A0A5K4F269_SCHMA Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F269, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 272 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	37.6	Very low	55.5	Low	242 Å²	242	131.5 Å²	131.5	100%	1.192	75%	0.745	S	S	*	*				0	104	0	-78.5	174.7	169.6	0	0	107.7	G3	M1-G3 PolarHBondContact O-N 3.32Å
2	F	40.5	Very low	57.1	Low	218 Å²	218	129.1 Å²	129.1	96%	0.956	72%	0.716	S	S	*	*			trans	-75	108.5	169.6	-69	-80.9	0	0	0	107
3	G	36.7	Very low	58.5	Low	57 Å²	57	123.7 Å²	123.7	59%	0.588	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-64.7	151.7	175.1	0	0	0	0	0	110.9	M1 H5	M1-G3 PolarHBondContact O-N 3.32Å; G3-H5 PolarHBondContact O-N 3.38Å
4	P	42.8	Very low	60.3	Low	128 Å²	128	122.7 Å²	122.7	83%	0.831	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-66	129.3	-179.9	29	-32.1	0	0	0	109.1
5	H	46.1	Very low	61.6	Low	177 Å²	177	125 Å²	125	82%	0.819	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-56.9	131	168.8	-71.8	-69.8	0	0	0	108.7	G3	G3-H5 PolarHBondContact O-N 3.38Å
6	P	52.1	Low	62.6	Low	111 Å²	111	122.3 Å²	122.3	72%	0.721	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-59.5	138.4	178.8	23.7	-32.1	0	0	0	109.5	K8	P6-K8 PolarHBondContact O-N 3.25Å
7	P	56.4	Low	64	Low	123 Å²	123	117.9 Å²	117.9	80%	0.799	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-57.6	129.4	176.5	23	-31.2	0	0	0	108.8	S9	P7-S9 PolarHBondContact O-N 3.35Å
8	K	63.9	Low	65.4	Low	138 Å²	138	117.5 Å²	117.5	60%	0.6	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-52.3	125.8	173	-74.4	169.7	167.2	-174.7	0	108	P6 Y12	P6-K8 PolarHBondContact O-N 3.25Å; K8-Y12 HydrophobicContact CB-CD1 3.76Å; K8-Y12 HydrophobicContact CB-CE1 4.38Å; K8-Y12 HydrophobicContact CB-CG 4.45Å; K8-Y12 HydrophobicContact CD-CD1 3.71Å; K8-Y12 HydrophobicContact CD-CE1 3.43Å; K8-Y12 VanDerWaalsContact CD-CE1 3.43Å; K8-Y12 VanDerWaalsContact CE-CE1 3.49Å; K8-Y12 HydrophobicContact CG-CD1 3.78Å; K8-Y12 HydrophobicContact CG-CE1 3.91Å
9	S	76.9	Confident	66.3	Low	74 Å²	74	118.3 Å²	118.3	52%	0.517	64%	0.644	S	S	.	*	P	Polyproline II helix	trans	-60	150.5	-179	67.1	0	0	0	0	110.6	P7 G11 Y12 C13	P7-S9 PolarHBondContact O-N 3.35Å; S9-G11 PolarHBondContact O-N 3.43Å; S9-G11 VanDerWaalsContact O-N 3.14Å; S9-Y12 WeakPolarHBondContact O-CA 3.45Å; S9-Y12 WeakPolarHBondContact O-CB 3.39Å; S9-Y12 PolarHBondContact O-N 3.13Å; S9-Y12 PolarHBondContact OG-N 3.38Å; S9-C13 PolarHBondContact O-N 2.92Å; S9-C13 VanDerWaalsContact O-N 3.13Å
10	L	77.1	Confident	67.1	Low	131 Å²	131	118.6 Å²	118.6	69%	0.686	64%	0.641	S	S	*	*	H	α-helix	trans	-50.1	-39.6	173.1	177.9	63.9	0	0	0	111.2	Y12 C13 M14	L10-Y12 PolarHBondContact O-N 2.9Å; L10-C13 PolarHBondContact O-N 3.34Å; L10-M14 HydrophobicContact CD1-CG 4.25Å; L10-M14 HydrophobicContact CD1-SD 4.38Å; L10-M14 HydrophobicContact CG-CG 4.36Å; L10-M14 HydrophobicContact CG-SD 4.05Å; L10-M14 WeakPolarHBondContact O-CG 3.44Å; L10-M14 PolarHBondContact O-N 3.27Å
11	G	80.4	Confident	68.2	Low	47 Å²	47	116.5 Å²	116.5	49%	0.485	63%	0.633	S	S	.	*	H	α-helix	trans	-60.6	-38.9	175.3	0	0	0	0	0	114	S9 K15	S9-G11 PolarHBondContact O-N 3.43Å; S9-G11 VanDerWaalsContact O-N 3.14Å; G11-K15 WeakPolarHBondContact O-CB 3.2Å; G11-K15 PolarHBondContact O-N 3.21Å
12	Y	75.1	Confident	70.8	Confident	103 Å²	103	110 Å²	110	40%	0.404	60%	0.602	S	S	.	*	H	α-helix	trans	-65.7	-45.4	174.2	177.8	-90.2	0	0	0	111.5	K8 S9 L10 K15 L16	K8-Y12 HydrophobicContact CB-CD1 3.76Å; K8-Y12 HydrophobicContact CB-CE1 4.38Å; K8-Y12 HydrophobicContact CB-CG 4.45Å; K8-Y12 HydrophobicContact CD-CD1 3.71Å; K8-Y12 HydrophobicContact CD-CE1 3.43Å; K8-Y12 VanDerWaalsContact CD-CE1 3.43Å; K8-Y12 VanDerWaalsContact CE-CE1 3.49Å; K8-Y12 HydrophobicContact CG-CD1 3.78Å; K8-Y12 HydrophobicContact CG-CE1 3.91Å; S9-Y12 WeakPolarHBondContact O-CA 3.45Å; S9-Y12 WeakPolarHBondContact O-CB 3.39Å; S9-Y12 PolarHBondContact O-N 3.13Å; S9-Y12 PolarHBondContact OG-N 3.38Å; L10-Y12 PolarHBondContact O-N 2.9Å; Y12-K15 PolarHBondContact O-N 3.08Å; Y12-L16 HydrophobicContact CD1-CD1 3.9Å; Y12-L16 HydrophobicContact CD1-CG 4.3Å; Y12-L16 HydrophobicContact CE1-CD1 3.21Å; Y12-L16 HydrophobicContact CE1-CG 3.87Å; Y12-L16 PolarHBondContact O-N 2.92Å
13	C	74.9	Confident	72.8	Confident	59 Å²	59	103.9 Å²	103.9	40%	0.399	58%	0.576	S	S	.	*	H	α-helix	trans	-63.1	-43.1	177.9	-64.8	0	0	0	0	112	S9 L10 L16 A17	S9-C13 PolarHBondContact O-N 2.92Å; S9-C13 VanDerWaalsContact O-N 3.13Å; L10-C13 PolarHBondContact O-N 3.34Å; C13-L16 PolarHBondContact O-N 3.1Å; C13-A17 WeakPolarHBondContact O-CB 3.42Å; C13-A17 PolarHBondContact O-N 2.79Å
14	M	84.3	Confident	75	Confident	110 Å²	110	104.8 Å²	104.8	54%	0.542	57%	0.568	S	S	.	*	H	α-helix	trans	-63.2	-40.9	175.3	-70.8	-179.7	87.3	0	0	111.9	L10 L16 A17 L18	L10-M14 HydrophobicContact CD1-CG 4.25Å; L10-M14 HydrophobicContact CD1-SD 4.38Å; L10-M14 HydrophobicContact CG-CG 4.36Å; L10-M14 HydrophobicContact CG-SD 4.05Å; L10-M14 WeakPolarHBondContact O-CG 3.44Å; L10-M14 PolarHBondContact O-N 3.27Å; M14-L16 PolarHBondContact O-N 3.33Å; M14-A17 PolarHBondContact O-N 3.39Å; M14-L18 WeakPolarHBondContact O-CB 3.41Å; M14-L18 VanDerWaalsContact O-CG 3.31Å; M14-L18 WeakPolarHBondContact O-CG 3.33Å; M14-L18 PolarHBondContact O-N 3.13Å
15	K	78.7	Confident	77.3	Confident	157 Å²	157	102.6 Å²	102.6	68%	0.683	55%	0.548	S	S	*	.	H	α-helix	trans	-62.4	-42.3	176.4	-174	177	-179.5	179	0	111.8	G11 Y12 H19	G11-K15 WeakPolarHBondContact O-CB 3.2Å; G11-K15 PolarHBondContact O-N 3.21Å; Y12-K15 PolarHBondContact O-N 3.08Å; K15-H19 VanDerWaalsContact O-CB 3.29Å; K15-H19 WeakPolarHBondContact O-CB 3.41Å; K15-H19 PolarHBondContact O-N 3.17Å
16	L	78.5	Confident	79.3	Confident	81 Å²	81	98.9 Å²	98.9	42%	0.424	53%	0.534	S	S	.	.	H	α-helix	trans	-62.5	-47.9	174.6	-73.7	-177	0	0	0	111.6	Y12 C13 M14 L18 H19 E20	Y12-L16 HydrophobicContact CD1-CD1 3.9Å; Y12-L16 HydrophobicContact CD1-CG 4.3Å; Y12-L16 HydrophobicContact CE1-CD1 3.21Å; Y12-L16 HydrophobicContact CE1-CG 3.87Å; Y12-L16 PolarHBondContact O-N 2.92Å; C13-L16 PolarHBondContact O-N 3.1Å; M14-L16 PolarHBondContact O-N 3.33Å; L16-L18 VanDerWaalsContact C-N 3.35Å; L16-L18 PolarHBondContact O-N 3.19Å; L16-H19 PolarHBondContact O-N 3.07Å; L16-E20 WeakPolarHBondContact O-CB 3.24Å; L16-E20 PolarHBondContact O-N 2.67Å
17	A	86.3	Confident	80.9	Confident	49 Å²	49	97.6 Å²	97.6	41%	0.405	52%	0.518	S	S	.	.	H	α-helix	trans	-61.8	-41.5	179.2	0	0	0	0	0	112.3	C13 M14 T21	C13-A17 WeakPolarHBondContact O-CB 3.42Å; C13-A17 PolarHBondContact O-N 2.79Å; M14-A17 PolarHBondContact O-N 3.39Å; A17-T21 WeakPolarHBondContact O-CB 3.39Å; A17-T21 PolarHBondContact O-N 2.73Å; A17-T21 PolarHBondContact O-OG1 2.93Å
18	L	89.5	Confident	82.3	Confident	110 Å²	110	95 Å²	95	58%	0.576	50%	0.498	S	S	*	.	H	α-helix	trans	-64.5	-44.9	174.8	-75.7	171.8	0	0	0	111.7	M14 L16 E20 T21 L22	M14-L18 WeakPolarHBondContact O-CB 3.41Å; M14-L18 VanDerWaalsContact O-CG 3.31Å; M14-L18 WeakPolarHBondContact O-CG 3.33Å; M14-L18 PolarHBondContact O-N 3.13Å; L16-L18 VanDerWaalsContact C-N 3.35Å; L16-L18 PolarHBondContact O-N 3.19Å; L18-E20 PolarHBondContact O-N 3.23Å; L18-T21 PolarHBondContact O-N 2.92Å; L18-L22 WeakPolarHBondContact O-CB 3.35Å; L18-L22 WeakPolarHBondContact O-CG 3.32Å; L18-L22 PolarHBondContact O-N 2.79Å
19	H	82.2	Confident	83.7	Confident	133 Å²	133	93 Å²	93	62%	0.616	49%	0.493	S	S	*	.	H	α-helix	trans	-61.4	-44.8	178	-178.6	-86.8	0	0	0	111.5	K15 L16 L22 H23	K15-H19 VanDerWaalsContact O-CB 3.29Å; K15-H19 WeakPolarHBondContact O-CB 3.41Å; K15-H19 PolarHBondContact O-N 3.17Å; L16-H19 PolarHBondContact O-N 3.07Å; H19-L22 PolarHBondContact O-N 3.44Å; H19-H23 VanDerWaalsContact O-CB 3.25Å; H19-H23 WeakPolarHBondContact O-CB 3.02Å; H19-H23 PolarHBondContact O-N 3.39Å
20	E	82.8	Confident	84.3	Confident	123 Å²	123	95 Å²	95	58%	0.575	49%	0.492	S	S	*	.	H	α-helix	trans	-63.7	-42.1	176.1	-173.8	172.1	-173.2	0	0	111.8	L16 L18 H23 N24	L16-E20 WeakPolarHBondContact O-CB 3.24Å; L16-E20 PolarHBondContact O-N 2.67Å; L18-E20 PolarHBondContact O-N 3.23Å; E20-H23 PolarHBondContact O-N 3.23Å; E20-N24 WeakPolarHBondContact O-CB 3.44Å; E20-N24 PolarHBondContact O-N 2.95Å; E20-N24 PolarHBondContact O-ND2 3.27Å
21	T	90.4	Very high	84.9	Confident	76 Å²	76	89 Å²	89	47%	0.466	46%	0.461	S	S	.	.	H	α-helix	trans	-63.5	-48.3	177	-57.8	0	0	0	0	111.6	A17 L18 H23 N24 I25	A17-T21 WeakPolarHBondContact O-CB 3.39Å; A17-T21 PolarHBondContact O-N 2.73Å; A17-T21 PolarHBondContact O-OG1 2.93Å; L18-T21 PolarHBondContact O-N 2.92Å; T21-H23 VanDerWaalsContact C-N 3.34Å; T21-H23 PolarHBondContact O-N 2.93Å; T21-N24 PolarHBondContact O-N 3.43Å; T21-I25 HydrophobicContact CG2-CD1 3.94Å; T21-I25 VanDerWaalsContact O-CG1 3.32Å; T21-I25 WeakPolarHBondContact O-CG1 3.16Å; T21-I25 PolarHBondContact O-N 2.73Å
22	L	90.7	Very high	85.4	Confident	104 Å²	104	90.5 Å²	90.5	55%	0.545	46%	0.461	S	S	.	.	H	α-helix	trans	-62.1	-42.1	177.3	-73.6	174.1	0	0	0	111.6	L18 H19 N24 I25 N26	L18-L22 WeakPolarHBondContact O-CB 3.35Å; L18-L22 WeakPolarHBondContact O-CG 3.32Å; L18-L22 PolarHBondContact O-N 2.79Å; H19-L22 PolarHBondContact O-N 3.44Å; L22-N24 PolarHBondContact O-N 3.42Å; L22-I25 PolarHBondContact O-N 3.03Å; L22-N26 WeakPolarHBondContact O-CB 3.33Å; L22-N26 VanDerWaalsContact O-CG 3.31Å; L22-N26 PolarHBondContact O-N 3.18Å; L22-N26 PolarHBondContact O-ND2 3.43Å
23	H	82.4	Confident	86.2	Confident	91 Å²	91	88.2 Å²	88.2	42%	0.421	46%	0.458	S	S	.	.	H	α-helix	trans	-58.4	-48.7	174.3	178.5	-90.5	0	0	0	111	H19 E20 T21 I25 N26 Q27	H19-H23 VanDerWaalsContact O-CB 3.25Å; H19-H23 WeakPolarHBondContact O-CB 3.02Å; H19-H23 PolarHBondContact O-N 3.39Å; E20-H23 PolarHBondContact O-N 3.23Å; T21-H23 VanDerWaalsContact C-N 3.34Å; T21-H23 PolarHBondContact O-N 2.93Å; H23-I25 PolarHBondContact O-N 3.22Å; H23-N26 PolarHBondContact O-N 3.34Å; H23-Q27 PolarHBondContact NE2-NE2 3.19Å; H23-Q27 VanDerWaalsContact O-CG 3.28Å; H23-Q27 WeakPolarHBondContact O-CG 3.36Å; H23-Q27 PolarHBondContact O-N 2.99Å
24	N	83.8	Confident	87	Confident	76 Å²	76	87.8 Å²	87.8	41%	0.406	45%	0.448	S	S	.	.	H	α-helix	trans	-63.1	-39.5	179.1	-70.8	-24	0	0	0	112.7	E20 T21 L22 Q27 N28	E20-N24 WeakPolarHBondContact O-CB 3.44Å; E20-N24 PolarHBondContact O-N 2.95Å; E20-N24 PolarHBondContact O-ND2 3.27Å; T21-N24 PolarHBondContact O-N 3.43Å; L22-N24 PolarHBondContact O-N 3.42Å; N24-Q27 PolarHBondContact O-N 3.07Å; N24-N28 WeakPolarHBondContact O-CB 3.48Å; N24-N28 PolarHBondContact O-N 3.26Å; N24-N28 PolarHBondContact O-ND2 3.04Å
25	I	90.1	Very high	87.3	Confident	81 Å²	81	83.7 Å²	83.7	42%	0.415	43%	0.428	S	S	.	.	H	α-helix	trans	-62.1	-47.9	174.7	-70.1	167	0	0	0	110.4	T21 L22 H23 Q27 N28 I29	T21-I25 HydrophobicContact CG2-CD1 3.94Å; T21-I25 VanDerWaalsContact O-CG1 3.32Å; T21-I25 WeakPolarHBondContact O-CG1 3.16Å; T21-I25 PolarHBondContact O-N 2.73Å; L22-I25 PolarHBondContact O-N 3.03Å; H23-I25 PolarHBondContact O-N 3.22Å; I25-Q27 VanDerWaalsContact C-N 3.35Å; I25-Q27 PolarHBondContact O-N 3.01Å; I25-N28 WeakPolarHBondContact O-CB 3.16Å; I25-N28 PolarHBondContact O-N 3.42Å; I25-N28 VanDerWaalsContact O-N 3.14Å; I25-I29 HydrophobicContact CG2-CD1 3.74Å; I25-I29 HydrophobicContact CG2-CG1 4.37Å; I25-I29 WeakPolarHBondContact O-CG1 3.39Å; I25-I29 PolarHBondContact O-N 3.25Å
26	N	89.2	Confident	87.8	Confident	100 Å²	100	80 Å²	80	54%	0.535	42%	0.422	S	S	.	.	H	α-helix	trans	-61.8	-42.4	179.7	-74.1	-24.8	0	0	0	112	L22 H23 N28 I29 F30	L22-N26 WeakPolarHBondContact O-CB 3.33Å; L22-N26 VanDerWaalsContact O-CG 3.31Å; L22-N26 PolarHBondContact O-N 3.18Å; L22-N26 PolarHBondContact O-ND2 3.43Å; H23-N26 PolarHBondContact O-N 3.34Å; N26-N28 VanDerWaalsContact C-N 3.32Å; N26-N28 PolarHBondContact O-N 2.73Å; N26-I29 PolarHBondContact O-N 2.76Å; N26-F30 WeakPolarHBondContact O-CB 3.49Å; N26-F30 PolarHBondContact O-N 3.48Å
27	Q	84.8	Confident	88.3	Confident	83 Å²	83	85.8 Å²	85.8	39%	0.388	44%	0.438	S	S	.	.	H	α-helix	trans	-60.1	-42.5	174.2	-69.1	-65.3	-21.1	0	0	111.4	H23 N24 I25 F30 L31	H23-Q27 PolarHBondContact NE2-NE2 3.19Å; H23-Q27 VanDerWaalsContact O-CG 3.28Å; H23-Q27 WeakPolarHBondContact O-CG 3.36Å; H23-Q27 PolarHBondContact O-N 2.99Å; N24-Q27 PolarHBondContact O-N 3.07Å; I25-Q27 VanDerWaalsContact C-N 3.35Å; I25-Q27 PolarHBondContact O-N 3.01Å; Q27-F30 PolarHBondContact O-N 3.06Å; Q27-L31 WeakPolarHBondContact O-CB 3.48Å; Q27-L31 VanDerWaalsContact O-CD1 3.31Å; Q27-L31 WeakPolarHBondContact O-CD1 3.4Å; Q27-L31 VanDerWaalsContact O-CG 3.22Å; Q27-L31 WeakPolarHBondContact O-CG 3.45Å; Q27-L31 PolarHBondContact O-N 2.91Å
28	N	87.4	Confident	88.5	Confident	68 Å²	68	83.6 Å²	83.6	36%	0.364	42%	0.42	S	S	.	.	H	α-helix	trans	-66.1	-41.3	178	-70.7	-22.2	0	0	0	112.9	N24 I25 N26 L31 T32 R106	N24-N28 WeakPolarHBondContact O-CB 3.48Å; N24-N28 PolarHBondContact O-N 3.26Å; N24-N28 PolarHBondContact O-ND2 3.04Å; I25-N28 WeakPolarHBondContact O-CB 3.16Å; I25-N28 PolarHBondContact O-N 3.42Å; I25-N28 VanDerWaalsContact O-N 3.14Å; N26-N28 VanDerWaalsContact C-N 3.32Å; N26-N28 PolarHBondContact O-N 2.73Å; N28-L31 PolarHBondContact O-N 3.07Å; N28-T32 VanDerWaalsContact O-CB 3.31Å; N28-T32 WeakPolarHBondContact O-CB 3.36Å; N28-T32 PolarHBondContact O-N 2.67Å; N28-T32 PolarHBondContact O-OG1 3.46Å; N28-R106 PolarHBondContact OD1-NH2 3.46Å
29	I	91.3	Very high	88.5	Confident	96 Å²	96	80.2 Å²	80.2	49%	0.492	41%	0.405	S	S	.	.	H	α-helix	trans	-62.3	-46.5	175.5	-68.1	167.8	0	0	0	110.1	I25 N26 L31 T32 T33	I25-I29 HydrophobicContact CG2-CD1 3.74Å; I25-I29 HydrophobicContact CG2-CG1 4.37Å; I25-I29 WeakPolarHBondContact O-CG1 3.39Å; I25-I29 PolarHBondContact O-N 3.25Å; N26-I29 PolarHBondContact O-N 2.76Å; I29-L31 PolarHBondContact O-N 2.82Å; I29-T32 PolarHBondContact O-N 3.3Å; I29-T33 WeakPolarHBondContact O-CB 3.44Å; I29-T33 PolarHBondContact O-N 3.25Å; I29-T33 PolarHBondContact O-OG1 2.91Å
30	F	90.6	Very high	88.9	Confident	117 Å²	117	75.9 Å²	75.9	51%	0.513	38%	0.384	S	S	.	.	H	α-helix	trans	-57.8	-49.9	178	175.9	-100.2	0	0	0	111.5	N26 Q27 T32 T33 R34	N26-F30 WeakPolarHBondContact O-CB 3.49Å; N26-F30 PolarHBondContact O-N 3.48Å; Q27-F30 PolarHBondContact O-N 3.06Å; F30-T32 PolarHBondContact O-N 3.46Å; F30-T33 PolarHBondContact O-N 2.97Å; F30-R34 WeakPolarHBondContact O-CB 3.47Å; F30-R34 PolarHBondContact O-N 2.8Å
31	L	90.1	Very high	89.3	Confident	4 Å²	4	75.7 Å²	75.7	2%	0.021	38%	0.383	C	S	.	.	H	α-helix	trans	-67.1	-37.6	-179.5	-69.1	161.2	0	0	0	113.1	Q27 N28 I29 T33 R34 L35 L105 R106	Q27-L31 WeakPolarHBondContact O-CB 3.48Å; Q27-L31 VanDerWaalsContact O-CD1 3.31Å; Q27-L31 WeakPolarHBondContact O-CD1 3.4Å; Q27-L31 VanDerWaalsContact O-CG 3.22Å; Q27-L31 WeakPolarHBondContact O-CG 3.45Å; Q27-L31 PolarHBondContact O-N 2.91Å; N28-L31 PolarHBondContact O-N 3.07Å; I29-L31 PolarHBondContact O-N 2.82Å; L31-T33 VanDerWaalsContact C-N 3.33Å; L31-R34 PolarHBondContact O-N 2.86Å; L31-L35 VanDerWaalsContact O-CB 3.32Å; L31-L35 WeakPolarHBondContact O-CB 3.4Å; L31-L35 PolarHBondContact O-N 3.42Å; L31-L105 HydrophobicContact CD2-CB 4.47Å; L31-R106 HydrophobicContact CD1-CG 3.23Å; L31-R106 HydrophobicContact CD2-CG 3.75Å; L31-R106 HydrophobicContact CG-CG 4.12Å
32	T	90.1	Very high	89.4	Confident	80 Å²	80	74.9 Å²	74.9	49%	0.491	38%	0.376	S	S	.	.	H	α-helix	trans	-65.8	-39.9	176.4	-56.3	0	0	0	0	110.7	N28 I29 F30 L35 S36	N28-T32 VanDerWaalsContact O-CB 3.31Å; N28-T32 WeakPolarHBondContact O-CB 3.36Å; N28-T32 PolarHBondContact O-N 2.67Å; N28-T32 PolarHBondContact O-OG1 3.46Å; I29-T32 PolarHBondContact O-N 3.3Å; F30-T32 PolarHBondContact O-N 3.46Å; T32-L35 PolarHBondContact O-N 3.09Å; T32-S36 PolarHBondContact O-N 3.38Å
33	T	91.7	Very high	89.5	Confident	55 Å²	55	69.9 Å²	69.9	34%	0.337	35%	0.35	S	S	.	.	H	α-helix	trans	-66.6	-39.2	174.2	-55.5	0	0	0	0	111.6	I29 F30 L31 S36 R37	I29-T33 WeakPolarHBondContact O-CB 3.44Å; I29-T33 PolarHBondContact O-N 3.25Å; I29-T33 PolarHBondContact O-OG1 2.91Å; F30-T33 PolarHBondContact O-N 2.97Å; L31-T33 VanDerWaalsContact C-N 3.33Å; T33-S36 PolarHBondContact O-OG 2.75Å; T33-R37 WeakPolarHBondContact O-CG 3.41Å; T33-R37 PolarHBondContact O-N 2.8Å
34	R	91.5	Very high	90	Very high	49 Å²	49	66.9 Å²	66.9	19%	0.185	34%	0.338	C	S	.	.	H	α-helix	trans	-65.4	-43	174.8	-174.6	179.3	177.2	-161.6	2.7	111.4	F30 L31 S36 R37 T38 L105 D109	F30-R34 WeakPolarHBondContact O-CB 3.47Å; F30-R34 PolarHBondContact O-N 2.8Å; L31-R34 PolarHBondContact O-N 2.86Å; R34-S36 PolarHBondContact O-N 3.29Å; R34-R37 PolarHBondContact O-N 3.43Å; R34-T38 PolarHBondContact O-N 2.82Å; R34-T38 PolarHBondContact O-OG1 2.6Å; R34-L105 PolarHBondContact NH1-O 3.48Å; R34-D109 IonicContact CZ-OD1 3.42Å; R34-D109 IonicContact CZ-OD2 3.92Å; R34-D109 IonicContact NH1-OD1 2.6Å; R34-D109 PolarHBondContact NH1-OD1 3.2Å; R34-D109 IonicContact NH1-OD2 2.78Å; R34-D109 PolarHBondContact NH1-OD2 3.18Å; R34-D109 IonicContact NH2-OD1 3.75Å
35	L	90.5	Very high	90.5	Very high	24 Å²	24	69.1 Å²	69.1	13%	0.126	35%	0.346	C	S	.	.	H	α-helix	trans	-58.5	-46.8	177.2	179.2	70.7	0	0	0	111.4	L31 T32 R37 T38 R79 L101 I102 L105	L31-L35 VanDerWaalsContact O-CB 3.32Å; L31-L35 WeakPolarHBondContact O-CB 3.4Å; L31-L35 PolarHBondContact O-N 3.42Å; T32-L35 PolarHBondContact O-N 3.09Å; L35-R37 PolarHBondContact O-N 2.99Å; L35-T38 PolarHBondContact O-N 3.09Å; L35-R79 WeakPolarHBondContact O-CD 3.28Å; L35-R79 PolarHBondContact O-NE 3.12Å; L35-L101 HydrophobicContact CD1-CB 4.02Å; L35-L101 HydrophobicContact CD1-CD2 3.35Å; L35-L101 HydrophobicContact CD1-CG 3.41Å; L35-L101 VanDerWaalsContact CD1-CG 3.41Å; L35-I102 HydrophobicContact CD1-CG1 4.49Å; L35-I102 HydrophobicContact CD2-CD1 3.88Å; L35-I102 HydrophobicContact CD2-CG1 3.66Å; L35-I102 HydrophobicContact CG-CG1 4.49Å; L35-L105 HydrophobicContact CB-CD1 4.33Å; L35-L105 HydrophobicContact CD1-CD1 4.1Å
36	S	89	Confident	90.7	Very high	80 Å²	80	65.6 Å²	65.6	56%	0.559	33%	0.328	S	S	*	.	H	α-helix	trans	-62.8	-28.8	-178.5	68.9	0	0	0	0	113	T32 T33 R34	T32-S36 PolarHBondContact O-N 3.38Å; T33-S36 PolarHBondContact O-OG 2.75Å; R34-S36 PolarHBondContact O-N 3.29Å
37	R	89.4	Confident	91	Very high	202 Å²	202	60.8 Å²	60.8	76%	0.762	30%	0.302	S	S	*	.	H	α-helix	trans	-89.9	-16.5	178.3	-65.4	176.5	178.6	174.1	-0.2	114.4	T33 R34 L35 S39	T33-R37 WeakPolarHBondContact O-CG 3.41Å; T33-R37 PolarHBondContact O-N 2.8Å; R34-R37 PolarHBondContact O-N 3.43Å; L35-R37 PolarHBondContact O-N 2.99Å; R37-S39 PolarHBondContact O-N 3.34Å
38	T	90.5	Very high	91.6	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.018	30%	0.296	C	S	.	.			trans	-69.1	114.7	-176.2	-66.5	0	0	0	0	109.8	R34 L35 L43 W78 R79	R34-T38 PolarHBondContact O-N 2.82Å; R34-T38 PolarHBondContact O-OG1 2.6Å; L35-T38 PolarHBondContact O-N 3.09Å; T38-L43 HydrophobicContact CG2-CB 4.13Å; T38-W78 HydrophobicContact CG2-CH2 4.37Å; T38-W78 WeakPolarHBondContact O-CZ2 3.29Å; T38-R79 PolarHBondContact O-NE 2.81Å; T38-R79 PolarHBondContact O-NH2 2.89Å
39	S	90.7	Very high	92	Very high	39 Å²	39	59 Å²	59	27%	0.273	30%	0.296	S	S	.	.			trans	-76.7	168.9	170.2	86.7	0	0	0	0	111.3	R37 E41 N42 L43 W78	R37-S39 PolarHBondContact O-N 3.34Å; S39-E41 VanDerWaalsContact C-N 3.31Å; S39-E41 WeakPolarHBondContact CB-OE2 3.3Å; S39-E41 PolarHBondContact OG-N 3.4Å; S39-E41 PolarHBondContact OG-OE2 3.48Å; S39-N42 PolarHBondContact OG-N 3.38Å; S39-N42 VanDerWaalsContact OG-N 3.08Å; S39-L43 PolarHBondContact O-N 2.8Å; S39-W78 VanDerWaalsContact C-CZ2 3.41Å; S39-W78 WeakPolarHBondContact O-CH2 3.46Å
40	Y	89.7	Confident	92.3	Very high	43 Å²	43	54.5 Å²	54.5	17%	0.169	27%	0.272	C	S	.	.	H	α-helix	trans	-68.4	-38.7	178	-176.2	-99.9	0	0	0	110.1	L43 V44 L69 K70 K71 C72 W78	Y40-L43 WeakPolarHBondContact O-CB 3.31Å; Y40-L43 PolarHBondContact O-N 2.78Å; Y40-L43 VanDerWaalsContact O-N 3.13Å; Y40-V44 HydrophobicContact CD1-CG2 4.1Å; Y40-V44 HydrophobicContact CE1-CG2 3.73Å; Y40-V44 WeakPolarHBondContact O-CG2 3.44Å; Y40-V44 PolarHBondContact O-N 2.96Å; Y40-L69 HydrophobicContact CD2-CD2 4.39Å; Y40-L69 HydrophobicContact CE2-CD2 3.6Å; Y40-L69 HydrophobicContact CE2-CG 4.34Å; Y40-K70 PolarHBondContact OH-O 2.81Å; Y40-K71 WeakPolarHBondContact OH-CA 3.31Å; Y40-C72 HydrophobicContact CE2-CB 4.26Å; Y40-W78 HydrophobicContact CD2-CD2 4.18Å; Y40-W78 AromaticContact CD2-CE3 3.94Å; Y40-W78 HydrophobicContact CD2-CE3 3.94Å; Y40-W78 HydrophobicContact CD2-CH2 4.47Å; Y40-W78 HydrophobicContact CD2-CZ3 4.11Å
41	E	90.6	Very high	92.5	Very high	119 Å²	119	49 Å²	49	56%	0.556	25%	0.249	S	C	*	.	H	α-helix	trans	-60.4	-48.9	176.2	-55.9	68.1	-143.3	0	0	110.4	S39 L43 V44 E45	S39-E41 VanDerWaalsContact C-N 3.31Å; S39-E41 WeakPolarHBondContact CB-OE2 3.3Å; S39-E41 PolarHBondContact OG-N 3.4Å; S39-E41 PolarHBondContact OG-OE2 3.48Å; E41-L43 VanDerWaalsContact C-N 3.28Å; E41-L43 PolarHBondContact O-N 3.31Å; E41-V44 WeakPolarHBondContact O-CB 3.32Å; E41-V44 PolarHBondContact O-N 2.85Å; E41-V44 VanDerWaalsContact O-N 3.1Å; E41-E45 WeakPolarHBondContact O-CG 3.38Å; E41-E45 PolarHBondContact O-N 2.93Å
42	N	92.5	Very high	92.8	Very high	58 Å²	58	52 Å²	52	31%	0.31	26%	0.262	S	S	.	.	H	α-helix	trans	-61	-36.6	174.7	179	73.6	0	0	0	111.9	S39 E45 V46	S39-N42 PolarHBondContact OG-N 3.38Å; S39-N42 VanDerWaalsContact OG-N 3.08Å; N42-E45 PolarHBondContact O-N 2.93Å; N42-V46 WeakPolarHBondContact O-CB 3.41Å; N42-V46 WeakPolarHBondContact O-CG2 3.31Å; N42-V46 PolarHBondContact O-N 3.22Å
43	L	93.3	Very high	93.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-41.3	174.8	178.9	57.8	0	0	0	111.8	T38 S39 Y40 E41 V46 V47 L69 W78 V84 L101 F104	T38-L43 HydrophobicContact CG2-CB 4.13Å; S39-L43 PolarHBondContact O-N 2.8Å; Y40-L43 WeakPolarHBondContact O-CB 3.31Å; Y40-L43 PolarHBondContact O-N 2.78Å; Y40-L43 VanDerWaalsContact O-N 3.13Å; E41-L43 VanDerWaalsContact C-N 3.28Å; E41-L43 PolarHBondContact O-N 3.31Å; L43-V46 PolarHBondContact O-N 3.48Å; L43-V47 HydrophobicContact CD1-CG2 4.24Å; L43-V47 VanDerWaalsContact O-CG2 3.3Å; L43-V47 WeakPolarHBondContact O-CG2 3.44Å; L43-V47 PolarHBondContact O-N 3.08Å; L43-L69 HydrophobicContact CD2-CD1 3.74Å; L43-L69 HydrophobicContact CD2-CD2 3.86Å; L43-L69 HydrophobicContact CD2-CG 4.49Å; L43-L69 HydrophobicContact CG-CD1 4.3Å; L43-L69 HydrophobicContact CG-CD2 3.88Å; L43-W78 HydrophobicContact CB-CH2 4.35Å; L43-W78 HydrophobicContact CD2-CH2 4.23Å; L43-W78 HydrophobicContact CD2-CZ3 3.59Å; L43-V84 HydrophobicContact CD1-CG2 4.48Å; L43-L101 HydrophobicContact CD1-CD1 3.46Å; L43-L101 VanDerWaalsContact CD1-CD1 3.46Å; L43-L101 HydrophobicContact CD2-CD1 3.64Å; L43-L101 HydrophobicContact CD2-CD2 4.24Å; L43-L101 HydrophobicContact CG-CD1 4.19Å; L43-F104 HydrophobicContact CD1-CD1 3.96Å; L43-F104 HydrophobicContact CD1-CE1 3.87Å
44	V	92.9	Very high	93.3	Very high	28 Å²	28	46 Å²	46	17%	0.17	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-46.2	174.8	168	0	0	0	0	111	Y40 E41 V47 S48 L69 F259	Y40-V44 HydrophobicContact CD1-CG2 4.1Å; Y40-V44 HydrophobicContact CE1-CG2 3.73Å; Y40-V44 WeakPolarHBondContact O-CG2 3.44Å; Y40-V44 PolarHBondContact O-N 2.96Å; E41-V44 WeakPolarHBondContact O-CB 3.32Å; E41-V44 PolarHBondContact O-N 2.85Å; E41-V44 VanDerWaalsContact O-N 3.1Å; V44-V47 PolarHBondContact O-N 3.29Å; V44-S48 WeakPolarHBondContact O-CB 3.49Å; V44-S48 PolarHBondContact O-N 3.26Å; V44-L69 HydrophobicContact CG2-CD2 3.87Å; V44-F259 HydrophobicContact CB-CE1 4.29Å; V44-F259 HydrophobicContact CB-CE2 4.43Å; V44-F259 HydrophobicContact CB-CZ 3.95Å; V44-F259 HydrophobicContact CG1-CD1 3.91Å; V44-F259 HydrophobicContact CG1-CD2 4.27Å; V44-F259 HydrophobicContact CG1-CE1 3.3Å; V44-F259 HydrophobicContact CG1-CE2 3.83Å; V44-F259 HydrophobicContact CG1-CG 4.35Å; V44-F259 HydrophobicContact CG1-CZ 3.35Å; V44-F259 HydrophobicContact CG2-CE1 4.03Å; V44-F259 HydrophobicContact CG2-CE2 4.27Å; V44-F259 HydrophobicContact CG2-CZ 3.51Å
45	E	94.5	Very high	93.4	Very high	123 Å²	123	47.8 Å²	47.8	58%	0.575	24%	0.238	S	C	*	.	H	α-helix	trans	-60	-47.4	177.1	-72.6	172.9	-170.3	0	0	111.9	E41 N42 V47 S48 Q49	E41-E45 WeakPolarHBondContact O-CG 3.38Å; E41-E45 PolarHBondContact O-N 2.93Å; N42-E45 PolarHBondContact O-N 2.93Å; E45-V47 PolarHBondContact O-N 2.67Å; E45-S48 WeakPolarHBondContact O-CB 3.34Å; E45-S48 PolarHBondContact O-N 3.38Å; E45-Q49 WeakPolarHBondContact O-CB 3.32Å; E45-Q49 PolarHBondContact O-N 3.33Å
46	V	94.8	Very high	93.5	Very high	6 Å²	6	50.4 Å²	50.4	4%	0.036	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-41.3	178.1	167.5	0	0	0	0	111.6	N42 L43 L50 F104 Y108	N42-V46 WeakPolarHBondContact O-CB 3.41Å; N42-V46 WeakPolarHBondContact O-CG2 3.31Å; N42-V46 PolarHBondContact O-N 3.22Å; L43-V46 PolarHBondContact O-N 3.48Å; V46-L50 PolarHBondContact O-N 3.49Å; V46-L50 VanDerWaalsContact O-N 3.09Å; V46-F104 HydrophobicContact CG1-CE1 3.71Å; V46-F104 HydrophobicContact CG1-CZ 4.26Å; V46-Y108 HydrophobicContact CB-CD2 4.46Å; V46-Y108 HydrophobicContact CB-CE2 4.33Å; V46-Y108 HydrophobicContact CG1-CD1 4.33Å; V46-Y108 HydrophobicContact CG1-CD2 3.33Å; V46-Y108 HydrophobicContact CG1-CE2 3.63Å; V46-Y108 HydrophobicContact CG1-CG 3.7Å; V46-Y108 HydrophobicContact CG2-CE2 4.37Å
47	V	96.2	Very high	93.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-45	175	170.3	0	0	0	0	111.2	L43 V44 E45 L50 N51 F67 V84 F104	L43-V47 HydrophobicContact CD1-CG2 4.24Å; L43-V47 VanDerWaalsContact O-CG2 3.3Å; L43-V47 WeakPolarHBondContact O-CG2 3.44Å; L43-V47 PolarHBondContact O-N 3.08Å; V44-V47 PolarHBondContact O-N 3.29Å; E45-V47 PolarHBondContact O-N 2.67Å; V47-L50 PolarHBondContact O-N 2.86Å; V47-N51 PolarHBondContact O-N 2.81Å; V47-F67 HydrophobicContact CG1-CB 3.97Å; V47-V84 HydrophobicContact CG2-CG1 4.22Å; V47-V84 HydrophobicContact CG2-CG2 4.17Å; V47-F104 HydrophobicContact CB-CZ 4.36Å; V47-F104 HydrophobicContact CG2-CE1 3.69Å; V47-F104 HydrophobicContact CG2-CE2 4.43Å; V47-F104 HydrophobicContact CG2-CZ 3.53Å
48	S	95.8	Very high	93.8	Very high	36 Å²	36	37.9 Å²	37.9	25%	0.252	20%	0.197	S	C	.	.	H	α-helix	trans	-61.3	-45	177.2	-174.1	0	0	0	0	111.4	V44 E45 L50 N51 Q52	V44-S48 WeakPolarHBondContact O-CB 3.49Å; V44-S48 PolarHBondContact O-N 3.26Å; E45-S48 WeakPolarHBondContact O-CB 3.34Å; E45-S48 PolarHBondContact O-N 3.38Å; S48-L50 PolarHBondContact O-N 2.83Å; S48-N51 WeakPolarHBondContact O-CB 3.34Å; S48-N51 PolarHBondContact O-N 3.17Å; S48-Q52 WeakPolarHBondContact O-CG 3.31Å; S48-Q52 PolarHBondContact O-N 2.84Å
49	Q	96.9	Very high	93.6	Very high	78 Å²	78	38.7 Å²	38.7	36%	0.364	21%	0.206	S	C	.	.	H	α-helix	trans	-60.4	-43	178.1	-173.6	179.8	11.4	0	0	112	E45 N51 Q52 L53 Y108	E45-Q49 WeakPolarHBondContact O-CB 3.32Å; E45-Q49 PolarHBondContact O-N 3.33Å; Q49-N51 PolarHBondContact O-N 2.94Å; Q49-Q52 PolarHBondContact O-N 2.6Å; Q49-L53 HydrophobicContact CG-CD1 4.28Å; Q49-L53 HydrophobicContact CG-CG 4.47Å; Q49-L53 VanDerWaalsContact O-CG 3.31Å; Q49-L53 WeakPolarHBondContact O-CG 3.48Å; Q49-L53 PolarHBondContact O-N 2.85Å; Q49-Y108 PolarHBondContact OE1-OH 3.3Å
50	L	96.3	Very high	93.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-41.6	176	-74.7	-174.3	0	0	0	112.8	V46 V47 S48 Q52 L53 C54 F67 F104 Y108 I111	V46-L50 PolarHBondContact O-N 3.49Å; V46-L50 VanDerWaalsContact O-N 3.09Å; V47-L50 PolarHBondContact O-N 2.86Å; S48-L50 PolarHBondContact O-N 2.83Å; L50-Q52 VanDerWaalsContact C-N 3.3Å; L50-Q52 PolarHBondContact O-N 2.9Å; L50-L53 HydrophobicContact CD2-CD1 4.37Å; L50-L53 PolarHBondContact O-N 3.17Å; L50-C54 PolarHBondContact O-N 3.37Å; L50-C54 PolarHBondContact O-SG 3.03Å; L50-F67 HydrophobicContact CB-CD2 4.09Å; L50-F67 HydrophobicContact CB-CE2 4.26Å; L50-F67 HydrophobicContact CD1-CE2 4.46Å; L50-F104 HydrophobicContact CD1-CE2 3.51Å; L50-F104 HydrophobicContact CD1-CZ 3.52Å; L50-Y108 HydrophobicContact CD1-CD2 3.99Å; L50-Y108 HydrophobicContact CD2-CD2 3.59Å; L50-Y108 HydrophobicContact CD2-CE2 4.19Å; L50-Y108 HydrophobicContact CG-CD2 3.64Å; L50-Y108 HydrophobicContact CG-CE2 4.31Å; L50-I111 HydrophobicContact CD1-CD1 4.33Å; L50-I111 HydrophobicContact CD2-CB 3.96Å; L50-I111 HydrophobicContact CD2-CD1 3.89Å; L50-I111 HydrophobicContact CD2-CG2 3.73Å
51	N	96.4	Very high	93.4	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-58.7	-45.6	174.7	-75.2	-23.7	0	0	0	110.7	V47 S48 Q49 L53 C54 I55 F67 S258	V47-N51 PolarHBondContact O-N 2.81Å; S48-N51 WeakPolarHBondContact O-CB 3.34Å; S48-N51 PolarHBondContact O-N 3.17Å; Q49-N51 PolarHBondContact O-N 2.94Å; N51-L53 PolarHBondContact O-N 2.92Å; N51-C54 WeakPolarHBondContact O-CB 3.45Å; N51-C54 PolarHBondContact O-N 2.99Å; N51-I55 WeakPolarHBondContact O-CG1 3.38Å; N51-I55 PolarHBondContact O-N 3.47Å; N51-F67 PolarHBondContact ND2-O 3.15Å; N51-F67 WeakPolarHBondContact OD1-CB 3.23Å; N51-F67 WeakPolarHBondContact OD1-CD2 3.46Å; N51-F67 PolarHBondContact OD1-N 2.93Å; N51-S258 PolarHBondContact ND2-O 3.47Å
52	Q	96	Very high	93.5	Very high	65 Å²	65	39.6 Å²	39.6	30%	0.304	21%	0.208	S	C	.	.	H	α-helix	trans	-62.8	-42.6	176.9	-69.6	-58.9	-30.5	0	0	112.4	S48 Q49 L50 C54 I55 T56	S48-Q52 WeakPolarHBondContact O-CG 3.31Å; S48-Q52 PolarHBondContact O-N 2.84Å; Q49-Q52 PolarHBondContact O-N 2.6Å; L50-Q52 VanDerWaalsContact C-N 3.3Å; L50-Q52 PolarHBondContact O-N 2.9Å; Q52-C54 VanDerWaalsContact C-N 3.34Å; Q52-C54 PolarHBondContact O-N 3.39Å; Q52-I55 PolarHBondContact O-N 2.9Å; Q52-T56 WeakPolarHBondContact O-CB 3.29Å; Q52-T56 WeakPolarHBondContact O-CG2 3.47Å; Q52-T56 PolarHBondContact O-N 3.41Å; Q52-T56 PolarHBondContact O-OG1 3.39Å
53	L	96	Very high	93.4	Very high	10 Å²	10	40 Å²	40	5%	0.052	22%	0.215	C	C	.	.	H	α-helix	trans	-64	-38.7	176.8	-70.2	175.1	0	0	0	112.3	Q49 L50 N51 I55 T57 F58 I111 I112 K115	Q49-L53 HydrophobicContact CG-CD1 4.28Å; Q49-L53 HydrophobicContact CG-CG 4.47Å; Q49-L53 VanDerWaalsContact O-CG 3.31Å; Q49-L53 WeakPolarHBondContact O-CG 3.48Å; Q49-L53 PolarHBondContact O-N 2.85Å; L50-L53 HydrophobicContact CD2-CD1 4.37Å; L50-L53 PolarHBondContact O-N 3.17Å; N51-L53 PolarHBondContact O-N 2.92Å; L53-I55 VanDerWaalsContact C-N 3.27Å; L53-I55 PolarHBondContact O-N 2.96Å; L53-T57 VanDerWaalsContact CD2-OG1 3.31Å; L53-T57 WeakPolarHBondContact CD2-OG1 3.49Å; L53-T57 WeakPolarHBondContact O-CA 3.49Å; L53-T57 WeakPolarHBondContact O-CB 3.47Å; L53-T57 PolarHBondContact O-N 2.96Å; L53-F58 HydrophobicContact CB-CD2 4.34Å; L53-F58 HydrophobicContact CB-CE2 4.05Å; L53-F58 VanDerWaalsContact O-CD2 3.31Å; L53-F58 WeakPolarHBondContact O-CD2 3.37Å; L53-F58 PolarHBondContact O-N 3.41Å; L53-I111 HydrophobicContact CD1-CG2 4.45Å; L53-I112 HydrophobicContact CD1-CD1 3.65Å; L53-K115 HydrophobicContact CD1-CD 4.32Å; L53-K115 HydrophobicContact CD2-CD 3.55Å; L53-K115 VanDerWaalsContact CD2-CE 3.45Å; L53-K115 HydrophobicContact CD2-CG 4.04Å
54	C	95.5	Very high	93.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.6	-40.7	176.6	-71.3	0	0	0	0	111.7	L50 N51 Q52 G59 C62 V65	L50-C54 PolarHBondContact O-N 3.37Å; L50-C54 PolarHBondContact O-SG 3.03Å; N51-C54 WeakPolarHBondContact O-CB 3.45Å; N51-C54 PolarHBondContact O-N 2.99Å; Q52-C54 VanDerWaalsContact C-N 3.34Å; Q52-C54 PolarHBondContact O-N 3.39Å; C54-G59 PolarHBondContact O-N 2.92Å; C54-C62 HydrophobicContact CB-CB 3.93Å; C54-C62 CarbonylContact O-C 3.47Å; C54-C62 WeakPolarHBondContact O-CB 3.31Å; C54-V65 HydrophobicContact CB-CB 4.49Å
55	I	93.3	Very high	93.5	Very high	87 Å²	87	41.4 Å²	41.4	45%	0.446	22%	0.221	S	C	.	.	H	α-helix	trans	-79.3	-52.1	179.9	-61.4	166.3	0	0	0	110.9	N51 Q52 L53 G59	N51-I55 WeakPolarHBondContact O-CG1 3.38Å; N51-I55 PolarHBondContact O-N 3.47Å; Q52-I55 PolarHBondContact O-N 2.9Å; L53-I55 VanDerWaalsContact C-N 3.27Å; L53-I55 PolarHBondContact O-N 2.96Å; I55-G59 WeakPolarHBondContact O-CA 3.5Å
56	T	93.3	Very high	93.5	Very high	79 Å²	79	39 Å²	39	49%	0.485	21%	0.209	S	C	.	.	H	α-helix	trans	-84.3	-43.4	-167.7	60.2	0	0	0	0	113.5	Q52 R222	Q52-T56 WeakPolarHBondContact O-CB 3.29Å; Q52-T56 WeakPolarHBondContact O-CG2 3.47Å; Q52-T56 PolarHBondContact O-N 3.41Å; Q52-T56 PolarHBondContact O-OG1 3.39Å; T56-R222 PolarHBondContact O-NH2 3.2Å
57	T	91.7	Very high	93.6	Very high	15 Å²	15	38.8 Å²	38.8	9%	0.092	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-47.8	-172.6	-56.8	0	0	0	0	110.9	L53 K115 I118 R222	L53-T57 VanDerWaalsContact CD2-OG1 3.31Å; L53-T57 WeakPolarHBondContact CD2-OG1 3.49Å; L53-T57 WeakPolarHBondContact O-CA 3.49Å; L53-T57 WeakPolarHBondContact O-CB 3.47Å; L53-T57 PolarHBondContact O-N 2.96Å; T57-K115 HydrophobicContact CG2-CG 4.01Å; T57-I118 HydrophobicContact CG2-CD1 3.92Å; T57-R222 PolarHBondContact O-NE 3.16Å; T57-R222 PolarHBondContact O-NH2 3.01Å
58	F	92.8	Very high	93.5	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.013	21%	0.208	C	C	.	.	S	Bend	trans	-92.1	-4.6	-177.3	-55	-66	0	0	0	113.8	L53 C62 I111 F114 K115 I118 I225 S226 V229	L53-F58 HydrophobicContact CB-CD2 4.34Å; L53-F58 HydrophobicContact CB-CE2 4.05Å; L53-F58 VanDerWaalsContact O-CD2 3.31Å; L53-F58 WeakPolarHBondContact O-CD2 3.37Å; L53-F58 PolarHBondContact O-N 3.41Å; F58-C62 HydrophobicContact CB-CB 3.61Å; F58-C62 VanDerWaalsContact CB-SG 3.56Å; F58-I111 HydrophobicContact CE2-CG2 3.51Å; F58-I111 HydrophobicContact CZ-CG2 3.87Å; F58-F114 HydrophobicContact CE1-CB 4.26Å; F58-F114 HydrophobicContact CZ-CB 4.3Å; F58-K115 HydrophobicContact CZ-CB 4.44Å; F58-I118 HydrophobicContact CD1-CD1 3.8Å; F58-I118 HydrophobicContact CE1-CD1 3.56Å; F58-I225 HydrophobicContact CD1-CG2 4.48Å; F58-I225 HydrophobicContact CE1-CG2 4.05Å; F58-S226 WeakPolarHBondContact CA-OG 3.39Å; F58-S226 VanDerWaalsContact O-CB 3.28Å; F58-S226 WeakPolarHBondContact O-CB 3.48Å; F58-S226 PolarHBondContact O-OG 2.77Å; F58-S226 VanDerWaalsContact O-OG 3.12Å; F58-V229 HydrophobicContact CD1-CB 4.3Å; F58-V229 HydrophobicContact CD1-CG1 4.45Å; F58-V229 HydrophobicContact CD1-CG2 4.05Å; F58-V229 HydrophobicContact CD2-CG1 4.16Å; F58-V229 HydrophobicContact CE1-CB 4.36Å; F58-V229 HydrophobicContact CE1-CG2 3.66Å; F58-V229 HydrophobicContact CE2-CG1 4.22Å; F58-V229 HydrophobicContact CG-CG1 4.29Å; F58-V229 HydrophobicContact CZ-CG1 4.38Å; F58-V229 HydrophobicContact CZ-CG2 3.96Å
59	G	87.1	Confident	93.3	Very high	21 Å²	21	37.2 Å²	37.2	22%	0.216	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	59.3	-146.7	166.2	0	0	0	0	0	114.1	C54 I55 Q61 C62 S63	C54-G59 PolarHBondContact O-N 2.92Å; I55-G59 WeakPolarHBondContact O-CA 3.5Å; G59-Q61 PolarHBondContact O-N 3.31Å; G59-C62 PolarHBondContact O-N 3.39Å; G59-S63 PolarHBondContact O-N 2.94Å
60	E	87.2	Confident	92.7	Very high	181 Å²	181	38.3 Å²	38.3	85%	0.846	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-54.3	-29.7	-171.8	-63.9	-178.6	176.4	0	0	114.7	S63	E60-S63 PolarHBondContact O-OG 3.32Å; E60-S63 VanDerWaalsContact O-OG 3.12Å
61	Q	88.6	Confident	92	Very high	39 Å²	39	44.5 Å²	44.5	18%	0.182	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-72.5	-31.1	179.8	-74.7	-172.9	71.5	0	0	112.8	G59 Y223 L230	G59-Q61 PolarHBondContact O-N 3.31Å; Q61-Y223 HydrophobicContact CG-CD2 4.49Å; Q61-Y223 HydrophobicContact CG-CE2 4.11Å; Q61-Y223 VanDerWaalsContact NE2-CG 3.25Å; Q61-Y223 PolarHBondContact NE2-O 3.47Å; Q61-L230 WeakPolarHBondContact O-CD2 3.47Å
62	C	92.3	Very high	90.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-4.3	-178	-67.1	0	0	0	0	113.4	C54 F58 G59 I64 V65	C54-C62 HydrophobicContact CB-CB 3.93Å; C54-C62 CarbonylContact O-C 3.47Å; C54-C62 WeakPolarHBondContact O-CB 3.31Å; F58-C62 HydrophobicContact CB-CB 3.61Å; F58-C62 VanDerWaalsContact CB-SG 3.56Å; G59-C62 PolarHBondContact O-N 3.39Å; C62-I64 PolarHBondContact O-N 3.28Å; C62-V65 VanDerWaalsContact O-CB 3.29Å; C62-V65 WeakPolarHBondContact O-CB 3.48Å; C62-V65 PolarHBondContact O-N 2.91Å
63	S	90.9	Very high	89.4	Confident	66 Å²	66	50.6 Å²	50.6	46%	0.462	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-21.2	175.5	64.5	0	0	0	0	113.7	G59 E60 V65	G59-S63 PolarHBondContact O-N 2.94Å; E60-S63 PolarHBondContact O-OG 3.32Å; E60-S63 VanDerWaalsContact O-OG 3.12Å; S63-V65 VanDerWaalsContact C-N 3.28Å; S63-V65 PolarHBondContact O-N 3.06Å
64	I	92.6	Very high	88	Confident	52 Å²	52	60.1 Å²	60.1	27%	0.267	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-6.1	175.2	62.2	170	0	0	0	114.4	C62 I88 S89 K90 L230	C62-I64 PolarHBondContact O-N 3.28Å; I64-I88 HydrophobicContact CD1-CG2 3.74Å; I64-I88 HydrophobicContact CG1-CG2 4.14Å; I64-I88 WeakPolarHBondContact O-CA 3.36Å; I64-S89 VanDerWaalsContact CB-O 3.28Å; I64-S89 WeakPolarHBondContact CB-O 3.26Å; I64-S89 VanDerWaalsContact CG2-O 3.29Å; I64-S89 WeakPolarHBondContact CG2-O 3.45Å; I64-S89 PolarHBondContact O-N 2.86Å; I64-K90 HydrophobicContact CD1-CG 4.39Å; I64-L230 HydrophobicContact CD1-CD1 4.25Å; I64-L230 HydrophobicContact CG1-CD1 4.41Å
65	V	94.9	Very high	86.9	Confident	6 Å²	6	63.4 Å²	63.4	4%	0.036	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	129.5	-176.2	-177.7	0	0	0	0	109.8	C54 C62 S63 F67 R87 I88 L230 I233	C54-V65 HydrophobicContact CB-CB 4.49Å; C62-V65 VanDerWaalsContact O-CB 3.29Å; C62-V65 WeakPolarHBondContact O-CB 3.48Å; C62-V65 PolarHBondContact O-N 2.91Å; S63-V65 VanDerWaalsContact C-N 3.28Å; S63-V65 PolarHBondContact O-N 3.06Å; V65-F67 HydrophobicContact CG1-CD2 4.12Å; V65-F67 HydrophobicContact CG1-CE2 3.56Å; V65-F67 HydrophobicContact CG1-CZ 4.02Å; V65-R87 CarbonylContact C-O 3.6Å; V65-R87 WeakPolarHBondContact CA-O 3.43Å; V65-I88 HydrophobicContact CG2-CG1 4.42Å; V65-L230 HydrophobicContact CG2-CD1 3.7Å; V65-I233 HydrophobicContact CG1-CD1 4.23Å; V65-I233 HydrophobicContact CG1-CG2 4.02Å
66	K	95	Very high	86	Confident	71 Å²	71	68.1 Å²	68.1	31%	0.309	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	121.9	173.6	-174.2	173.8	-179.2	177.3	0	110.9	C86 R87	K66-C86 CarbonylContact O-C 3.56Å; K66-C86 WeakPolarHBondContact O-CA 3.39Å; K66-R87 PolarHBondContact N-O 3.07Å; K66-R87 PolarHBondContact O-N 3.03Å
67	F	96.2	Very high	85.4	Confident	3 Å²	3	71.5 Å²	71.5	1%	0.013	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	143.6	170.4	-62.5	-87.7	0	0	0	110.9	V47 L50 N51 V65 V84 F85 C86 F99 F104 L107 I233	V47-F67 HydrophobicContact CG1-CB 3.97Å; L50-F67 HydrophobicContact CB-CD2 4.09Å; L50-F67 HydrophobicContact CB-CE2 4.26Å; L50-F67 HydrophobicContact CD1-CE2 4.46Å; N51-F67 PolarHBondContact ND2-O 3.15Å; N51-F67 WeakPolarHBondContact OD1-CB 3.23Å; N51-F67 WeakPolarHBondContact OD1-CD2 3.46Å; N51-F67 PolarHBondContact OD1-N 2.93Å; V65-F67 HydrophobicContact CG1-CD2 4.12Å; V65-F67 HydrophobicContact CG1-CE2 3.56Å; V65-F67 HydrophobicContact CG1-CZ 4.02Å; F67-V84 HydrophobicContact CB-CG1 4.3Å; F67-V84 HydrophobicContact CD1-CG1 4.1Å; F67-F85 CarbonylContact C-O 3.57Å; F67-F85 VanDerWaalsContact CA-O 3.23Å; F67-F85 WeakPolarHBondContact CA-O 3.29Å; F67-C86 HydrophobicContact CD1-CB 3.71Å; F67-C86 HydrophobicContact CE1-CB 3.73Å; F67-F99 HydrophobicContact CE1-CE2 4.25Å; F67-F104 HydrophobicContact CD1-CD2 4.49Å; F67-F104 AromaticContact CD1-CE2 3.88Å; F67-F104 HydrophobicContact CD1-CE2 3.88Å; F67-F104 HydrophobicContact CE1-CE2 4.2Å; F67-F104 HydrophobicContact CG-CE2 4.42Å; F67-L107 HydrophobicContact CE1-CD2 3.94Å; F67-L107 HydrophobicContact CZ-CD2 4.03Å; F67-I233 HydrophobicContact CE1-CG2 4.46Å; F67-I233 HydrophobicContact CE2-CD1 4.36Å; F67-I233 HydrophobicContact CZ-CD1 4.15Å; F67-I233 HydrophobicContact CZ-CG1 4.23Å; F67-I233 HydrophobicContact CZ-CG2 3.87Å
68	A	94.6	Very high	85.2	Confident	2 Å²	2	72 Å²	72	2%	0.017	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	147.3	177.5	0	0	0	0	0	111	F85 F243	A68-F85 PolarHBondContact N-O 3.43Å; A68-F85 PolarHBondContact O-N 2.98Å; A68-F243 HydrophobicContact CB-CE1 4.33Å; A68-F243 HydrophobicContact CB-CE2 4.15Å; A68-F243 HydrophobicContact CB-CZ 3.61Å
69	L	92.3	Very high	84.9	Confident	1 Å²	1	75.3 Å²	75.3	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.8	176.9	-176	70.7	0	0	0	108.6	Y40 L43 V44 V84 F259	Y40-L69 HydrophobicContact CD2-CD2 4.39Å; Y40-L69 HydrophobicContact CE2-CD2 3.6Å; Y40-L69 HydrophobicContact CE2-CG 4.34Å; L43-L69 HydrophobicContact CD2-CD1 3.74Å; L43-L69 HydrophobicContact CD2-CD2 3.86Å; L43-L69 HydrophobicContact CD2-CG 4.49Å; L43-L69 HydrophobicContact CG-CD1 4.3Å; L43-L69 HydrophobicContact CG-CD2 3.88Å; V44-L69 HydrophobicContact CG2-CD2 3.87Å; L69-V84 HydrophobicContact CD1-CG2 3.97Å; L69-F259 HydrophobicContact CB-CE2 4.32Å
70	K	84.7	Confident	84.7	Confident	101 Å²	101	80.8 Å²	80.8	44%	0.439	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	141	172.8	-172.4	174.4	179.8	176.4	0	109.6	Y40 C72 F85	Y40-K70 PolarHBondContact OH-O 2.81Å; K70-C72 PolarHBondContact O-N 3.48Å; K70-F85 HydrophobicContact CB-CE2 4.15Å
71	K	79.7	Confident	84.6	Confident	130 Å²	130	75.1 Å²	75.1	57%	0.565	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-60.1	124	170.9	-151.7	176.3	-177.6	176.4	0	109.1	Y40 V261	Y40-K71 WeakPolarHBondContact OH-CA 3.31Å; K71-V261 HydrophobicContact CB-CG1 3.36Å; K71-V261 HydrophobicContact CD-CG1 3.55Å; K71-V261 HydrophobicContact CG-CG1 3.39Å
72	C	72	Confident	84.6	Confident	31 Å²	31	73.7 Å²	73.7	21%	0.209	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-85	142.6	168.4	-140.6	0	0	0	0	108.7	Y40 K70 W78	Y40-C72 HydrophobicContact CE2-CB 4.26Å; K70-C72 PolarHBondContact O-N 3.48Å; C72-W78 HydrophobicContact CB-CB 3.92Å; C72-W78 VanDerWaalsContact SG-CB 3.52Å
73	Q	67.7	Low	84.6	Confident	165 Å²	165	77.5 Å²	77.5	77%	0.771	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-63.9	153.8	162.8	-68.7	-179.4	-42	0	0	107.9	N75	Q73-N75 PolarHBondContact O-N 3.48Å; Q73-N75 PolarHBondContact O-OD1 3.44Å
74	E	65.4	Low	84.8	Confident	209 Å²	209	74.4 Å²	74.4	98%	0.977	35%	0.352	S	S	*	.	S	Bend	trans	-66.9	62.1	-175.4	-63.7	176	-179.5	0	0	112.5
75	N	72.1	Confident	84.9	Confident	69 Å²	69	73.2 Å²	73.2	37%	0.369	35%	0.345	S	S	.	.			trans	-104.4	137.8	175.9	64.6	3.4	0	0	0	110.2	Q73 F77 W78	Q73-N75 PolarHBondContact O-N 3.48Å; Q73-N75 PolarHBondContact O-OD1 3.44Å; N75-F77 PolarHBondContact O-N 3.41Å; N75-W78 VanDerWaalsContact O-CD1 3.29Å; N75-W78 PolarHBondContact O-N 2.94Å; N75-W78 WeakPolarHBondContact OD1-CA 3.22Å; N75-W78 WeakPolarHBondContact OD1-CB 3.47Å; N75-W78 PolarHBondContact OD1-N 3.34Å
76	F	75.1	Confident	84.9	Confident	187 Å²	187	73 Å²	73	82%	0.82	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.6	179.7	-74.1	-86.2	0	0	0	113.4
77	F	81.2	Confident	84.9	Confident	150 Å²	150	73.5 Å²	73.5	66%	0.658	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	15.7	-177.7	-58.1	-73.1	0	0	0	114	N75 R79 L80	N75-F77 PolarHBondContact O-N 3.41Å; F77-R79 PolarHBondContact O-N 3.06Å; F77-L80 HydrophobicContact CB-CD1 4.38Å; F77-L80 HydrophobicContact CD1-CD1 4.14Å; F77-L80 PolarHBondContact O-N 2.92Å
78	W	85.8	Confident	84.8	Confident	24 Å²	24	73.4 Å²	73.4	9%	0.091	34%	0.343	C	S	.	.	H	α-helix	trans	-52.4	-33.6	179.9	69.2	-98.7	0	0	0	112.7	T38 S39 Y40 L43 C72 N75 L80 S81 A82 L101	T38-W78 HydrophobicContact CG2-CH2 4.37Å; T38-W78 WeakPolarHBondContact O-CZ2 3.29Å; S39-W78 VanDerWaalsContact C-CZ2 3.41Å; S39-W78 WeakPolarHBondContact O-CH2 3.46Å; Y40-W78 HydrophobicContact CD2-CD2 4.18Å; Y40-W78 AromaticContact CD2-CE3 3.94Å; Y40-W78 HydrophobicContact CD2-CE3 3.94Å; Y40-W78 HydrophobicContact CD2-CH2 4.47Å; Y40-W78 HydrophobicContact CD2-CZ3 4.11Å; L43-W78 HydrophobicContact CB-CH2 4.35Å; L43-W78 HydrophobicContact CD2-CH2 4.23Å; L43-W78 HydrophobicContact CD2-CZ3 3.59Å; C72-W78 HydrophobicContact CB-CB 3.92Å; C72-W78 VanDerWaalsContact SG-CB 3.52Å; N75-W78 VanDerWaalsContact O-CD1 3.29Å; N75-W78 PolarHBondContact O-N 2.94Å; N75-W78 WeakPolarHBondContact OD1-CA 3.22Å; N75-W78 WeakPolarHBondContact OD1-CB 3.47Å; N75-W78 PolarHBondContact OD1-N 3.34Å; W78-L80 PolarHBondContact O-N 2.72Å; W78-S81 CarbonylContact O-C 3.57Å; W78-S81 PolarHBondContact O-N 2.91Å; W78-S81 PolarHBondContact O-OG 3.39Å; W78-A82 HydrophobicContact CE3-CB 3.81Å; W78-A82 HydrophobicContact CZ3-CB 4.22Å; W78-A82 WeakPolarHBondContact O-CA 3.4Å; W78-A82 WeakPolarHBondContact O-CB 3.44Å; W78-A82 PolarHBondContact O-N 3.32Å; W78-L101 HydrophobicContact CH2-CD2 4.4Å; W78-L101 HydrophobicContact CZ3-CD2 3.83Å
79	R	87	Confident	84.7	Confident	73 Å²	73	75.3 Å²	75.3	28%	0.275	36%	0.357	S	S	.	.	H	α-helix	trans	-60.8	-27.2	178.9	-65.8	179	-175.9	84.2	-1.1	114.1	L35 T38 F77 L101	L35-R79 WeakPolarHBondContact O-CD 3.28Å; L35-R79 PolarHBondContact O-NE 3.12Å; T38-R79 PolarHBondContact O-NE 2.81Å; T38-R79 PolarHBondContact O-NH2 2.89Å; F77-R79 PolarHBondContact O-N 3.06Å; R79-L101 HydrophobicContact CB-CD2 4.25Å; R79-L101 HydrophobicContact CG-CD2 4.35Å
80	L	83.3	Confident	84.3	Confident	136 Å²	136	81.1 Å²	81.1	71%	0.712	38%	0.382	S	S	*	.	H	α-helix	trans	-83.6	-18.8	178.4	-60	178.8	0	0	0	112.6	F77 W78	F77-L80 HydrophobicContact CB-CD1 4.38Å; F77-L80 HydrophobicContact CD1-CD1 4.14Å; F77-L80 PolarHBondContact O-N 2.92Å; W78-L80 PolarHBondContact O-N 2.72Å
81	S	85.2	Confident	84.2	Confident	62 Å²	62	86.5 Å²	86.5	43%	0.434	41%	0.405	S	S	.	.	H	α-helix	trans	-116.6	-15.8	-174.3	56.1	0	0	0	0	113.6	W78	W78-S81 CarbonylContact O-C 3.57Å; W78-S81 PolarHBondContact O-N 2.91Å; W78-S81 PolarHBondContact O-OG 3.39Å
82	A	89	Confident	84.2	Confident	10 Å²	10	87.7 Å²	87.7	8%	0.083	42%	0.418	C	S	.	.			trans	-69.6	131.5	179.8	0	0	0	0	0	110.9	W78	W78-A82 HydrophobicContact CE3-CB 3.81Å; W78-A82 HydrophobicContact CZ3-CB 4.22Å; W78-A82 WeakPolarHBondContact O-CA 3.4Å; W78-A82 WeakPolarHBondContact O-CB 3.44Å; W78-A82 PolarHBondContact O-N 3.32Å
83	K	91.9	Very high	84.9	Confident	80 Å²	80	96.1 Å²	96.1	35%	0.348	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.9	177	-56.3	-165.4	-174.6	-140.8	0	109.6	F85 I98 F99 E100	K83-F85 HydrophobicContact CB-CE2 4.26Å; K83-F85 HydrophobicContact CB-CZ 4.39Å; K83-I98 HydrophobicContact CB-CG2 3.93Å; K83-I98 HydrophobicContact CD-CG2 3.66Å; K83-I98 HydrophobicContact CG-CG2 4.33Å; K83-F99 WeakPolarHBondContact CA-O 3.34Å; K83-E100 WeakPolarHBondContact CE-OE1 3.28Å; K83-E100 IonicContact NZ-OE1 3.38Å; K83-E100 PolarHBondContact NZ-OE1 2.89Å
84	V	94.2	Very high	85.9	Confident	0 Å²	0	90 Å²	90	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.1	171.7	-176.6	0	0	0	0	108.4	L43 V47 F67 L69 F99 F104	L43-V84 HydrophobicContact CD1-CG2 4.48Å; V47-V84 HydrophobicContact CG2-CG1 4.22Å; V47-V84 HydrophobicContact CG2-CG2 4.17Å; F67-V84 HydrophobicContact CB-CG1 4.3Å; F67-V84 HydrophobicContact CD1-CG1 4.1Å; L69-V84 HydrophobicContact CD1-CG2 3.97Å; V84-F99 HydrophobicContact CB-CB 4.38Å; V84-F99 PolarHBondContact N-O 2.85Å; V84-F99 VanDerWaalsContact N-O 3.09Å; V84-F99 PolarHBondContact O-N 2.82Å; V84-F104 HydrophobicContact CB-CB 4.32Å; V84-F104 HydrophobicContact CB-CD1 4.49Å; V84-F104 HydrophobicContact CB-CD2 3.79Å; V84-F104 HydrophobicContact CB-CE2 4.23Å; V84-F104 HydrophobicContact CB-CG 3.93Å; V84-F104 HydrophobicContact CG1-CD2 3.67Å; V84-F104 HydrophobicContact CG1-CE2 3.63Å; V84-F104 HydrophobicContact CG1-CG 4.25Å; V84-F104 HydrophobicContact CG1-CZ 4.17Å; V84-F104 HydrophobicContact CG2-CB 4.12Å; V84-F104 HydrophobicContact CG2-CD1 3.74Å; V84-F104 HydrophobicContact CG2-CD2 3.95Å; V84-F104 HydrophobicContact CG2-CE1 4.11Å; V84-F104 HydrophobicContact CG2-CE2 4.32Å; V84-F104 HydrophobicContact CG2-CG 3.65Å; V84-F104 HydrophobicContact CG2-CZ 4.38Å
85	F	95.5	Very high	87.1	Confident	28 Å²	28	82.9 Å²	82.9	12%	0.123	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	142.7	177.6	-59.2	-96.6	0	0	0	108.5	F67 A68 K70 K83 R97 I98 F243 P244	F67-F85 CarbonylContact C-O 3.57Å; F67-F85 VanDerWaalsContact CA-O 3.23Å; F67-F85 WeakPolarHBondContact CA-O 3.29Å; A68-F85 PolarHBondContact N-O 3.43Å; A68-F85 PolarHBondContact O-N 2.98Å; K70-F85 HydrophobicContact CB-CE2 4.15Å; K83-F85 HydrophobicContact CB-CE2 4.26Å; K83-F85 HydrophobicContact CB-CZ 4.39Å; F85-R97 CarbonylContact C-O 3.55Å; F85-R97 WeakPolarHBondContact CA-O 3.22Å; F85-I98 HydrophobicContact CD1-CD1 4.07Å; F85-I98 HydrophobicContact CD1-CG1 3.69Å; F85-I98 HydrophobicContact CE1-CD1 3.73Å; F85-I98 HydrophobicContact CE1-CG1 3.84Å; F85-F243 HydrophobicContact CB-CD2 3.88Å; F85-F243 HydrophobicContact CB-CE2 3.8Å; F85-P244 HydrophobicContact CB-CG 4.19Å; F85-P244 VanDerWaalsContact CD1-CD 3.48Å; F85-P244 HydrophobicContact CD1-CG 4.15Å; F85-P244 HydrophobicContact CD2-CG 3.8Å; F85-P244 HydrophobicContact CE2-CG 4.22Å; F85-P244 VanDerWaalsContact CG-CD 3.46Å; F85-P244 HydrophobicContact CG-CG 3.77Å
86	C	95.4	Very high	88.2	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.2	174.2	176.9	0	0	0	0	109.3	K66 F67 Y96 R97 F99	K66-C86 CarbonylContact O-C 3.56Å; K66-C86 WeakPolarHBondContact O-CA 3.39Å; F67-C86 HydrophobicContact CD1-CB 3.71Å; F67-C86 HydrophobicContact CE1-CB 3.73Å; C86-Y96 CarbonylContact O-C 3.51Å; C86-Y96 VanDerWaalsContact O-CA 3.3Å; C86-Y96 WeakPolarHBondContact O-CA 3.45Å; C86-R97 HydrophobicContact CB-CB 4.19Å; C86-R97 PolarHBondContact N-O 3.01Å; C86-R97 PolarHBondContact O-N 2.8Å; C86-F99 HydrophobicContact CB-CD2 4.38Å; C86-F99 HydrophobicContact CB-CE2 3.67Å
87	R	95	Very high	89.1	Confident	82 Å²	82	75.4 Å²	75.4	31%	0.309	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.9	172.1	173.2	174.6	-173.5	170.8	2.5	108.8	V65 K66 S89 S94 Y96 F243	V65-R87 CarbonylContact C-O 3.6Å; V65-R87 WeakPolarHBondContact CA-O 3.43Å; K66-R87 PolarHBondContact N-O 3.07Å; K66-R87 PolarHBondContact O-N 3.03Å; R87-S89 PolarHBondContact NE-OG 2.92Å; R87-S89 VanDerWaalsContact NE-OG 3.08Å; R87-S94 PolarHBondContact NE-OG 3.26Å; R87-S94 PolarHBondContact NH2-OG 2.98Å; R87-Y96 HydrophobicContact CB-CD1 3.93Å; R87-Y96 HydrophobicContact CB-CE1 4.08Å; R87-Y96 HydrophobicContact CG-CD1 3.94Å; R87-Y96 HydrophobicContact CG-CE1 3.64Å; R87-F243 HydrophobicContact CB-CD1 4.45Å; R87-F243 HydrophobicContact CB-CD2 3.65Å; R87-F243 HydrophobicContact CB-CE1 4.37Å; R87-F243 HydrophobicContact CB-CE2 3.55Å; R87-F243 HydrophobicContact CB-CG 4.1Å; R87-F243 HydrophobicContact CB-CZ 3.92Å
88	I	93.8	Very high	89.8	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	101.1	173	-51.2	175.5	0	0	0	107.4	I64 V65 K90 S94 V95 L230 I233 S234	I64-I88 HydrophobicContact CD1-CG2 3.74Å; I64-I88 HydrophobicContact CG1-CG2 4.14Å; I64-I88 WeakPolarHBondContact O-CA 3.36Å; V65-I88 HydrophobicContact CG2-CG1 4.42Å; I88-K90 PolarHBondContact O-N 2.91Å; I88-S94 CarbonylContact O-C 3.58Å; I88-S94 WeakPolarHBondContact O-CA 3.34Å; I88-V95 HydrophobicContact CB-CB 4.43Å; I88-V95 PolarHBondContact N-O 3.12Å; I88-V95 PolarHBondContact O-N 3.46Å; I88-L230 HydrophobicContact CG2-CD1 4.27Å; I88-I233 HydrophobicContact CD1-CG2 4.16Å; I88-S234 WeakPolarHBondContact CD1-OG 3.3Å
89	S	91.8	Very high	90.2	Very high	43 Å²	43	68.6 Å²	68.6	30%	0.301	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	100.8	-174	-64.5	0	0	0	0	111.3	I64 R87	I64-S89 VanDerWaalsContact CB-O 3.28Å; I64-S89 WeakPolarHBondContact CB-O 3.26Å; I64-S89 VanDerWaalsContact CG2-O 3.29Å; I64-S89 WeakPolarHBondContact CG2-O 3.45Å; I64-S89 PolarHBondContact O-N 2.86Å; R87-S89 PolarHBondContact NE-OG 2.92Å; R87-S89 VanDerWaalsContact NE-OG 3.08Å
90	K	84.9	Confident	90.4	Very high	123 Å²	123	67.6 Å²	67.6	54%	0.535	32%	0.323	S	S	.	.			trans	-95.4	156.9	169.5	-58.6	-177	177.2	-178.2	0	110	I64 I88 N92 R93	I64-K90 HydrophobicContact CD1-CG 4.39Å; I88-K90 PolarHBondContact O-N 2.91Å; K90-N92 PolarHBondContact O-N 3.06Å; K90-R93 WeakPolarHBondContact CA-O 3.4Å; K90-R93 VanDerWaalsContact CB-O 3.31Å; K90-R93 WeakPolarHBondContact CB-O 3.33Å; K90-R93 PolarHBondContact N-O 2.77Å; K90-R93 CarbonylContact O-C 3.6Å; K90-R93 PolarHBondContact O-N 3.39Å; K90-R93 VanDerWaalsContact O-N 3.15Å; K90-R93 VanDerWaalsContact O-O 3.13Å
91	K	81.5	Confident	90.8	Very high	214 Å²	214	61.4 Å²	61.4	93%	0.93	29%	0.291	S	S	*	.	S	Bend	trans	-43.7	-39.7	-176.2	-67.9	-173.7	177.9	-177.1	0	114.6
92	N	79.4	Confident	91.1	Very high	155 Å²	155	61.1 Å²	61.1	83%	0.829	28%	0.284	S	S	*	.	S	Bend	trans	-105.4	-22.8	-174.8	-62.8	-8.9	0	0	0	113.9	K90	K90-N92 PolarHBondContact O-N 3.06Å
93	R	87.6	Confident	91.3	Very high	208 Å²	208	63.4 Å²	63.4	79%	0.785	29%	0.293	S	S	*	.			trans	-155.1	139.8	-173.2	-66.5	-170.7	179.3	167.5	-0.4	110.5	K90	K90-R93 WeakPolarHBondContact CA-O 3.4Å; K90-R93 VanDerWaalsContact CB-O 3.31Å; K90-R93 WeakPolarHBondContact CB-O 3.33Å; K90-R93 PolarHBondContact N-O 2.77Å; K90-R93 CarbonylContact O-C 3.6Å; K90-R93 PolarHBondContact O-N 3.39Å; K90-R93 VanDerWaalsContact O-N 3.15Å; K90-R93 VanDerWaalsContact O-O 3.13Å
94	S	89.7	Confident	91.5	Very high	37 Å²	37	59.6 Å²	59.6	26%	0.259	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	141.5	166	-62.3	0	0	0	0	109.6	R87 I88	R87-S94 PolarHBondContact NE-OG 3.26Å; R87-S94 PolarHBondContact NH2-OG 2.98Å; I88-S94 CarbonylContact O-C 3.58Å; I88-S94 WeakPolarHBondContact O-CA 3.34Å
95	V	90.2	Very high	91.5	Very high	59 Å²	59	59.7 Å²	59.7	36%	0.358	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.3	170.5	177.9	0	0	0	0	108	I88	I88-V95 HydrophobicContact CB-CB 4.43Å; I88-V95 PolarHBondContact N-O 3.12Å; I88-V95 PolarHBondContact O-N 3.46Å
96	Y	94.1	Very high	91.3	Very high	54 Å²	54	63.5 Å²	63.5	21%	0.212	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	142.2	178.4	-45	-65	0	0	0	111.9	C86 R87 S240 F243	C86-Y96 CarbonylContact O-C 3.51Å; C86-Y96 VanDerWaalsContact O-CA 3.3Å; C86-Y96 WeakPolarHBondContact O-CA 3.45Å; R87-Y96 HydrophobicContact CB-CD1 3.93Å; R87-Y96 HydrophobicContact CB-CE1 4.08Å; R87-Y96 HydrophobicContact CG-CD1 3.94Å; R87-Y96 HydrophobicContact CG-CE1 3.64Å; Y96-S240 WeakPolarHBondContact CB-O 3.43Å; Y96-S240 PolarHBondContact O-N 2.89Å; Y96-F243 HydrophobicContact CD1-CB 3.48Å; Y96-F243 VanDerWaalsContact CD1-CB 3.48Å; Y96-F243 HydrophobicContact CD1-CD2 4.12Å; Y96-F243 HydrophobicContact CD1-CG 4.07Å; Y96-F243 HydrophobicContact CE1-CB 3.55Å; Y96-F243 HydrophobicContact CE1-CG 4.2Å; Y96-F243 HydrophobicContact CG-CB 4.03Å
97	R	94.4	Very high	91.3	Very high	45 Å²	45	63.8 Å²	63.8	17%	0.17	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.8	175.6	-62.3	-67.9	-174.8	-175.2	-3	110.1	F85 C86 F99 S234 R238 P239	F85-R97 CarbonylContact C-O 3.55Å; F85-R97 WeakPolarHBondContact CA-O 3.22Å; C86-R97 HydrophobicContact CB-CB 4.19Å; C86-R97 PolarHBondContact N-O 3.01Å; C86-R97 PolarHBondContact O-N 2.8Å; R97-F99 HydrophobicContact CB-CD2 4.42Å; R97-F99 HydrophobicContact CB-CE2 3.64Å; R97-F99 HydrophobicContact CB-CZ 4.13Å; R97-S234 VanDerWaalsContact CZ-O 3.26Å; R97-S234 PolarHBondContact NE-O 2.87Å; R97-S234 VanDerWaalsContact NE-O 3.13Å; R97-S234 PolarHBondContact NH2-O 3.48Å; R97-R238 CarbonylContact C-O 3.58Å; R97-R238 VanDerWaalsContact CA-O 3.26Å; R97-R238 WeakPolarHBondContact CA-O 3.47Å; R97-P239 VanDerWaalsContact NH1-CD 3.29Å
98	I	95.2	Very high	91.4	Very high	31 Å²	31	61.1 Å²	61.1	16%	0.159	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.3	171.8	-63	175.5	0	0	0	108.2	K83 F85 G237 R238 S240	K83-I98 HydrophobicContact CB-CG2 3.93Å; K83-I98 HydrophobicContact CD-CG2 3.66Å; K83-I98 HydrophobicContact CG-CG2 4.33Å; F85-I98 HydrophobicContact CD1-CD1 4.07Å; F85-I98 HydrophobicContact CD1-CG1 3.69Å; F85-I98 HydrophobicContact CE1-CD1 3.73Å; F85-I98 HydrophobicContact CE1-CG1 3.84Å; I98-G237 WeakPolarHBondContact O-CA 3.44Å; I98-R238 PolarHBondContact N-O 2.9Å; I98-R238 PolarHBondContact O-N 3.24Å; I98-S240 VanDerWaalsContact CD1-CB 3.49Å; I98-S240 VanDerWaalsContact CD1-OG 3.29Å; I98-S240 WeakPolarHBondContact CD1-OG 3.48Å
99	F	94.7	Very high	91.4	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.2	178.5	-62.6	-98.5	0	0	0	109.7	F67 K83 V84 C86 R97 E103 F104 L107 T236 G237	F67-F99 HydrophobicContact CE1-CE2 4.25Å; K83-F99 WeakPolarHBondContact CA-O 3.34Å; V84-F99 HydrophobicContact CB-CB 4.38Å; V84-F99 PolarHBondContact N-O 2.85Å; V84-F99 VanDerWaalsContact N-O 3.09Å; V84-F99 PolarHBondContact O-N 2.82Å; C86-F99 HydrophobicContact CB-CD2 4.38Å; C86-F99 HydrophobicContact CB-CE2 3.67Å; R97-F99 HydrophobicContact CB-CD2 4.42Å; R97-F99 HydrophobicContact CB-CE2 3.64Å; R97-F99 HydrophobicContact CB-CZ 4.13Å; F99-E103 HydrophobicContact CD1-CB 4.34Å; F99-F104 HydrophobicContact CB-CB 3.85Å; F99-F104 HydrophobicContact CG-CB 4.49Å; F99-L107 HydrophobicContact CD1-CD2 4.29Å; F99-L107 HydrophobicContact CE1-CD2 3.56Å; F99-L107 HydrophobicContact CZ-CD2 3.7Å; F99-T236 VanDerWaalsContact CE1-C 3.45Å; F99-T236 WeakPolarHBondContact CE1-OG1 3.38Å; F99-T236 WeakPolarHBondContact CZ-O 3.41Å; F99-G237 VanDerWaalsContact CE1-N 3.32Å
100	E	92.1	Very high	91.5	Very high	51 Å²	51	64.8 Å²	64.8	24%	0.238	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	152.7	158.4	-61.6	-60.4	151.2	0	0	109.1	K83 I102 E103 F104	K83-E100 WeakPolarHBondContact CE-OE1 3.28Å; K83-E100 IonicContact NZ-OE1 3.38Å; K83-E100 PolarHBondContact NZ-OE1 2.89Å; E100-I102 VanDerWaalsContact C-N 3.29Å; E100-I102 PolarHBondContact O-N 3.09Å; E100-E103 HydrophobicContact CB-CG 4.12Å; E100-E103 PolarHBondContact N-OE2 2.75Å; E100-E103 WeakPolarHBondContact O-CA 3.5Å; E100-E103 WeakPolarHBondContact O-CB 3.15Å; E100-E103 PolarHBondContact O-N 3.48Å; E100-F104 PolarHBondContact O-N 3.18Å
101	L	92.3	Very high	92	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-59.3	-38	-170.9	-175	51.3	0	0	0	113.2	L35 L43 W78 R79 F104 L105	L35-L101 HydrophobicContact CD1-CB 4.02Å; L35-L101 HydrophobicContact CD1-CD2 3.35Å; L35-L101 HydrophobicContact CD1-CG 3.41Å; L35-L101 VanDerWaalsContact CD1-CG 3.41Å; L43-L101 HydrophobicContact CD1-CD1 3.46Å; L43-L101 VanDerWaalsContact CD1-CD1 3.46Å; L43-L101 HydrophobicContact CD2-CD1 3.64Å; L43-L101 HydrophobicContact CD2-CD2 4.24Å; L43-L101 HydrophobicContact CG-CD1 4.19Å; W78-L101 HydrophobicContact CH2-CD2 4.4Å; W78-L101 HydrophobicContact CZ3-CD2 3.83Å; R79-L101 HydrophobicContact CB-CD2 4.25Å; R79-L101 HydrophobicContact CG-CD2 4.35Å; L101-F104 PolarHBondContact O-N 3.25Å; L101-L105 HydrophobicContact CD1-CG 4.32Å; L101-L105 HydrophobicContact CG-CD1 4.45Å; L101-L105 VanDerWaalsContact O-CG 3.32Å; L101-L105 WeakPolarHBondContact O-CG 3.39Å; L101-L105 PolarHBondContact O-N 3.41Å
102	I	91.3	Very high	92.7	Very high	57 Å²	57	51.1 Å²	51.1	29%	0.292	24%	0.238	S	C	.	.	H	α-helix	trans	-63.6	-42.1	174.4	-64.9	175.8	0	0	0	111.5	L35 E100 F104 L105 R106	L35-I102 HydrophobicContact CD1-CG1 4.49Å; L35-I102 HydrophobicContact CD2-CD1 3.88Å; L35-I102 HydrophobicContact CD2-CG1 3.66Å; L35-I102 HydrophobicContact CG-CG1 4.49Å; E100-I102 VanDerWaalsContact C-N 3.29Å; E100-I102 PolarHBondContact O-N 3.09Å; I102-F104 VanDerWaalsContact C-N 3.31Å; I102-L105 PolarHBondContact O-N 3.21Å; I102-R106 WeakPolarHBondContact O-CG 3.3Å; I102-R106 PolarHBondContact O-N 3.19Å; I102-R106 VanDerWaalsContact O-N 3.07Å
103	E	92.8	Very high	93.3	Very high	58 Å²	58	48.8 Å²	48.8	27%	0.271	22%	0.218	S	C	.	.	H	α-helix	trans	-65	-39.8	179	-60.7	173.3	152.3	0	0	110.6	F99 E100 R106 L107	F99-E103 HydrophobicContact CD1-CB 4.34Å; E100-E103 HydrophobicContact CB-CG 4.12Å; E100-E103 PolarHBondContact N-OE2 2.75Å; E100-E103 WeakPolarHBondContact O-CA 3.5Å; E100-E103 WeakPolarHBondContact O-CB 3.15Å; E100-E103 PolarHBondContact O-N 3.48Å; E103-R106 WeakPolarHBondContact O-CB 3.48Å; E103-R106 PolarHBondContact O-N 3.25Å; E103-L107 PolarHBondContact O-N 3.04Å
104	F	95.5	Very high	93.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.9	-44.6	176.3	179.3	-105.6	0	0	0	112.4	L43 V46 V47 L50 F67 V84 F99 E100 L101 I102 R106 L107 Y108	L43-F104 HydrophobicContact CD1-CD1 3.96Å; L43-F104 HydrophobicContact CD1-CE1 3.87Å; V46-F104 HydrophobicContact CG1-CE1 3.71Å; V46-F104 HydrophobicContact CG1-CZ 4.26Å; V47-F104 HydrophobicContact CB-CZ 4.36Å; V47-F104 HydrophobicContact CG2-CE1 3.69Å; V47-F104 HydrophobicContact CG2-CE2 4.43Å; V47-F104 HydrophobicContact CG2-CZ 3.53Å; L50-F104 HydrophobicContact CD1-CE2 3.51Å; L50-F104 HydrophobicContact CD1-CZ 3.52Å; F67-F104 HydrophobicContact CD1-CD2 4.49Å; F67-F104 AromaticContact CD1-CE2 3.88Å; F67-F104 HydrophobicContact CD1-CE2 3.88Å; F67-F104 HydrophobicContact CE1-CE2 4.2Å; F67-F104 HydrophobicContact CG-CE2 4.42Å; V84-F104 HydrophobicContact CB-CB 4.32Å; V84-F104 HydrophobicContact CB-CD1 4.49Å; V84-F104 HydrophobicContact CB-CD2 3.79Å; V84-F104 HydrophobicContact CB-CE2 4.23Å; V84-F104 HydrophobicContact CB-CG 3.93Å; V84-F104 HydrophobicContact CG1-CD2 3.67Å; V84-F104 HydrophobicContact CG1-CE2 3.63Å; V84-F104 HydrophobicContact CG1-CG 4.25Å; V84-F104 HydrophobicContact CG1-CZ 4.17Å; V84-F104 HydrophobicContact CG2-CB 4.12Å; V84-F104 HydrophobicContact CG2-CD1 3.74Å; V84-F104 HydrophobicContact CG2-CD2 3.95Å; V84-F104 HydrophobicContact CG2-CE1 4.11Å; V84-F104 HydrophobicContact CG2-CE2 4.32Å; V84-F104 HydrophobicContact CG2-CG 3.65Å; V84-F104 HydrophobicContact CG2-CZ 4.38Å; F99-F104 HydrophobicContact CB-CB 3.85Å; F99-F104 HydrophobicContact CG-CB 4.49Å; E100-F104 PolarHBondContact O-N 3.18Å; L101-F104 PolarHBondContact O-N 3.25Å; I102-F104 VanDerWaalsContact C-N 3.31Å; F104-R106 VanDerWaalsContact C-N 3.3Å; F104-R106 PolarHBondContact O-N 3.22Å; F104-L107 WeakPolarHBondContact O-CB 3.43Å; F104-L107 PolarHBondContact O-N 2.88Å; F104-Y108 WeakPolarHBondContact O-CB 3.2Å; F104-Y108 PolarHBondContact O-N 2.96Å
105	L	94.1	Very high	93.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-63	-37.1	177.4	-69.2	174.8	0	0	0	112	L31 R34 L35 L101 I102 Y108 D109	L31-L105 HydrophobicContact CD2-CB 4.47Å; R34-L105 PolarHBondContact NH1-O 3.48Å; L35-L105 HydrophobicContact CB-CD1 4.33Å; L35-L105 HydrophobicContact CD1-CD1 4.1Å; L101-L105 HydrophobicContact CD1-CG 4.32Å; L101-L105 HydrophobicContact CG-CD1 4.45Å; L101-L105 VanDerWaalsContact O-CG 3.32Å; L101-L105 WeakPolarHBondContact O-CG 3.39Å; L101-L105 PolarHBondContact O-N 3.41Å; I102-L105 PolarHBondContact O-N 3.21Å; L105-Y108 WeakPolarHBondContact O-CB 3.48Å; L105-Y108 PolarHBondContact O-N 3.35Å; L105-D109 PolarHBondContact O-N 3.13Å
106	R	92.7	Very high	94	Very high	108 Å²	108	41 Å²	41	41%	0.408	19%	0.189	S	C	.	.	H	α-helix	trans	-60.2	-49.1	170.7	-77.2	179.4	-178.5	149.7	8.9	112.1	N28 L31 I102 E103 F104 Y108 D109 E110	N28-R106 PolarHBondContact OD1-NH2 3.46Å; L31-R106 HydrophobicContact CD1-CG 3.23Å; L31-R106 HydrophobicContact CD2-CG 3.75Å; L31-R106 HydrophobicContact CG-CG 4.12Å; I102-R106 WeakPolarHBondContact O-CG 3.3Å; I102-R106 PolarHBondContact O-N 3.19Å; I102-R106 VanDerWaalsContact O-N 3.07Å; E103-R106 WeakPolarHBondContact O-CB 3.48Å; E103-R106 PolarHBondContact O-N 3.25Å; F104-R106 VanDerWaalsContact C-N 3.3Å; F104-R106 PolarHBondContact O-N 3.22Å; R106-Y108 VanDerWaalsContact C-N 3.26Å; R106-Y108 PolarHBondContact O-N 2.78Å; R106-D109 PolarHBondContact O-N 2.88Å; R106-E110 PolarHBondContact O-N 3.06Å; R106-E110 VanDerWaalsContact O-N 3.14Å
107	L	95.3	Very high	93.7	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-59.1	-42.7	178.2	175.6	64	0	0	0	110.7	F67 F99 E103 F104 E110 I111 L232 I233	F67-L107 HydrophobicContact CE1-CD2 3.94Å; F67-L107 HydrophobicContact CZ-CD2 4.03Å; F99-L107 HydrophobicContact CD1-CD2 4.29Å; F99-L107 HydrophobicContact CE1-CD2 3.56Å; F99-L107 HydrophobicContact CZ-CD2 3.7Å; E103-L107 PolarHBondContact O-N 3.04Å; F104-L107 WeakPolarHBondContact O-CB 3.43Å; F104-L107 PolarHBondContact O-N 2.88Å; L107-E110 PolarHBondContact O-N 3.13Å; L107-I111 HydrophobicContact CD1-CD1 3.88Å; L107-I111 HydrophobicContact CD1-CG1 4.16Å; L107-I111 HydrophobicContact CD2-CD1 4.4Å; L107-I111 HydrophobicContact CG-CD1 3.8Å; L107-I111 HydrophobicContact CG-CG1 4.43Å; L107-I111 VanDerWaalsContact O-CG1 3.3Å; L107-I111 WeakPolarHBondContact O-CG1 3.28Å; L107-I111 PolarHBondContact O-N 3.34Å; L107-L232 HydrophobicContact CD1-CD2 3.72Å; L107-L232 HydrophobicContact CD1-CG 3.74Å; L107-I233 HydrophobicContact CD1-CG1 4.21Å; L107-I233 HydrophobicContact CD2-CG1 4.43Å
108	Y	96.2	Very high	93.4	Very high	27 Å²	27	40.8 Å²	40.8	11%	0.106	19%	0.194	C	C	.	.	H	α-helix	trans	-57.5	-51.8	176.6	172.8	-91	0	0	0	112	V46 Q49 L50 F104 L105 R106 E110 I111 I112	V46-Y108 HydrophobicContact CB-CD2 4.46Å; V46-Y108 HydrophobicContact CB-CE2 4.33Å; V46-Y108 HydrophobicContact CG1-CD1 4.33Å; V46-Y108 HydrophobicContact CG1-CD2 3.33Å; V46-Y108 HydrophobicContact CG1-CE2 3.63Å; V46-Y108 HydrophobicContact CG1-CG 3.7Å; V46-Y108 HydrophobicContact CG2-CE2 4.37Å; Q49-Y108 PolarHBondContact OE1-OH 3.3Å; L50-Y108 HydrophobicContact CD1-CD2 3.99Å; L50-Y108 HydrophobicContact CD2-CD2 3.59Å; L50-Y108 HydrophobicContact CD2-CE2 4.19Å; L50-Y108 HydrophobicContact CG-CD2 3.64Å; L50-Y108 HydrophobicContact CG-CE2 4.31Å; F104-Y108 WeakPolarHBondContact O-CB 3.2Å; F104-Y108 PolarHBondContact O-N 2.96Å; L105-Y108 WeakPolarHBondContact O-CB 3.48Å; L105-Y108 PolarHBondContact O-N 3.35Å; R106-Y108 VanDerWaalsContact C-N 3.26Å; R106-Y108 PolarHBondContact O-N 2.78Å; Y108-E110 PolarHBondContact O-N 3.41Å; Y108-I111 PolarHBondContact O-N 3.38Å; Y108-I111 VanDerWaalsContact O-N 3.13Å; Y108-I112 HydrophobicContact CD1-CG1 4.03Å; Y108-I112 HydrophobicContact CD2-CG1 4.27Å; Y108-I112 HydrophobicContact CE1-CD1 4.38Å; Y108-I112 HydrophobicContact CE1-CG1 3.57Å; Y108-I112 HydrophobicContact CE2-CD1 3.9Å; Y108-I112 HydrophobicContact CE2-CG1 3.83Å; Y108-I112 HydrophobicContact CG-CG1 4.38Å; Y108-I112 VanDerWaalsContact CZ-CG1 3.47Å; Y108-I112 WeakPolarHBondContact O-CG1 3.47Å; Y108-I112 PolarHBondContact O-N 3.35Å
109	D	93.1	Very high	93.1	Very high	54 Å²	54	43.8 Å²	43.8	29%	0.289	21%	0.211	S	C	.	.	H	α-helix	trans	-58.9	-39.7	-179.4	-74.8	-22.5	0	0	0	111.9	R34 L105 R106 I112 R113	R34-D109 IonicContact CZ-OD1 3.42Å; R34-D109 IonicContact CZ-OD2 3.92Å; R34-D109 IonicContact NH1-OD1 2.6Å; R34-D109 PolarHBondContact NH1-OD1 3.2Å; R34-D109 IonicContact NH1-OD2 2.78Å; R34-D109 PolarHBondContact NH1-OD2 3.18Å; R34-D109 IonicContact NH2-OD1 3.75Å; L105-D109 PolarHBondContact O-N 3.13Å; R106-D109 PolarHBondContact O-N 2.88Å; D109-I112 PolarHBondContact O-N 3.01Å; D109-R113 WeakPolarHBondContact O-CB 3.4Å; D109-R113 PolarHBondContact O-N 3.15Å
110	E	94.1	Very high	92.5	Very high	66 Å²	66	47.4 Å²	47.4	31%	0.308	24%	0.236	S	C	.	.	H	α-helix	trans	-67	-40.2	178.3	-169.7	68.7	171.5	0	0	112.1	R106 L107 Y108 R113 F114 L232	R106-E110 PolarHBondContact O-N 3.06Å; R106-E110 VanDerWaalsContact O-N 3.14Å; L107-E110 PolarHBondContact O-N 3.13Å; Y108-E110 PolarHBondContact O-N 3.41Å; E110-R113 WeakPolarHBondContact O-CB 3.49Å; E110-R113 PolarHBondContact O-N 3.48Å; E110-R113 IonicContact OE1-CZ 2.77Å; E110-R113 IonicContact OE1-NE 2.6Å; E110-R113 IonicContact OE1-NH2 3.67Å; E110-R113 PolarHBondContact OE1-NH2 3.43Å; E110-R113 IonicContact OE2-CZ 3.55Å; E110-R113 IonicContact OE2-NE 2.9Å; E110-R113 PolarHBondContact OE2-NE 2.95Å; E110-R113 IonicContact OE2-NH2 2.65Å; E110-R113 PolarHBondContact OE2-NH2 2.84Å; E110-F114 HydrophobicContact CG-CD2 4.33Å; E110-F114 HydrophobicContact CG-CE2 3.97Å; E110-F114 WeakPolarHBondContact O-CD2 3.45Å; E110-F114 PolarHBondContact O-N 3.24Å; E110-L232 HydrophobicContact CB-CD2 4.02Å; E110-L232 HydrophobicContact CG-CD2 3.41Å; E110-L232 VanDerWaalsContact CG-CD2 3.41Å
111	I	96	Very high	91.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-40.9	175.2	-67.6	171.5	0	0	0	111.1	L50 L53 F58 L107 Y108 R113 F114 K115 V229 I233	L50-I111 HydrophobicContact CD1-CD1 4.33Å; L50-I111 HydrophobicContact CD2-CB 3.96Å; L50-I111 HydrophobicContact CD2-CD1 3.89Å; L50-I111 HydrophobicContact CD2-CG2 3.73Å; L53-I111 HydrophobicContact CD1-CG2 4.45Å; F58-I111 HydrophobicContact CE2-CG2 3.51Å; F58-I111 HydrophobicContact CZ-CG2 3.87Å; L107-I111 HydrophobicContact CD1-CD1 3.88Å; L107-I111 HydrophobicContact CD1-CG1 4.16Å; L107-I111 HydrophobicContact CD2-CD1 4.4Å; L107-I111 HydrophobicContact CG-CD1 3.8Å; L107-I111 HydrophobicContact CG-CG1 4.43Å; L107-I111 VanDerWaalsContact O-CG1 3.3Å; L107-I111 WeakPolarHBondContact O-CG1 3.28Å; L107-I111 PolarHBondContact O-N 3.34Å; Y108-I111 PolarHBondContact O-N 3.38Å; Y108-I111 VanDerWaalsContact O-N 3.13Å; I111-R113 VanDerWaalsContact C-N 3.3Å; I111-R113 PolarHBondContact O-N 3.14Å; I111-F114 PolarHBondContact O-N 2.65Å; I111-K115 PolarHBondContact O-N 3.43Å; I111-V229 HydrophobicContact CG1-CG1 4.22Å; I111-I233 HydrophobicContact CD1-CD1 3.98Å; I111-I233 HydrophobicContact CD1-CG1 4Å
112	I	95.8	Very high	89.8	Confident	50 Å²	50	52.5 Å²	52.5	26%	0.256	27%	0.266	S	S	.	.	H	α-helix	trans	-62.6	-39	175	-65.9	-58.3	0	0	0	111	L53 Y108 D109 F114 K115 S116	L53-I112 HydrophobicContact CD1-CD1 3.65Å; Y108-I112 HydrophobicContact CD1-CG1 4.03Å; Y108-I112 HydrophobicContact CD2-CG1 4.27Å; Y108-I112 HydrophobicContact CE1-CD1 4.38Å; Y108-I112 HydrophobicContact CE1-CG1 3.57Å; Y108-I112 HydrophobicContact CE2-CD1 3.9Å; Y108-I112 HydrophobicContact CE2-CG1 3.83Å; Y108-I112 HydrophobicContact CG-CG1 4.38Å; Y108-I112 VanDerWaalsContact CZ-CG1 3.47Å; Y108-I112 WeakPolarHBondContact O-CG1 3.47Å; Y108-I112 PolarHBondContact O-N 3.35Å; D109-I112 PolarHBondContact O-N 3.01Å; I112-F114 VanDerWaalsContact C-N 3.35Å; I112-F114 PolarHBondContact O-N 3.14Å; I112-K115 WeakPolarHBondContact O-CB 3.32Å; I112-K115 PolarHBondContact O-N 2.91Å; I112-S116 PolarHBondContact O-N 3.32Å
113	R	93.2	Very high	88	Confident	107 Å²	107	58.6 Å²	58.6	40%	0.404	29%	0.294	S	S	.	.	H	α-helix	trans	-59.6	-44.6	173.1	-170.7	-175.9	63.8	69.1	2.5	111.5	D109 E110 I111 S116 L117	D109-R113 WeakPolarHBondContact O-CB 3.4Å; D109-R113 PolarHBondContact O-N 3.15Å; E110-R113 WeakPolarHBondContact O-CB 3.49Å; E110-R113 PolarHBondContact O-N 3.48Å; E110-R113 IonicContact OE1-CZ 2.77Å; E110-R113 IonicContact OE1-NE 2.6Å; E110-R113 IonicContact OE1-NH2 3.67Å; E110-R113 PolarHBondContact OE1-NH2 3.43Å; E110-R113 IonicContact OE2-CZ 3.55Å; E110-R113 IonicContact OE2-NE 2.9Å; E110-R113 PolarHBondContact OE2-NE 2.95Å; E110-R113 IonicContact OE2-NH2 2.65Å; E110-R113 PolarHBondContact OE2-NH2 2.84Å; I111-R113 VanDerWaalsContact C-N 3.3Å; I111-R113 PolarHBondContact O-N 3.14Å; R113-S116 WeakPolarHBondContact O-CB 3.45Å; R113-S116 PolarHBondContact O-N 2.95Å; R113-L117 WeakPolarHBondContact O-CG 3.31Å; R113-L117 PolarHBondContact O-N 3.03Å; R113-L117 VanDerWaalsContact O-N 3.15Å
114	F	93.4	Very high	86	Confident	20 Å²	20	60.3 Å²	60.3	9%	0.088	30%	0.303	C	S	.	.	H	α-helix	trans	-65.9	-36.7	174.8	-78.4	-64.7	0	0	0	113.3	F58 E110 I111 I112 S116 L117 I118 I225 I228 V229 L232	F58-F114 HydrophobicContact CE1-CB 4.26Å; F58-F114 HydrophobicContact CZ-CB 4.3Å; E110-F114 HydrophobicContact CG-CD2 4.33Å; E110-F114 HydrophobicContact CG-CE2 3.97Å; E110-F114 WeakPolarHBondContact O-CD2 3.45Å; E110-F114 PolarHBondContact O-N 3.24Å; I111-F114 PolarHBondContact O-N 2.65Å; I112-F114 VanDerWaalsContact C-N 3.35Å; I112-F114 PolarHBondContact O-N 3.14Å; F114-S116 VanDerWaalsContact C-N 3.33Å; F114-L117 HydrophobicContact CD1-CD1 4.02Å; F114-L117 HydrophobicContact CE1-CD1 4.42Å; F114-L117 WeakPolarHBondContact O-CB 3.36Å; F114-L117 PolarHBondContact O-N 3.26Å; F114-I118 PolarHBondContact O-N 3.15Å; F114-I225 HydrophobicContact CB-CG2 3.88Å; F114-I225 HydrophobicContact CD1-CG2 3.76Å; F114-I225 HydrophobicContact CG-CG2 4.13Å; F114-I228 HydrophobicContact CE1-CG2 3.86Å; F114-I228 HydrophobicContact CE2-CG2 4.16Å; F114-I228 HydrophobicContact CZ-CG2 3.47Å; F114-I228 VanDerWaalsContact CZ-CG2 3.47Å; F114-V229 HydrophobicContact CB-CG2 3.72Å; F114-V229 HydrophobicContact CD1-CG2 4.5Å; F114-V229 HydrophobicContact CD2-CG2 3.71Å; F114-V229 HydrophobicContact CE2-CG2 4.46Å; F114-V229 HydrophobicContact CG-CG2 3.73Å; F114-L232 HydrophobicContact CE2-CD2 4.27Å
115	K	94.3	Very high	83.5	Confident	53 Å²	53	64.3 Å²	64.3	23%	0.23	33%	0.329	C	S	.	.	H	α-helix	trans	-57.9	-48.3	172.1	-170.8	-156.8	-176.3	-59.7	0	110.4	L53 T57 F58 I111 I112 L117 I118 D119	L53-K115 HydrophobicContact CD1-CD 4.32Å; L53-K115 HydrophobicContact CD2-CD 3.55Å; L53-K115 VanDerWaalsContact CD2-CE 3.45Å; L53-K115 HydrophobicContact CD2-CG 4.04Å; T57-K115 HydrophobicContact CG2-CG 4.01Å; F58-K115 HydrophobicContact CZ-CB 4.44Å; I111-K115 PolarHBondContact O-N 3.43Å; I112-K115 WeakPolarHBondContact O-CB 3.32Å; I112-K115 PolarHBondContact O-N 2.91Å; K115-L117 PolarHBondContact O-N 3.36Å; K115-I118 WeakPolarHBondContact O-CB 3.25Å; K115-I118 PolarHBondContact O-N 2.95Å; K115-D119 IonicContact NZ-OD1 3.53Å; K115-D119 PolarHBondContact NZ-OD1 3.43Å; K115-D119 IonicContact NZ-OD2 2.84Å; K115-D119 PolarHBondContact NZ-OD2 2.98Å; K115-D119 VanDerWaalsContact O-CG 3.24Å; K115-D119 PolarHBondContact O-N 3.3Å
116	S	93.3	Very high	81.3	Confident	67 Å²	67	70.6 Å²	70.6	47%	0.469	36%	0.362	S	S	.	.	H	α-helix	trans	-59.1	-33.5	177.5	-176.4	0	0	0	0	112.9	I112 R113 F114 D119 S120	I112-S116 PolarHBondContact O-N 3.32Å; R113-S116 WeakPolarHBondContact O-CB 3.45Å; R113-S116 PolarHBondContact O-N 2.95Å; F114-S116 VanDerWaalsContact C-N 3.33Å; S116-D119 PolarHBondContact O-N 3.3Å; S116-S120 WeakPolarHBondContact O-CB 3.4Å; S116-S120 PolarHBondContact O-N 3.39Å; S116-S120 PolarHBondContact O-OG 2.99Å; S116-S120 VanDerWaalsContact O-OG 3.13Å
117	L	88.5	Confident	79	Confident	70 Å²	70	73.2 Å²	73.2	37%	0.366	38%	0.377	S	S	.	.	H	α-helix	trans	-70.7	-30.2	176.2	-69	175.4	0	0	0	113.3	R113 F114 K115 S120 I225	R113-L117 WeakPolarHBondContact O-CG 3.31Å; R113-L117 PolarHBondContact O-N 3.03Å; R113-L117 VanDerWaalsContact O-N 3.15Å; F114-L117 HydrophobicContact CD1-CD1 4.02Å; F114-L117 HydrophobicContact CE1-CD1 4.42Å; F114-L117 WeakPolarHBondContact O-CB 3.36Å; F114-L117 PolarHBondContact O-N 3.26Å; K115-L117 PolarHBondContact O-N 3.36Å; L117-S120 PolarHBondContact O-OG 3.34Å; L117-I225 HydrophobicContact CB-CD1 3.98Å
118	I	88.2	Confident	76.6	Confident	25 Å²	25	74.4 Å²	74.4	13%	0.128	39%	0.388	C	S	.	.	H	α-helix	trans	-73.7	-47.3	172	-66.5	170.7	0	0	0	109.3	T57 F58 F114 K115 S120 Q121 R222 I225	T57-I118 HydrophobicContact CG2-CD1 3.92Å; F58-I118 HydrophobicContact CD1-CD1 3.8Å; F58-I118 HydrophobicContact CE1-CD1 3.56Å; F114-I118 PolarHBondContact O-N 3.15Å; K115-I118 WeakPolarHBondContact O-CB 3.25Å; K115-I118 PolarHBondContact O-N 2.95Å; I118-S120 VanDerWaalsContact C-N 3.31Å; I118-S120 PolarHBondContact O-N 2.68Å; I118-Q121 WeakPolarHBondContact O-CB 3.42Å; I118-Q121 PolarHBondContact O-N 2.73Å; I118-R222 HydrophobicContact CD1-CG 4.28Å; I118-R222 HydrophobicContact CG2-CG 4.38Å; I118-I225 HydrophobicContact CD1-CB 4.16Å; I118-I225 HydrophobicContact CD1-CG2 3.72Å; I118-I225 HydrophobicContact CG1-CB 4.17Å; I118-I225 HydrophobicContact CG1-CD1 3.67Å; I118-I225 HydrophobicContact CG1-CG2 3.94Å
119	D	88	Confident	74	Confident	94 Å²	94	80.8 Å²	80.8	50%	0.503	42%	0.416	S	S	.	.	H	α-helix	trans	-64.9	-33.1	-178.6	-60.9	-22.4	0	0	0	112.4	K115 S116 Q121	K115-D119 IonicContact NZ-OD1 3.53Å; K115-D119 PolarHBondContact NZ-OD1 3.43Å; K115-D119 IonicContact NZ-OD2 2.84Å; K115-D119 PolarHBondContact NZ-OD2 2.98Å; K115-D119 VanDerWaalsContact O-CG 3.24Å; K115-D119 PolarHBondContact O-N 3.3Å; S116-D119 PolarHBondContact O-N 3.3Å; D119-Q121 PolarHBondContact O-N 2.96Å
120	S	82.9	Confident	71.5	Confident	75 Å²	75	86 Å²	86	52%	0.524	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-1.4	-180	72.3	0	0	0	0	113.8	S116 L117 I118 P122	S116-S120 WeakPolarHBondContact O-CB 3.4Å; S116-S120 PolarHBondContact O-N 3.39Å; S116-S120 PolarHBondContact O-OG 2.99Å; S116-S120 VanDerWaalsContact O-OG 3.13Å; L117-S120 PolarHBondContact O-OG 3.34Å; I118-S120 VanDerWaalsContact C-N 3.31Å; I118-S120 PolarHBondContact O-N 2.68Å; S120-P122 WeakPolarHBondContact O-CD 3.49Å
121	Q	69.2	Low	69.1	Low	82 Å²	82	88.4 Å²	88.4	38%	0.383	45%	0.452	S	S	.	.	S	Bend	trans	-66.9	123.9	171.6	-70.1	-62.6	-57.1	0	0	107.9	I118 D119 E123 H221	I118-Q121 WeakPolarHBondContact O-CB 3.42Å; I118-Q121 PolarHBondContact O-N 2.73Å; D119-Q121 PolarHBondContact O-N 2.96Å; Q121-E123 PolarHBondContact O-N 3.15Å; Q121-E123 VanDerWaalsContact O-N 3.09Å; Q121-H221 VanDerWaalsContact CD-CE1 3.45Å; Q121-H221 VanDerWaalsContact CD-ND1 3.28Å; Q121-H221 WeakPolarHBondContact CG-ND1 3.31Å; Q121-H221 PolarHBondContact NE2-CE1 3.49Å; Q121-H221 PolarHBondContact NE2-ND1 3.18Å
122	P	57.5	Low	66.8	Low	82 Å²	82	91.8 Å²	91.8	53%	0.532	48%	0.476	S	S	.	.			trans	-57.3	123.8	166.1	11.3	-8.9	0	0	0	106.6	S120 M124	S120-P122 WeakPolarHBondContact O-CD 3.49Å; P122-M124 HydrophobicContact CB-SD 4.24Å; P122-M124 HydrophobicContact CG-SD 4.18Å; P122-M124 PolarHBondContact O-N 2.95Å
123	E	54.9	Low	64.9	Low	185 Å²	185	96.3 Å²	96.3	86%	0.864	50%	0.501	S	S	*	.			trans	-58.3	93.3	157.2	-69.3	-170.1	171	0	0	104.7	Q121 P125	Q121-E123 PolarHBondContact O-N 3.15Å; Q121-E123 VanDerWaalsContact O-N 3.09Å; E123-P125 VanDerWaalsContact O-CD 3.22Å; E123-P125 WeakPolarHBondContact O-CD 3.49Å
124	M	48.9	Very low	63.8	Low	95 Å²	95	96.5 Å²	96.5	47%	0.468	51%	0.51	S	S	.	.			trans	-56.8	117.4	178.6	-71.3	-60	-60.2	0	0	105.1	P122 D126 A128	P122-M124 HydrophobicContact CB-SD 4.24Å; P122-M124 HydrophobicContact CG-SD 4.18Å; P122-M124 PolarHBondContact O-N 2.95Å; M124-D126 PolarHBondContact O-N 2.65Å; M124-A128 HydrophobicContact CB-CB 4.16Å; M124-A128 HydrophobicContact CE-CB 3.18Å
125	P	43.2	Very low	63.2	Low	84 Å²	84	98 Å²	98	55%	0.545	52%	0.521	S	S	.	.			trans	-53.4	142.5	177.1	17.3	-26	0	0	0	107.2	E123 F127 A128	E123-P125 VanDerWaalsContact O-CD 3.22Å; E123-P125 WeakPolarHBondContact O-CD 3.49Å; P125-F127 PolarHBondContact O-N 3.39Å; P125-A128 PolarHBondContact O-N 3.42Å
126	D	48.8	Very low	62.8	Low	132 Å²	132	95.5 Å²	95.5	71%	0.706	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-48.5	-22.8	-177	-105.7	-34.1	0	0	0	112.9	M124 A128 K129	M124-D126 PolarHBondContact O-N 2.65Å; D126-A128 VanDerWaalsContact C-N 3.27Å; D126-A128 PolarHBondContact O-N 3.33Å; D126-K129 PolarHBondContact O-N 2.97Å
127	F	45.1	Very low	62.5	Low	164 Å²	164	95.6 Å²	95.6	72%	0.719	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-61.4	-18.3	171.7	-70.9	-78.9	0	0	0	116.2	P125 K129 E130	P125-F127 PolarHBondContact O-N 3.39Å; F127-K129 VanDerWaalsContact C-N 3.25Å; F127-K129 PolarHBondContact O-N 3.04Å; F127-E130 WeakPolarHBondContact O-CB 3.46Å; F127-E130 PolarHBondContact O-N 2.92Å
128	A	44.2	Very low	62.3	Low	31 Å²	31	95.4 Å²	95.4	26%	0.256	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-83.4	2.2	176.4	0	0	0	0	0	114.1	M124 P125 D126 E130	M124-A128 HydrophobicContact CB-CB 4.16Å; M124-A128 HydrophobicContact CE-CB 3.18Å; P125-A128 PolarHBondContact O-N 3.42Å; D126-A128 VanDerWaalsContact C-N 3.27Å; D126-A128 PolarHBondContact O-N 3.33Å; A128-E130 PolarHBondContact O-N 2.85Å
129	K	41.6	Very low	62.4	Low	161 Å²	161	96 Å²	96	70%	0.7	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-66.7	-11.1	158.1	-86.5	176.4	178.4	161.9	0	112.7	D126 F127 I131	D126-K129 PolarHBondContact O-N 2.97Å; F127-K129 VanDerWaalsContact C-N 3.25Å; F127-K129 PolarHBondContact O-N 3.04Å; K129-I131 VanDerWaalsContact C-N 3.26Å; K129-I131 PolarHBondContact O-N 2.88Å
130	E	40.6	Very low	62.5	Low	162 Å²	162	97.7 Å²	97.7	76%	0.757	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-90.3	33.1	172.9	-61.2	-173.2	172.3	0	0	112.8	F127 A128 S132	F127-E130 WeakPolarHBondContact O-CB 3.46Å; F127-E130 PolarHBondContact O-N 2.92Å; A128-E130 PolarHBondContact O-N 2.85Å; E130-S132 PolarHBondContact O-N 3.22Å
131	I	44.2	Very low	62.6	Low	117 Å²	117	99.8 Å²	99.8	60%	0.6	53%	0.529	S	S	*	.	S	Bend	trans	-72.3	94	151.7	-59.6	170	0	0	0	104	K129 D133	K129-I131 VanDerWaalsContact C-N 3.26Å; K129-I131 PolarHBondContact O-N 2.88Å; I131-D133 PolarHBondContact O-N 3.07Å; I131-D133 VanDerWaalsContact O-N 3.15Å
132	S	48	Very low	63.2	Low	72 Å²	72	100.4 Å²	100.4	50%	0.503	53%	0.528	S	S	.	.			trans	-16.7	108.5	-174.9	61.3	0	0	0	0	113.4	E130 D134	E130-S132 PolarHBondContact O-N 3.22Å; S132-D134 PolarHBondContact O-N 3.01Å
133	D	54.8	Low	64.4	Low	145 Å²	145	103.4 Å²	103.4	78%	0.775	54%	0.535	S	S	*	.			trans	-62.4	19.1	165.4	-79.6	-34.4	0	0	0	111.9	I131 P135	I131-D133 PolarHBondContact O-N 3.07Å; I131-D133 VanDerWaalsContact O-N 3.15Å; D133-P135 VanDerWaalsContact O-CD 3.27Å; D133-P135 WeakPolarHBondContact O-CD 3.33Å; D133-P135 VanDerWaalsContact O-N 3.08Å
134	D	69.8	Low	65.7	Low	111 Å²	111	95.6 Å²	95.6	59%	0.594	50%	0.5	S	S	*	.			trans	-62.8	115	-179.9	-76.9	-24	0	0	0	107.6	S132 P144	S132-D134 PolarHBondContact O-N 3.01Å; D134-P144 VanDerWaalsContact O-CD 3.27Å; D134-P144 WeakPolarHBondContact O-CD 3.44Å
135	P	82.5	Confident	67.3	Low	50 Å²	50	93.9 Å²	93.9	33%	0.325	49%	0.493	S	S	.	.			trans	-63.1	154.4	179.3	28.3	-35	0	0	0	108.8	D133 C137 L140	D133-P135 VanDerWaalsContact O-CD 3.27Å; D133-P135 WeakPolarHBondContact O-CD 3.33Å; D133-P135 VanDerWaalsContact O-N 3.08Å; P135-C137 PolarHBondContact O-N 3.06Å; P135-L140 VanDerWaalsContact CB-C 3.41Å; P135-L140 HydrophobicContact CG-CB 4.48Å
136	C	84.5	Confident	68.9	Low	1 Å²	1	90.1 Å²	90.1	1%	0.007	47%	0.468	C	S	.	.			trans	-46.2	118.9	175.1	167.3	0	0	0	0	109.8	I138 C139 L140 R142 C155	C136-I138 PolarHBondContact O-N 3.31Å; C136-C139 PolarHBondContact O-N 3.17Å; C136-L140 WeakPolarHBondContact O-CA 3.44Å; C136-L140 PolarHBondContact O-N 3.5Å; C136-R142 WeakPolarHBondContact CB-O 3.29Å; C136-R142 PolarHBondContact N-O 3.15Å; C136-C155 HydrophobicContact CB-CB 3.84Å; C136-C155 PolarHBondContact SG-N 2.9Å
137	C	86.4	Confident	70.6	Confident	69 Å²	69	84.6 Å²	84.6	47%	0.466	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-5.4	-171.1	69.8	0	0	0	0	115	P135 F154	P135-C137 PolarHBondContact O-N 3.06Å; C137-F154 VanDerWaalsContact SG-CE1 3.56Å
138	I	86.2	Confident	72.2	Confident	67 Å²	67	76.9 Å²	76.9	34%	0.344	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-43.7	174.8	-60.7	168.4	0	0	0	111.3	C136 F154 C158 P197	C136-I138 PolarHBondContact O-N 3.31Å; I138-F154 HydrophobicContact CD1-CB 4.47Å; I138-F154 HydrophobicContact CD1-CD1 3.46Å; I138-F154 VanDerWaalsContact CD1-CD1 3.46Å; I138-F154 HydrophobicContact CD1-CE1 4.02Å; I138-F154 HydrophobicContact CD1-CG 4.18Å; I138-F154 HydrophobicContact CG1-CD1 3.89Å; I138-F154 HydrophobicContact CG1-CE1 4.27Å; I138-C158 HydrophobicContact CB-CB 3.91Å; I138-C158 HydrophobicContact CD1-CB 3.76Å; I138-C158 HydrophobicContact CG1-CB 4.44Å; I138-C158 HydrophobicContact CG2-CB 3.9Å; I138-P197 HydrophobicContact CD1-CB 4.5Å; I138-P197 HydrophobicContact CD1-CG 3.98Å
139	C	90.1	Very high	73.7	Confident	38 Å²	38	78.4 Å²	78.4	26%	0.257	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-17.7	-176.8	63.3	0	0	0	0	114.1	C136 D141 R142 C158	C136-C139 PolarHBondContact O-N 3.17Å; C139-D141 HydrophobicContact CB-CB 4.39Å; C139-D141 PolarHBondContact O-N 2.92Å; C139-D141 VanDerWaalsContact O-N 3.13Å; C139-R142 PolarHBondContact SG-N 3.15Å; C139-R142 VanDerWaalsContact SG-N 3.43Å; C139-C158 VanDerWaalsContact CB-SG 3.58Å
140	L	88.6	Confident	75.5	Confident	128 Å²	128	72.4 Å²	72.4	67%	0.67	40%	0.396	S	S	*	.	S	Bend	trans	53.1	28.3	-176.6	-52.6	175.9	0	0	0	113.3	P135 C136	P135-L140 VanDerWaalsContact CB-C 3.41Å; P135-L140 HydrophobicContact CG-CB 4.48Å; C136-L140 WeakPolarHBondContact O-CA 3.44Å; C136-L140 PolarHBondContact O-N 3.5Å
141	D	85	Confident	77.5	Confident	120 Å²	120	71 Å²	71	64%	0.642	39%	0.391	S	S	*	.	S	Bend	trans	-132.8	-62.3	-172.6	176.8	36.2	0	0	0	111.3	C139	C139-D141 HydrophobicContact CB-CB 4.39Å; C139-D141 PolarHBondContact O-N 2.92Å; C139-D141 VanDerWaalsContact O-N 3.13Å
142	R	82.7	Confident	79.4	Confident	94 Å²	94	67.9 Å²	67.9	36%	0.355	37%	0.374	S	S	.	.	S	Bend	trans	-81.4	145	-177.5	-67.8	-178.2	-69.4	-77.9	-1.6	112.8	C136 C139 C155 C158	C136-R142 WeakPolarHBondContact CB-O 3.29Å; C136-R142 PolarHBondContact N-O 3.15Å; C139-R142 PolarHBondContact SG-N 3.15Å; C139-R142 VanDerWaalsContact SG-N 3.43Å; R142-C155 HydrophobicContact CB-CB 3.77Å; R142-C155 PolarHBondContact NE-SG 3.46Å; R142-C155 PolarHBondContact NH2-SG 3.3Å; R142-C158 PolarHBondContact NH2-SG 2.9Å
143	E	81.7	Confident	81.2	Confident	145 Å²	145	66.7 Å²	66.7	68%	0.678	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-58.8	136.9	167.5	-169.5	-178	166.6	0	0	110.8	D145 C155	E143-D145 PolarHBondContact O-N 3.13Å; E143-C155 WeakPolarHBondContact O-CB 3.4Å
144	P	83.1	Confident	82.7	Confident	21 Å²	21	59.8 Å²	59.8	14%	0.136	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-70	122	174.6	27.7	-31.9	0	0	0	111.2	D134 F154 L212	D134-P144 VanDerWaalsContact O-CD 3.27Å; D134-P144 WeakPolarHBondContact O-CD 3.44Å; P144-F154 CarbonylContact C-O 3.59Å; P144-F154 WeakPolarHBondContact CA-O 3.4Å; P144-L212 WeakPolarHBondContact O-CD1 3.26Å
145	D	81.6	Confident	83.5	Confident	60 Å²	60	54.6 Å²	54.6	32%	0.321	30%	0.301	S	S	.	.			trans	-115.6	-1.9	-177.1	60.4	11.4	0	0	0	112.8	E143 F154 C155 Q156 E211 L212	E143-D145 PolarHBondContact O-N 3.13Å; D145-F154 PolarHBondContact N-O 2.73Å; D145-C155 VanDerWaalsContact OD1-CA 3.31Å; D145-C155 WeakPolarHBondContact OD1-CA 3.25Å; D145-Q156 WeakPolarHBondContact OD1-CA 3.39Å; D145-Q156 WeakPolarHBondContact OD1-CB 3.48Å; D145-Q156 PolarHBondContact OD1-N 3.13Å; D145-Q156 WeakPolarHBondContact OD2-CB 3.35Å; D145-Q156 PolarHBondContact OD2-N 3.35Å; D145-E211 CarbonylContact O-C 3.58Å; D145-E211 WeakPolarHBondContact O-CA 3.31Å; D145-L212 PolarHBondContact O-N 2.86Å
146	T	78.7	Confident	83.6	Confident	4 Å²	4	55.6 Å²	55.6	3%	0.025	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	123.1	-174.1	-54.1	0	0	0	0	110.3	S153 F154 I159 S209	T146-S153 CarbonylContact O-C 3.58Å; T146-S153 WeakPolarHBondContact O-CA 3.29Å; T146-F154 WeakPolarHBondContact CB-O 3.41Å; T146-F154 PolarHBondContact N-O 3.41Å; T146-F154 PolarHBondContact O-N 3.24Å; T146-I159 HydrophobicContact CG2-CG2 4.01Å; T146-S209 WeakPolarHBondContact CG2-OG 3.32Å
147	V	83.1	Confident	83.7	Confident	16 Å²	16	58.3 Å²	58.3	10%	0.097	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.7	176.8	178.5	0	0	0	0	110	M151 S209 W210 L212	V147-M151 HydrophobicContact CG1-SD 4.19Å; V147-S209 CarbonylContact O-C 3.55Å; V147-S209 VanDerWaalsContact O-CA 3.24Å; V147-S209 WeakPolarHBondContact O-CA 3.5Å; V147-S209 WeakPolarHBondContact O-CB 3.2Å; V147-W210 HydrophobicContact CB-CB 4.38Å; V147-W210 PolarHBondContact N-O 3.19Å; V147-W210 PolarHBondContact O-N 3.42Å; V147-L212 HydrophobicContact CG2-CD1 3.63Å; V147-L212 HydrophobicContact CG2-CD2 3.83Å; V147-L212 HydrophobicContact CG2-CG 3.63Å
148	L	78.8	Confident	83.8	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.01	30%	0.301	C	S	.	.			trans	-71.4	163.1	174	-62.3	-176.6	0	0	0	111.3	C150 M151 H152 F154 I159 C196 Y203	L148-C150 PolarHBondContact O-N 2.77Å; L148-M151 PolarHBondContact O-N 2.8Å; L148-H152 PolarHBondContact N-O 2.65Å; L148-F154 HydrophobicContact CD1-CD2 4.13Å; L148-F154 HydrophobicContact CD1-CE2 3.65Å; L148-F154 HydrophobicContact CG-CD2 4.17Å; L148-F154 HydrophobicContact CG-CE2 4.07Å; L148-I159 HydrophobicContact CD1-CD1 3.99Å; L148-I159 HydrophobicContact CD2-CD1 4.3Å; L148-I159 HydrophobicContact CD2-CG1 4Å; L148-I159 HydrophobicContact CG-CD1 4.48Å; L148-C196 HydrophobicContact CD1-CB 3.77Å; L148-Y203 HydrophobicContact CD1-CD1 4.01Å; L148-Y203 HydrophobicContact CD1-CE1 3.82Å; L148-Y203 HydrophobicContact CD2-CD1 4.24Å; L148-Y203 HydrophobicContact CD2-CD2 4.25Å; L148-Y203 HydrophobicContact CD2-CE1 4.14Å; L148-Y203 HydrophobicContact CD2-CE2 4.17Å; L148-Y203 HydrophobicContact CD2-CG 4.3Å
149	A	75.2	Confident	83.7	Confident	63 Å²	63	52.4 Å²	52.4	52%	0.521	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-22.8	177.4	0	0	0	0	0	114.3	M151	A149-M151 VanDerWaalsContact C-N 3.27Å; A149-M151 PolarHBondContact O-N 3.46Å
150	C	80.6	Confident	83.3	Confident	36 Å²	36	54.8 Å²	54.8	24%	0.243	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	9.8	174.5	63.5	0	0	0	0	114.7	L148 H152 C196 S201	L148-C150 PolarHBondContact O-N 2.77Å; C150-H152 VanDerWaalsContact C-N 3.28Å; C150-H152 PolarHBondContact O-N 2.99Å; C150-H152 PolarHBondContact SG-ND1 3.21Å; C150-H152 VanDerWaalsContact SG-ND1 3.36Å; C150-C196 VanDerWaalsContact SG-CB 3.56Å; C150-C196 PolarHBondContact SG-SG 3.44Å; C150-S201 WeakPolarHBondContact CB-OG 3.27Å; C150-S201 PolarHBondContact SG-OG 3.11Å
151	M	81.5	Confident	83.1	Confident	132 Å²	132	56.1 Å²	56.1	65%	0.65	29%	0.292	S	S	*	.	S	Bend	trans	66.5	21.7	178.1	-54.4	-62.8	153.6	0	0	115.2	V147 L148 A149	V147-M151 HydrophobicContact CG1-SD 4.19Å; L148-M151 PolarHBondContact O-N 2.8Å; A149-M151 VanDerWaalsContact C-N 3.27Å; A149-M151 PolarHBondContact O-N 3.46Å
152	H	85.3	Confident	82.9	Confident	51 Å²	51	54 Å²	54	24%	0.236	28%	0.275	C	S	.	.			trans	-95.8	138.2	169.2	-68.9	108.8	0	0	0	111.1	L148 C150 F154 C196 I198 C199	L148-H152 PolarHBondContact N-O 2.65Å; C150-H152 VanDerWaalsContact C-N 3.28Å; C150-H152 PolarHBondContact O-N 2.99Å; C150-H152 PolarHBondContact SG-ND1 3.21Å; C150-H152 VanDerWaalsContact SG-ND1 3.36Å; H152-F154 HydrophobicContact CB-CE2 3.67Å; H152-F154 HydrophobicContact CB-CZ 3.87Å; H152-C196 PolarHBondContact ND1-SG 2.91Å; H152-I198 HydrophobicContact CB-CD1 4.02Å; H152-I198 VanDerWaalsContact CD2-CD1 3.45Å; H152-I198 WeakPolarHBondContact CD2-CD1 3.5Å; H152-I198 VanDerWaalsContact NE2-CG2 3.34Å; H152-I198 WeakPolarHBondContact NE2-CG2 3.31Å; H152-C199 PolarHBondContact ND1-SG 3.5Å
153	S	85.3	Confident	82.4	Confident	48 Å²	48	50.8 Å²	50.8	34%	0.336	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.4	-171	-44.7	0	0	0	0	112	T146	T146-S153 CarbonylContact O-C 3.58Å; T146-S153 WeakPolarHBondContact O-CA 3.29Å
154	F	85.3	Confident	81.5	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	163.6	179.2	-51.9	-84.5	0	0	0	110	C137 I138 P144 D145 T146 L148 H152 I159 P197 I198	C137-F154 VanDerWaalsContact SG-CE1 3.56Å; I138-F154 HydrophobicContact CD1-CB 4.47Å; I138-F154 HydrophobicContact CD1-CD1 3.46Å; I138-F154 VanDerWaalsContact CD1-CD1 3.46Å; I138-F154 HydrophobicContact CD1-CE1 4.02Å; I138-F154 HydrophobicContact CD1-CG 4.18Å; I138-F154 HydrophobicContact CG1-CD1 3.89Å; I138-F154 HydrophobicContact CG1-CE1 4.27Å; P144-F154 CarbonylContact C-O 3.59Å; P144-F154 WeakPolarHBondContact CA-O 3.4Å; D145-F154 PolarHBondContact N-O 2.73Å; T146-F154 WeakPolarHBondContact CB-O 3.41Å; T146-F154 PolarHBondContact N-O 3.41Å; T146-F154 PolarHBondContact O-N 3.24Å; L148-F154 HydrophobicContact CD1-CD2 4.13Å; L148-F154 HydrophobicContact CD1-CE2 3.65Å; L148-F154 HydrophobicContact CG-CD2 4.17Å; L148-F154 HydrophobicContact CG-CE2 4.07Å; H152-F154 HydrophobicContact CB-CE2 3.67Å; H152-F154 HydrophobicContact CB-CZ 3.87Å; F154-I159 HydrophobicContact CB-CB 4.09Å; F154-I159 HydrophobicContact CD2-CD1 3.98Å; F154-I159 HydrophobicContact CD2-CG1 4.43Å; F154-I159 HydrophobicContact CE2-CD1 4.39Å; F154-I159 HydrophobicContact CG-CD1 4.31Å; F154-P197 HydrophobicContact CD1-CG 4.36Å; F154-P197 HydrophobicContact CE1-CB 3.86Å; F154-P197 HydrophobicContact CE1-CG 3.74Å; F154-P197 HydrophobicContact CE2-CG 4.4Å; F154-P197 HydrophobicContact CZ-CB 4Å; F154-P197 HydrophobicContact CZ-CG 3.78Å; F154-I198 HydrophobicContact CE1-CD1 4Å; F154-I198 HydrophobicContact CE1-CG1 4.09Å; F154-I198 HydrophobicContact CZ-CD1 3.82Å; F154-I198 HydrophobicContact CZ-CG1 3.88Å
155	C	87	Confident	80.2	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.007	27%	0.272	C	S	.	.			trans	-79.4	146.1	167.5	70.5	0	0	0	0	110.8	C136 R142 E143 D145 P157 C158 I159	C136-C155 HydrophobicContact CB-CB 3.84Å; C136-C155 PolarHBondContact SG-N 2.9Å; R142-C155 HydrophobicContact CB-CB 3.77Å; R142-C155 PolarHBondContact NE-SG 3.46Å; R142-C155 PolarHBondContact NH2-SG 3.3Å; E143-C155 WeakPolarHBondContact O-CB 3.4Å; D145-C155 VanDerWaalsContact OD1-CA 3.31Å; D145-C155 WeakPolarHBondContact OD1-CA 3.25Å; C155-P157 VanDerWaalsContact C-CD 3.47Å; C155-P157 VanDerWaalsContact C-N 3.35Å; C155-C158 PolarHBondContact O-N 3.09Å; C155-C158 VanDerWaalsContact SG-CB 3.51Å; C155-C158 PolarHBondContact SG-SG 2.87Å; C155-I159 PolarHBondContact O-N 3.47Å
156	Q	85.9	Confident	78.7	Confident	71 Å²	71	48.9 Å²	48.9	33%	0.332	28%	0.28	S	S	.	.	H	α-helix	trans	-55.7	-42.7	-174.3	-171.4	-87.9	-34.8	0	0	111.8	D145 C158 I159 H160	D145-Q156 WeakPolarHBondContact OD1-CA 3.39Å; D145-Q156 WeakPolarHBondContact OD1-CB 3.48Å; D145-Q156 PolarHBondContact OD1-N 3.13Å; D145-Q156 WeakPolarHBondContact OD2-CB 3.35Å; D145-Q156 PolarHBondContact OD2-N 3.35Å; Q156-C158 VanDerWaalsContact C-N 3.34Å; Q156-C158 PolarHBondContact O-N 3.22Å; Q156-I159 PolarHBondContact O-N 3.5Å; Q156-H160 PolarHBondContact NE2-CD2 2.92Å; Q156-H160 PolarHBondContact NE2-CE1 3.38Å; Q156-H160 PolarHBondContact NE2-ND1 3.5Å; Q156-H160 PolarHBondContact NE2-NE2 3.38Å; Q156-H160 VanDerWaalsContact NE2-NE2 3.11Å; Q156-H160 VanDerWaalsContact O-CB 3.29Å; Q156-H160 WeakPolarHBondContact O-CB 3.33Å; Q156-H160 PolarHBondContact O-CD2 3.3Å; Q156-H160 PolarHBondContact O-N 2.86Å
157	P	85.7	Confident	77.1	Confident	58 Å²	58	55.4 Å²	55.4	38%	0.377	31%	0.305	S	S	.	.	H	α-helix	trans	-62.4	-38.3	176.4	-24	35	0	0	0	113.4	C155 K161	C155-P157 VanDerWaalsContact C-CD 3.47Å; C155-P157 VanDerWaalsContact C-N 3.35Å; P157-K161 VanDerWaalsContact O-CB 3.28Å; P157-K161 WeakPolarHBondContact O-CB 3.33Å; P157-K161 PolarHBondContact O-N 2.76Å; P157-K161 VanDerWaalsContact O-N 3.09Å
158	C	87.8	Confident	75.3	Confident	13 Å²	13	63.2 Å²	63.2	9%	0.088	34%	0.341	C	S	.	.	H	α-helix	trans	-72.2	-45.2	-178.6	-80.4	0	0	0	0	111.7	I138 C139 R142 C155 Q156 K161 W162	I138-C158 HydrophobicContact CB-CB 3.91Å; I138-C158 HydrophobicContact CD1-CB 3.76Å; I138-C158 HydrophobicContact CG1-CB 4.44Å; I138-C158 HydrophobicContact CG2-CB 3.9Å; C139-C158 VanDerWaalsContact CB-SG 3.58Å; R142-C158 PolarHBondContact NH2-SG 2.9Å; C155-C158 PolarHBondContact O-N 3.09Å; C155-C158 VanDerWaalsContact SG-CB 3.51Å; C155-C158 PolarHBondContact SG-SG 2.87Å; Q156-C158 VanDerWaalsContact C-N 3.34Å; Q156-C158 PolarHBondContact O-N 3.22Å; C158-K161 PolarHBondContact O-N 2.91Å; C158-W162 WeakPolarHBondContact O-CB 3.41Å; C158-W162 PolarHBondContact O-N 2.8Å
159	I	85	Confident	73.7	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-72.7	-33	-177.5	-163.4	60.8	0	0	0	112.2	T146 L148 F154 C155 Q156 W162 A163 P197 T206	T146-I159 HydrophobicContact CG2-CG2 4.01Å; L148-I159 HydrophobicContact CD1-CD1 3.99Å; L148-I159 HydrophobicContact CD2-CD1 4.3Å; L148-I159 HydrophobicContact CD2-CG1 4Å; L148-I159 HydrophobicContact CG-CD1 4.48Å; F154-I159 HydrophobicContact CB-CB 4.09Å; F154-I159 HydrophobicContact CD2-CD1 3.98Å; F154-I159 HydrophobicContact CD2-CG1 4.43Å; F154-I159 HydrophobicContact CE2-CD1 4.39Å; F154-I159 HydrophobicContact CG-CD1 4.31Å; C155-I159 PolarHBondContact O-N 3.47Å; Q156-I159 PolarHBondContact O-N 3.5Å; I159-W162 HydrophobicContact CD1-CB 4.45Å; I159-W162 PolarHBondContact O-N 2.9Å; I159-A163 PolarHBondContact O-N 2.86Å; I159-P197 HydrophobicContact CD1-CG 4.13Å; I159-T206 HydrophobicContact CG2-CG2 4.42Å
160	H	82.1	Confident	71.9	Confident	88 Å²	88	72.9 Å²	72.9	41%	0.407	39%	0.389	S	S	.	.	H	α-helix	trans	-64.7	-44.8	171	-88.5	-122.7	0	0	0	111.8	Q156 W162 A163 G164 T206	Q156-H160 PolarHBondContact NE2-CD2 2.92Å; Q156-H160 PolarHBondContact NE2-CE1 3.38Å; Q156-H160 PolarHBondContact NE2-ND1 3.5Å; Q156-H160 PolarHBondContact NE2-NE2 3.38Å; Q156-H160 VanDerWaalsContact NE2-NE2 3.11Å; Q156-H160 VanDerWaalsContact O-CB 3.29Å; Q156-H160 WeakPolarHBondContact O-CB 3.33Å; Q156-H160 PolarHBondContact O-CD2 3.3Å; Q156-H160 PolarHBondContact O-N 2.86Å; H160-W162 VanDerWaalsContact C-N 3.31Å; H160-W162 PolarHBondContact O-N 3.25Å; H160-A163 PolarHBondContact O-N 2.73Å; H160-G164 PolarHBondContact O-N 3.02Å; H160-T206 PolarHBondContact NE2-OG1 3.39Å
161	K	82.9	Confident	70	Confident	155 Å²	155	76.6 Å²	76.6	67%	0.674	42%	0.416	S	S	*	.	H	α-helix	trans	-63.9	-39.8	176.7	-169.2	174.4	-177.5	-179.9	0	111.2	P157 C158 G164 I165	P157-K161 VanDerWaalsContact O-CB 3.28Å; P157-K161 WeakPolarHBondContact O-CB 3.33Å; P157-K161 PolarHBondContact O-N 2.76Å; P157-K161 VanDerWaalsContact O-N 3.09Å; C158-K161 PolarHBondContact O-N 2.91Å; K161-G164 PolarHBondContact O-N 3.15Å; K161-G164 VanDerWaalsContact O-N 3.12Å; K161-I165 HydrophobicContact CG-CD1 4.44Å; K161-I165 WeakPolarHBondContact O-CG1 3.4Å; K161-I165 PolarHBondContact O-N 3.36Å
162	W	81.8	Confident	68	Low	76 Å²	76	75.1 Å²	75.1	29%	0.288	42%	0.424	S	S	.	.	H	α-helix	trans	-60.2	-48.8	176.7	-176.3	-96	0	0	0	112.5	C158 I159 H160 G164 I165 Y167 Q195 P197	C158-W162 WeakPolarHBondContact O-CB 3.41Å; C158-W162 PolarHBondContact O-N 2.8Å; I159-W162 HydrophobicContact CD1-CB 4.45Å; I159-W162 PolarHBondContact O-N 2.9Å; H160-W162 VanDerWaalsContact C-N 3.31Å; H160-W162 PolarHBondContact O-N 3.25Å; W162-G164 PolarHBondContact O-N 2.93Å; W162-G164 VanDerWaalsContact O-N 3.13Å; W162-I165 PolarHBondContact O-N 3.44Å; W162-I165 VanDerWaalsContact O-N 3.11Å; W162-Y167 HydrophobicContact CH2-CE2 4.08Å; W162-Y167 HydrophobicContact CZ2-CE2 4.45Å; W162-Y167 HydrophobicContact CZ3-CE2 4.18Å; W162-Y167 WeakPolarHBondContact CZ3-OH 3.42Å; W162-Q195 PolarHBondContact NE1-O 2.82Å; W162-P197 HydrophobicContact CD2-CG 3.93Å; W162-P197 HydrophobicContact CG-CG 4.01Å; W162-P197 HydrophobicContact CZ2-CB 4.26Å; W162-P197 HydrophobicContact CZ2-CG 4.36Å
163	A	72.1	Confident	65.9	Low	27 Å²	27	77.6 Å²	77.6	22%	0.223	45%	0.447	C	S	.	.	H	α-helix	trans	-60.2	-23.7	175.9	0	0	0	0	0	113	I159 H160 R193	I159-A163 PolarHBondContact O-N 2.86Å; H160-A163 PolarHBondContact O-N 2.73Å; A163-R193 WeakPolarHBondContact CA-O 3.4Å
164	G	62.8	Low	63.5	Low	55 Å²	55	79.9 Å²	79.9	57%	0.567	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-12.5	177.7	0	0	0	0	0	115.8	H160 K161 W162	H160-G164 PolarHBondContact O-N 3.02Å; K161-G164 PolarHBondContact O-N 3.15Å; K161-G164 VanDerWaalsContact O-N 3.12Å; W162-G164 PolarHBondContact O-N 2.93Å; W162-G164 VanDerWaalsContact O-N 3.13Å
165	I	56	Low	61.2	Low	62 Å²	62	88.8 Å²	88.8	32%	0.318	51%	0.505	S	S	.	.			trans	-91.1	111.7	-176.6	-63.7	161.2	0	0	0	109.8	K161 W162 Y167	K161-I165 HydrophobicContact CG-CD1 4.44Å; K161-I165 WeakPolarHBondContact O-CG1 3.4Å; K161-I165 PolarHBondContact O-N 3.36Å; W162-I165 PolarHBondContact O-N 3.44Å; W162-I165 VanDerWaalsContact O-N 3.11Å; I165-Y167 HydrophobicContact CB-CE2 4.27Å; I165-Y167 HydrophobicContact CG2-CD1 4.45Å; I165-Y167 HydrophobicContact CG2-CD2 3.8Å; I165-Y167 HydrophobicContact CG2-CE1 4.34Å; I165-Y167 HydrophobicContact CG2-CE2 3.67Å; I165-Y167 HydrophobicContact CG2-CG 4.2Å; I165-Y167 PolarHBondContact O-N 2.88Å
166	S	49.2	Very low	59	Low	69 Å²	69	94 Å²	94	48%	0.483	54%	0.541	S	S	.	.			trans	-78	105.9	160.3	55.4	0	0	0	0	108.9	Q168	S166-Q168 PolarHBondContact O-N 2.97Å
167	Y	46.8	Very low	56.7	Low	141 Å²	141	96.2 Å²	96.2	55%	0.553	56%	0.564	S	S	*	*			trans	-72.1	108.8	166.3	-74.4	-85.8	0	0	0	108.7	W162 I165 L169	W162-Y167 HydrophobicContact CH2-CE2 4.08Å; W162-Y167 HydrophobicContact CZ2-CE2 4.45Å; W162-Y167 HydrophobicContact CZ3-CE2 4.18Å; W162-Y167 WeakPolarHBondContact CZ3-OH 3.42Å; I165-Y167 HydrophobicContact CB-CE2 4.27Å; I165-Y167 HydrophobicContact CG2-CD1 4.45Å; I165-Y167 HydrophobicContact CG2-CD2 3.8Å; I165-Y167 HydrophobicContact CG2-CE1 4.34Å; I165-Y167 HydrophobicContact CG2-CE2 3.67Å; I165-Y167 HydrophobicContact CG2-CG 4.2Å; I165-Y167 PolarHBondContact O-N 2.88Å; Y167-L169 PolarHBondContact O-N 3.33Å
168	Q	44.8	Very low	54.7	Low	180 Å²	180	100 Å²	100	84%	0.841	59%	0.587	S	S	*	*			trans	-76.3	114.5	156.9	-74.3	-179.1	-25.8	0	0	106.5	S166	S166-Q168 PolarHBondContact O-N 2.97Å
169	L	44.4	Very low	52.6	Low	149 Å²	149	105.2 Å²	105.2	78%	0.78	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-56.3	138.6	167.5	-77.1	160.6	0	0	0	108.1	Y167 S171	Y167-L169 PolarHBondContact O-N 3.33Å; L169-S171 PolarHBondContact O-N 3.34Å
170	P	37.3	Very low	50.5	Low	118 Å²	118	108.9 Å²	108.9	77%	0.766	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-54.1	118.2	170.3	-19.8	30.4	0	0	0	108	A172	P170-A172 PolarHBondContact O-N 3.49Å; P170-A172 VanDerWaalsContact O-N 3.13Å
171	S	41.9	Very low	48.7	Very low	115 Å²	115	114.8 Å²	114.8	80%	0.804	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-47.8	122.7	172.8	-33.8	0	0	0	0	107.2	L169 S173	L169-S171 PolarHBondContact O-N 3.34Å; S171-S173 PolarHBondContact O-N 3.3Å
172	A	39.3	Very low	46.6	Very low	100 Å²	100	110.8 Å²	110.8	83%	0.826	69%	0.691	S	S	*	*			trans	-48	110.1	176	0	0	0	0	0	108.3	P170 S174	P170-A172 PolarHBondContact O-N 3.49Å; P170-A172 VanDerWaalsContact O-N 3.13Å; A172-S174 PolarHBondContact O-N 3Å
173	S	40.9	Very low	44.4	Very low	104 Å²	104	113.2 Å²	113.2	73%	0.727	72%	0.72	S	S	*	*			trans	-59.3	107.3	170.6	41.2	0	0	0	0	106.6	S171	S171-S173 PolarHBondContact O-N 3.3Å
174	S	35.8	Very low	43.2	Very low	95 Å²	95	116.8 Å²	116.8	66%	0.664	74%	0.743	S	S	*	*			trans	33.5	107.1	140.5	51.9	0	0	0	0	116.1	A172	A172-S174 PolarHBondContact O-N 3Å
175	E	36	Very low	42	Very low	188 Å²	188	119.8 Å²	119.8	88%	0.879	76%	0.756	S	S	*	*			trans	-171	138.1	131	-102	161.3	-146.6	0	0	111.7
176	S	41.1	Very low	41.1	Very low	109 Å²	109	122.2 Å²	122.2	76%	0.762	78%	0.777	S	S	*	*			trans	75.6	84.5	163.2	63.6	0	0	0	0	120	V178	S176-V178 PolarHBondContact O-N 2.98Å
177	S	37	Very low	40.8	Very low	118 Å²	118	128.9 Å²	128.9	83%	0.825	79%	0.792	S	S	*	*				3.9	104.4	129.5	48.9	0	0	0	0	118.5
178	V	45	Very low	40.3	Very low	139 Å²	139	128.5 Å²	128.5	84%	0.842	81%	0.806	S	S	*	*			trans	-147	127.1	136.8	-179	0	0	0	0	109.1	S176	S176-V178 PolarHBondContact O-N 2.98Å
179	S	41.9	Very low	40.2	Very low	121 Å²	121	123.6 Å²	123.6	85%	0.846	79%	0.792	S	S	*	*			trans	-57.1	132.5	176.5	38.5	0	0	0	0	114.8
180	G	42.1	Very low	40.1	Very low	78 Å²	78	124.1 Å²	124.1	80%	0.804	80%	0.795	S	S	*	*			trans	-172.3	88.5	167.8	0	0	0	0	0	111.9
181	Q	43.1	Very low	40.4	Very low	211 Å²	211	124.2 Å²	124.2	99%	0.986	79%	0.794	S	S	*	*			trans	-70.4	133.2	170.7	-73.7	172.1	-25.9	0	0	110
182	G	38.5	Very low	40.8	Very low	71 Å²	71	122.9 Å²	122.9	73%	0.732	78%	0.778	S	S	*	*			trans	172.5	58.1	174.8	0	0	0	0	0	116.4
183	S	37.5	Very low	41.8	Very low	128 Å²	128	125.2 Å²	125.2	90%	0.895	77%	0.765	S	S	*	*			trans	24.8	103.8	148.2	-52	0	0	0	0	120.3
184	S	45.2	Very low	43.1	Very low	101 Å²	101	122.5 Å²	122.5	71%	0.706	74%	0.744	S	S	*	*			trans	-149.3	107.7	141.9	65.1	0	0	0	0	111	C186	S184-C186 PolarHBondContact O-N 2.87Å
185	S	38.9	Very low	45.2	Very low	119 Å²	119	120.5 Å²	120.5	83%	0.832	73%	0.725	S	S	*	*			trans	-62.4	95.9	171.8	150.7	0	0	0	0	110.3
186	C	36.5	Very low	47.5	Very low	112 Å²	112	111.6 Å²	111.6	76%	0.757	68%	0.683	S	S	*	*			trans	-103.2	107.6	165.6	-67	0	0	0	0	108.3	S184	S184-C186 PolarHBondContact O-N 2.87Å
187	R	41.9	Very low	49.7	Very low	210 Å²	210	108.1 Å²	108.1	79%	0.792	66%	0.658	S	S	*	*			trans	-57	135.1	175.4	-72	178.4	168.5	-170	-4	110.2	S189	R187-S189 VanDerWaalsContact C-N 3.32Å; R187-S189 PolarHBondContact O-N 2.79Å
188	P	38	Very low	51.9	Low	133 Å²	133	106.9 Å²	106.9	86%	0.864	64%	0.641	S	S	*	*			trans	-79.6	84.1	177.1	32.5	-31.1	0	0	0	108.8
189	S	41.3	Very low	53.9	Low	76 Å²	76	103.1 Å²	103.1	53%	0.531	62%	0.62	S	S	.	*			trans	-136.6	119.7	174.2	31.4	0	0	0	0	108.3	R187	R187-S189 VanDerWaalsContact C-N 3.32Å; R187-S189 PolarHBondContact O-N 2.79Å
190	D	43.3	Very low	55.9	Low	160 Å²	160	106.5 Å²	106.5	86%	0.856	61%	0.614	S	S	*	*			trans	91.8	26.4	164	-49.3	-32.4	0	0	0	119.5	N192	D190-N192 PolarHBondContact O-N 2.91Å
191	T	43.4	Very low	57.5	Low	120 Å²	120	104.8 Å²	104.8	74%	0.736	59%	0.59	S	S	*	*			trans	-80.8	114.6	170.7	47	0	0	0	0	112.4
192	N	51	Low	59	Low	88 Å²	88	99.9 Å²	99.9	47%	0.471	57%	0.574	S	S	.	*	S	Bend	trans	75.2	30.9	157.8	-70.6	-26.3	0	0	0	121.4	D190 Q195	D190-N192 PolarHBondContact O-N 2.91Å; N192-Q195 PolarHBondContact OD1-NE2 3.44Å
193	R	58.7	Low	60.4	Low	148 Å²	148	97 Å²	97	56%	0.558	54%	0.542	S	S	*	.	S	Bend	trans	-89.2	2.1	176.7	-70.8	-171.7	178.2	-174.2	-2.1	116.4	A163	A163-R193 WeakPolarHBondContact CA-O 3.4Å
194	T	70	Confident	61.6	Low	48 Å²	48	96.7 Å²	96.7	29%	0.294	54%	0.535	S	S	.	.	S	Bend	trans	-144.6	40.3	-159.7	40.9	0	0	0	0	112.6	T202 Y203	T194-T202 CarbonylContact O-C 3.38Å; T194-T202 WeakPolarHBondContact O-CA 3.27Å; T194-Y203 WeakPolarHBondContact CB-O 3.27Å; T194-Y203 WeakPolarHBondContact CG2-O 3.37Å; T194-Y203 VanDerWaalsContact O-CD1 3.27Å; T194-Y203 WeakPolarHBondContact O-CD1 3.43Å; T194-Y203 PolarHBondContact O-N 3.43Å
195	Q	79.9	Confident	62.4	Low	53 Å²	53	95.7 Å²	95.7	25%	0.248	52%	0.521	C	S	.	.	B	Isolated β-bridge	trans	-116.9	137.1	-177.3	-73.4	178.5	-1.8	0	0	112	W162 N192 P197 R200 S201 T202 Y203	W162-Q195 PolarHBondContact NE1-O 2.82Å; N192-Q195 PolarHBondContact OD1-NE2 3.44Å; Q195-P197 WeakPolarHBondContact O-CD 3.37Å; Q195-R200 WeakPolarHBondContact CG-O 3.36Å; Q195-S201 WeakPolarHBondContact CA-O 3.34Å; Q195-T202 HydrophobicContact CG-CG2 3.93Å; Q195-Y203 VanDerWaalsContact C-CE1 3.47Å
196	C	84	Confident	63.4	Low	1 Å²	1	91.3 Å²	91.3	1%	0.007	49%	0.489	C	S	.	.			trans	-57.6	129	172.2	174.6	0	0	0	0	110.4	L148 C150 H152 I198 C199 R200 S201	L148-C196 HydrophobicContact CD1-CB 3.77Å; C150-C196 VanDerWaalsContact SG-CB 3.56Å; C150-C196 PolarHBondContact SG-SG 3.44Å; H152-C196 PolarHBondContact ND1-SG 2.91Å; C196-I198 PolarHBondContact O-N 2.91Å; C196-I198 VanDerWaalsContact O-N 3.16Å; C196-I198 PolarHBondContact SG-N 3.23Å; C196-I198 VanDerWaalsContact SG-N 3.36Å; C196-C199 VanDerWaalsContact SG-SG 3.66Å; C196-R200 WeakPolarHBondContact O-CA 3.29Å; C196-R200 PolarHBondContact O-N 3.13Å; C196-S201 WeakPolarHBondContact CB-OG 3.43Å; C196-S201 PolarHBondContact N-O 3.26Å
197	P	86.1	Confident	64.3	Low	36 Å²	36	90.3 Å²	90.3	23%	0.234	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.9	176	-26.3	31.8	0	0	0	114.9	I138 F154 I159 W162 Q195	I138-P197 HydrophobicContact CD1-CB 4.5Å; I138-P197 HydrophobicContact CD1-CG 3.98Å; F154-P197 HydrophobicContact CD1-CG 4.36Å; F154-P197 HydrophobicContact CE1-CB 3.86Å; F154-P197 HydrophobicContact CE1-CG 3.74Å; F154-P197 HydrophobicContact CE2-CG 4.4Å; F154-P197 HydrophobicContact CZ-CB 4Å; F154-P197 HydrophobicContact CZ-CG 3.78Å; I159-P197 HydrophobicContact CD1-CG 4.13Å; W162-P197 HydrophobicContact CD2-CG 3.93Å; W162-P197 HydrophobicContact CG-CG 4.01Å; W162-P197 HydrophobicContact CZ2-CB 4.26Å; W162-P197 HydrophobicContact CZ2-CG 4.36Å; Q195-P197 WeakPolarHBondContact O-CD 3.37Å
198	I	84.6	Confident	65	Low	91 Å²	91	83.6 Å²	83.6	47%	0.467	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-59.6	-176.1	-62.4	173.2	0	0	0	111	H152 F154 C196	H152-I198 HydrophobicContact CB-CD1 4.02Å; H152-I198 VanDerWaalsContact CD2-CD1 3.45Å; H152-I198 WeakPolarHBondContact CD2-CD1 3.5Å; H152-I198 VanDerWaalsContact NE2-CG2 3.34Å; H152-I198 WeakPolarHBondContact NE2-CG2 3.31Å; F154-I198 HydrophobicContact CE1-CD1 4Å; F154-I198 HydrophobicContact CE1-CG1 4.09Å; F154-I198 HydrophobicContact CZ-CD1 3.82Å; F154-I198 HydrophobicContact CZ-CG1 3.88Å; C196-I198 PolarHBondContact O-N 2.91Å; C196-I198 VanDerWaalsContact O-N 3.16Å; C196-I198 PolarHBondContact SG-N 3.23Å; C196-I198 VanDerWaalsContact SG-N 3.36Å
199	C	87	Confident	66.1	Low	60 Å²	60	78.3 Å²	78.3	41%	0.405	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-1.8	-173.1	67.8	0	0	0	0	115.1	H152 C196 S201	H152-C199 PolarHBondContact ND1-SG 3.5Å; C196-C199 VanDerWaalsContact SG-SG 3.66Å; C199-S201 PolarHBondContact O-N 3.13Å; C199-S201 PolarHBondContact SG-OG 3.14Å
200	R	82.6	Confident	67.3	Low	193 Å²	193	83.4 Å²	83.4	73%	0.728	44%	0.44	S	S	*	.			trans	60.4	11	-178.3	-53.2	-178.2	179.1	-177.7	-1.3	115.6	Q195 C196 T202	Q195-R200 WeakPolarHBondContact CG-O 3.36Å; C196-R200 WeakPolarHBondContact O-CA 3.29Å; C196-R200 PolarHBondContact O-N 3.13Å; R200-T202 PolarHBondContact O-N 2.73Å
201	S	76.9	Confident	68.3	Low	42 Å²	42	83 Å²	83	29%	0.294	43%	0.433	S	S	.	.			trans	-57.7	135.4	172.1	63.7	0	0	0	0	110.4	C150 Q195 C196 C199	C150-S201 WeakPolarHBondContact CB-OG 3.27Å; C150-S201 PolarHBondContact SG-OG 3.11Å; Q195-S201 WeakPolarHBondContact CA-O 3.34Å; C196-S201 WeakPolarHBondContact CB-OG 3.43Å; C196-S201 PolarHBondContact N-O 3.26Å; C199-S201 PolarHBondContact O-N 3.13Å; C199-S201 PolarHBondContact SG-OG 3.14Å
202	T	74.8	Confident	69.2	Low	107 Å²	107	81.5 Å²	81.5	66%	0.656	42%	0.42	S	S	*	.	B	Isolated β-bridge	trans	-75.4	141.8	178	49.5	0	0	0	0	111.5	T194 Q195 R200	T194-T202 CarbonylContact O-C 3.38Å; T194-T202 WeakPolarHBondContact O-CA 3.27Å; Q195-T202 HydrophobicContact CG-CG2 3.93Å; R200-T202 PolarHBondContact O-N 2.73Å
203	Y	67.2	Low	69.6	Low	12 Å²	12	84.2 Å²	84.2	5%	0.047	43%	0.433	C	S	.	.			trans	-137.5	128.5	175.8	64.3	-91	0	0	0	110.5	L148 T194 Q195 N205 T206	L148-Y203 HydrophobicContact CD1-CD1 4.01Å; L148-Y203 HydrophobicContact CD1-CE1 3.82Å; L148-Y203 HydrophobicContact CD2-CD1 4.24Å; L148-Y203 HydrophobicContact CD2-CD2 4.25Å; L148-Y203 HydrophobicContact CD2-CE1 4.14Å; L148-Y203 HydrophobicContact CD2-CE2 4.17Å; L148-Y203 HydrophobicContact CD2-CG 4.3Å; T194-Y203 WeakPolarHBondContact CB-O 3.27Å; T194-Y203 WeakPolarHBondContact CG2-O 3.37Å; T194-Y203 VanDerWaalsContact O-CD1 3.27Å; T194-Y203 WeakPolarHBondContact O-CD1 3.43Å; T194-Y203 PolarHBondContact O-N 3.43Å; Q195-Y203 VanDerWaalsContact C-CE1 3.47Å; Y203-N205 VanDerWaalsContact C-N 3.32Å; Y203-N205 PolarHBondContact O-N 3Å; Y203-T206 HydrophobicContact CE2-CG2 4.12Å
204	T	63	Low	69.4	Low	121 Å²	121	79.3 Å²	79.3	74%	0.742	43%	0.428	S	S	*	.	S	Bend	trans	-66.6	-30.4	-167	51.5	0	0	0	0	114.3
205	N	61.5	Low	68.7	Low	80 Å²	80	82.6 Å²	82.6	43%	0.428	45%	0.448	S	S	.	.			trans	-170.7	154.6	176.6	-175	-14.5	0	0	0	108.5	Y203 S207 T208	Y203-N205 VanDerWaalsContact C-N 3.32Å; Y203-N205 PolarHBondContact O-N 3Å; N205-S207 WeakPolarHBondContact CB-OG 3.41Å; N205-S207 PolarHBondContact O-N 3.44Å; N205-S207 VanDerWaalsContact O-N 3.11Å; N205-S207 PolarHBondContact OD1-N 2.64Å; N205-S207 VanDerWaalsContact OD1-N 3.09Å; N205-T208 PolarHBondContact O-N 3.39Å; N205-T208 VanDerWaalsContact O-N 3.1Å; N205-T208 PolarHBondContact O-OG1 3.03Å
206	T	59.7	Low	67.5	Low	26 Å²	26	84.3 Å²	84.3	16%	0.16	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-60.8	-8.9	165.4	55.2	0	0	0	0	112.4	I159 H160 Y203 T208 S209	I159-T206 HydrophobicContact CG2-CG2 4.42Å; H160-T206 PolarHBondContact NE2-OG1 3.39Å; Y203-T206 HydrophobicContact CE2-CG2 4.12Å; T206-T208 PolarHBondContact O-N 3.23Å; T206-T208 VanDerWaalsContact O-N 3.07Å; T206-S209 WeakPolarHBondContact CA-OG 3.44Å; T206-S209 WeakPolarHBondContact CB-OG 3.41Å; T206-S209 PolarHBondContact O-N 2.89Å; T206-S209 PolarHBondContact O-OG 2.88Å
207	S	56.2	Low	66.4	Low	92 Å²	92	87.4 Å²	87.4	64%	0.643	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-61.6	-13.8	167.2	73	0	0	0	0	114.3	N205	N205-S207 WeakPolarHBondContact CB-OG 3.41Å; N205-S207 PolarHBondContact O-N 3.44Å; N205-S207 VanDerWaalsContact O-N 3.11Å; N205-S207 PolarHBondContact OD1-N 2.64Å; N205-S207 VanDerWaalsContact OD1-N 3.09Å
208	T	55.3	Low	65.3	Low	68 Å²	68	89.4 Å²	89.4	42%	0.417	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-106.3	0.9	172.5	60.6	0	0	0	0	112.9	N205 T206	N205-T208 PolarHBondContact O-N 3.39Å; N205-T208 VanDerWaalsContact O-N 3.1Å; N205-T208 PolarHBondContact O-OG1 3.03Å; T206-T208 PolarHBondContact O-N 3.23Å; T206-T208 VanDerWaalsContact O-N 3.07Å
209	S	61	Low	64.5	Low	22 Å²	22	93.7 Å²	93.7	15%	0.154	51%	0.507	C	S	.	.	S	Bend	trans	-79.6	146.1	171.1	55	0	0	0	0	110.3	T146 V147 T206	T146-S209 WeakPolarHBondContact CG2-OG 3.32Å; V147-S209 CarbonylContact O-C 3.55Å; V147-S209 VanDerWaalsContact O-CA 3.24Å; V147-S209 WeakPolarHBondContact O-CA 3.5Å; V147-S209 WeakPolarHBondContact O-CB 3.2Å; T206-S209 WeakPolarHBondContact CA-OG 3.44Å; T206-S209 WeakPolarHBondContact CB-OG 3.41Å; T206-S209 PolarHBondContact O-N 2.89Å; T206-S209 PolarHBondContact O-OG 2.88Å
210	W	68	Low	63.9	Low	183 Å²	183	94 Å²	94	69%	0.693	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	122.2	173.3	-58.2	92.4	0	0	0	107.9	V147 L212	V147-W210 HydrophobicContact CB-CB 4.38Å; V147-W210 PolarHBondContact N-O 3.19Å; V147-W210 PolarHBondContact O-N 3.42Å; W210-L212 PolarHBondContact O-N 3.49Å
211	E	64.4	Low	63.8	Low	152 Å²	152	87 Å²	87	71%	0.71	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	121.8	164.1	-74.1	-178.4	173.9	0	0	107.5	D145 I213	D145-E211 CarbonylContact O-C 3.58Å; D145-E211 WeakPolarHBondContact O-CA 3.31Å; E211-I213 VanDerWaalsContact C-N 3.29Å; E211-I213 PolarHBondContact O-N 3.49Å
212	L	61.1	Low	64.3	Low	88 Å²	88	90.1 Å²	90.1	46%	0.461	49%	0.485	S	S	.	.			trans	-68.4	95.8	169.9	-71.4	168.3	0	0	0	106.8	P144 D145 V147 W210 G214	P144-L212 WeakPolarHBondContact O-CD1 3.26Å; D145-L212 PolarHBondContact O-N 2.86Å; V147-L212 HydrophobicContact CG2-CD1 3.63Å; V147-L212 HydrophobicContact CG2-CD2 3.83Å; V147-L212 HydrophobicContact CG2-CG 3.63Å; W210-L212 PolarHBondContact O-N 3.49Å; L212-G214 PolarHBondContact O-N 3.36Å
213	I	59.4	Low	64.8	Low	146 Å²	146	92 Å²	92	75%	0.749	48%	0.481	S	S	*	.			trans	-70	91.7	162.2	-53.5	173.9	0	0	0	104.2	E211 T215	E211-I213 VanDerWaalsContact C-N 3.29Å; E211-I213 PolarHBondContact O-N 3.49Å; I213-T215 PolarHBondContact O-N 3.01Å
214	G	55.5	Low	65.8	Low	44 Å²	44	95.3 Å²	95.3	45%	0.454	50%	0.497	S	S	.	.			trans	-44.9	138.1	177.7	0	0	0	0	0	109.4	L212 Q216	L212-G214 PolarHBondContact O-N 3.36Å; G214-Q216 VanDerWaalsContact C-N 3.34Å; G214-Q216 PolarHBondContact O-N 3.36Å
215	T	54	Low	67.1	Low	117 Å²	117	89.9 Å²	89.9	72%	0.718	46%	0.463	S	S	*	.			trans	-59.2	105.4	174.4	56.2	0	0	0	0	106.7	I213 S217	I213-T215 PolarHBondContact O-N 3.01Å; T215-S217 PolarHBondContact O-N 2.85Å
216	Q	54.6	Low	68.7	Low	89 Å²	89	86.2 Å²	86.2	42%	0.416	44%	0.444	S	S	.	.			trans	-60.7	131.7	178.1	-66.7	178.7	6	0	0	106.4	G214 N220	G214-Q216 VanDerWaalsContact C-N 3.34Å; G214-Q216 PolarHBondContact O-N 3.36Å; Q216-N220 HydrophobicContact CB-CB 4.26Å
217	S	61	Low	70.1	Confident	66 Å²	66	85.8 Å²	85.8	46%	0.462	44%	0.444	S	S	.	.			trans	-45.2	143.1	-178.5	70.7	0	0	0	0	110.6	T215 K219 N220 H221	T215-S217 PolarHBondContact O-N 2.85Å; S217-K219 CarbonylContact O-C 3.59Å; S217-K219 PolarHBondContact O-N 2.95Å; S217-N220 WeakPolarHBondContact O-CA 3.44Å; S217-N220 WeakPolarHBondContact O-CB 3.44Å; S217-N220 PolarHBondContact O-N 3.49Å; S217-N220 PolarHBondContact OG-N 3.28Å; S217-H221 PolarHBondContact O-N 3.01Å; S217-H221 VanDerWaalsContact O-N 3.09Å
218	P	64	Low	71.8	Confident	79 Å²	79	85.1 Å²	85.1	51%	0.513	43%	0.433	S	S	.	.	H	α-helix	trans	-51.3	-32.7	-178.1	-29.3	34.3	0	0	0	113.2	H221 R222	P218-H221 PolarHBondContact O-N 2.96Å; P218-R222 WeakPolarHBondContact O-CB 3.33Å; P218-R222 PolarHBondContact O-N 2.64Å
219	K	68.2	Low	73.7	Confident	181 Å²	181	81.9 Å²	81.9	79%	0.787	41%	0.413	S	S	*	.	H	α-helix	trans	-61.5	-43.6	173.2	-67.8	-174.9	179.2	179.8	0	112.7	S217 Y223	S217-K219 CarbonylContact O-C 3.59Å; S217-K219 PolarHBondContact O-N 2.95Å; K219-Y223 VanDerWaalsContact O-CB 3.25Å; K219-Y223 WeakPolarHBondContact O-CB 3.34Å; K219-Y223 PolarHBondContact O-N 2.83Å
220	N	74.2	Confident	75.3	Confident	65 Å²	65	82.3 Å²	82.3	35%	0.348	41%	0.413	S	S	.	.	H	α-helix	trans	-68.9	-39.8	178	-165.5	0.4	0	0	0	111.4	Q216 S217 Y223 Q224	Q216-N220 HydrophobicContact CB-CB 4.26Å; S217-N220 WeakPolarHBondContact O-CA 3.44Å; S217-N220 WeakPolarHBondContact O-CB 3.44Å; S217-N220 PolarHBondContact O-N 3.49Å; S217-N220 PolarHBondContact OG-N 3.28Å; N220-Y223 PolarHBondContact O-N 3.42Å; N220-Q224 WeakPolarHBondContact O-CG 3.45Å; N220-Q224 PolarHBondContact O-N 3.24Å; N220-Q224 PolarHBondContact OD1-NE2 3Å
221	H	79.7	Confident	76.4	Confident	48 Å²	48	80.6 Å²	80.6	22%	0.222	41%	0.407	C	S	.	.	H	α-helix	trans	-63.2	-48.9	176.2	-177.5	-125.8	0	0	0	112.3	Q121 S217 P218 Y223 Q224 I225	Q121-H221 VanDerWaalsContact CD-CE1 3.45Å; Q121-H221 VanDerWaalsContact CD-ND1 3.28Å; Q121-H221 WeakPolarHBondContact CG-ND1 3.31Å; Q121-H221 PolarHBondContact NE2-CE1 3.49Å; Q121-H221 PolarHBondContact NE2-ND1 3.18Å; S217-H221 PolarHBondContact O-N 3.01Å; S217-H221 VanDerWaalsContact O-N 3.09Å; P218-H221 PolarHBondContact O-N 2.96Å; H221-Y223 VanDerWaalsContact C-N 3.3Å; H221-Y223 PolarHBondContact O-N 3.37Å; H221-Q224 PolarHBondContact O-N 3.2Å; H221-Q224 VanDerWaalsContact O-N 3.15Å; H221-I225 WeakPolarHBondContact CE1-CD1 3.36Å; H221-I225 VanDerWaalsContact NE2-CD1 3.32Å; H221-I225 WeakPolarHBondContact NE2-CD1 3.44Å; H221-I225 PolarHBondContact O-N 2.77Å
222	R	86.8	Confident	77.8	Confident	107 Å²	107	75.3 Å²	75.3	40%	0.404	38%	0.383	S	S	.	.	H	α-helix	trans	-59.3	-42	175.4	-176.1	174	176.7	179.2	-4.6	111.7	T56 T57 I118 P218 S226	T56-R222 PolarHBondContact O-NH2 3.2Å; T57-R222 PolarHBondContact O-NE 3.16Å; T57-R222 PolarHBondContact O-NH2 3.01Å; I118-R222 HydrophobicContact CD1-CG 4.28Å; I118-R222 HydrophobicContact CG2-CG 4.38Å; P218-R222 WeakPolarHBondContact O-CB 3.33Å; P218-R222 PolarHBondContact O-N 2.64Å; R222-S226 VanDerWaalsContact O-CB 3.31Å; R222-S226 WeakPolarHBondContact O-CB 3.45Å; R222-S226 PolarHBondContact O-N 3.49Å; R222-S226 PolarHBondContact O-OG 3.2Å
223	Y	87.2	Confident	79.4	Confident	146 Å²	146	71.1 Å²	71.1	57%	0.573	36%	0.361	S	S	*	.	H	α-helix	trans	-60.6	-45.5	174.6	-177.3	-90.6	0	0	0	111.5	Q61 K219 N220 H221 S226 G227	Q61-Y223 HydrophobicContact CG-CD2 4.49Å; Q61-Y223 HydrophobicContact CG-CE2 4.11Å; Q61-Y223 VanDerWaalsContact NE2-CG 3.25Å; Q61-Y223 PolarHBondContact NE2-O 3.47Å; K219-Y223 VanDerWaalsContact O-CB 3.25Å; K219-Y223 WeakPolarHBondContact O-CB 3.34Å; K219-Y223 PolarHBondContact O-N 2.83Å; N220-Y223 PolarHBondContact O-N 3.42Å; H221-Y223 VanDerWaalsContact C-N 3.3Å; H221-Y223 PolarHBondContact O-N 3.37Å; Y223-S226 PolarHBondContact O-N 3.38Å; Y223-G227 PolarHBondContact O-N 3Å
224	Q	86.4	Confident	80.9	Confident	82 Å²	82	65.5 Å²	65.5	38%	0.383	34%	0.335	S	S	.	.	H	α-helix	trans	-65.5	-45.6	179.1	-75.5	179.3	45.1	0	0	113.2	N220 H221 S226 G227 I228	N220-Q224 WeakPolarHBondContact O-CG 3.45Å; N220-Q224 PolarHBondContact O-N 3.24Å; N220-Q224 PolarHBondContact OD1-NE2 3Å; H221-Q224 PolarHBondContact O-N 3.2Å; H221-Q224 VanDerWaalsContact O-N 3.15Å; Q224-S226 VanDerWaalsContact C-N 3.28Å; Q224-S226 PolarHBondContact O-N 3.06Å; Q224-G227 PolarHBondContact O-N 3.27Å; Q224-I228 WeakPolarHBondContact O-CG1 3.34Å; Q224-I228 PolarHBondContact O-N 3.45Å
225	I	91.5	Very high	82.6	Confident	6 Å²	6	72.4 Å²	72.4	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-58.6	-44.5	175.2	-69.6	179	0	0	0	110.4	F58 F114 L117 I118 H221 G227 I228 V229	F58-I225 HydrophobicContact CD1-CG2 4.48Å; F58-I225 HydrophobicContact CE1-CG2 4.05Å; F114-I225 HydrophobicContact CB-CG2 3.88Å; F114-I225 HydrophobicContact CD1-CG2 3.76Å; F114-I225 HydrophobicContact CG-CG2 4.13Å; L117-I225 HydrophobicContact CB-CD1 3.98Å; I118-I225 HydrophobicContact CD1-CB 4.16Å; I118-I225 HydrophobicContact CD1-CG2 3.72Å; I118-I225 HydrophobicContact CG1-CB 4.17Å; I118-I225 HydrophobicContact CG1-CD1 3.67Å; I118-I225 HydrophobicContact CG1-CG2 3.94Å; H221-I225 WeakPolarHBondContact CE1-CD1 3.36Å; H221-I225 VanDerWaalsContact NE2-CD1 3.32Å; H221-I225 WeakPolarHBondContact NE2-CD1 3.44Å; H221-I225 PolarHBondContact O-N 2.77Å; I225-G227 VanDerWaalsContact C-N 3.27Å; I225-G227 PolarHBondContact O-N 3.11Å; I225-I228 WeakPolarHBondContact O-CB 3.16Å; I225-I228 PolarHBondContact O-N 3.36Å; I225-I228 VanDerWaalsContact O-N 3.07Å; I225-V229 HydrophobicContact CG2-CG2 4.26Å; I225-V229 WeakPolarHBondContact O-CG2 3.24Å; I225-V229 PolarHBondContact O-N 2.87Å
226	S	93.8	Very high	84.3	Confident	3 Å²	3	68.7 Å²	68.7	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-60.2	-37.8	179.2	-56.2	0	0	0	0	112	F58 R222 Y223 Q224 V229 L230	F58-S226 WeakPolarHBondContact CA-OG 3.39Å; F58-S226 VanDerWaalsContact O-CB 3.28Å; F58-S226 WeakPolarHBondContact O-CB 3.48Å; F58-S226 PolarHBondContact O-OG 2.77Å; F58-S226 VanDerWaalsContact O-OG 3.12Å; R222-S226 VanDerWaalsContact O-CB 3.31Å; R222-S226 WeakPolarHBondContact O-CB 3.45Å; R222-S226 PolarHBondContact O-N 3.49Å; R222-S226 PolarHBondContact O-OG 3.2Å; Y223-S226 PolarHBondContact O-N 3.38Å; Q224-S226 VanDerWaalsContact C-N 3.28Å; Q224-S226 PolarHBondContact O-N 3.06Å; S226-V229 PolarHBondContact O-N 2.93Å; S226-L230 WeakPolarHBondContact O-CB 3.15Å; S226-L230 PolarHBondContact O-N 3.09Å
227	G	90.5	Very high	86.1	Confident	17 Å²	17	65.5 Å²	65.5	18%	0.175	32%	0.316	C	S	.	.	H	α-helix	trans	-68.4	-35.9	174.2	0	0	0	0	0	113.7	Y223 Q224 I225 R231	Y223-G227 PolarHBondContact O-N 3Å; Q224-G227 PolarHBondContact O-N 3.27Å; I225-G227 VanDerWaalsContact C-N 3.27Å; I225-G227 PolarHBondContact O-N 3.11Å; G227-R231 WeakPolarHBondContact O-CB 3.37Å; G227-R231 PolarHBondContact O-N 3.13Å
228	I	91.6	Very high	87.7	Confident	78 Å²	78	69.4 Å²	69.4	40%	0.4	32%	0.32	S	S	.	.	H	α-helix	trans	-64.7	-45.9	172.9	-65.6	166.6	0	0	0	110.1	F114 Q224 I225 R231 L232	F114-I228 HydrophobicContact CE1-CG2 3.86Å; F114-I228 HydrophobicContact CE2-CG2 4.16Å; F114-I228 HydrophobicContact CZ-CG2 3.47Å; F114-I228 VanDerWaalsContact CZ-CG2 3.47Å; Q224-I228 WeakPolarHBondContact O-CG1 3.34Å; Q224-I228 PolarHBondContact O-N 3.45Å; I225-I228 WeakPolarHBondContact O-CB 3.16Å; I225-I228 PolarHBondContact O-N 3.36Å; I225-I228 VanDerWaalsContact O-N 3.07Å; I228-R231 WeakPolarHBondContact O-CB 3.14Å; I228-R231 PolarHBondContact O-N 3.16Å; I228-L232 WeakPolarHBondContact O-CB 3.48Å; I228-L232 PolarHBondContact O-N 3.46Å
229	V	94.9	Very high	89.1	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61.5	-47.8	177.7	169.9	0	0	0	0	111.3	F58 I111 F114 I225 S226 R231 L232 I233	F58-V229 HydrophobicContact CD1-CB 4.3Å; F58-V229 HydrophobicContact CD1-CG1 4.45Å; F58-V229 HydrophobicContact CD1-CG2 4.05Å; F58-V229 HydrophobicContact CD2-CG1 4.16Å; F58-V229 HydrophobicContact CE1-CB 4.36Å; F58-V229 HydrophobicContact CE1-CG2 3.66Å; F58-V229 HydrophobicContact CE2-CG1 4.22Å; F58-V229 HydrophobicContact CG-CG1 4.29Å; F58-V229 HydrophobicContact CZ-CG1 4.38Å; F58-V229 HydrophobicContact CZ-CG2 3.96Å; I111-V229 HydrophobicContact CG1-CG1 4.22Å; F114-V229 HydrophobicContact CB-CG2 3.72Å; F114-V229 HydrophobicContact CD1-CG2 4.5Å; F114-V229 HydrophobicContact CD2-CG2 3.71Å; F114-V229 HydrophobicContact CE2-CG2 4.46Å; F114-V229 HydrophobicContact CG-CG2 3.73Å; I225-V229 HydrophobicContact CG2-CG2 4.26Å; I225-V229 WeakPolarHBondContact O-CG2 3.24Å; I225-V229 PolarHBondContact O-N 2.87Å; S226-V229 PolarHBondContact O-N 2.93Å; V229-R231 VanDerWaalsContact C-N 3.26Å; V229-R231 PolarHBondContact O-N 3.07Å; V229-L232 WeakPolarHBondContact O-CB 3.29Å; V229-L232 PolarHBondContact O-N 3.43Å; V229-L232 VanDerWaalsContact O-N 3.15Å; V229-I233 HydrophobicContact CG1-CD1 3.79Å; V229-I233 HydrophobicContact CG1-CG1 4.42Å; V229-I233 WeakPolarHBondContact O-CG1 3.43Å; V229-I233 PolarHBondContact O-N 2.77Å
230	L	94.1	Very high	90.2	Very high	31 Å²	31	62.9 Å²	62.9	16%	0.162	30%	0.297	C	S	.	.	H	α-helix	trans	-57.9	-41.6	175.8	178.9	65.1	0	0	0	111.6	Q61 I64 V65 I88 S226 I233 S234	Q61-L230 WeakPolarHBondContact O-CD2 3.47Å; I64-L230 HydrophobicContact CD1-CD1 4.25Å; I64-L230 HydrophobicContact CG1-CD1 4.41Å; V65-L230 HydrophobicContact CG2-CD1 3.7Å; I88-L230 HydrophobicContact CG2-CD1 4.27Å; S226-L230 WeakPolarHBondContact O-CB 3.15Å; S226-L230 PolarHBondContact O-N 3.09Å; L230-I233 PolarHBondContact O-N 2.89Å; L230-S234 VanDerWaalsContact O-CB 3.26Å; L230-S234 WeakPolarHBondContact O-CB 3.48Å; L230-S234 PolarHBondContact O-N 3.11Å; L230-S234 PolarHBondContact O-OG 3.42Å
231	R	92.4	Very high	90.7	Very high	147 Å²	147	67.3 Å²	67.3	56%	0.555	32%	0.321	S	S	*	.	H	α-helix	trans	-66.9	-39	178.3	-172.1	-179.9	-63.9	163.2	1.4	111.9	G227 I228 V229 S234 R235	G227-R231 WeakPolarHBondContact O-CB 3.37Å; G227-R231 PolarHBondContact O-N 3.13Å; I228-R231 WeakPolarHBondContact O-CB 3.14Å; I228-R231 PolarHBondContact O-N 3.16Å; V229-R231 VanDerWaalsContact C-N 3.26Å; V229-R231 PolarHBondContact O-N 3.07Å; R231-S234 PolarHBondContact O-N 3.06Å; R231-R235 WeakPolarHBondContact O-CB 3.27Å; R231-R235 VanDerWaalsContact O-CG 3.29Å; R231-R235 WeakPolarHBondContact O-CG 3.41Å; R231-R235 PolarHBondContact O-N 3.23Å; R231-R235 VanDerWaalsContact O-N 3.15Å
232	L	93.5	Very high	90.8	Very high	41 Å²	41	69.3 Å²	69.3	22%	0.215	34%	0.337	C	S	.	.	H	α-helix	trans	-60.6	-52.8	173.8	175.5	69.9	0	0	0	110.6	L107 E110 F114 I228 V229 S234 R235 T236	L107-L232 HydrophobicContact CD1-CD2 3.72Å; L107-L232 HydrophobicContact CD1-CG 3.74Å; E110-L232 HydrophobicContact CB-CD2 4.02Å; E110-L232 HydrophobicContact CG-CD2 3.41Å; E110-L232 VanDerWaalsContact CG-CD2 3.41Å; F114-L232 HydrophobicContact CE2-CD2 4.27Å; I228-L232 WeakPolarHBondContact O-CB 3.48Å; I228-L232 PolarHBondContact O-N 3.46Å; V229-L232 WeakPolarHBondContact O-CB 3.29Å; V229-L232 PolarHBondContact O-N 3.43Å; V229-L232 VanDerWaalsContact O-N 3.15Å; L232-S234 VanDerWaalsContact C-N 3.28Å; L232-S234 PolarHBondContact O-N 3.09Å; L232-R235 PolarHBondContact O-N 3.36Å; L232-R235 VanDerWaalsContact O-N 3.13Å; L232-T236 HydrophobicContact CD1-CG2 3.78Å; L232-T236 HydrophobicContact CG-CG2 4.34Å; L232-T236 WeakPolarHBondContact O-CB 3.28Å; L232-T236 VanDerWaalsContact O-CG2 3.29Å; L232-T236 WeakPolarHBondContact O-CG2 3.34Å; L232-T236 PolarHBondContact O-N 3.45Å; L232-T236 PolarHBondContact O-OG1 3Å
233	I	94	Very high	90.7	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-58.9	-42.6	178	-63.3	167.8	0	0	0	110.5	V65 F67 I88 L107 I111 V229 L230 R235 T236	V65-I233 HydrophobicContact CG1-CD1 4.23Å; V65-I233 HydrophobicContact CG1-CG2 4.02Å; F67-I233 HydrophobicContact CE1-CG2 4.46Å; F67-I233 HydrophobicContact CE2-CD1 4.36Å; F67-I233 HydrophobicContact CZ-CD1 4.15Å; F67-I233 HydrophobicContact CZ-CG1 4.23Å; F67-I233 HydrophobicContact CZ-CG2 3.87Å; I88-I233 HydrophobicContact CD1-CG2 4.16Å; L107-I233 HydrophobicContact CD1-CG1 4.21Å; L107-I233 HydrophobicContact CD2-CG1 4.43Å; I111-I233 HydrophobicContact CD1-CD1 3.98Å; I111-I233 HydrophobicContact CD1-CG1 4Å; V229-I233 HydrophobicContact CG1-CD1 3.79Å; V229-I233 HydrophobicContact CG1-CG1 4.42Å; V229-I233 WeakPolarHBondContact O-CG1 3.43Å; V229-I233 PolarHBondContact O-N 2.77Å; L230-I233 PolarHBondContact O-N 2.89Å; I233-R235 PolarHBondContact O-N 3.1Å; I233-T236 PolarHBondContact O-OG1 3.38Å
234	S	90.7	Very high	90.3	Very high	29 Å²	29	59.8 Å²	59.8	20%	0.203	30%	0.304	C	S	.	.	H	α-helix	trans	-66.2	-23	-179.6	-62	0	0	0	0	114.1	I88 R97 L230 R231 L232	I88-S234 WeakPolarHBondContact CD1-OG 3.3Å; R97-S234 VanDerWaalsContact CZ-O 3.26Å; R97-S234 PolarHBondContact NE-O 2.87Å; R97-S234 VanDerWaalsContact NE-O 3.13Å; R97-S234 PolarHBondContact NH2-O 3.48Å; L230-S234 VanDerWaalsContact O-CB 3.26Å; L230-S234 WeakPolarHBondContact O-CB 3.48Å; L230-S234 PolarHBondContact O-N 3.11Å; L230-S234 PolarHBondContact O-OG 3.42Å; R231-S234 PolarHBondContact O-N 3.06Å; L232-S234 VanDerWaalsContact C-N 3.28Å; L232-S234 PolarHBondContact O-N 3.09Å
235	R	90.9	Very high	89.3	Confident	188 Å²	188	63.5 Å²	63.5	71%	0.709	32%	0.321	S	S	*	.	H	α-helix	trans	-105.9	-14.8	-175.7	-72.2	179.1	176.8	-177	-2.8	113.8	R231 L232 I233	R231-R235 WeakPolarHBondContact O-CB 3.27Å; R231-R235 VanDerWaalsContact O-CG 3.29Å; R231-R235 WeakPolarHBondContact O-CG 3.41Å; R231-R235 PolarHBondContact O-N 3.23Å; R231-R235 VanDerWaalsContact O-N 3.15Å; L232-R235 PolarHBondContact O-N 3.36Å; L232-R235 VanDerWaalsContact O-N 3.13Å; I233-R235 PolarHBondContact O-N 3.1Å
236	T	91.5	Very high	87.5	Confident	40 Å²	40	65.2 Å²	65.2	25%	0.245	33%	0.332	C	S	.	.	S	Bend	trans	-94.7	159.6	179	51.7	0	0	0	0	110.8	F99 L232 I233	F99-T236 VanDerWaalsContact CE1-C 3.45Å; F99-T236 WeakPolarHBondContact CE1-OG1 3.38Å; F99-T236 WeakPolarHBondContact CZ-O 3.41Å; L232-T236 HydrophobicContact CD1-CG2 3.78Å; L232-T236 HydrophobicContact CG-CG2 4.34Å; L232-T236 WeakPolarHBondContact O-CB 3.28Å; L232-T236 VanDerWaalsContact O-CG2 3.29Å; L232-T236 WeakPolarHBondContact O-CG2 3.34Å; L232-T236 PolarHBondContact O-N 3.45Å; L232-T236 PolarHBondContact O-OG1 3Å; I233-T236 PolarHBondContact O-OG1 3.38Å
237	G	91.7	Very high	84.9	Confident	22 Å²	22	71.6 Å²	71.6	23%	0.227	37%	0.366	C	S	.	.	S	Bend	trans	71.6	170.2	-172.9	0	0	0	0	0	113	I98 F99	I98-G237 WeakPolarHBondContact O-CA 3.44Å; F99-G237 VanDerWaalsContact CE1-N 3.32Å
238	R	94	Very high	82.4	Confident	147 Å²	147	77.1 Å²	77.1	56%	0.555	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	138.1	-179.7	-58.9	-177.1	-172.3	-172.9	2	109.6	R97 I98	R97-R238 CarbonylContact C-O 3.58Å; R97-R238 VanDerWaalsContact CA-O 3.26Å; R97-R238 WeakPolarHBondContact CA-O 3.47Å; I98-R238 PolarHBondContact N-O 2.9Å; I98-R238 PolarHBondContact O-N 3.24Å
239	P	93.8	Very high	79.6	Confident	104 Å²	104	80.5 Å²	80.5	68%	0.675	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.5	143.6	168.7	-3.4	11.4	0	0	0	110.4	R97	R97-P239 VanDerWaalsContact NH1-CD 3.29Å
240	S	90.3	Very high	76.7	Confident	20 Å²	20	91.8 Å²	91.8	14%	0.14	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	152.4	173.8	176	0	0	0	0	109.8	Y96 I98 T242	Y96-S240 WeakPolarHBondContact CB-O 3.43Å; Y96-S240 PolarHBondContact O-N 2.89Å; I98-S240 VanDerWaalsContact CD1-CB 3.49Å; I98-S240 VanDerWaalsContact CD1-OG 3.29Å; I98-S240 WeakPolarHBondContact CD1-OG 3.48Å; S240-T242 PolarHBondContact OG-N 3.24Å; S240-T242 PolarHBondContact OG-O 3.29Å; S240-T242 PolarHBondContact OG-OG1 3.11Å
241	D	86.2	Confident	73.6	Confident	157 Å²	157	97.1 Å²	97.1	84%	0.84	49%	0.487	S	S	*	.	S	Bend	trans	-94.2	-5.3	172.1	-57.8	-43.8	0	0	0	112.2
242	T	81.5	Confident	70.8	Confident	91 Å²	91	97 Å²	97	56%	0.558	50%	0.497	S	S	*	.			trans	-122.3	140.5	-175	59.2	0	0	0	0	111.3	S240	S240-T242 PolarHBondContact OG-N 3.24Å; S240-T242 PolarHBondContact OG-O 3.29Å; S240-T242 PolarHBondContact OG-OG1 3.11Å
243	F	83.9	Confident	67.8	Low	26 Å²	26	99.5 Å²	99.5	11%	0.114	52%	0.518	C	S	.	.			trans	-126.8	132.8	163.6	-171.7	-97.3	0	0	0	106.6	A68 F85 R87 Y96 E245	A68-F243 HydrophobicContact CB-CE1 4.33Å; A68-F243 HydrophobicContact CB-CE2 4.15Å; A68-F243 HydrophobicContact CB-CZ 3.61Å; F85-F243 HydrophobicContact CB-CD2 3.88Å; F85-F243 HydrophobicContact CB-CE2 3.8Å; R87-F243 HydrophobicContact CB-CD1 4.45Å; R87-F243 HydrophobicContact CB-CD2 3.65Å; R87-F243 HydrophobicContact CB-CE1 4.37Å; R87-F243 HydrophobicContact CB-CE2 3.55Å; R87-F243 HydrophobicContact CB-CG 4.1Å; R87-F243 HydrophobicContact CB-CZ 3.92Å; Y96-F243 HydrophobicContact CD1-CB 3.48Å; Y96-F243 VanDerWaalsContact CD1-CB 3.48Å; Y96-F243 HydrophobicContact CD1-CD2 4.12Å; Y96-F243 HydrophobicContact CD1-CG 4.07Å; Y96-F243 HydrophobicContact CE1-CB 3.55Å; Y96-F243 HydrophobicContact CE1-CG 4.2Å; Y96-F243 HydrophobicContact CG-CB 4.03Å; F243-E245 PolarHBondContact O-N 3.13Å
244	P	79.8	Confident	64.7	Low	27 Å²	27	108.9 Å²	108.9	18%	0.175	56%	0.559	C	S	.	*	P	Polyproline II helix	trans	-64.8	117.1	-179.7	30.7	-36	0	0	0	107.6	F85 I262	F85-P244 HydrophobicContact CB-CG 4.19Å; F85-P244 VanDerWaalsContact CD1-CD 3.48Å; F85-P244 HydrophobicContact CD1-CG 4.15Å; F85-P244 HydrophobicContact CD2-CG 3.8Å; F85-P244 HydrophobicContact CE2-CG 4.22Å; F85-P244 VanDerWaalsContact CG-CD 3.46Å; F85-P244 HydrophobicContact CG-CG 3.77Å; P244-I262 HydrophobicContact CB-CD1 3.47Å; P244-I262 VanDerWaalsContact CB-CD1 3.47Å; P244-I262 HydrophobicContact CG-CD1 3.86Å; P244-I262 WeakPolarHBondContact O-CD1 3.06Å
245	E	63.9	Low	61.8	Low	160 Å²	160	115.9 Å²	115.9	75%	0.748	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-76.5	143.8	-179.4	-71.7	-171.9	160.1	0	0	111	F243 I262	F243-E245 PolarHBondContact O-N 3.13Å; E245-I262 WeakPolarHBondContact O-CD1 2.98Å
246	V	54.9	Low	58.8	Low	42 Å²	42	116.5 Å²	116.5	26%	0.255	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-81.6	129.5	174.9	-170.2	0	0	0	0	108.2	D248 T260	V246-D248 VanDerWaalsContact CG1-OD1 3.24Å; V246-D248 WeakPolarHBondContact CG1-OD1 3.46Å; V246-D248 PolarHBondContact O-N 3.35Å; V246-T260 HydrophobicContact CB-CG2 3.78Å; V246-T260 HydrophobicContact CG1-CG2 3.29Å; V246-T260 HydrophobicContact CG2-CG2 3.4Å; V246-T260 WeakPolarHBondContact CG2-OG1 3.13Å
247	D	39.2	Very low	56.1	Low	137 Å²	137	119.1 Å²	119.1	73%	0.733	62%	0.615	S	S	*	*			trans	-75	75.4	169.6	-140.4	-3.8	0	0	0	107.9	N249	D247-N249 PolarHBondContact O-N 3.12Å
248	D	38.2	Very low	53.3	Low	132 Å²	132	119.6 Å²	119.6	71%	0.706	62%	0.615	S	S	*	*			trans	-74.1	39.1	-175.7	-88.7	-26.6	0	0	0	113.2	V246 R250	V246-D248 VanDerWaalsContact CG1-OD1 3.24Å; V246-D248 WeakPolarHBondContact CG1-OD1 3.46Å; V246-D248 PolarHBondContact O-N 3.35Å; D248-R250 VanDerWaalsContact C-N 3.34Å; D248-R250 PolarHBondContact O-N 3.36Å
249	N	32.2	Very low	51.1	Low	150 Å²	150	115.5 Å²	115.5	80%	0.802	60%	0.602	S	S	*	*			trans	-94.7	42.2	176.3	-88.8	-29.8	0	0	0	113.3	D247	D247-N249 PolarHBondContact O-N 3.12Å
250	R	34	Very low	48.9	Very low	236 Å²	236	111.7 Å²	111.7	89%	0.891	58%	0.576	S	S	*	*			trans	-145.1	89	163.3	-149.9	171.6	-174.9	177	-0.1	111.4	D248 D252	D248-R250 VanDerWaalsContact C-N 3.34Å; D248-R250 PolarHBondContact O-N 3.36Å; R250-D252 PolarHBondContact O-N 2.81Å; R250-D252 VanDerWaalsContact O-N 3.13Å
251	T	29.9	Very low	47.2	Very low	143 Å²	143	113.4 Å²	113.4	88%	0.877	59%	0.586	S	S	*	*			trans	-58.4	104.7	158.3	-33.8	0	0	0	0	107.8
252	D	32.7	Very low	45.6	Very low	145 Å²	145	107.1 Å²	107.1	78%	0.775	55%	0.552	S	S	*	*			trans	-149.2	141.9	141.4	-133.2	-22.4	0	0	0	110.7	R250	R250-D252 PolarHBondContact O-N 2.81Å; R250-D252 VanDerWaalsContact O-N 3.13Å
253	S	30.6	Very low	43.5	Very low	94 Å²	94	105.3 Å²	105.3	66%	0.657	55%	0.552	S	S	*	*			trans	-59.9	145.8	-162.5	51.5	0	0	0	0	116.3
254	K	28.3	Very low	41.4	Very low	196 Å²	196	111.6 Å²	111.6	85%	0.852	58%	0.581	S	S	*	*	S	Bend	trans	67.5	83.5	156.7	-64	175	178.9	176.5	0	117.2
255	E	30.5	Very low	39.4	Very low	176 Å²	176	119.6 Å²	119.6	82%	0.822	61%	0.613	S	S	*	*			trans	178.8	101.5	130.2	-102.6	175.5	173.9	0	0	109	T257	E255-T257 PolarHBondContact O-N 3.41Å
256	E	28.5	Very low	38	Very low	201 Å²	201	119.8 Å²	119.8	94%	0.939	61%	0.614	S	S	*	*			trans	-73.2	74.3	169.4	-82.9	-175.3	137.7	0	0	110.1
257	T	33.1	Very low	37	Very low	95 Å²	95	124.5 Å²	124.5	58%	0.583	64%	0.637	S	S	*	*			trans	-101.4	97.7	157	53.1	0	0	0	0	107.5	E255 F259	E255-T257 PolarHBondContact O-N 3.41Å; T257-F259 VanDerWaalsContact C-N 3.31Å; T257-F259 PolarHBondContact O-N 3.21Å
258	S	33.6	Very low	37.1	Very low	32 Å²	32	122.8 Å²	122.8	22%	0.224	63%	0.634	C	S	.	*			trans	-68.9	84.7	-174.5	71.7	0	0	0	0	111.7	N51	N51-S258 PolarHBondContact ND2-O 3.47Å
259	F	47.2	Very low	37.2	Very low	62 Å²	62	122.3 Å²	122.3	27%	0.272	64%	0.636	S	S	.	*			trans	-126.4	121.5	159	-174.3	-126.3	0	0	0	108.8	V44 L69 T257 V261	V44-F259 HydrophobicContact CB-CE1 4.29Å; V44-F259 HydrophobicContact CB-CE2 4.43Å; V44-F259 HydrophobicContact CB-CZ 3.95Å; V44-F259 HydrophobicContact CG1-CD1 3.91Å; V44-F259 HydrophobicContact CG1-CD2 4.27Å; V44-F259 HydrophobicContact CG1-CE1 3.3Å; V44-F259 HydrophobicContact CG1-CE2 3.83Å; V44-F259 HydrophobicContact CG1-CG 4.35Å; V44-F259 HydrophobicContact CG1-CZ 3.35Å; V44-F259 HydrophobicContact CG2-CE1 4.03Å; V44-F259 HydrophobicContact CG2-CE2 4.27Å; V44-F259 HydrophobicContact CG2-CZ 3.51Å; L69-F259 HydrophobicContact CB-CE2 4.32Å; T257-F259 VanDerWaalsContact C-N 3.31Å; T257-F259 PolarHBondContact O-N 3.21Å; F259-V261 HydrophobicContact CD1-CG2 3.59Å; F259-V261 HydrophobicContact CE1-CB 4.23Å; F259-V261 HydrophobicContact CE1-CG2 2.87Å; F259-V261 HydrophobicContact CE2-CG2 4.43Å; F259-V261 HydrophobicContact CZ-CB 4.5Å; F259-V261 HydrophobicContact CZ-CG2 3.33Å
260	T	49.3	Very low	37.3	Very low	23 Å²	23	124.6 Å²	124.6	14%	0.141	64%	0.639	C	S	.	*			trans	-112.3	99.3	170.3	-41.3	0	0	0	0	109.2	V246 I262	V246-T260 HydrophobicContact CB-CG2 3.78Å; V246-T260 HydrophobicContact CG1-CG2 3.29Å; V246-T260 HydrophobicContact CG2-CG2 3.4Å; V246-T260 WeakPolarHBondContact CG2-OG1 3.13Å; T260-I262 HydrophobicContact CG2-CD1 4.25Å; T260-I262 HydrophobicContact CG2-CG1 3.52Å; T260-I262 PolarHBondContact O-N 3.13Å
261	V	53.1	Low	37.4	Very low	56 Å²	56	120.8 Å²	120.8	34%	0.339	64%	0.636	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.6	106.8	156.5	-174.9	0	0	0	0	107.4	K71 F259 G263	K71-V261 HydrophobicContact CB-CG1 3.36Å; K71-V261 HydrophobicContact CD-CG1 3.55Å; K71-V261 HydrophobicContact CG-CG1 3.39Å; F259-V261 HydrophobicContact CD1-CG2 3.59Å; F259-V261 HydrophobicContact CE1-CB 4.23Å; F259-V261 HydrophobicContact CE1-CG2 2.87Å; F259-V261 HydrophobicContact CE2-CG2 4.43Å; F259-V261 HydrophobicContact CZ-CB 4.5Å; F259-V261 HydrophobicContact CZ-CG2 3.33Å; V261-G263 PolarHBondContact O-N 3.02Å
262	I	52.8	Low	38	Very low	25 Å²	25	124.4 Å²	124.4	13%	0.128	66%	0.658	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.3	108.3	176.4	-60.6	164.3	0	0	0	108	P244 E245 T260	P244-I262 HydrophobicContact CB-CD1 3.47Å; P244-I262 VanDerWaalsContact CB-CD1 3.47Å; P244-I262 HydrophobicContact CG-CD1 3.86Å; P244-I262 WeakPolarHBondContact O-CD1 3.06Å; E245-I262 WeakPolarHBondContact O-CD1 2.98Å; T260-I262 HydrophobicContact CG2-CD1 4.25Å; T260-I262 HydrophobicContact CG2-CG1 3.52Å; T260-I262 PolarHBondContact O-N 3.13Å
263	G	38.9	Very low	38.3	Very low	54 Å²	54	123.4 Å²	123.4	56%	0.557	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-84.6	135.3	171.3	0	0	0	0	0	111.2	V261	V261-G263 PolarHBondContact O-N 3.02Å
264	H	39.4	Very low	38.7	Very low	158 Å²	158	124.9 Å²	124.9	73%	0.731	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-83.3	125.7	164.6	-97	37.1	0	0	0	109.2	H266	H264-H266 PolarHBondContact O-N 2.97Å
265	K	37.4	Very low	39.2	Very low	195 Å²	195	121 Å²	121	85%	0.848	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-71.3	119.8	160.1	-78.1	-178.3	177.9	172.5	0	108.2	N267	K265-N267 PolarHBondContact O-N 2.84Å
266	H	35	Very low	39.8	Very low	163 Å²	163	117.8 Å²	117.8	76%	0.755	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-70.2	116.2	165	-157.1	-65.8	0	0	0	107.3	H264 P268	H264-H266 PolarHBondContact O-N 2.97Å; H266-P268 WeakPolarHBondContact O-CD 3.38Å
267	N	34	Very low	40.5	Very low	141 Å²	141	112.6 Å²	112.6	75%	0.754	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-81	117.6	166.9	-160	-0.5	0	0	0	106.7	K265 T269	K265-N267 PolarHBondContact O-N 2.84Å; N267-T269 PolarHBondContact O-N 3.04Å
268	P	40.2	Very low	40.9	Very low	101 Å²	101	113.7 Å²	113.7	66%	0.656	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-69.5	119.7	172.3	27.6	-28.4	0	0	0	108	H266 K270	H266-P268 WeakPolarHBondContact O-CD 3.38Å; P268-K270 PolarHBondContact O-N 2.97Å
269	T	39.6	Very low	41.5	Very low	122 Å²	122	119.6 Å²	119.6	75%	0.748	64%	0.64	S	S	*	*			trans	-38.4	127	165.3	31.6	0	0	0	0	111.9	N267 N271	N267-T269 PolarHBondContact O-N 3.04Å; T269-N271 PolarHBondContact O-N 3.42Å
270	K	35.9	Very low	41	Very low	199 Å²	199	124 Å²	124	87%	0.865	67%	0.668	S	S	*	*			trans	-51.8	123.8	155.8	-74.7	-179.5	173.7	-177.3	0	109	P268	P268-K270 PolarHBondContact O-N 2.97Å
271	N	36.2	Very low	40.3	Very low	156 Å²	156	132.4 Å²	132.4	83%	0.834	71%	0.712	S	S	*	*			trans	-148.2	83.2	157.6	-98	-12.9	0	0	0	106.2	T269	T269-N271 PolarHBondContact O-N 3.42Å
272	V	41.7	Very low	39.2	Very low	219 Å²	219	139.4 Å²	139.4	100%	1.327	75%	0.746	S	S	*	*			trans	-164.3	0	134.8	179.2	0	0	0	0	105.7

Retrieved 272 of 272 residues in 175.7 ms (Link to these results)

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