; N398-T403 VanDerWaalsContact CA-OG1 3.27Å; N398-T403 WeakPolarHBondContact CA-OG1 3.3Å; N398-T403 WeakPolarHBondContact CB-OG1 3.49Å; N398-T403 PolarHBondContact O-N 2.69Å; N398-T403 PolarHBondContact O-OG1 3.09Å; N398-T403 PolarHBondContact OD1-OG1 2.83Å; N398-S404 PolarHBondContact O-N 3.04Å
399	A	89.5	Confident	85.1	Confident	8 Å²	8	56 Å²	56	7%	0.066	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-47.3	173.3	0	0	0	0	0	112	T395 L396 K401 G402 S404 F406	T395-A399 PolarHBondContact O-N 3.18Å; T395-A399 VanDerWaalsContact O-N 3.14Å; L396-A399 PolarHBondContact O-N 3.35Å; A399-K401 VanDerWaalsContact C-N 3.33Å; A399-K401 PolarHBondContact O-N 2.93Å; A399-G402 PolarHBondContact O-N 2.96Å; A399-G402 VanDerWaalsContact O-N 3.12Å; A399-S404 VanDerWaalsContact CA-O 3.31Å; A399-S404 WeakPolarHBondContact CA-O 3.48Å; A399-F406 HydrophobicContact CB-CB 3.67Å
400	Y	91.9	Very high	85	Confident	13 Å²	13	49.5 Å²	49.5	5%	0.051	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-35.2	-178.9	-165.9	-89.8	0	0	0	112.7	N379 P380 C382 L384 L396 G402 I419 L515 I517	N379-Y400 HydrophobicContact CB-CD1 3.89Å; N379-Y400 HydrophobicContact CB-CD2 4.25Å; N379-Y400 HydrophobicContact CB-CE1 3.37Å; N379-Y400 HydrophobicContact CB-CE2 3.78Å; N379-Y400 HydrophobicContact CB-CG 4.3Å; N379-Y400 PolarHBondContact ND2-O 2.87Å; P380-Y400 VanDerWaalsContact O-CE1 3.24Å; P380-Y400 WeakPolarHBondContact O-CE1 3.48Å; P380-Y400 PolarHBondContact O-OH 3.48Å; C382-Y400 HydrophobicContact CB-CE1 4.48Å; C382-Y400 WeakPolarHBondContact SG-CE1 3.48Å; C382-Y400 PolarHBondContact SG-OH 3.28Å; L384-Y400 HydrophobicContact CD1-CD1 4.21Å; L384-Y400 HydrophobicContact CD1-CD2 4.48Å; L384-Y400 HydrophobicContact CD1-CG 3.85Å; L384-Y400 HydrophobicContact CD2-CD2 3.8Å; L384-Y400 HydrophobicContact CD2-CE2 4.25Å; L384-Y400 HydrophobicContact CD2-CG 4.01Å; L384-Y400 HydrophobicContact CG-CG 4.45Å; L396-Y400 WeakPolarHBondContact O-CB 3.38Å; L396-Y400 PolarHBondContact O-N 2.85Å; Y400-G402 VanDerWaalsContact C-N 3.27Å; Y400-G402 PolarHBondContact O-N 3.49Å; Y400-I419 HydrophobicContact CD2-CD1 4.16Å; Y400-I419 HydrophobicContact CD2-CG2 4.46Å; Y400-I419 HydrophobicContact CE2-CD1 4.01Å; Y400-I419 HydrophobicContact CE2-CG2 3.61Å; Y400-L515 HydrophobicContact CD2-CD1 4.05Å; Y400-L515 HydrophobicContact CD2-CD2 3.52Å; Y400-L515 HydrophobicContact CD2-CG 4.47Å; Y400-L515 HydrophobicContact CE2-CD2 3.88Å; Y400-L515 HydrophobicContact CG-CD2 4.46Å; Y400-I517 HydrophobicContact CE2-CG1 4.04Å
401	K	82.7	Confident	85.3	Confident	119 Å²	119	45.7 Å²	45.7	52%	0.517	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-4.3	176.2	-71.4	174.7	175.4	174.4	0	113.8	E397 A399 T403	E397-K401 HydrophobicContact CG-CD 4.01Å; E397-K401 WeakPolarHBondContact O-CB 3.33Å; E397-K401 VanDerWaalsContact O-CG 3.26Å; E397-K401 WeakPolarHBondContact O-CG 3.43Å; E397-K401 PolarHBondContact O-N 3.07Å; E397-K401 WeakPolarHBondContact OE1-CE 3.43Å; E397-K401 IonicContact OE1-NZ 2.67Å; E397-K401 PolarHBondContact OE1-NZ 3.21Å; A399-K401 VanDerWaalsContact C-N 3.33Å; A399-K401 PolarHBondContact O-N 2.93Å; K401-T403 HydrophobicContact CB-CG2 4.14Å; K401-T403 PolarHBondContact O-N 3.44Å
402	G	76.3	Confident	86.2	Confident	11 Å²	11	46.4 Å²	46.4	11%	0.113	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	21.8	-175.8	0	0	0	0	0	113.9	P376 N398 A399 Y400	P376-G402 WeakPolarHBondContact CB-O 3.37Å; N398-G402 PolarHBondContact O-N 3.4Å; A399-G402 PolarHBondContact O-N 2.96Å; A399-G402 VanDerWaalsContact O-N 3.12Å; Y400-G402 VanDerWaalsContact C-N 3.27Å; Y400-G402 PolarHBondContact O-N 3.49Å
403	T	69.9	Low	86.9	Confident	68 Å²	68	42.2 Å²	42.2	42%	0.417	23%	0.234	S	C	.	.	S	Bend	trans	-92.4	-21.5	178.3	59.1	0	0	0	0	112.9	N398 K401	N398-T403 VanDerWaalsContact CA-OG1 3.27Å; N398-T403 WeakPolarHBondContact CA-OG1 3.3Å; N398-T403 WeakPolarHBondContact CB-OG1 3.49Å; N398-T403 PolarHBondContact O-N 2.69Å; N398-T403 PolarHBondContact O-OG1 3.09Å; N398-T403 PolarHBondContact OD1-OG1 2.83Å; K401-T403 HydrophobicContact CB-CG2 4.14Å; K401-T403 PolarHBondContact O-N 3.44Å
404	S	73.1	Confident	87.8	Confident	21 Å²	21	40 Å²	40	15%	0.147	23%	0.231	C	C	.	.	S	Bend	trans	-158	-164.7	175.5	-162.4	0	0	0	0	110.5	F374 N398 A399	F374-S404 WeakPolarHBondContact CD2-O 3.48Å; N398-S404 PolarHBondContact O-N 3.04Å; A399-S404 VanDerWaalsContact CA-O 3.31Å; A399-S404 WeakPolarHBondContact CA-O 3.48Å
405	H	83.6	Confident	88.5	Confident	8 Å²	8	38.7 Å²	38.7	4%	0.037	23%	0.227	C	C	.	.			trans	-100.6	170.1	164.3	52.5	-73.2	0	0	0	111.4	F374 F394 I512	F374-H405 HydrophobicContact CB-CB 3.82Å; F374-H405 HydrophobicContact CG-CB 4.35Å; F394-H405 CarbonylContact C-O 3.57Å; F394-H405 AromaticContact CD1-CE1 3.44Å; F394-H405 VanDerWaalsContact CD1-CE1 3.44Å; F394-H405 WeakPolarHBondContact CD1-CE1 3.1Å; F394-H405 AromaticContact CD1-NE2 3.44Å; F394-H405 WeakPolarHBondContact CD1-NE2 3.5Å; F394-H405 AromaticContact CE1-CE1 3.44Å; F394-H405 VanDerWaalsContact CE1-CE1 3.44Å; F394-H405 WeakPolarHBondContact CE1-CE1 3.22Å; F394-H405 AromaticContact CE1-NE2 3.71Å; F394-H405 AromaticContact CG-NE2 3.82Å; H405-I512 VanDerWaalsContact CB-O 3.25Å; H405-I512 WeakPolarHBondContact CB-O 3.07Å
406	F	93.6	Very high	88.8	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.009	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.9	168.6	174.5	-120.6	0	0	0	108.4	L388 H390 F394 L396 A399 A408 L417 L511 I512	L388-F406 HydrophobicContact CB-CE1 4.41Å; L388-F406 HydrophobicContact CB-CZ 3.83Å; L388-F406 HydrophobicContact CD1-CE1 3.77Å; L388-F406 HydrophobicContact CD1-CZ 4.01Å; H390-F406 HydrophobicContact CB-CD2 4.36Å; H390-F406 HydrophobicContact CB-CE2 3.91Å; F394-F406 WeakPolarHBondContact O-CA 3.35Å; F394-F406 WeakPolarHBondContact O-CD2 3.38Å; L396-F406 HydrophobicContact CB-CD2 3.9Å; L396-F406 HydrophobicContact CB-CE2 3.93Å; L396-F406 HydrophobicContact CB-CG 4.43Å; A399-F406 HydrophobicContact CB-CB 3.67Å; F406-A408 HydrophobicContact CE1-CB 3.86Å; F406-A408 HydrophobicContact CE2-CB 4.32Å; F406-A408 HydrophobicContact CZ-CB 3.71Å; F406-L417 HydrophobicContact CE1-CD1 4.19Å; F406-L511 CarbonylContact O-C 3.5Å; F406-L511 WeakPolarHBondContact O-CA 3.4Å; F406-I512 HydrophobicContact CB-CB 4.19Å; F406-I512 HydrophobicContact CD1-CB 4.43Å; F406-I512 HydrophobicContact CD1-CD1 3.71Å; F406-I512 HydrophobicContact CD1-CG1 3.98Å; F406-I512 HydrophobicContact CE1-CD1 4.35Å; F406-I512 PolarHBondContact N-O 2.93Å; F406-I512 PolarHBondContact O-N 3.13Å
407	W	90.4	Very high	88.9	Confident	36 Å²	36	41.6 Å²	41.6	14%	0.136	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	109.2	176.8	-160.8	17.3	0	0	0	108.7	H390 Y391 F394 H439 D442 W509 L510 L511	H390-W407 CarbonylContact C-O 3.51Å; H390-W407 WeakPolarHBondContact CA-O 3.39Å; Y391-W407 AromaticContact CD1-CE3 3.75Å; Y391-W407 HydrophobicContact CD1-CE3 3.75Å; Y391-W407 AromaticContact CD1-CZ3 3.84Å; Y391-W407 HydrophobicContact CD1-CZ3 3.84Å; Y391-W407 HydrophobicContact CE1-CE3 4.43Å; Y391-W407 HydrophobicContact CE1-CZ3 4.07Å; Y391-W407 PolarHBondContact N-O 2.89Å; F394-W407 HydrophobicContact CB-CB 3.69Å; F394-W407 HydrophobicContact CD2-CB 4.23Å; F394-W407 AromaticContact CD2-CE3 3.77Å; F394-W407 HydrophobicContact CD2-CE3 3.77Å; F394-W407 AromaticContact CE2-CE3 3.84Å; F394-W407 HydrophobicContact CE2-CE3 3.84Å; F394-W407 HydrophobicContact CE2-CZ3 4.25Å; F394-W407 HydrophobicContact CG-CB 4.14Å; F394-W407 PolarHBondContact O-N 3.3Å; F394-W407 VanDerWaalsContact O-N 3.11Å; W407-H439 AromaticContact CH2-CE1 3.64Å; W407-H439 AromaticContact CH2-NE2 3.74Å; W407-H439 AromaticContact CZ2-CE1 3.61Å; W407-H439 AromaticContact CZ2-ND1 3.77Å; W407-H439 AromaticContact CZ2-NE2 3.92Å; W407-D442 PolarHBondContact NE1-OD2 3.17Å; W407-W509 HydrophobicContact CD2-CE3 4.15Å; W407-W509 HydrophobicContact CD2-CZ3 4.36Å; W407-W509 AromaticContact CE2-CE3 3.64Å; W407-W509 HydrophobicContact CG-CE3 4.4Å; W407-W509 AromaticContact CZ2-CE3 3.97Å; W407-W509 HydrophobicContact CZ2-CE3 3.97Å; W407-W509 HydrophobicContact CZ2-CZ3 4.17Å; W407-W509 AromaticContact NE1-CE3 3.62Å; W407-L510 CarbonylContact C-O 3.17Å; W407-L510 WeakPolarHBondContact CA-O 3.22Å; W407-L511 HydrophobicContact CG-CB 4.49Å; W407-L511 HydrophobicContact CG-CD1 4.44Å; W407-L511 HydrophobicContact CG-CG 4.49Å
408	A	93.3	Very high	89.2	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	151.1	-178.4	0	0	0	0	0	111.4	L388 K389 F406 W509 L510	L388-A408 HydrophobicContact CB-CB 3.94Å; L388-A408 HydrophobicContact CD2-CB 4.41Å; K389-A408 VanDerWaalsContact O-CA 3.3Å; K389-A408 WeakPolarHBondContact O-CA 3.23Å; K389-A408 WeakPolarHBondContact O-CB 3.48Å; F406-A408 HydrophobicContact CE1-CB 3.86Å; F406-A408 HydrophobicContact CE2-CB 4.32Å; F406-A408 HydrophobicContact CZ-CB 3.71Å; A408-W509 WeakPolarHBondContact O-CB 3.22Å; A408-L510 PolarHBondContact N-O 2.94Å; A408-L510 PolarHBondContact O-N 3.49Å
409	F	90.5	Very high	89.9	Confident	90 Å²	90	35.7 Å²	35.7	40%	0.395	21%	0.205	S	C	.	.	S	Bend	trans	-57.4	165	164	-63.5	-77.2	0	0	0	110.3	K389 Y391 P411 W509	K389-F409 HydrophobicContact CB-CD2 3.81Å; K389-F409 HydrophobicContact CB-CE2 4.47Å; K389-F409 VanDerWaalsContact O-CD2 3.26Å; K389-F409 WeakPolarHBondContact O-CD2 3.2Å; K389-F409 PolarHBondContact O-N 3.43Å; Y391-F409 HydrophobicContact CD2-CE1 4.27Å; Y391-F409 AromaticContact CD2-CZ 3.91Å; Y391-F409 HydrophobicContact CD2-CZ 3.91Å; F409-P411 WeakPolarHBondContact O-CD 3.43Å; F409-P411 VanDerWaalsContact O-N 3.17Å; F409-W509 HydrophobicContact CD1-CD2 4.19Å; F409-W509 AromaticContact CD1-CE2 3.52Å; F409-W509 AromaticContact CD1-CH2 3.75Å; F409-W509 HydrophobicContact CD1-CH2 3.75Å; F409-W509 AromaticContact CD1-CZ2 3.29Å; F409-W509 HydrophobicContact CD1-CZ2 3.29Å; F409-W509 HydrophobicContact CD1-CZ3 4.34Å; F409-W509 AromaticContact CD1-NE1 3.97Å; F409-W509 AromaticContact CE1-CH2 3.44Å; F409-W509 HydrophobicContact CE1-CH2 3.44Å; F409-W509 VanDerWaalsContact CE1-CH2 3.44Å; F409-W509 AromaticContact CE1-CZ2 3.33Å; F409-W509 HydrophobicContact CE1-CZ2 3.33Å; F409-W509 HydrophobicContact CE1-CZ3 4.25Å; F409-W509 HydrophobicContact CG-CZ2 4.49Å; F409-W509 HydrophobicContact CZ-CH2 4.33Å
410	A	92.3	Very high	90.2	Very high	29 Å²	29	39.4 Å²	39.4	24%	0.24	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-51.2	121.1	-176.4	0	0	0	0	0	112	V412 C506 N508	A410-V412 PolarHBondContact O-N 3.22Å; A410-C506 WeakPolarHBondContact CB-O 3.39Å; A410-N508 VanDerWaalsContact CA-O 3.26Å; A410-N508 WeakPolarHBondContact CA-O 3.48Å; A410-N508 VanDerWaalsContact CB-O 3.25Å; A410-N508 WeakPolarHBondContact CB-O 3.35Å
411	P	95.2	Very high	90.4	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.019	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-55.4	137.4	176.8	-27.6	33.6	0	0	0	111.9	L388 F409 F502 S505 C506 L510	L388-P411 HydrophobicContact CD2-CB 3.83Å; L388-P411 HydrophobicContact CD2-CG 3.82Å; F409-P411 WeakPolarHBondContact O-CD 3.43Å; F409-P411 VanDerWaalsContact O-N 3.17Å; P411-F502 HydrophobicContact CB-CB 4.09Å; P411-F502 HydrophobicContact CB-CD1 3.7Å; P411-F502 HydrophobicContact CB-CE1 4.39Å; P411-F502 HydrophobicContact CB-CG 3.96Å; P411-F502 HydrophobicContact CG-CD1 3.86Å; P411-F502 HydrophobicContact CG-CE1 4.08Å; P411-S505 WeakPolarHBondContact O-CA 3.45Å; P411-C506 PolarHBondContact O-N 3.35Å; P411-L510 HydrophobicContact CG-CB 3.92Å; P411-L510 HydrophobicContact CG-CD2 4.31Å
412	V	94.7	Very high	90.7	Very high	80 Å²	80	36.7 Å²	36.7	49%	0.485	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-103.7	152.1	171.3	-64.4	0	0	0	0	110.6	A410 G414 D415	A410-V412 PolarHBondContact O-N 3.22Å; V412-G414 PolarHBondContact O-N 3.27Å; V412-G414 VanDerWaalsContact O-N 3.15Å; V412-D415 VanDerWaalsContact CG2-OD2 3.28Å; V412-D415 WeakPolarHBondContact CG2-OD2 3.45Å; V412-D415 PolarHBondContact N-OD2 3.37Å; V412-D415 VanDerWaalsContact O-CB 3.31Å; V412-D415 WeakPolarHBondContact O-CB 3.1Å; V412-D415 PolarHBondContact O-N 3.13Å
413	A	94.9	Very high	91.5	Very high	58 Å²	58	40.9 Å²	40.9	48%	0.479	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	123.3	177.3	0	0	0	0	0	111.2	P503 S505	A413-P503 WeakPolarHBondContact CB-O 3.3Å; A413-S505 PolarHBondContact N-OG 3.06Å
414	G	93.6	Very high	92.6	Very high	53 Å²	53	41 Å²	41	55%	0.546	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.6	-7.7	-176.4	0	0	0	0	0	114.5	V412 F502	V412-G414 PolarHBondContact O-N 3.27Å; V412-G414 VanDerWaalsContact O-N 3.15Å; G414-F502 PolarHBondContact N-O 3.31Å
415	D	96.4	Very high	93.5	Very high	20 Å²	20	41 Å²	41	11%	0.107	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	147.8	174	-88.1	-32.2	0	0	0	112.3	T387 L388 V412 F502	T387-D415 VanDerWaalsContact CB-OD1 3.31Å; T387-D415 WeakPolarHBondContact CB-OD1 3.43Å; T387-D415 VanDerWaalsContact OG1-CA 3.23Å; T387-D415 WeakPolarHBondContact OG1-CA 3.49Å; T387-D415 PolarHBondContact OG1-OD1 3.27Å; L388-D415 HydrophobicContact CD2-CB 3.93Å; L388-D415 WeakPolarHBondContact CD2-OD2 2.97Å; L388-D415 HydrophobicContact CG-CB 4.24Å; V412-D415 VanDerWaalsContact CG2-OD2 3.28Å; V412-D415 WeakPolarHBondContact CG2-OD2 3.45Å; V412-D415 PolarHBondContact N-OD2 3.37Å; V412-D415 VanDerWaalsContact O-CB 3.31Å; V412-D415 WeakPolarHBondContact O-CB 3.1Å; V412-D415 PolarHBondContact O-N 3.13Å; D415-F502 HydrophobicContact CB-CB 4.05Å; D415-F502 HydrophobicContact CB-CD2 4.16Å; D415-F502 HydrophobicContact CB-CG 4.38Å; D415-F502 WeakPolarHBondContact O-CD2 3.35Å; D415-F502 PolarHBondContact O-N 3.09Å
416	R	95.6	Very high	94	Very high	104 Å²	104	43.9 Å²	43.9	39%	0.392	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	151.9	-178.6	-65.4	178.2	-179	179	-1.1	112.3	S386 T387 L500	S386-R416 VanDerWaalsContact CA-O 3.3Å; S386-R416 WeakPolarHBondContact CA-O 3.5Å; S386-R416 PolarHBondContact OG-O 3.43Å; S386-R416 VanDerWaalsContact OG-O 3.05Å; T387-R416 PolarHBondContact N-O 2.92Å; T387-R416 PolarHBondContact OG1-N 3.02Å; T387-R416 PolarHBondContact OG1-O 3.34Å; R416-L500 WeakPolarHBondContact CA-O 3.13Å
417	L	96.4	Very high	94	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121.2	169.4	-178.8	170.2	0	0	0	107.5	L396 F406 I419 R499 L500 I512	L396-L417 HydrophobicContact CD1-CD1 3.61Å; L396-L417 HydrophobicContact CD1-CD2 4.19Å; L396-L417 HydrophobicContact CD1-CG 4.08Å; L396-L417 HydrophobicContact CD2-CD1 3.99Å; L396-L417 HydrophobicContact CD2-CD2 3.85Å; L396-L417 HydrophobicContact CD2-CG 3.56Å; L396-L417 HydrophobicContact CG-CD1 4.41Å; L396-L417 HydrophobicContact CG-CG 4.46Å; F406-L417 HydrophobicContact CE1-CD1 4.19Å; L417-I419 HydrophobicContact CD2-CD1 4.04Å; L417-I419 HydrophobicContact CD2-CG1 3.7Å; L417-R499 CarbonylContact O-C 3.59Å; L417-R499 VanDerWaalsContact O-CA 3.29Å; L417-R499 WeakPolarHBondContact O-CA 3.26Å; L417-L500 HydrophobicContact CB-CB 4.22Å; L417-L500 PolarHBondContact N-O 3.42Å; L417-L500 PolarHBondContact O-N 3.27Å; L417-I512 HydrophobicContact CD1-CD1 4.07Å
418	N	96.6	Very high	94.2	Very high	27 Å²	27	43.9 Å²	43.9	14%	0.144	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.6	-177.3	-61.6	-27.8	0	0	0	110.6	N385 R499	N385-N418 HydrophobicContact CB-CB 4.41Å; N385-N418 PolarHBondContact N-O 3.27Å; N385-N418 PolarHBondContact O-N 3.03Å; N418-R499 VanDerWaalsContact OD1-CD 3.32Å; N418-R499 WeakPolarHBondContact OD1-CD 3.48Å; N418-R499 VanDerWaalsContact OD1-CG 3.22Å; N418-R499 WeakPolarHBondContact OD1-CG 3.38Å
419	I	97.3	Very high	94.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	101.2	174.1	-53.8	179.8	0	0	0	106.4	C382 L384 Y400 L417 F421 F432 S497 L498 L515	C382-I419 HydrophobicContact CB-CG2 3.83Å; L384-I419 HydrophobicContact CD2-CB 4.27Å; L384-I419 HydrophobicContact CD2-CD1 4.48Å; L384-I419 HydrophobicContact CD2-CG1 3.78Å; L384-I419 HydrophobicContact CD2-CG2 4.12Å; Y400-I419 HydrophobicContact CD2-CD1 4.16Å; Y400-I419 HydrophobicContact CD2-CG2 4.46Å; Y400-I419 HydrophobicContact CE2-CD1 4.01Å; Y400-I419 HydrophobicContact CE2-CG2 3.61Å; L417-I419 HydrophobicContact CD2-CD1 4.04Å; L417-I419 HydrophobicContact CD2-CG1 3.7Å; I419-F421 HydrophobicContact CG2-CD1 4.28Å; I419-F421 HydrophobicContact CG2-CE1 3.68Å; I419-F421 HydrophobicContact CG2-CZ 3.92Å; I419-F432 HydrophobicContact CD1-CZ 4.08Å; I419-S497 CarbonylContact O-C 3.56Å; I419-S497 WeakPolarHBondContact O-CA 3.37Å; I419-S497 WeakPolarHBondContact O-CB 3.46Å; I419-L498 HydrophobicContact CB-CB 4.33Å; I419-L498 HydrophobicContact CD1-CD2 4.22Å; I419-L498 PolarHBondContact N-O 3.34Å; I419-L498 PolarHBondContact O-N 2.95Å; I419-L515 HydrophobicContact CD1-CD1 4.39Å; I419-L515 HydrophobicContact CD1-CD2 4.5Å
420	E	96.5	Very high	94.6	Very high	85 Å²	85	39.6 Å²	39.6	40%	0.397	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	110.6	-179	-69.1	175.2	-174.9	0	0	109.9	C382 R383	C382-E420 CarbonylContact C-O 3.53Å; C382-E420 WeakPolarHBondContact CA-O 3.39Å; C382-E420 WeakPolarHBondContact CB-O 3.34Å; R383-E420 HydrophobicContact CB-CB 4.27Å; R383-E420 PolarHBondContact N-O 3.44Å; R383-E420 PolarHBondContact O-N 3.06Å
421	F	95.4	Very high	94.8	Very high	7 Å²	7	38.2 Å²	38.2	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.6	-176.4	-58.8	-65.8	0	0	0	111.5	P380 C382 I419 P423 V425 T495 S496 L498 I517	P380-F421 HydrophobicContact CG-CD1 3.95Å; P380-F421 HydrophobicContact CG-CE1 3.79Å; C382-F421 HydrophobicContact CB-CD1 4.13Å; I419-F421 HydrophobicContact CG2-CD1 4.28Å; I419-F421 HydrophobicContact CG2-CE1 3.68Å; I419-F421 HydrophobicContact CG2-CZ 3.92Å; F421-P423 CarbonylContact C-O 3.47Å; F421-P423 VanDerWaalsContact C-O 3.28Å; F421-P423 CarbonylContact O-C 3.53Å; F421-V425 HydrophobicContact CB-CG1 4.13Å; F421-V425 HydrophobicContact CB-CG2 4.23Å; F421-V425 HydrophobicContact CD1-CG1 4.28Å; F421-V425 HydrophobicContact CD1-CG2 4.03Å; F421-V425 HydrophobicContact CD2-CG2 3.69Å; F421-V425 HydrophobicContact CE1-CG2 4.33Å; F421-V425 HydrophobicContact CE2-CG2 4Å; F421-V425 HydrophobicContact CG-CG1 4.24Å; F421-V425 HydrophobicContact CG-CG2 3.7Å; F421-V425 HydrophobicContact CZ-CG2 4.31Å; F421-T495 HydrophobicContact CD2-CG2 4.13Å; F421-T495 HydrophobicContact CE2-CG2 3.94Å; F421-S496 PolarHBondContact N-O 2.66Å; F421-L498 HydrophobicContact CE2-CB 4.09Å; F421-L498 HydrophobicContact CZ-CB 4.23Å; F421-I517 HydrophobicContact CE1-CG2 3.94Å; F421-I517 HydrophobicContact CZ-CG2 3.86Å
422	T	90.2	Very high	94.9	Very high	68 Å²	68	38.1 Å²	38.1	42%	0.417	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	97.2	-178.8	58.4	0	0	0	0	110.3	P381 R383	P381-T422 PolarHBondContact O-N 3.32Å; P381-T422 VanDerWaalsContact O-N 3.16Å; R383-T422 HydrophobicContact CG-CG2 4.28Å
423	P	92.1	Very high	94.8	Very high	99 Å²	99	34.7 Å²	34.7	64%	0.643	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	cis	-75.2	170.3	1.2	33.4	-37	0	0	0	113.5	F421	F421-P423 CarbonylContact C-O 3.47Å; F421-P423 VanDerWaalsContact C-O 3.28Å; F421-P423 CarbonylContact O-C 3.53Å
424	P	92.2	Very high	94.7	Very high	72 Å²	72	32.2 Å²	32.2	47%	0.468	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	149.2	169.6	-26.7	35.2	0	0	0	113	T495	P424-T495 WeakPolarHBondContact CA-O 3.38Å; P424-T495 WeakPolarHBondContact CB-O 3.34Å
425	V	93.7	Very high	94.4	Very high	20 Å²	20	30 Å²	30	12%	0.121	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	153.4	-172.9	-63.6	0	0	0	0	112.6	P380 F421 L427 P494 T495 V519	P380-V425 HydrophobicContact CB-CG1 3.93Å; P380-V425 HydrophobicContact CG-CG1 4.2Å; F421-V425 HydrophobicContact CB-CG1 4.13Å; F421-V425 HydrophobicContact CB-CG2 4.23Å; F421-V425 HydrophobicContact CD1-CG1 4.28Å; F421-V425 HydrophobicContact CD1-CG2 4.03Å; F421-V425 HydrophobicContact CD2-CG2 3.69Å; F421-V425 HydrophobicContact CE1-CG2 4.33Å; F421-V425 HydrophobicContact CE2-CG2 4Å; F421-V425 HydrophobicContact CG-CG1 4.24Å; F421-V425 HydrophobicContact CG-CG2 3.7Å; F421-V425 HydrophobicContact CZ-CG2 4.31Å; V425-L427 PolarHBondContact O-N 3.5Å; V425-P494 CarbonylContact O-C 3.51Å; V425-P494 WeakPolarHBondContact O-CA 3.24Å; V425-T495 PolarHBondContact N-O 3.41Å; V425-T495 PolarHBondContact O-N 3.34Å; V425-V519 HydrophobicContact CB-CG1 3.75Å; V425-V519 HydrophobicContact CG1-CG1 4.23Å; V425-V519 HydrophobicContact CG2-CG1 3.84Å
426	N	93.5	Very high	93.4	Very high	68 Å²	68	30 Å²	30	36%	0.364	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	91.2	168	-70.8	-22.6	0	0	0	109	S428 V492 V519 Q520	N426-S428 PolarHBondContact O-N 3.48Å; N426-V492 HydrophobicContact CB-CB 4.17Å; N426-V492 HydrophobicContact CB-CG2 4.29Å; N426-V519 VanDerWaalsContact O-CA 3.32Å; N426-V519 WeakPolarHBondContact O-CA 3.43Å; N426-Q520 PolarHBondContact O-N 3.42Å
427	L	94.1	Very high	92.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	119.8	-174.1	-170.6	68.3	0	0	0	110.3	V425 F430 I451 F489 V492 V493 T495 I517 R518	V425-L427 PolarHBondContact O-N 3.5Å; L427-F430 HydrophobicContact CD2-CD1 4.21Å; L427-I451 HydrophobicContact CD2-CG2 4.1Å; L427-F489 HydrophobicContact CD2-CD2 4.43Å; L427-F489 HydrophobicContact CD2-CE2 3.59Å; L427-F489 HydrophobicContact CD2-CZ 4.25Å; L427-F489 HydrophobicContact CG-CD2 4.27Å; L427-F489 HydrophobicContact CG-CE2 3.85Å; L427-V492 WeakPolarHBondContact O-CA 3.41Å; L427-V493 WeakPolarHBondContact CB-O 3.44Å; L427-V493 PolarHBondContact N-O 2.98Å; L427-V493 PolarHBondContact O-N 2.98Å; L427-T495 WeakPolarHBondContact CB-OG1 3.41Å; L427-T495 HydrophobicContact CD2-CG2 4.14Å; L427-I517 HydrophobicContact CD1-CG2 3.57Å; L427-R518 WeakPolarHBondContact CD1-O 3.34Å
428	S	94	Very high	91	Very high	38 Å²	38	39.1 Å²	39.1	27%	0.266	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-19.1	172.5	61	0	0	0	0	112.2	N426 F489 R518	N426-S428 PolarHBondContact O-N 3.48Å; S428-F489 PolarHBondContact O-N 3.09Å; S428-R518 PolarHBondContact N-O 3.42Å; S428-R518 VanDerWaalsContact OG-C 3.29Å; S428-R518 WeakPolarHBondContact OG-CB 3.11Å; S428-R518 PolarHBondContact OG-O 3.43Å; S428-R518 VanDerWaalsContact OG-O 3.08Å
429	G	94.9	Very high	90.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.9	-176.2	172.6	0	0	0	0	0	112.7	V487 R518	G429-V487 CarbonylContact C-O 3.58Å; G429-V487 WeakPolarHBondContact CA-O 3.24Å; G429-R518 PolarHBondContact N-O 2.95Å; G429-R518 WeakPolarHBondContact O-CA 3.46Å; G429-R518 WeakPolarHBondContact O-CB 3.33Å; G429-R518 PolarHBondContact O-N 3.22Å
430	F	96.9	Very high	89.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	163.8	172.4	55.9	-100.3	0	0	0	112	L427 F432 F449 I451 V475 V485 N486 V487 F489 L498 W516 I517 R518	L427-F430 HydrophobicContact CD2-CD1 4.21Å; F430-F432 HydrophobicContact CB-CE2 4.32Å; F430-F432 AromaticContact CD2-CD2 3.7Å; F430-F432 HydrophobicContact CD2-CD2 3.7Å; F430-F432 AromaticContact CD2-CE2 3.82Å; F430-F432 HydrophobicContact CD2-CE2 3.82Å; F430-F432 HydrophobicContact CE2-CD2 4.28Å; F430-F432 HydrophobicContact CE2-CE2 4.46Å; F430-F432 HydrophobicContact CG-CD2 4.5Å; F430-F432 HydrophobicContact CG-CE2 4.25Å; F430-F449 HydrophobicContact CE2-CB 4.42Å; F430-F449 AromaticContact CE2-CD1 3.76Å; F430-F449 HydrophobicContact CE2-CD1 3.76Å; F430-F449 HydrophobicContact CE2-CE1 4.46Å; F430-F449 HydrophobicContact CE2-CG 4.37Å; F430-F449 HydrophobicContact CZ-CB 4.19Å; F430-F449 HydrophobicContact CZ-CD1 4.27Å; F430-I451 HydrophobicContact CE1-CG2 4.3Å; F430-V475 HydrophobicContact CE1-CG2 3.94Å; F430-V475 HydrophobicContact CZ-CG2 3.67Å; F430-V485 HydrophobicContact CE2-CG1 4.39Å; F430-N486 PolarHBondContact O-OD1 3.42Å; F430-V487 HydrophobicContact CD1-CB 4.36Å; F430-V487 HydrophobicContact CD2-CB 4.25Å; F430-V487 HydrophobicContact CD2-CG2 4.37Å; F430-V487 HydrophobicContact CE1-CB 3.97Å; F430-V487 HydrophobicContact CE1-CG1 4.21Å; F430-V487 HydrophobicContact CE1-CG2 4.29Å; F430-V487 HydrophobicContact CE2-CB 3.86Å; F430-V487 HydrophobicContact CE2-CG2 3.58Å; F430-V487 HydrophobicContact CZ-CB 3.71Å; F430-V487 HydrophobicContact CZ-CG1 4.25Å; F430-V487 HydrophobicContact CZ-CG2 3.54Å; F430-V487 PolarHBondContact N-O 3.31Å; F430-V487 PolarHBondContact O-N 3.46Å; F430-F489 HydrophobicContact CD1-CE2 4.44Å; F430-F489 HydrophobicContact CE1-CE2 4.37Å; F430-F489 HydrophobicContact CE1-CZ 4.24Å; F430-L498 HydrophobicContact CD1-CD1 4.14Å; F430-L498 HydrophobicContact CD1-CD2 4.21Å; F430-L498 HydrophobicContact CE1-CD1 3.71Å; F430-L498 HydrophobicContact CG-CD2 4.3Å; F430-L498 HydrophobicContact CZ-CD1 3.98Å; F430-W516 CarbonylContact C-O 3.55Å; F430-W516 WeakPolarHBondContact CA-O 3.39Å; F430-W516 VanDerWaalsContact CB-O 3.3Å; F430-W516 WeakPolarHBondContact CB-O 3.07Å; F430-I517 HydrophobicContact CB-CD1 3.92Å; F430-R518 PolarHBondContact O-NH2 3.38Å
431	T	96.3	Very high	88.9	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.2	172.8	-60.6	0	0	0	0	109.4	R484 V485 N486 E514 W516	T431-R484 VanDerWaalsContact CG2-NH2 3.28Å; T431-V485 CarbonylContact C-O 3.46Å; T431-V485 WeakPolarHBondContact CA-O 3.48Å; T431-N486 PolarHBondContact OG1-OD1 2.71Å; T431-E514 HydrophobicContact CG2-CG 4.34Å; T431-W516 PolarHBondContact N-O 3.13Å; T431-W516 PolarHBondContact O-N 2.86Å
432	F	96.7	Very high	88.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.1	166	-74	-107	0	0	0	108.5	I419 F430 F444 F449 R484 V485 L498 L500 I512 E514 L515 I517	I419-F432 HydrophobicContact CD1-CZ 4.08Å; F430-F432 HydrophobicContact CB-CE2 4.32Å; F430-F432 AromaticContact CD2-CD2 3.7Å; F430-F432 HydrophobicContact CD2-CD2 3.7Å; F430-F432 AromaticContact CD2-CE2 3.82Å; F430-F432 HydrophobicContact CD2-CE2 3.82Å; F430-F432 HydrophobicContact CE2-CD2 4.28Å; F430-F432 HydrophobicContact CE2-CE2 4.46Å; F430-F432 HydrophobicContact CG-CD2 4.5Å; F430-F432 HydrophobicContact CG-CE2 4.25Å; F432-F444 HydrophobicContact CB-CE2 3.92Å; F432-F444 HydrophobicContact CB-CZ 3.86Å; F432-F444 HydrophobicContact CD1-CZ 4.41Å; F432-F449 HydrophobicContact CB-CE1 3.91Å; F432-F449 HydrophobicContact CB-CZ 4.21Å; F432-F449 HydrophobicContact CD1-CE1 4.25Å; F432-F449 HydrophobicContact CD2-CD1 4.29Å; F432-F449 AromaticContact CD2-CE1 3.71Å; F432-F449 HydrophobicContact CD2-CE1 3.71Å; F432-F449 HydrophobicContact CE2-CE1 4.3Å; F432-F449 AromaticContact CG-CE1 3.69Å; F432-F449 HydrophobicContact CG-CE1 3.69Å; F432-F449 HydrophobicContact CG-CZ 4.41Å; F432-R484 CarbonylContact O-C 3.55Å; F432-R484 WeakPolarHBondContact O-CA 3.32Å; F432-V485 PolarHBondContact N-O 3.28Å; F432-V485 PolarHBondContact O-N 2.86Å; F432-L498 HydrophobicContact CE2-CD2 3.76Å; F432-L498 HydrophobicContact CZ-CD2 3.91Å; F432-L500 HydrophobicContact CD1-CD2 4.07Å; F432-L500 HydrophobicContact CE1-CD1 4.17Å; F432-L500 HydrophobicContact CE1-CD2 4.03Å; F432-L500 HydrophobicContact CE2-CD1 4.49Å; F432-L500 HydrophobicContact CZ-CD1 4.02Å; F432-I512 HydrophobicContact CD1-CD1 4.28Å; F432-I512 HydrophobicContact CD1-CG2 3.98Å; F432-E514 CarbonylContact C-O 3.58Å; F432-E514 VanDerWaalsContact CA-O 3.23Å; F432-E514 WeakPolarHBondContact CA-O 3.37Å; F432-L515 HydrophobicContact CD1-CG 4.17Å; F432-L515 HydrophobicContact CE1-CB 4.48Å; F432-L515 HydrophobicContact CE1-CD1 3.71Å; F432-L515 HydrophobicContact CE1-CD2 4.5Å; F432-L515 HydrophobicContact CE1-CG 3.56Å; F432-L515 HydrophobicContact CZ-CD1 4.19Å; F432-L515 HydrophobicContact CZ-CD2 4.27Å; F432-L515 HydrophobicContact CZ-CG 3.8Å; F432-I517 HydrophobicContact CE2-CD1 4.17Å; F432-I517 HydrophobicContact CZ-CD1 4.34Å
433	A	93.7	Very high	88.8	Confident	9 Å²	9	43.2 Å²	43.2	7%	0.074	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	148.7	167.3	0	0	0	0	0	109.3	D483 I512 S513 E514	A433-D483 CarbonylContact C-O 3.58Å; A433-D483 VanDerWaalsContact CA-O 3.27Å; A433-D483 WeakPolarHBondContact CA-O 3.41Å; A433-I512 CarbonylContact O-C 3.51Å; A433-I512 WeakPolarHBondContact O-CA 3.42Å; A433-S513 WeakPolarHBondContact CB-OG 3.36Å; A433-S513 PolarHBondContact O-N 3.21Å; A433-S513 PolarHBondContact O-OG 2.79Å; A433-E514 HydrophobicContact CB-CB 3.48Å; A433-E514 VanDerWaalsContact CB-CB 3.48Å; A433-E514 PolarHBondContact N-O 3.3Å; A433-E514 PolarHBondContact O-N 2.83Å
434	S	93.2	Very high	89	Confident	5 Å²	5	38.5 Å²	38.5	4%	0.035	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154.2	-174.6	-164.9	0	0	0	0	111	D442 V443 D483 L511 S513	S434-D442 PolarHBondContact OG-O 3.36Å; S434-V443 VanDerWaalsContact OG-CA 3.27Å; S434-V443 WeakPolarHBondContact OG-CA 3.41Å; S434-D483 PolarHBondContact N-O 2.94Å; S434-L511 CarbonylContact C-O 3.57Å; S434-L511 WeakPolarHBondContact CA-O 3.35Å; S434-L511 VanDerWaalsContact CB-O 3.25Å; S434-L511 WeakPolarHBondContact CB-O 3.44Å; S434-L511 PolarHBondContact OG-O 3.34Å; S434-S513 PolarHBondContact N-OG 3.09Å
435	G	86.4	Confident	89	Confident	7 Å²	7	36.5 Å²	36.5	7%	0.072	20%	0.197	C	C	.	.			trans	71.6	175.5	-171.2	0	0	0	0	0	113.8	H439 D442 L511 S513	G435-H439 WeakPolarHBondContact CA-O 3.39Å; G435-D442 PolarHBondContact N-O 2.89Å; G435-L511 PolarHBondContact N-O 2.78Å; G435-S513 WeakPolarHBondContact O-CB 3.4Å; G435-S513 PolarHBondContact O-OG 2.72Å
436	S	76	Confident	88.9	Confident	19 Å²	19	36.3 Å²	36.3	13%	0.133	20%	0.2	C	C	.	.			trans	-154.4	176.5	177	66.7	0	0	0	0	110.4	L373 D438 H439 P440	L373-S436 VanDerWaalsContact CD2-OG 3.3Å; L373-S436 WeakPolarHBondContact CD2-OG 3.28Å; S436-D438 PolarHBondContact O-N 2.86Å; S436-D438 PolarHBondContact OG-N 3.27Å; S436-H439 PolarHBondContact N-O 3.06Å; S436-H439 VanDerWaalsContact N-O 3.13Å; S436-H439 CarbonylContact O-C 3.42Å; S436-H439 PolarHBondContact O-N 3.32Å; S436-H439 PolarHBondContact OG-N 3.22Å; S436-P440 VanDerWaalsContact O-CA 3.31Å; S436-P440 WeakPolarHBondContact O-CA 3.5Å; S436-P440 VanDerWaalsContact O-N 3.1Å
437	K	71.8	Confident	89.1	Confident	188 Å²	188	33.1 Å²	33.1	82%	0.817	18%	0.183	S	C	*	.	S	Bend	trans	-59.5	-36.2	175.6	-168.4	-179.3	-177	-175.4	0	112.6
438	D	68.5	Low	89.2	Confident	108 Å²	108	35.2 Å²	35.2	58%	0.578	19%	0.194	S	C	*	.	S	Bend	trans	-87.4	-21.7	-178	-61.2	-27.3	0	0	0	112.3	S436 P440	S436-D438 PolarHBondContact O-N 2.86Å; S436-D438 PolarHBondContact OG-N 3.27Å; D438-P440 VanDerWaalsContact C-CD 3.49Å
439	H	77.7	Confident	89.3	Confident	61 Å²	61	33.4 Å²	33.4	28%	0.282	18%	0.181	S	C	.	.			trans	-130.9	65.8	179.3	-57.2	-76.5	0	0	0	110.6	W407 G435 S436 N441 D442 L511	W407-H439 AromaticContact CH2-CE1 3.64Å; W407-H439 AromaticContact CH2-NE2 3.74Å; W407-H439 AromaticContact CZ2-CE1 3.61Å; W407-H439 AromaticContact CZ2-ND1 3.77Å; W407-H439 AromaticContact CZ2-NE2 3.92Å; G435-H439 WeakPolarHBondContact CA-O 3.39Å; S436-H439 PolarHBondContact N-O 3.06Å; S436-H439 VanDerWaalsContact N-O 3.13Å; S436-H439 CarbonylContact O-C 3.42Å; S436-H439 PolarHBondContact O-N 3.32Å; S436-H439 PolarHBondContact OG-N 3.22Å; H439-N441 PolarHBondContact O-N 3.34Å; H439-D442 HydrophobicContact CB-CB 4.15Å; H439-D442 PolarHBondContact O-N 3.28Å; H439-L511 HydrophobicContact CB-CD1 4.22Å
440	P	81.5	Confident	89.4	Confident	80 Å²	80	33.6 Å²	33.6	52%	0.519	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.6	-174.2	28.4	-36.2	0	0	0	113.2	S436 D438 V443	S436-P440 VanDerWaalsContact O-CA 3.31Å; S436-P440 WeakPolarHBondContact O-CA 3.5Å; S436-P440 VanDerWaalsContact O-N 3.1Å; D438-P440 VanDerWaalsContact C-CD 3.49Å; P440-V443 WeakPolarHBondContact O-CG1 3.36Å
441	N	87.2	Confident	89.3	Confident	101 Å²	101	33.6 Å²	33.6	54%	0.54	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-8	-176.8	-64	-30.5	0	0	0	113.6	H439 V443 N508	H439-N441 PolarHBondContact O-N 3.34Å; N441-V443 PolarHBondContact O-N 2.83Å; N441-N508 WeakPolarHBondContact O-CB 3.3Å; N441-N508 PolarHBondContact O-ND2 3.07Å
442	D	91.6	Very high	89.2	Confident	19 Å²	19	36.4 Å²	36.4	10%	0.102	20%	0.195	C	C	.	.			trans	-86.7	56.3	-178.5	-71.4	2.7	0	0	0	110.9	W407 S434 G435 H439 W509 L511	W407-D442 PolarHBondContact NE1-OD2 3.17Å; S434-D442 PolarHBondContact OG-O 3.36Å; G435-D442 PolarHBondContact N-O 2.89Å; H439-D442 HydrophobicContact CB-CB 4.15Å; H439-D442 PolarHBondContact O-N 3.28Å; D442-W509 CarbonylContact C-O 3.09Å; D442-W509 WeakPolarHBondContact CA-O 3.27Å; D442-W509 WeakPolarHBondContact CB-O 3.16Å; D442-L511 HydrophobicContact CB-CB 3.81Å; D442-L511 PolarHBondContact O-N 3.24Å
443	V	93.6	Very high	88.9	Confident	12 Å²	12	37.2 Å²	37.2	7%	0.073	20%	0.2	C	C	.	.			trans	-112.5	172.3	-169.6	-67.8	0	0	0	0	112.2	S434 P440 N441 N445 D483	S434-V443 VanDerWaalsContact OG-CA 3.27Å; S434-V443 WeakPolarHBondContact OG-CA 3.41Å; P440-V443 WeakPolarHBondContact O-CG1 3.36Å; N441-V443 PolarHBondContact O-N 2.83Å; V443-N445 PolarHBondContact O-ND2 3.03Å; V443-D483 HydrophobicContact CG1-CB 4.26Å
444	F	95.6	Very high	88.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-67.4	137.8	174.7	-61.2	-63.6	0	0	0	110.9	F432 T447 F449 A478 G479 G481 T482 V485 L500 L510 I512	F432-F444 HydrophobicContact CB-CE2 3.92Å; F432-F444 HydrophobicContact CB-CZ 3.86Å; F432-F444 HydrophobicContact CD1-CZ 4.41Å; F444-T447 HydrophobicContact CD1-CG2 4.11Å; F444-F449 HydrophobicContact CD1-CZ 4.43Å; F444-F449 HydrophobicContact CD2-CZ 4.39Å; F444-F449 HydrophobicContact CE1-CZ 4.15Å; F444-F449 HydrophobicContact CE2-CZ 4.08Å; F444-F449 AromaticContact CZ-CZ 3.99Å; F444-F449 HydrophobicContact CZ-CZ 3.99Å; F444-A478 HydrophobicContact CB-CB 3.67Å; F444-A478 HydrophobicContact CG-CB 4.33Å; F444-G479 VanDerWaalsContact O-O 3.11Å; F444-G481 PolarHBondContact O-N 2.92Å; F444-T482 WeakPolarHBondContact CB-O 3.46Å; F444-T482 WeakPolarHBondContact CD2-O 3.5Å; F444-T482 PolarHBondContact N-O 3.35Å; F444-T482 VanDerWaalsContact N-O 3.07Å; F444-T482 PolarHBondContact O-N 2.97Å; F444-V485 HydrophobicContact CD2-CG2 4.32Å; F444-L500 HydrophobicContact CE1-CD2 4.14Å; F444-L510 HydrophobicContact CD1-CD1 3.61Å; F444-L510 HydrophobicContact CE1-CD1 3.8Å; F444-L510 HydrophobicContact CE1-CD2 4.45Å; F444-L510 HydrophobicContact CG-CD1 4.41Å; F444-I512 HydrophobicContact CE1-CD1 4.23Å; F444-I512 HydrophobicContact CE1-CG1 4.13Å; F444-I512 HydrophobicContact CZ-CD1 4.32Å; F444-I512 HydrophobicContact CZ-CG1 4.05Å
445	N	92.2	Very high	88.1	Confident	30 Å²	30	45.6 Å²	45.6	16%	0.16	24%	0.24	C	C	.	.	S	Bend	trans	-137.2	105.3	177.3	-67.9	-70.2	0	0	0	109.5	V443 T447 N480 G481	V443-N445 PolarHBondContact O-ND2 3.03Å; N445-T447 PolarHBondContact O-N 3.16Å; N445-N480 WeakPolarHBondContact OD1-CA 3.27Å; N445-G481 PolarHBondContact OD1-N 3.23Å
446	G	92.6	Very high	87	Confident	17 Å²	17	49.6 Å²	49.6	18%	0.175	27%	0.273	C	S	.	.	S	Bend	trans	65.4	23	-178.3	0	0	0	0	0	114.2	A478 P503	G446-A478 CarbonylContact C-O 3.39Å; G446-A478 WeakPolarHBondContact CA-O 3.31Å; G446-A478 PolarHBondContact N-O 3Å; G446-P503 WeakPolarHBondContact O-CD 3.28Å; G446-P503 VanDerWaalsContact O-CG 3.23Å; G446-P503 WeakPolarHBondContact O-CG 3.44Å
447	T	96	Very high	86.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	130.6	-175.9	-50.5	0	0	0	0	111	F444 N445 F449 A478 L500 F502	F444-T447 HydrophobicContact CD1-CG2 4.11Å; N445-T447 PolarHBondContact O-N 3.16Å; T447-F449 HydrophobicContact CG2-CD2 4.48Å; T447-F449 HydrophobicContact CG2-CE2 3.94Å; T447-F449 HydrophobicContact CG2-CZ 4.4Å; T447-A478 PolarHBondContact N-O 3.37Å; T447-A478 VanDerWaalsContact N-O 3.12Å; T447-A478 PolarHBondContact O-N 3.18Å; T447-L500 HydrophobicContact CG2-CB 4.14Å; T447-L500 HydrophobicContact CG2-CD2 4.41Å; T447-L500 HydrophobicContact CG2-CG 4.34Å; T447-F502 HydrophobicContact CG2-CD1 4.06Å; T447-F502 HydrophobicContact CG2-CE1 3.59Å; T447-F502 HydrophobicContact CG2-CE2 4.33Å; T447-F502 HydrophobicContact CG2-CZ 3.74Å; T447-F502 VanDerWaalsContact OG1-CE1 3.31Å; T447-F502 WeakPolarHBondContact OG1-CE1 3.36Å
448	I	96.6	Very high	86.2	Confident	45 Å²	45	51.5 Å²	51.5	23%	0.231	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129	-179.4	-57	169.4	0	0	0	108.8	E450 V474 V477 L500 S501 P503	I448-E450 HydrophobicContact CG2-CG 3.72Å; I448-V474 HydrophobicContact CG2-CB 4.41Å; I448-V474 HydrophobicContact CG2-CG1 3.74Å; I448-V474 HydrophobicContact CG2-CG2 3.89Å; I448-V477 HydrophobicContact CG1-CG1 4.48Å; I448-L500 CarbonylContact O-C 3.59Å; I448-L500 WeakPolarHBondContact O-CA 3.32Å; I448-S501 PolarHBondContact N-O 3.08Å; I448-S501 PolarHBondContact O-N 3.24Å; I448-P503 HydrophobicContact CD1-CG 4.01Å; I448-P503 HydrophobicContact CG1-CG 4.41Å
449	F	97.2	Very high	86.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.3	177.5	-68.4	-107	0	0	0	109.3	F430 F432 F444 T447 V475 A476 A478 V485 L500	F430-F449 HydrophobicContact CE2-CB 4.42Å; F430-F449 AromaticContact CE2-CD1 3.76Å; F430-F449 HydrophobicContact CE2-CD1 3.76Å; F430-F449 HydrophobicContact CE2-CE1 4.46Å; F430-F449 HydrophobicContact CE2-CG 4.37Å; F430-F449 HydrophobicContact CZ-CB 4.19Å; F430-F449 HydrophobicContact CZ-CD1 4.27Å; F432-F449 HydrophobicContact CB-CE1 3.91Å; F432-F449 HydrophobicContact CB-CZ 4.21Å; F432-F449 HydrophobicContact CD1-CE1 4.25Å; F432-F449 HydrophobicContact CD2-CD1 4.29Å; F432-F449 AromaticContact CD2-CE1 3.71Å; F432-F449 HydrophobicContact CD2-CE1 3.71Å; F432-F449 HydrophobicContact CE2-CE1 4.3Å; F432-F449 AromaticContact CG-CE1 3.69Å; F432-F449 HydrophobicContact CG-CE1 3.69Å; F432-F449 HydrophobicContact CG-CZ 4.41Å; F444-F449 HydrophobicContact CD1-CZ 4.43Å; F444-F449 HydrophobicContact CD2-CZ 4.39Å; F444-F449 HydrophobicContact CE1-CZ 4.15Å; F444-F449 HydrophobicContact CE2-CZ 4.08Å; F444-F449 AromaticContact CZ-CZ 3.99Å; F444-F449 HydrophobicContact CZ-CZ 3.99Å; T447-F449 HydrophobicContact CG2-CD2 4.48Å; T447-F449 HydrophobicContact CG2-CE2 3.94Å; T447-F449 HydrophobicContact CG2-CZ 4.4Å; F449-V475 HydrophobicContact CB-CG2 4.24Å; F449-V475 VanDerWaalsContact O-CG2 3.3Å; F449-V475 WeakPolarHBondContact O-CG2 3.4Å; F449-V475 PolarHBondContact O-N 2.82Å; F449-A476 HydrophobicContact CB-CB 4.11Å; F449-A476 HydrophobicContact CD2-CB 4.49Å; F449-A476 HydrophobicContact CG-CB 4.49Å; F449-A476 PolarHBondContact N-O 3.12Å; F449-A476 PolarHBondContact O-N 3.33Å; F449-A478 HydrophobicContact CE2-CB 4.01Å; F449-V485 HydrophobicContact CD1-CG1 4.39Å; F449-V485 HydrophobicContact CD2-CG1 4.16Å; F449-V485 HydrophobicContact CD2-CG2 4.38Å; F449-V485 HydrophobicContact CE1-CB 4.37Å; F449-V485 HydrophobicContact CE1-CG1 4.34Å; F449-V485 HydrophobicContact CE2-CB 4.17Å; F449-V485 HydrophobicContact CE2-CG1 4.15Å; F449-V485 HydrophobicContact CE2-CG2 3.67Å; F449-V485 HydrophobicContact CG-CG1 4.3Å; F449-V485 HydrophobicContact CZ-CB 4Å; F449-V485 HydrophobicContact CZ-CG1 4.23Å; F449-V485 HydrophobicContact CZ-CG2 3.83Å; F449-L500 HydrophobicContact CD1-CD1 3.64Å; F449-L500 HydrophobicContact CD1-CD2 4.24Å; F449-L500 HydrophobicContact CD1-CG 3.68Å; F449-L500 HydrophobicContact CE1-CD1 3.76Å; F449-L500 HydrophobicContact CE1-CD2 3.56Å; F449-L500 HydrophobicContact CE1-CG 3.53Å; F449-L500 HydrophobicContact CG-CG 4.28Å; F449-L500 HydrophobicContact CZ-CD2 3.81Å; F449-L500 HydrophobicContact CZ-CG 3.99Å
450	E	95.7	Very high	86	Confident	4 Å²	4	49 Å²	49	2%	0.019	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.8	-169.9	-51.2	170.7	83.5	0	0	111.1	I448 S466 Y472 Y473 V474 L498 R499 S501	I448-E450 HydrophobicContact CG2-CG 3.72Å; E450-S466 WeakPolarHBondContact OE1-CB 3.47Å; E450-S466 PolarHBondContact OE1-OG 3.21Å; E450-Y472 HydrophobicContact CB-CD1 3.86Å; E450-Y472 HydrophobicContact CB-CG 4.43Å; E450-Y473 CarbonylContact C-O 3.52Å; E450-Y473 WeakPolarHBondContact CA-O 3.44Å; E450-V474 HydrophobicContact CG-CG2 4.22Å; E450-L498 CarbonylContact O-C 3.57Å; E450-L498 WeakPolarHBondContact O-CA 3.31Å; E450-L498 WeakPolarHBondContact O-CD1 3.3Å; E450-R499 HydrophobicContact CB-CB 4.45Å; E450-R499 PolarHBondContact N-O 3.4Å; E450-R499 PolarHBondContact O-N 2.87Å; E450-R499 IonicContact OE1-CZ 3.45Å; E450-R499 IonicContact OE1-NE 3.33Å; E450-R499 IonicContact OE1-NH2 2.8Å; E450-R499 PolarHBondContact OE1-NH2 2.86Å; E450-R499 IonicContact OE2-CZ 2.72Å; E450-R499 IonicContact OE2-NE 2.94Å; E450-R499 PolarHBondContact OE2-NE 2.85Å; E450-R499 IonicContact OE2-NH2 3.54Å; E450-R499 PolarHBondContact OE2-NH2 3.09Å; E450-S501 WeakPolarHBondContact OE2-CB 3.01Å; E450-S501 PolarHBondContact OE2-OG 3.28Å
451	I	95.2	Very high	85.5	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	149.6	173.5	63.6	175.1	0	0	0	111.2	L427 F430 L460 Y472 Y473 V475 F489 V493 T495 S497 L498	L427-I451 HydrophobicContact CD2-CG2 4.1Å; F430-I451 HydrophobicContact CE1-CG2 4.3Å; I451-L460 HydrophobicContact CD1-CD1 3.85Å; I451-L460 HydrophobicContact CG1-CD1 4.11Å; I451-Y472 CarbonylContact O-C 3.57Å; I451-Y472 WeakPolarHBondContact O-CA 3.33Å; I451-Y473 PolarHBondContact N-O 3.23Å; I451-Y473 PolarHBondContact O-N 3.04Å; I451-V475 HydrophobicContact CD1-CG1 3.79Å; I451-V475 HydrophobicContact CG1-CG1 3.68Å; I451-V475 HydrophobicContact CG2-CG2 4.17Å; I451-F489 HydrophobicContact CD1-CE1 4.01Å; I451-F489 HydrophobicContact CD1-CZ 3.8Å; I451-V493 HydrophobicContact CD1-CB 4.5Å; I451-V493 HydrophobicContact CD1-CG1 3.95Å; I451-T495 HydrophobicContact CB-CG2 4.06Å; I451-T495 HydrophobicContact CG2-CG2 4.35Å; I451-S497 WeakPolarHBondContact CA-O 3.26Å; I451-L498 HydrophobicContact CG2-CD1 3.61Å
452	Q	93.6	Very high	85.2	Confident	59 Å²	59	50.2 Å²	50.2	28%	0.276	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.6	169.4	-164.8	-179.2	42.8	0	0	109.4	D470 Y472 T495 S496 S497	Q452-D470 PolarHBondContact NE2-O 3.03Å; Q452-D470 VanDerWaalsContact NE2-O 3.14Å; Q452-Y472 HydrophobicContact CB-CD1 4.02Å; Q452-Y472 HydrophobicContact CB-CD2 4.31Å; Q452-Y472 HydrophobicContact CB-CE1 3.86Å; Q452-Y472 HydrophobicContact CB-CE2 4.17Å; Q452-Y472 HydrophobicContact CB-CG 4.25Å; Q452-Y472 HydrophobicContact CG-CD2 4.44Å; Q452-Y472 HydrophobicContact CG-CE2 4.36Å; Q452-T495 CarbonylContact O-C 3.57Å; Q452-T495 WeakPolarHBondContact O-CA 3.35Å; Q452-S496 PolarHBondContact O-N 3.13Å; Q452-S496 PolarHBondContact O-OG 2.97Å; Q452-S496 PolarHBondContact OE1-OG 2.7Å; Q452-S497 WeakPolarHBondContact CB-OG 3.48Å; Q452-S497 PolarHBondContact N-O 3.08Å; Q452-S497 PolarHBondContact O-N 2.01Å; Q452-S497 PolarHBondContact OE1-OG 3.49Å
453	P	92.1	Very high	84.9	Confident	17 Å²	17	52.4 Å²	52.4	11%	0.11	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	143.9	174.2	-20.9	33.2	0	0	0	112.4	K455 L460 Y473 P494	P453-K455 VanDerWaalsContact C-N 3.34Å; P453-L460 HydrophobicContact CG-CD1 3.69Å; P453-L460 HydrophobicContact CG-CG 4.38Å; P453-Y473 HydrophobicContact CG-CD2 4.08Å; P453-Y473 HydrophobicContact CG-CE2 4.14Å; P453-P494 CarbonylContact C-O 3.39Å; P453-P494 VanDerWaalsContact CA-O 3.23Å; P453-P494 WeakPolarHBondContact CA-O 3.34Å
454	S	88.5	Confident	84.5	Confident	51 Å²	51	56.1 Å²	56.1	36%	0.357	33%	0.331	S	S	.	.	S	Bend	trans	-76	-21.6	178.3	66	0	0	0	0	113.9	P494	S454-P494 PolarHBondContact N-O 2.89Å; S454-P494 VanDerWaalsContact OG-CB 3.29Å; S454-P494 WeakPolarHBondContact OG-CB 3.38Å; S454-P494 PolarHBondContact OG-O 3.39Å
455	K	80.1	Confident	83.9	Confident	139 Å²	139	61.9 Å²	61.9	60%	0.604	36%	0.358	S	S	*	.	S	Bend	trans	-102.4	119.5	174.5	-64.6	-176.9	-178.9	-179.6	0	109	P453 H457 Y458	P453-K455 VanDerWaalsContact C-N 3.34Å; K455-H457 PolarHBondContact O-N 3.44Å; K455-Y458 PolarHBondContact O-N 3.41Å; K455-Y458 VanDerWaalsContact O-N 3.08Å
456	A	64	Low	83.5	Confident	91 Å²	91	60.9 Å²	60.9	75%	0.752	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	129.2	170.7	0	0	0	0	0	108.9
457	H	62.2	Low	82.7	Confident	180 Å²	180	66 Å²	66	83%	0.833	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	19.3	-176.2	-47.8	69.2	0	0	0	116.4	K455 P459	K455-H457 PolarHBondContact O-N 3.44Å; H457-P459 WeakPolarHBondContact O-CD 3.19Å; H457-P459 VanDerWaalsContact O-N 3.09Å
458	Y	69.1	Low	81.8	Confident	68 Å²	68	68.2 Å²	68.2	27%	0.267	40%	0.402	S	S	.	.			trans	-62.2	113.2	166.1	-165.3	-91.6	0	0	0	109	K455 L460 V492 V493 P494	K455-Y458 PolarHBondContact O-N 3.41Å; K455-Y458 VanDerWaalsContact O-N 3.08Å; Y458-L460 HydrophobicContact CD1-CD2 4.15Å; Y458-L460 HydrophobicContact CD1-CG 4.21Å; Y458-L460 HydrophobicContact CE1-CD2 4.2Å; Y458-L460 PolarHBondContact O-N 3.26Å; Y458-V492 PolarHBondContact OH-O 2.99Å; Y458-V493 HydrophobicContact CD1-CG1 4.27Å; Y458-V493 HydrophobicContact CE1-CG1 4.13Å; Y458-P494 HydrophobicContact CD2-CG 4.28Å; Y458-P494 HydrophobicContact CE2-CG 3.94Å
459	P	65.7	Low	80.7	Confident	102 Å²	102	73 Å²	73	66%	0.662	43%	0.428	S	S	*	.			trans	-73.8	102.9	-170.4	28.1	-31.2	0	0	0	109.8	H457 S461	H457-P459 WeakPolarHBondContact O-CD 3.19Å; H457-P459 VanDerWaalsContact O-N 3.09Å; P459-S461 VanDerWaalsContact C-N 3.28Å; P459-S461 PolarHBondContact O-N 3.02Å
460	L	76.5	Confident	80.1	Confident	13 Å²	13	75.6 Å²	75.6	7%	0.068	44%	0.442	C	S	.	.			trans	-94.6	56	168.1	-75	-178.7	0	0	0	109.5	I451 P453 Y458 A462 Y463 Y473 V493	I451-L460 HydrophobicContact CD1-CD1 3.85Å; I451-L460 HydrophobicContact CG1-CD1 4.11Å; P453-L460 HydrophobicContact CG-CD1 3.69Å; P453-L460 HydrophobicContact CG-CG 4.38Å; Y458-L460 HydrophobicContact CD1-CD2 4.15Å; Y458-L460 HydrophobicContact CD1-CG 4.21Å; Y458-L460 HydrophobicContact CE1-CD2 4.2Å; Y458-L460 PolarHBondContact O-N 3.26Å; L460-A462 PolarHBondContact O-N 3.41Å; L460-Y463 HydrophobicContact CB-CD2 4.04Å; L460-Y463 HydrophobicContact CD2-CD2 4.08Å; L460-Y463 HydrophobicContact CD2-CE2 4.3Å; L460-Y463 HydrophobicContact CG-CD2 4.46Å; L460-Y463 PolarHBondContact O-N 2.94Å; L460-Y473 HydrophobicContact CB-CD1 3.86Å; L460-Y473 HydrophobicContact CB-CE1 4.1Å; L460-Y473 HydrophobicContact CB-CG 4.1Å; L460-Y473 HydrophobicContact CD1-CD1 4.47Å; L460-Y473 HydrophobicContact CD1-CD2 3.94Å; L460-Y473 HydrophobicContact CD1-CG 3.87Å; L460-V493 HydrophobicContact CD1-CG1 4.31Å; L460-V493 HydrophobicContact CD2-CG1 3.96Å; L460-V493 HydrophobicContact CD2-CG2 3.99Å
461	S	71.3	Confident	79.7	Confident	122 Å²	122	77.4 Å²	77.4	85%	0.853	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.9	-173.6	54.6	0	0	0	0	114.2	P459 Y463	P459-S461 VanDerWaalsContact C-N 3.28Å; P459-S461 PolarHBondContact O-N 3.02Å; S461-Y463 VanDerWaalsContact C-N 3.27Å; S461-Y463 PolarHBondContact O-N 3.26Å
462	A	80.8	Confident	79.5	Confident	86 Å²	86	78.2 Å²	78.2	71%	0.711	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.1	174.5	0	0	0	0	0	114	L460	L460-A462 PolarHBondContact O-N 3.41Å
463	Y	85.4	Confident	79.5	Confident	64 Å²	64	77.2 Å²	77.2	25%	0.251	46%	0.458	S	S	.	.	S	Bend	trans	-126.1	141.9	-170.9	-59.1	-71.3	0	0	0	111.7	L460 S461 V474 V475 F489	L460-Y463 HydrophobicContact CB-CD2 4.04Å; L460-Y463 HydrophobicContact CD2-CD2 4.08Å; L460-Y463 HydrophobicContact CD2-CE2 4.3Å; L460-Y463 HydrophobicContact CG-CD2 4.46Å; L460-Y463 PolarHBondContact O-N 2.94Å; S461-Y463 VanDerWaalsContact C-N 3.27Å; S461-Y463 PolarHBondContact O-N 3.26Å; Y463-V474 WeakPolarHBondContact CB-O 3.43Å; Y463-V474 WeakPolarHBondContact CD1-O 3.08Å; Y463-V475 HydrophobicContact CD1-CB 4.18Å; Y463-V475 HydrophobicContact CD1-CG1 3.87Å; Y463-V475 HydrophobicContact CD2-CG1 4.32Å; Y463-V475 HydrophobicContact CE1-CB 4.05Å; Y463-V475 HydrophobicContact CE1-CG1 3.96Å; Y463-V475 HydrophobicContact CE2-CG1 4.4Å; Y463-V475 HydrophobicContact CG-CG1 4.04Å; Y463-F489 HydrophobicContact CE2-CD1 4.12Å; Y463-F489 HydrophobicContact CE2-CE1 4.01Å; Y463-F489 AromaticContact CZ-CE1 3.85Å; Y463-F489 WeakPolarHBondContact OH-CD1 3.33Å
464	S	84.1	Confident	79.6	Confident	90 Å²	90	78.1 Å²	78.1	63%	0.629	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	141.3	177.4	-54	0	0	0	0	111	Y473 V474	S464-Y473 WeakPolarHBondContact O-CA 3.32Å; S464-V474 PolarHBondContact O-N 3.26Å
465	Q	84.1	Confident	79.9	Confident	121 Å²	121	76.4 Å²	76.4	57%	0.565	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	143.8	169.4	-75.3	-176.2	-0.6	0	0	110.4	Y473	Q465-Y473 HydrophobicContact CG-CD1 4.05Å; Q465-Y473 HydrophobicContact CG-CE1 3.53Å; Q465-Y473 PolarHBondContact NE2-OH 3.25Å
466	S	82.3	Confident	80.6	Confident	10 Å²	10	70.9 Å²	70.9	7%	0.07	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-65.3	146.2	174.8	-171.6	0	0	0	0	111.5	E450 S468 L469 Y472	E450-S466 WeakPolarHBondContact OE1-CB 3.47Å; E450-S466 PolarHBondContact OE1-OG 3.21Å; S466-S468 PolarHBondContact O-N 2.96Å; S466-S468 VanDerWaalsContact O-N 3.14Å; S466-S468 PolarHBondContact OG-OG 3.49Å; S466-S468 VanDerWaalsContact OG-OG 3.13Å; S466-L469 PolarHBondContact O-N 2.83Å; S466-Y472 WeakPolarHBondContact CB-O 3.42Å; S466-Y472 PolarHBondContact N-O 3.46Å
467	S	77.3	Confident	82.1	Confident	123 Å²	123	71.1 Å²	71.1	86%	0.86	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.9	178.3	56	0	0	0	0	113.6	L469	S467-L469 VanDerWaalsContact C-N 3.25Å; S467-L469 PolarHBondContact O-N 3.35Å
468	S	76.1	Confident	83.6	Confident	47 Å²	47	62.7 Å²	62.7	33%	0.329	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-8.4	177.3	42.7	0	0	0	0	114.6	S466 D470 R499	S466-S468 PolarHBondContact O-N 2.96Å; S466-S468 VanDerWaalsContact O-N 3.14Å; S466-S468 PolarHBondContact OG-OG 3.49Å; S466-S468 VanDerWaalsContact OG-OG 3.13Å; S468-D470 WeakPolarHBondContact CB-OD1 3.47Å; S468-D470 PolarHBondContact O-N 3.25Å; S468-D470 PolarHBondContact OG-OD1 3.43Å; S468-D470 PolarHBondContact OG-OD2 3.14Å; S468-R499 PolarHBondContact OG-NH2 3.14Å
469	L	74.3	Confident	84.7	Confident	146 Å²	146	61.3 Å²	61.3	76%	0.764	39%	0.391	S	S	*	.			trans	53	26.3	-179.4	-63.9	169.6	0	0	0	114.1	S466 S467	S466-L469 PolarHBondContact O-N 2.83Å; S467-L469 VanDerWaalsContact C-N 3.25Å; S467-L469 PolarHBondContact O-N 3.35Å
470	D	83.6	Confident	85.9	Confident	55 Å²	55	62.9 Å²	62.9	29%	0.294	39%	0.394	S	S	.	.	S	Bend	trans	-99.4	17.9	-176.8	58.8	-9.2	0	0	0	113.2	Q452 S468 Y472 R499	Q452-D470 PolarHBondContact NE2-O 3.03Å; Q452-D470 VanDerWaalsContact NE2-O 3.14Å; S468-D470 WeakPolarHBondContact CB-OD1 3.47Å; S468-D470 PolarHBondContact O-N 3.25Å; S468-D470 PolarHBondContact OG-OD1 3.43Å; S468-D470 PolarHBondContact OG-OD2 3.14Å; D470-Y472 HydrophobicContact CB-CD2 4.43Å; D470-Y472 WeakPolarHBondContact OD1-CD2 3.49Å; D470-R499 IonicContact OD1-NH1 3.3Å; D470-R499 IonicContact OD1-NH2 3.43Å; D470-R499 PolarHBondContact OD1-NH2 3.06Å; D470-R499 IonicContact OD2-CZ 3.3Å; D470-R499 IonicContact OD2-NH1 2.87Å; D470-R499 PolarHBondContact OD2-NH1 3.33Å; D470-R499 IonicContact OD2-NH2 3.76Å; D470-R499 PolarHBondContact OD2-NH2 2.88Å
471	G	87.2	Confident	86.5	Confident	41 Å²	41	64.5 Å²	64.5	42%	0.423	41%	0.413	S	S	.	.	S	Bend	trans	83.6	6.5	176.6	0	0	0	0	0	115.3
472	Y	91.7	Very high	87.6	Confident	18 Å²	18	60.3 Å²	60.3	7%	0.071	38%	0.382	C	S	.	.			trans	-83.1	148.7	174	-77.5	-100.3	0	0	0	112.1	E450 I451 Q452 S466 D470 S497 R499	E450-Y472 HydrophobicContact CB-CD1 3.86Å; E450-Y472 HydrophobicContact CB-CG 4.43Å; I451-Y472 CarbonylContact O-C 3.57Å; I451-Y472 WeakPolarHBondContact O-CA 3.33Å; Q452-Y472 HydrophobicContact CB-CD1 4.02Å; Q452-Y472 HydrophobicContact CB-CD2 4.31Å; Q452-Y472 HydrophobicContact CB-CE1 3.86Å; Q452-Y472 HydrophobicContact CB-CE2 4.17Å; Q452-Y472 HydrophobicContact CB-CG 4.25Å; Q452-Y472 HydrophobicContact CG-CD2 4.44Å; Q452-Y472 HydrophobicContact CG-CE2 4.36Å; S466-Y472 WeakPolarHBondContact CB-O 3.42Å; S466-Y472 PolarHBondContact N-O 3.46Å; D470-Y472 HydrophobicContact CB-CD2 4.43Å; D470-Y472 WeakPolarHBondContact OD1-CD2 3.49Å; Y472-S497 VanDerWaalsContact CE1-OG 3.28Å; Y472-S497 WeakPolarHBondContact CE1-OG 3.39Å; Y472-S497 PolarHBondContact OH-OG 2.94Å; Y472-R499 HydrophobicContact CD1-CB 4.05Å; Y472-R499 HydrophobicContact CE1-CB 3.59Å
473	Y	92.7	Very high	88.2	Confident	37 Å²	37	61.2 Å²	61.2	15%	0.145	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.8	174.6	-70.2	-99.3	0	0	0	110	E450 I451 P453 L460 S464 Q465 V475	E450-Y473 CarbonylContact C-O 3.52Å; E450-Y473 WeakPolarHBondContact CA-O 3.44Å; I451-Y473 PolarHBondContact N-O 3.23Å; I451-Y473 PolarHBondContact O-N 3.04Å; P453-Y473 HydrophobicContact CG-CD2 4.08Å; P453-Y473 HydrophobicContact CG-CE2 4.14Å; L460-Y473 HydrophobicContact CB-CD1 3.86Å; L460-Y473 HydrophobicContact CB-CE1 4.1Å; L460-Y473 HydrophobicContact CB-CG 4.1Å; L460-Y473 HydrophobicContact CD1-CD1 4.47Å; L460-Y473 HydrophobicContact CD1-CD2 3.94Å; L460-Y473 HydrophobicContact CD1-CG 3.87Å; S464-Y473 WeakPolarHBondContact O-CA 3.32Å; Q465-Y473 HydrophobicContact CG-CD1 4.05Å; Q465-Y473 HydrophobicContact CG-CE1 3.53Å; Q465-Y473 PolarHBondContact NE2-OH 3.25Å; Y473-V475 PolarHBondContact O-N 2.9Å
474	V	93.9	Very high	88.6	Confident	36 Å²	36	63.4 Å²	63.4	22%	0.218	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	117.6	177.9	179.1	0	0	0	0	109.3	I448 E450 Y463 S464 V477	I448-V474 HydrophobicContact CG2-CB 4.41Å; I448-V474 HydrophobicContact CG2-CG1 3.74Å; I448-V474 HydrophobicContact CG2-CG2 3.89Å; E450-V474 HydrophobicContact CG-CG2 4.22Å; Y463-V474 WeakPolarHBondContact CB-O 3.43Å; Y463-V474 WeakPolarHBondContact CD1-O 3.08Å; S464-V474 PolarHBondContact O-N 3.26Å; V474-V477 HydrophobicContact CG1-CG2 3.84Å
475	V	94.6	Very high	89.3	Confident	16 Å²	16	59.8 Å²	59.8	10%	0.097	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-20.8	-177.4	-67.7	0	0	0	0	113.6	F430 F449 I451 Y463 Y473 F489	F430-V475 HydrophobicContact CE1-CG2 3.94Å; F430-V475 HydrophobicContact CZ-CG2 3.67Å; F449-V475 HydrophobicContact CB-CG2 4.24Å; F449-V475 VanDerWaalsContact O-CG2 3.3Å; F449-V475 WeakPolarHBondContact O-CG2 3.4Å; F449-V475 PolarHBondContact O-N 2.82Å; I451-V475 HydrophobicContact CD1-CG1 3.79Å; I451-V475 HydrophobicContact CG1-CG1 3.68Å; I451-V475 HydrophobicContact CG2-CG2 4.17Å; Y463-V475 HydrophobicContact CD1-CB 4.18Å; Y463-V475 HydrophobicContact CD1-CG1 3.87Å; Y463-V475 HydrophobicContact CD2-CG1 4.32Å; Y463-V475 HydrophobicContact CE1-CB 4.05Å; Y463-V475 HydrophobicContact CE1-CG1 3.96Å; Y463-V475 HydrophobicContact CE2-CG1 4.4Å; Y463-V475 HydrophobicContact CG-CG1 4.04Å; Y473-V475 PolarHBondContact O-N 2.9Å; V475-F489 HydrophobicContact CB-CE1 4.39Å; V475-F489 HydrophobicContact CB-CZ 4.41Å; V475-F489 HydrophobicContact CG1-CE1 3.9Å; V475-F489 HydrophobicContact CG1-CZ 4.1Å
476	A	95.2	Very high	89.8	Confident	22 Å²	22	58.2 Å²	58.2	18%	0.182	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	154.4	170.6	0	0	0	0	0	111.1	F449 V485 V487	F449-A476 HydrophobicContact CB-CB 4.11Å; F449-A476 HydrophobicContact CD2-CB 4.49Å; F449-A476 HydrophobicContact CG-CB 4.49Å; F449-A476 PolarHBondContact N-O 3.12Å; F449-A476 PolarHBondContact O-N 3.33Å; A476-V485 HydrophobicContact CB-CG1 3.79Å; A476-V487 HydrophobicContact CB-CG2 3.73Å
477	V	95.5	Very high	90.5	Very high	97 Å²	97	58.4 Å²	58.4	59%	0.588	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	122	171.6	-177.5	0	0	0	0	108	I448 V474	I448-V477 HydrophobicContact CG1-CG1 4.48Å; V474-V477 HydrophobicContact CG1-CG2 3.84Å
478	A	94.5	Very high	91.2	Very high	2 Å²	2	56.2 Å²	56.2	2%	0.017	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113.7	174.2	0	0	0	0	0	109.3	F444 G446 T447 F449 T482 V485	F444-A478 HydrophobicContact CB-CB 3.67Å; F444-A478 HydrophobicContact CG-CB 4.33Å; G446-A478 CarbonylContact C-O 3.39Å; G446-A478 WeakPolarHBondContact CA-O 3.31Å; G446-A478 PolarHBondContact N-O 3Å; T447-A478 PolarHBondContact N-O 3.37Å; T447-A478 VanDerWaalsContact N-O 3.12Å; T447-A478 PolarHBondContact O-N 3.18Å; F449-A478 HydrophobicContact CE2-CB 4.01Å; A478-T482 HydrophobicContact CB-CG2 3.95Å; A478-V485 HydrophobicContact CB-CG2 3.88Å
479	G	91.9	Very high	91.9	Very high	40 Å²	40	54.9 Å²	54.9	41%	0.412	33%	0.326	S	S	.	.			trans	-65.8	178.2	172	0	0	0	0	0	112.3	F444 G481 T482	F444-G479 VanDerWaalsContact O-O 3.11Å; G479-G481 PolarHBondContact O-N 2.85Å; G479-T482 PolarHBondContact N-OG1 2.96Å; G479-T482 VanDerWaalsContact N-OG1 3.09Å; G479-T482 PolarHBondContact O-N 3.48Å; G479-T482 PolarHBondContact O-OG1 3.23Å
480	N	90.5	Very high	92.4	Very high	135 Å²	135	57.7 Å²	57.7	72%	0.722	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	132.3	175.7	-73	-2.5	0	0	0	111	N445	N445-N480 WeakPolarHBondContact OD1-CA 3.27Å
481	G	90.1	Very high	92.5	Very high	46 Å²	46	60.5 Å²	60.5	47%	0.474	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	13.6	178.8	0	0	0	0	0	115.3	F444 N445 G479 D483	F444-G481 PolarHBondContact O-N 2.92Å; N445-G481 PolarHBondContact OD1-N 3.23Å; G479-G481 PolarHBondContact O-N 2.85Å; G481-D483 PolarHBondContact O-N 2.75Å
482	T	94.4	Very high	92.6	Very high	34 Å²	34	60.5 Å²	60.5	21%	0.209	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-77.4	116.2	-174.5	-55.3	0	0	0	0	111.2	F444 A478 G479 R484 V485	F444-T482 WeakPolarHBondContact CB-O 3.46Å; F444-T482 WeakPolarHBondContact CD2-O 3.5Å; F444-T482 PolarHBondContact N-O 3.35Å; F444-T482 VanDerWaalsContact N-O 3.07Å; F444-T482 PolarHBondContact O-N 2.97Å; A478-T482 HydrophobicContact CB-CG2 3.95Å; G479-T482 PolarHBondContact N-OG1 2.96Å; G479-T482 VanDerWaalsContact N-OG1 3.09Å; G479-T482 PolarHBondContact O-N 3.48Å; G479-T482 PolarHBondContact O-OG1 3.23Å; T482-R484 WeakPolarHBondContact CG2-O 3.3Å; T482-V485 HydrophobicContact CG2-CG2 3.93Å
483	D	92.3	Very high	92.5	Very high	106 Å²	106	59.9 Å²	59.9	57%	0.567	34%	0.337	S	S	*	.			trans	-90	-15.1	179.2	69	-15.9	0	0	0	113.4	A433 S434 V443 G481	A433-D483 CarbonylContact C-O 3.58Å; A433-D483 VanDerWaalsContact CA-O 3.27Å; A433-D483 WeakPolarHBondContact CA-O 3.41Å; S434-D483 PolarHBondContact N-O 2.94Å; V443-D483 HydrophobicContact CG1-CB 4.26Å; G481-D483 PolarHBondContact O-N 2.75Å
484	R	95.3	Very high	92.5	Very high	110 Å²	110	58.9 Å²	58.9	42%	0.415	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	131.6	-178.8	-166.2	179.4	-174.3	80.2	3.4	112.8	T431 F432 T482 E514	T431-R484 VanDerWaalsContact CG2-NH2 3.28Å; F432-R484 CarbonylContact O-C 3.55Å; F432-R484 WeakPolarHBondContact O-CA 3.32Å; T482-R484 WeakPolarHBondContact CG2-O 3.3Å; R484-E514 IonicContact CZ-OE2 3.36Å; R484-E514 IonicContact NH1-OE2 2.71Å; R484-E514 PolarHBondContact NH1-OE2 3.41Å; R484-E514 IonicContact NH2-OE1 3.99Å; R484-E514 IonicContact NH2-OE2 3.14Å; R484-E514 PolarHBondContact NH2-OE2 3.39Å; R484-E514 VanDerWaalsContact NH2-OE2 3.14Å
485	V	96.9	Very high	92.5	Very high	13 Å²	13	57.1 Å²	57.1	8%	0.079	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	119.5	169.6	-180	0	0	0	0	108.3	F430 T431 F432 F444 F449 A476 A478 T482 V487	F430-V485 HydrophobicContact CE2-CG1 4.39Å; T431-V485 CarbonylContact C-O 3.46Å; T431-V485 WeakPolarHBondContact CA-O 3.48Å; F432-V485 PolarHBondContact N-O 3.28Å; F432-V485 PolarHBondContact O-N 2.86Å; F444-V485 HydrophobicContact CD2-CG2 4.32Å; F449-V485 HydrophobicContact CD1-CG1 4.39Å; F449-V485 HydrophobicContact CD2-CG1 4.16Å; F449-V485 HydrophobicContact CD2-CG2 4.38Å; F449-V485 HydrophobicContact CE1-CB 4.37Å; F449-V485 HydrophobicContact CE1-CG1 4.34Å; F449-V485 HydrophobicContact CE2-CB 4.17Å; F449-V485 HydrophobicContact CE2-CG1 4.15Å; F449-V485 HydrophobicContact CE2-CG2 3.67Å; F449-V485 HydrophobicContact CG-CG1 4.3Å; F449-V485 HydrophobicContact CZ-CB 4Å; F449-V485 HydrophobicContact CZ-CG1 4.23Å; F449-V485 HydrophobicContact CZ-CG2 3.83Å; A476-V485 HydrophobicContact CB-CG1 3.79Å; A478-V485 HydrophobicContact CB-CG2 3.88Å; T482-V485 HydrophobicContact CG2-CG2 3.93Å; V485-V487 HydrophobicContact CG1-CG2 4.22Å
486	N	96.2	Very high	92.5	Very high	89 Å²	89	57.7 Å²	57.7	48%	0.476	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	113.7	178.3	176.8	38.7	0	0	0	109.3	F430 T431 R518	F430-N486 PolarHBondContact O-OD1 3.42Å; T431-N486 PolarHBondContact OG1-OD1 2.71Å; N486-R518 PolarHBondContact OD1-NH1 2.6Å; N486-R518 PolarHBondContact OD1-NH2 3.11Å
487	V	95.3	Very high	92.6	Very high	14 Å²	14	56.7 Å²	56.7	9%	0.085	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.5	179.8	177.8	0	0	0	0	108.8	G429 F430 A476 V485 F489 R518	G429-V487 CarbonylContact C-O 3.58Å; G429-V487 WeakPolarHBondContact CA-O 3.24Å; F430-V487 HydrophobicContact CD1-CB 4.36Å; F430-V487 HydrophobicContact CD2-CB 4.25Å; F430-V487 HydrophobicContact CD2-CG2 4.37Å; F430-V487 HydrophobicContact CE1-CB 3.97Å; F430-V487 HydrophobicContact CE1-CG1 4.21Å; F430-V487 HydrophobicContact CE1-CG2 4.29Å; F430-V487 HydrophobicContact CE2-CB 3.86Å; F430-V487 HydrophobicContact CE2-CG2 3.58Å; F430-V487 HydrophobicContact CZ-CB 3.71Å; F430-V487 HydrophobicContact CZ-CG1 4.25Å; F430-V487 HydrophobicContact CZ-CG2 3.54Å; F430-V487 PolarHBondContact N-O 3.31Å; F430-V487 PolarHBondContact O-N 3.46Å; A476-V487 HydrophobicContact CB-CG2 3.73Å; V485-V487 HydrophobicContact CG1-CG2 4.22Å; V487-F489 HydrophobicContact CG1-CD1 4.47Å; V487-F489 HydrophobicContact CG1-CE1 3.9Å; V487-F489 HydrophobicContact CG1-CE2 4.03Å; V487-F489 HydrophobicContact CG1-CZ 3.64Å; V487-R518 PolarHBondContact O-NH2 3.18Å
488	S	93.1	Very high	92.6	Very high	76 Å²	76	52.1 Å²	52.1	53%	0.531	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.5	173.4	-71.2	0	0	0	0	108.6	R518	S488-R518 PolarHBondContact OG-NH2 3.23Å; S488-R518 VanDerWaalsContact OG-NH2 3.15Å
489	F	90	Very high	92.7	Very high	20 Å²	20	52.3 Å²	52.3	9%	0.088	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	139.6	177	-58.1	-76.3	0	0	0	109.6	L427 S428 F430 I451 Y463 V475 V487 D491 V493	L427-F489 HydrophobicContact CD2-CD2 4.43Å; L427-F489 HydrophobicContact CD2-CE2 3.59Å; L427-F489 HydrophobicContact CD2-CZ 4.25Å; L427-F489 HydrophobicContact CG-CD2 4.27Å; L427-F489 HydrophobicContact CG-CE2 3.85Å; S428-F489 PolarHBondContact O-N 3.09Å; F430-F489 HydrophobicContact CD1-CE2 4.44Å; F430-F489 HydrophobicContact CE1-CE2 4.37Å; F430-F489 HydrophobicContact CE1-CZ 4.24Å; I451-F489 HydrophobicContact CD1-CE1 4.01Å; I451-F489 HydrophobicContact CD1-CZ 3.8Å; Y463-F489 HydrophobicContact CE2-CD1 4.12Å; Y463-F489 HydrophobicContact CE2-CE1 4.01Å; Y463-F489 AromaticContact CZ-CE1 3.85Å; Y463-F489 WeakPolarHBondContact OH-CD1 3.33Å; V475-F489 HydrophobicContact CB-CE1 4.39Å; V475-F489 HydrophobicContact CB-CZ 4.41Å; V475-F489 HydrophobicContact CG1-CE1 3.9Å; V475-F489 HydrophobicContact CG1-CZ 4.1Å; V487-F489 HydrophobicContact CG1-CD1 4.47Å; V487-F489 HydrophobicContact CG1-CE1 3.9Å; V487-F489 HydrophobicContact CG1-CE2 4.03Å; V487-F489 HydrophobicContact CG1-CZ 3.64Å; F489-D491 VanDerWaalsContact C-N 3.32Å; F489-D491 WeakPolarHBondContact CB-O 3.17Å; F489-V493 HydrophobicContact CB-CG2 4.1Å; F489-V493 HydrophobicContact CD1-CG2 3.82Å; F489-V493 HydrophobicContact CD2-CG2 4.31Å; F489-V493 HydrophobicContact CE1-CG2 4.36Å; F489-V493 HydrophobicContact CG-CG2 3.81Å
490	K	86	Confident	93	Very high	205 Å²	205	50.4 Å²	50.4	89%	0.891	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	-43.7	176.9	-175	-177.7	178.1	-174.6	0	111.2
491	D	85.7	Confident	93.2	Very high	114 Å²	114	44.7 Å²	44.7	61%	0.61	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.5	174.1	-59.3	-61.5	0	0	0	108.7	F489 V493	F489-D491 VanDerWaalsContact C-N 3.32Å; F489-D491 WeakPolarHBondContact CB-O 3.17Å; D491-V493 PolarHBondContact O-N 3.26Å
492	V	88.4	Confident	93.5	Very high	41 Å²	41	42.7 Å²	42.7	25%	0.248	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	135.5	178.9	-69.8	0	0	0	0	111.6	N426 L427 Y458 Q520	N426-V492 HydrophobicContact CB-CB 4.17Å; N426-V492 HydrophobicContact CB-CG2 4.29Å; L427-V492 WeakPolarHBondContact O-CA 3.41Å; Y458-V492 PolarHBondContact OH-O 2.99Å; V492-Q520 HydrophobicContact CG1-CB 3.78Å; V492-Q520 VanDerWaalsContact CG1-OE1 3.26Å
493	V	91	Very high	93.5	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.03	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117	-178.2	-175.1	0	0	0	0	109.8	L427 I451 Y458 L460 F489 D491 T495	L427-V493 WeakPolarHBondContact CB-O 3.44Å; L427-V493 PolarHBondContact N-O 2.98Å; L427-V493 PolarHBondContact O-N 2.98Å; I451-V493 HydrophobicContact CD1-CB 4.5Å; I451-V493 HydrophobicContact CD1-CG1 3.95Å; Y458-V493 HydrophobicContact CD1-CG1 4.27Å; Y458-V493 HydrophobicContact CE1-CG1 4.13Å; L460-V493 HydrophobicContact CD1-CG1 4.31Å; L460-V493 HydrophobicContact CD2-CG1 3.96Å; L460-V493 HydrophobicContact CD2-CG2 3.99Å; F489-V493 HydrophobicContact CB-CG2 4.1Å; F489-V493 HydrophobicContact CD1-CG2 3.82Å; F489-V493 HydrophobicContact CD2-CG2 4.31Å; F489-V493 HydrophobicContact CE1-CG2 4.36Å; F489-V493 HydrophobicContact CG-CG2 3.81Å; D491-V493 PolarHBondContact O-N 3.26Å; V493-T495 PolarHBondContact O-N 3.37Å; V493-T495 PolarHBondContact O-OG1 3.11Å
494	P	92.4	Very high	93.4	Very high	15 Å²	15	42.4 Å²	42.4	10%	0.097	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	107.4	171.2	-20.1	32.9	0	0	0	109.9	V425 P453 S454 Y458	V425-P494 CarbonylContact O-C 3.51Å; V425-P494 WeakPolarHBondContact O-CA 3.24Å; P453-P494 CarbonylContact C-O 3.39Å; P453-P494 VanDerWaalsContact CA-O 3.23Å; P453-P494 WeakPolarHBondContact CA-O 3.34Å; S454-P494 PolarHBondContact N-O 2.89Å; S454-P494 VanDerWaalsContact OG-CB 3.29Å; S454-P494 WeakPolarHBondContact OG-CB 3.38Å; S454-P494 PolarHBondContact OG-O 3.39Å; Y458-P494 HydrophobicContact CD2-CG 4.28Å; Y458-P494 HydrophobicContact CE2-CG 3.94Å
495	T	94.1	Very high	93.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127	-167.6	-56.8	0	0	0	0	110.4	F421 P424 V425 L427 I451 Q452 V493 S497	F421-T495 HydrophobicContact CD2-CG2 4.13Å; F421-T495 HydrophobicContact CE2-CG2 3.94Å; P424-T495 WeakPolarHBondContact CA-O 3.38Å; P424-T495 WeakPolarHBondContact CB-O 3.34Å; V425-T495 PolarHBondContact N-O 3.41Å; V425-T495 PolarHBondContact O-N 3.34Å; L427-T495 WeakPolarHBondContact CB-OG1 3.41Å; L427-T495 HydrophobicContact CD2-CG2 4.14Å; I451-T495 HydrophobicContact CB-CG2 4.06Å; I451-T495 HydrophobicContact CG2-CG2 4.35Å; Q452-T495 CarbonylContact O-C 3.57Å; Q452-T495 WeakPolarHBondContact O-CA 3.35Å; V493-T495 PolarHBondContact O-N 3.37Å; V493-T495 PolarHBondContact O-OG1 3.11Å; T495-S497 WeakPolarHBondContact CG2-O 3.42Å
496	S	94.4	Very high	93	Very high	27 Å²	27	41.7 Å²	41.7	19%	0.189	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-35.5	173.1	50.9	0	0	0	0	112.2	F421 Q452	F421-S496 PolarHBondContact N-O 2.66Å; Q452-S496 PolarHBondContact O-N 3.13Å; Q452-S496 PolarHBondContact O-OG 2.97Å; Q452-S496 PolarHBondContact OE1-OG 2.7Å
497	S	95.7	Very high	92.5	Very high	2 Å²	2	44 Å²	44	1%	0.014	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	155.4	179.4	62.9	0	0	0	0	113.5	I419 I451 Q452 Y472 T495	I419-S497 CarbonylContact O-C 3.56Å; I419-S497 WeakPolarHBondContact O-CA 3.37Å; I419-S497 WeakPolarHBondContact O-CB 3.46Å; I451-S497 WeakPolarHBondContact CA-O 3.26Å; Q452-S497 WeakPolarHBondContact CB-OG 3.48Å; Q452-S497 PolarHBondContact N-O 3.08Å; Q452-S497 PolarHBondContact O-N 2.01Å; Q452-S497 PolarHBondContact OE1-OG 3.49Å; Y472-S497 VanDerWaalsContact CE1-OG 3.28Å; Y472-S497 WeakPolarHBondContact CE1-OG 3.39Å; Y472-S497 PolarHBondContact OH-OG 2.94Å; T495-S497 WeakPolarHBondContact CG2-O 3.42Å
498	L	96.9	Very high	92.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.1	168.6	172.6	69.6	0	0	0	108.2	I419 F421 F430 F432 E450 I451 L500 I517	I419-L498 HydrophobicContact CB-CB 4.33Å; I419-L498 HydrophobicContact CD1-CD2 4.22Å; I419-L498 PolarHBondContact N-O 3.34Å; I419-L498 PolarHBondContact O-N 2.95Å; F421-L498 HydrophobicContact CE2-CB 4.09Å; F421-L498 HydrophobicContact CZ-CB 4.23Å; F430-L498 HydrophobicContact CD1-CD1 4.14Å; F430-L498 HydrophobicContact CD1-CD2 4.21Å; F430-L498 HydrophobicContact CE1-CD1 3.71Å; F430-L498 HydrophobicContact CG-CD2 4.3Å; F430-L498 HydrophobicContact CZ-CD1 3.98Å; F432-L498 HydrophobicContact CE2-CD2 3.76Å; F432-L498 HydrophobicContact CZ-CD2 3.91Å; E450-L498 CarbonylContact O-C 3.57Å; E450-L498 WeakPolarHBondContact O-CA 3.31Å; E450-L498 WeakPolarHBondContact O-CD1 3.3Å; I451-L498 HydrophobicContact CG2-CD1 3.61Å; L498-L500 HydrophobicContact CG-CD1 4.45Å; L498-I517 HydrophobicContact CD2-CD1 3.65Å
499	R	96.7	Very high	92.1	Very high	7 Å²	7	46.4 Å²	46.4	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.1	-179.7	175.1	171	71.8	-161.2	6	111.1	L417 N418 E450 S468 D470 Y472 S501	L417-R499 CarbonylContact O-C 3.59Å; L417-R499 VanDerWaalsContact O-CA 3.29Å; L417-R499 WeakPolarHBondContact O-CA 3.26Å; N418-R499 VanDerWaalsContact OD1-CD 3.32Å; N418-R499 WeakPolarHBondContact OD1-CD 3.48Å; N418-R499 VanDerWaalsContact OD1-CG 3.22Å; N418-R499 WeakPolarHBondContact OD1-CG 3.38Å; E450-R499 HydrophobicContact CB-CB 4.45Å; E450-R499 PolarHBondContact N-O 3.4Å; E450-R499 PolarHBondContact O-N 2.87Å; E450-R499 IonicContact OE1-CZ 3.45Å; E450-R499 IonicContact OE1-NE 3.33Å; E450-R499 IonicContact OE1-NH2 2.8Å; E450-R499 PolarHBondContact OE1-NH2 2.86Å; E450-R499 IonicContact OE2-CZ 2.72Å; E450-R499 IonicContact OE2-NE 2.94Å; E450-R499 PolarHBondContact OE2-NE 2.85Å; E450-R499 IonicContact OE2-NH2 3.54Å; E450-R499 PolarHBondContact OE2-NH2 3.09Å; S468-R499 PolarHBondContact OG-NH2 3.14Å; D470-R499 IonicContact OD1-NH1 3.3Å; D470-R499 IonicContact OD1-NH2 3.43Å; D470-R499 PolarHBondContact OD1-NH2 3.06Å; D470-R499 IonicContact OD2-CZ 3.3Å; D470-R499 IonicContact OD2-NH1 2.87Å; D470-R499 PolarHBondContact OD2-NH1 3.33Å; D470-R499 IonicContact OD2-NH2 3.76Å; D470-R499 PolarHBondContact OD2-NH2 2.88Å; Y472-R499 HydrophobicContact CD1-CB 4.05Å; Y472-R499 HydrophobicContact CE1-CB 3.59Å; R499-S501 PolarHBondContact NE-OG 2.9Å
500	L	97.3	Very high	92.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126	163.3	-76.6	61.4	0	0	0	108	R416 L417 F432 F444 T447 I448 F449 L498 F502	R416-L500 WeakPolarHBondContact CA-O 3.13Å; L417-L500 HydrophobicContact CB-CB 4.22Å; L417-L500 PolarHBondContact N-O 3.42Å; L417-L500 PolarHBondContact O-N 3.27Å; F432-L500 HydrophobicContact CD1-CD2 4.07Å; F432-L500 HydrophobicContact CE1-CD1 4.17Å; F432-L500 HydrophobicContact CE1-CD2 4.03Å; F432-L500 HydrophobicContact CE2-CD1 4.49Å; F432-L500 HydrophobicContact CZ-CD1 4.02Å; F444-L500 HydrophobicContact CE1-CD2 4.14Å; T447-L500 HydrophobicContact CG2-CB 4.14Å; T447-L500 HydrophobicContact CG2-CD2 4.41Å; T447-L500 HydrophobicContact CG2-CG 4.34Å; I448-L500 CarbonylContact O-C 3.59Å; I448-L500 WeakPolarHBondContact O-CA 3.32Å; F449-L500 HydrophobicContact CD1-CD1 3.64Å; F449-L500 HydrophobicContact CD1-CD2 4.24Å; F449-L500 HydrophobicContact CD1-CG 3.68Å; F449-L500 HydrophobicContact CE1-CD1 3.76Å; F449-L500 HydrophobicContact CE1-CD2 3.56Å; F449-L500 HydrophobicContact CE1-CG 3.53Å; F449-L500 HydrophobicContact CG-CG 4.28Å; F449-L500 HydrophobicContact CZ-CD2 3.81Å; F449-L500 HydrophobicContact CZ-CG 3.99Å; L498-L500 HydrophobicContact CG-CD1 4.45Å; L500-F502 HydrophobicContact CB-CE2 4.08Å; L500-F502 HydrophobicContact CB-CZ 4.36Å
501	S	96	Very high	92.5	Very high	15 Å²	15	35.8 Å²	35.8	11%	0.105	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.4	179.4	-67.4	0	0	0	0	110.5	I448 E450 R499 P503	I448-S501 PolarHBondContact N-O 3.08Å; I448-S501 PolarHBondContact O-N 3.24Å; E450-S501 WeakPolarHBondContact OE2-CB 3.01Å; E450-S501 PolarHBondContact OE2-OG 3.28Å; R499-S501 PolarHBondContact NE-OG 2.9Å; S501-P503 VanDerWaalsContact O-CD 3.28Å; S501-P503 WeakPolarHBondContact O-CD 3.38Å
502	F	95.7	Very high	92.9	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.013	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	89.7	-178.4	-61.1	-93.1	0	0	0	109.5	L388 P411 G414 D415 T447 L500 V504 L510	L388-F502 HydrophobicContact CD1-CD2 4.36Å; L388-F502 HydrophobicContact CD1-CE2 3.72Å; L388-F502 HydrophobicContact CD1-CZ 3.98Å; P411-F502 HydrophobicContact CB-CB 4.09Å; P411-F502 HydrophobicContact CB-CD1 3.7Å; P411-F502 HydrophobicContact CB-CE1 4.39Å; P411-F502 HydrophobicContact CB-CG 3.96Å; P411-F502 HydrophobicContact CG-CD1 3.86Å; P411-F502 HydrophobicContact CG-CE1 4.08Å; G414-F502 PolarHBondContact N-O 3.31Å; D415-F502 HydrophobicContact CB-CB 4.05Å; D415-F502 HydrophobicContact CB-CD2 4.16Å; D415-F502 HydrophobicContact CB-CG 4.38Å; D415-F502 WeakPolarHBondContact O-CD2 3.35Å; D415-F502 PolarHBondContact O-N 3.09Å; T447-F502 HydrophobicContact CG2-CD1 4.06Å; T447-F502 HydrophobicContact CG2-CE1 3.59Å; T447-F502 HydrophobicContact CG2-CE2 4.33Å; T447-F502 HydrophobicContact CG2-CZ 3.74Å; T447-F502 VanDerWaalsContact OG1-CE1 3.31Å; T447-F502 WeakPolarHBondContact OG1-CE1 3.36Å; L500-F502 HydrophobicContact CB-CE2 4.08Å; L500-F502 HydrophobicContact CB-CZ 4.36Å; F502-V504 VanDerWaalsContact C-N 3.3Å; F502-V504 PolarHBondContact O-N 3.08Å; F502-L510 HydrophobicContact CE1-CD2 3.58Å; F502-L510 HydrophobicContact CZ-CD2 3.47Å; F502-L510 VanDerWaalsContact CZ-CD2 3.47Å
503	P	93.5	Very high	93	Very high	68 Å²	68	29.3 Å²	29.3	44%	0.442	18%	0.175	S	C	.	.			trans	-74.9	-18.2	-175.8	30.6	-36.3	0	0	0	113.5	A413 G446 I448 S501	A413-P503 WeakPolarHBondContact CB-O 3.3Å; G446-P503 WeakPolarHBondContact O-CD 3.28Å; G446-P503 VanDerWaalsContact O-CG 3.23Å; G446-P503 WeakPolarHBondContact O-CG 3.44Å; I448-P503 HydrophobicContact CD1-CG 4.01Å; I448-P503 HydrophobicContact CG1-CG 4.41Å; S501-P503 VanDerWaalsContact O-CD 3.28Å; S501-P503 WeakPolarHBondContact O-CD 3.38Å
504	V	91.4	Very high	93	Very high	67 Å²	67	29.3 Å²	29.3	41%	0.406	18%	0.175	S	C	.	.	S	Bend	trans	-121.4	142.3	-175.9	-64.9	0	0	0	0	111	F502	F502-V504 VanDerWaalsContact C-N 3.3Å; F502-V504 PolarHBondContact O-N 3.08Å
505	S	92.8	Very high	93	Very high	82 Å²	82	28.8 Å²	28.8	57%	0.573	17%	0.171	S	C	*	.			trans	-74	131.5	172.1	-61.1	0	0	0	0	110.3	P411 A413	P411-S505 WeakPolarHBondContact O-CA 3.45Å; A413-S505 PolarHBondContact N-OG 3.06Å
506	C	90.2	Very high	93.1	Very high	25 Å²	25	32.8 Å²	32.8	17%	0.169	19%	0.186	C	C	.	.			trans	-100.6	156.2	179.9	-62.4	0	0	0	0	110.7	A410 P411	A410-C506 WeakPolarHBondContact CB-O 3.39Å; P411-C506 PolarHBondContact O-N 3.35Å
507	V	86.2	Confident	93.1	Very high	137 Å²	137	31.7 Å²	31.7	83%	0.83	18%	0.178	S	C	*	.	S	Bend	trans	-90.1	-39.6	171.2	-178.6	0	0	0	0	110.6
508	N	87.5	Confident	93	Very high	67 Å²	67	33.8 Å²	33.8	36%	0.358	19%	0.186	S	C	.	.	S	Bend	trans	-84.5	158.9	179.8	-59.7	-32.5	0	0	0	111.4	A410 N441	A410-N508 VanDerWaalsContact CA-O 3.26Å; A410-N508 WeakPolarHBondContact CA-O 3.48Å; A410-N508 VanDerWaalsContact CB-O 3.25Å; A410-N508 WeakPolarHBondContact CB-O 3.35Å; N441-N508 WeakPolarHBondContact O-CB 3.3Å; N441-N508 PolarHBondContact O-ND2 3.07Å
509	W	92.1	Very high	92.7	Very high	75 Å²	75	36 Å²	36	28%	0.284	20%	0.199	S	C	.	.			trans	-71.6	171.2	175.2	-74.3	26.4	0	0	0	110.5	Y391 W407 A408 F409 D442	Y391-W509 HydrophobicContact CD1-CZ3 4.14Å; Y391-W509 AromaticContact CD2-CH2 3.68Å; Y391-W509 HydrophobicContact CD2-CH2 3.68Å; Y391-W509 AromaticContact CD2-CZ3 3.77Å; Y391-W509 HydrophobicContact CD2-CZ3 3.77Å; Y391-W509 HydrophobicContact CE2-CH2 4.07Å; Y391-W509 HydrophobicContact CE2-CZ3 4.4Å; Y391-W509 HydrophobicContact CG-CH2 4.06Å; Y391-W509 AromaticContact CG-CZ3 3.63Å; Y391-W509 HydrophobicContact CG-CZ3 3.63Å; W407-W509 HydrophobicContact CD2-CE3 4.15Å; W407-W509 HydrophobicContact CD2-CZ3 4.36Å; W407-W509 AromaticContact CE2-CE3 3.64Å; W407-W509 HydrophobicContact CG-CE3 4.4Å; W407-W509 AromaticContact CZ2-CE3 3.97Å; W407-W509 HydrophobicContact CZ2-CE3 3.97Å; W407-W509 HydrophobicContact CZ2-CZ3 4.17Å; W407-W509 AromaticContact NE1-CE3 3.62Å; A408-W509 WeakPolarHBondContact O-CB 3.22Å; F409-W509 HydrophobicContact CD1-CD2 4.19Å; F409-W509 AromaticContact CD1-CE2 3.52Å; F409-W509 AromaticContact CD1-CH2 3.75Å; F409-W509 HydrophobicContact CD1-CH2 3.75Å; F409-W509 AromaticContact CD1-CZ2 3.29Å; F409-W509 HydrophobicContact CD1-CZ2 3.29Å; F409-W509 HydrophobicContact CD1-CZ3 4.34Å; F409-W509 AromaticContact CD1-NE1 3.97Å; F409-W509 AromaticContact CE1-CH2 3.44Å; F409-W509 HydrophobicContact CE1-CH2 3.44Å; F409-W509 VanDerWaalsContact CE1-CH2 3.44Å; F409-W509 AromaticContact CE1-CZ2 3.33Å; F409-W509 HydrophobicContact CE1-CZ2 3.33Å; F409-W509 HydrophobicContact CE1-CZ3 4.25Å; F409-W509 HydrophobicContact CG-CZ2 4.49Å; F409-W509 HydrophobicContact CZ-CH2 4.33Å; D442-W509 CarbonylContact C-O 3.09Å; D442-W509 WeakPolarHBondContact CA-O 3.27Å; D442-W509 WeakPolarHBondContact CB-O 3.16Å
510	L	94.1	Very high	92	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.1	176.1	178.5	70.1	0	0	0	109.9	L388 W407 A408 P411 F444 F502 I512	L388-L510 HydrophobicContact CD1-CD2 4.01Å; W407-L510 CarbonylContact C-O 3.17Å; W407-L510 WeakPolarHBondContact CA-O 3.22Å; A408-L510 PolarHBondContact N-O 2.94Å; A408-L510 PolarHBondContact O-N 3.49Å; P411-L510 HydrophobicContact CG-CB 3.92Å; P411-L510 HydrophobicContact CG-CD2 4.31Å; F444-L510 HydrophobicContact CD1-CD1 3.61Å; F444-L510 HydrophobicContact CE1-CD1 3.8Å; F444-L510 HydrophobicContact CE1-CD2 4.45Å; F444-L510 HydrophobicContact CG-CD1 4.41Å; F502-L510 HydrophobicContact CE1-CD2 3.58Å; F502-L510 HydrophobicContact CZ-CD2 3.47Å; F502-L510 VanDerWaalsContact CZ-CD2 3.47Å; L510-I512 HydrophobicContact CD2-CD1 4.43Å; L510-I512 HydrophobicContact CD2-CG1 4.4Å; L510-I512 HydrophobicContact CG-CG1 4.33Å
511	L	91	Very high	90.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.8	173.5	-171.9	156.7	0	0	0	108.8	L373 F406 W407 S434 G435 H439 D442	L373-L511 HydrophobicContact CD2-CD1 4.39Å; F406-L511 CarbonylContact O-C 3.5Å; F406-L511 WeakPolarHBondContact O-CA 3.4Å; W407-L511 HydrophobicContact CG-CB 4.49Å; W407-L511 HydrophobicContact CG-CD1 4.44Å; W407-L511 HydrophobicContact CG-CG 4.49Å; S434-L511 CarbonylContact C-O 3.57Å; S434-L511 WeakPolarHBondContact CA-O 3.35Å; S434-L511 VanDerWaalsContact CB-O 3.25Å; S434-L511 WeakPolarHBondContact CB-O 3.44Å; S434-L511 PolarHBondContact OG-O 3.34Å; G435-L511 PolarHBondContact N-O 2.78Å; H439-L511 HydrophobicContact CB-CD1 4.22Å; D442-L511 HydrophobicContact CB-CB 3.81Å; D442-L511 PolarHBondContact O-N 3.24Å
512	I	94.8	Very high	87.6	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	106.1	170.7	-56	180	0	0	0	108.5	H405 F406 L417 F432 A433 F444 L510 E514 L515	H405-I512 VanDerWaalsContact CB-O 3.25Å; H405-I512 WeakPolarHBondContact CB-O 3.07Å; F406-I512 HydrophobicContact CB-CB 4.19Å; F406-I512 HydrophobicContact CD1-CB 4.43Å; F406-I512 HydrophobicContact CD1-CD1 3.71Å; F406-I512 HydrophobicContact CD1-CG1 3.98Å; F406-I512 HydrophobicContact CE1-CD1 4.35Å; F406-I512 PolarHBondContact N-O 2.93Å; F406-I512 PolarHBondContact O-N 3.13Å; L417-I512 HydrophobicContact CD1-CD1 4.07Å; F432-I512 HydrophobicContact CD1-CD1 4.28Å; F432-I512 HydrophobicContact CD1-CG2 3.98Å; A433-I512 CarbonylContact O-C 3.51Å; A433-I512 WeakPolarHBondContact O-CA 3.42Å; F444-I512 HydrophobicContact CE1-CD1 4.23Å; F444-I512 HydrophobicContact CE1-CG1 4.13Å; F444-I512 HydrophobicContact CZ-CD1 4.32Å; F444-I512 HydrophobicContact CZ-CG1 4.05Å; L510-I512 HydrophobicContact CD2-CD1 4.43Å; L510-I512 HydrophobicContact CD2-CG1 4.4Å; L510-I512 HydrophobicContact CG-CG1 4.33Å; I512-E514 WeakPolarHBondContact CG2-O 3.14Å; I512-L515 HydrophobicContact CG2-CB 4.39Å
513	S	88.8	Confident	84.3	Confident	17 Å²	17	55.9 Å²	55.9	12%	0.119	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-23.9	-176.4	51.9	0	0	0	0	112.9	L373 F374 K375 A433 S434 G435	L373-S513 WeakPolarHBondContact O-CA 3.5Å; L373-S513 WeakPolarHBondContact O-CB 3.4Å; F374-S513 CarbonylContact C-O 3.49Å; F374-S513 VanDerWaalsContact C-O 3.32Å; F374-S513 WeakPolarHBondContact CA-O 3.37Å; F374-S513 WeakPolarHBondContact CB-O 3.49Å; K375-S513 PolarHBondContact N-O 3.2Å; A433-S513 WeakPolarHBondContact CB-OG 3.36Å; A433-S513 PolarHBondContact O-N 3.21Å; A433-S513 PolarHBondContact O-OG 2.79Å; S434-S513 PolarHBondContact N-OG 3.09Å; G435-S513 WeakPolarHBondContact O-CB 3.4Å; G435-S513 PolarHBondContact O-OG 2.72Å
514	E	91.1	Very high	81.2	Confident	6 Å²	6	65.3 Å²	65.3	3%	0.028	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	131.9	172.9	-172.9	174	-164.9	0	0	108	K375 H377 T431 F432 A433 R484 I512	K375-E514 HydrophobicContact CB-CB 4.19Å; K375-E514 HydrophobicContact CB-CG 3.98Å; K375-E514 HydrophobicContact CD-CG 4.41Å; K375-E514 VanDerWaalsContact CD-OE1 3.24Å; K375-E514 WeakPolarHBondContact CD-OE1 3.47Å; K375-E514 VanDerWaalsContact CE-OE1 3.27Å; K375-E514 WeakPolarHBondContact CE-OE1 3.45Å; K375-E514 HydrophobicContact CG-CG 4.34Å; K375-E514 IonicContact NZ-OE1 2.74Å; K375-E514 PolarHBondContact NZ-OE1 2.91Å; H377-E514 IonicContact CD2-OE1 3.24Å; H377-E514 IonicContact CE1-OE1 2.96Å; H377-E514 WeakPolarHBondContact NE2-CG 3.33Å; H377-E514 IonicContact NE2-OE1 3.27Å; H377-E514 PolarHBondContact NE2-OE1 3.49Å; T431-E514 HydrophobicContact CG2-CG 4.34Å; F432-E514 CarbonylContact C-O 3.58Å; F432-E514 VanDerWaalsContact CA-O 3.23Å; F432-E514 WeakPolarHBondContact CA-O 3.37Å; A433-E514 HydrophobicContact CB-CB 3.48Å; A433-E514 VanDerWaalsContact CB-CB 3.48Å; A433-E514 PolarHBondContact N-O 3.3Å; A433-E514 PolarHBondContact O-N 2.83Å; R484-E514 IonicContact CZ-OE2 3.36Å; R484-E514 IonicContact NH1-OE2 2.71Å; R484-E514 PolarHBondContact NH1-OE2 3.41Å; R484-E514 IonicContact NH2-OE1 3.99Å; R484-E514 IonicContact NH2-OE2 3.14Å; R484-E514 PolarHBondContact NH2-OE2 3.39Å; R484-E514 VanDerWaalsContact NH2-OE2 3.14Å; I512-E514 WeakPolarHBondContact CG2-O 3.14Å
515	L	94	Very high	80.6	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.021	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	103.6	170.4	-166.4	165.6	0	0	0	107.6	N379 L396 Y400 I419 F432 I512 I517	N379-L515 PolarHBondContact ND2-O 3.41Å; N379-L515 PolarHBondContact OD1-O 2.87Å; L396-L515 HydrophobicContact CD1-CD1 4.08Å; Y400-L515 HydrophobicContact CD2-CD1 4.05Å; Y400-L515 HydrophobicContact CD2-CD2 3.52Å; Y400-L515 HydrophobicContact CD2-CG 4.47Å; Y400-L515 HydrophobicContact CE2-CD2 3.88Å; Y400-L515 HydrophobicContact CG-CD2 4.46Å; I419-L515 HydrophobicContact CD1-CD1 4.39Å; I419-L515 HydrophobicContact CD1-CD2 4.5Å; F432-L515 HydrophobicContact CD1-CG 4.17Å; F432-L515 HydrophobicContact CE1-CB 4.48Å; F432-L515 HydrophobicContact CE1-CD1 3.71Å; F432-L515 HydrophobicContact CE1-CD2 4.5Å; F432-L515 HydrophobicContact CE1-CG 3.56Å; F432-L515 HydrophobicContact CZ-CD1 4.19Å; F432-L515 HydrophobicContact CZ-CD2 4.27Å; F432-L515 HydrophobicContact CZ-CG 3.8Å; I512-L515 HydrophobicContact CG2-CB 4.39Å; L515-I517 HydrophobicContact CD2-CD1 3.99Å; L515-I517 HydrophobicContact CD2-CG1 3.9Å
516	W	94.2	Very high	80	Confident	84 Å²	84	64.3 Å²	64.3	32%	0.318	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	117.8	-178.4	-172.1	22.6	0	0	0	111.1	H377 N379 F430 T431 R518	H377-W516 HydrophobicContact CB-CB 4.23Å; H377-W516 HydrophobicContact CB-CG 4.17Å; H377-W516 VanDerWaalsContact CD2-CB 3.49Å; H377-W516 WeakPolarHBondContact CD2-CB 3.19Å; H377-W516 AromaticContact CD2-CG 3.88Å; H377-W516 AromaticContact CE1-CD1 4Å; H377-W516 AromaticContact CE1-CD2 3.54Å; H377-W516 AromaticContact CE1-CE3 3.9Å; H377-W516 AromaticContact CE1-CG 3.55Å; H377-W516 AromaticContact CG-CD1 3.58Å; H377-W516 AromaticContact CG-CG 3.58Å; H377-W516 AromaticContact ND1-CD1 3.38Å; H377-W516 AromaticContact ND1-CD2 3.68Å; H377-W516 AromaticContact ND1-CE2 3.84Å; H377-W516 AromaticContact ND1-CG 3.4Å; H377-W516 AromaticContact ND1-NE1 3.64Å; H377-W516 AromaticContact NE2-CG 3.84Å; N379-W516 WeakPolarHBondContact OD1-CA 3.29Å; F430-W516 CarbonylContact C-O 3.55Å; F430-W516 WeakPolarHBondContact CA-O 3.39Å; F430-W516 VanDerWaalsContact CB-O 3.3Å; F430-W516 WeakPolarHBondContact CB-O 3.07Å; T431-W516 PolarHBondContact N-O 3.13Å; T431-W516 PolarHBondContact O-N 2.86Å; W516-R518 HydrophobicContact CD2-CG 3.72Å; W516-R518 VanDerWaalsContact CE2-CG 3.4Å; W516-R518 HydrophobicContact CE3-CG 4.2Å; W516-R518 HydrophobicContact CG-CG 4.2Å; W516-R518 HydrophobicContact CH2-CG 4.15Å; W516-R518 HydrophobicContact CZ2-CG 3.64Å; W516-R518 HydrophobicContact CZ3-CG 4.4Å
517	I	95.1	Very high	79.4	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.021	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.8	174.3	-51.5	-55.1	0	0	0	107.6	N379 P380 Y400 F421 L427 F430 F432 L498 L515 V519	N379-I517 HydrophobicContact CB-CB 4.48Å; N379-I517 HydrophobicContact CB-CG1 4.35Å; N379-I517 PolarHBondContact OD1-N 3.01Å; P380-I517 HydrophobicContact CG-CB 4.3Å; P380-I517 HydrophobicContact CG-CG2 3.87Å; Y400-I517 HydrophobicContact CE2-CG1 4.04Å; F421-I517 HydrophobicContact CE1-CG2 3.94Å; F421-I517 HydrophobicContact CZ-CG2 3.86Å; L427-I517 HydrophobicContact CD1-CG2 3.57Å; F430-I517 HydrophobicContact CB-CD1 3.92Å; F432-I517 HydrophobicContact CE2-CD1 4.17Å; F432-I517 HydrophobicContact CZ-CD1 4.34Å; L498-I517 HydrophobicContact CD2-CD1 3.65Å; L515-I517 HydrophobicContact CD2-CD1 3.99Å; L515-I517 HydrophobicContact CD2-CG1 3.9Å; I517-V519 HydrophobicContact CG2-CG1 4.21Å
518	R	93.1	Very high	79	Confident	46 Å²	46	62.4 Å²	62.4	17%	0.174	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.9	-179.6	-62.2	173.1	-68.8	-164.8	-5.1	109.2	L427 S428 G429 F430 N486 V487 S488 W516	L427-R518 WeakPolarHBondContact CD1-O 3.34Å; S428-R518 PolarHBondContact N-O 3.42Å; S428-R518 VanDerWaalsContact OG-C 3.29Å; S428-R518 WeakPolarHBondContact OG-CB 3.11Å; S428-R518 PolarHBondContact OG-O 3.43Å; S428-R518 VanDerWaalsContact OG-O 3.08Å; G429-R518 PolarHBondContact N-O 2.95Å; G429-R518 WeakPolarHBondContact O-CA 3.46Å; G429-R518 WeakPolarHBondContact O-CB 3.33Å; G429-R518 PolarHBondContact O-N 3.22Å; F430-R518 PolarHBondContact O-NH2 3.38Å; N486-R518 PolarHBondContact OD1-NH1 2.6Å; N486-R518 PolarHBondContact OD1-NH2 3.11Å; V487-R518 PolarHBondContact O-NH2 3.18Å; S488-R518 PolarHBondContact OG-NH2 3.23Å; S488-R518 VanDerWaalsContact OG-NH2 3.15Å; W516-R518 HydrophobicContact CD2-CG 3.72Å; W516-R518 VanDerWaalsContact CE2-CG 3.4Å; W516-R518 HydrophobicContact CE3-CG 4.2Å; W516-R518 HydrophobicContact CG-CG 4.2Å; W516-R518 HydrophobicContact CH2-CG 4.15Å; W516-R518 HydrophobicContact CZ2-CG 3.64Å; W516-R518 HydrophobicContact CZ3-CG 4.4Å
519	V	91	Very high	78.5	Confident	45 Å²	45	62.1 Å²	62.1	27%	0.273	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.2	178.9	-61.9	0	0	0	0	109.5	P380 V425 N426 I517 N521	P380-V519 HydrophobicContact CB-CG1 4.49Å; P380-V519 HydrophobicContact CG-CG1 4Å; V425-V519 HydrophobicContact CB-CG1 3.75Å; V425-V519 HydrophobicContact CG1-CG1 4.23Å; V425-V519 HydrophobicContact CG2-CG1 3.84Å; N426-V519 VanDerWaalsContact O-CA 3.32Å; N426-V519 WeakPolarHBondContact O-CA 3.43Å; I517-V519 HydrophobicContact CG2-CG1 4.21Å; V519-N521 PolarHBondContact O-N 3.06Å
520	Q	83.2	Confident	77.6	Confident	115 Å²	115	61.2 Å²	61.2	54%	0.537	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-81.1	117.1	167.3	-171.9	176.5	23	0	0	107.8	N426 V492 A522	N426-Q520 PolarHBondContact O-N 3.42Å; V492-Q520 HydrophobicContact CG1-CB 3.78Å; V492-Q520 VanDerWaalsContact CG1-OE1 3.26Å; Q520-A522 PolarHBondContact O-N 2.97Å; Q520-A522 VanDerWaalsContact O-N 3.14Å
521	N	60.1	Low	76.4	Confident	143 Å²	143	65.4 Å²	65.4	77%	0.765	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-57.8	121.5	172	-75.3	-22.9	0	0	0	108.2	V519 A523	V519-N521 PolarHBondContact O-N 3.06Å; N521-A523 PolarHBondContact O-N 2.93Å
522	A	39.6	Very low	75.3	Confident	78 Å²	78	70.5 Å²	70.5	65%	0.645	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-58.6	121.3	157.3	0	0	0	0	0	105.6	Q520 Q524	Q520-A522 PolarHBondContact O-N 2.97Å; Q520-A522 VanDerWaalsContact O-N 3.14Å; A522-Q524 PolarHBondContact O-N 2.87Å
523	A	25.9	Very low	73.7	Confident	108 Å²	108	76.3 Å²	76.3	89%	0.893	42%	0.419	S	S	*	.			trans	-46.3	116	175.6	0	0	0	0	0	109	N521	N521-A523 PolarHBondContact O-N 2.93Å
524	Q	28.4	Very low	72.3	Confident	265 Å²	265	81.6 Å²	81.6	100%	1.238	45%	0.447	S	S	*	.			trans	-107.2	0	162.3	-82.2	-167.8	-9.5	0	0	108	A522	A522-Q524 PolarHBondContact O-N 2.87Å

Retrieved 524 of 524 residues in 1151.3 ms (Link to these results)

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