A0A087XCF5_POEFO Loading...

Monoacylglycerol lipase ABHD2

Progesterone-dependent acylglycerol lipase that catalyzes hydrolysis of endocannabinoid arachidonoylglycerol (AG) from cell membrane. Acts as a progesterone receptor: progesterone-binding activates the acylglycerol lipase activity, mediating degradation of 1-arachidonoylglycerol (1AG) and 2-arachidonoylglycerol (2AG) to glycerol and arachidonic acid (AA). Also displays an ester hydrolase activity against acetyl ester, butanoate ester and hexadecanoate ester. Plays a key role in sperm capacitation in response to progesterone by mediating degradation of 2AG, an inhibitor of the sperm calcium channel CatSper, leading to calcium influx via CatSper and sperm activation. May also play a role in smooth muscle cells migration.

AlphaFold DB , UniProt , Accession A0A087XCF5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 427 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	38.8	Very low	44.3	Very low	245 Å²	245	166.2 Å²	166.2	100%	1.207	85%	0.854	S	S	*	*				0	117.6	0	-163.5	174.1	-83.1	0	0	105.7
2	I	44.8	Very low	44.6	Very low	153 Å²	153	158.3 Å²	158.3	79%	0.785	84%	0.844	S	S	*	*			trans	-64.1	140.4	-174.7	-64.4	161.6	0	0	0	109.2
3	L	38.1	Very low	45	Very low	164 Å²	164	153.7 Å²	153.7	86%	0.859	83%	0.832	S	S	*	*			trans	-161.5	130.5	139.2	-101.6	149.8	0	0	0	109.6
4	E	48.3	Very low	45.5	Very low	163 Å²	163	153.1 Å²	153.1	76%	0.762	82%	0.821	S	S	*	*			trans	-59.9	147.8	-178.2	-66	159.1	127.9	0	0	112.2
5	D	38.9	Very low	45.8	Very low	175 Å²	175	149.7 Å²	149.7	94%	0.936	80%	0.802	S	S	*	*			trans	-139	100.6	145	-115	-19.5	0	0	0	109
6	S	46.3	Very low	46.2	Very low	96 Å²	96	145.3 Å²	145.3	67%	0.671	78%	0.784	S	S	*	*			trans	-83.7	145.2	178.4	52.2	0	0	0	0	111.7
7	N	45.9	Very low	46.9	Very low	160 Å²	160	140.8 Å²	140.8	86%	0.856	77%	0.771	S	S	*	*			trans	68.4	91	158.9	-82.8	-10.4	0	0	0	118.7
8	M	42	Very low	47.4	Very low	189 Å²	189	139.1 Å²	139.1	93%	0.931	76%	0.758	S	S	*	*			trans	-136.7	56.2	155.1	-142.1	177.5	79.3	0	0	111.6
9	Q	50.9	Low	48	Very low	173 Å²	173	138.1 Å²	138.1	81%	0.808	75%	0.746	S	S	*	*			trans	-145.6	103.6	164	-83.1	-169	-18.6	0	0	109.2
10	T	48.2	Very low	49.2	Very low	125 Å²	125	136.3 Å²	136.3	77%	0.767	74%	0.736	S	S	*	*			trans	160.3	77	143	46.8	0	0	0	0	110.5
11	F	45.3	Very low	50.5	Low	185 Å²	185	131.7 Å²	131.7	81%	0.811	72%	0.721	S	S	*	*	S	Bend	trans	-143.2	11.9	162.1	-89.4	-71.5	0	0	0	113.5
12	G	48.2	Very low	52.5	Low	71 Å²	71	125.9 Å²	125.9	73%	0.732	69%	0.692	S	S	*	*	S	Bend	trans	-100.8	-13.5	-171.2	0	0	0	0	0	117
13	S	49.9	Very low	54.2	Low	99 Å²	99	124.3 Å²	124.3	69%	0.692	68%	0.68	S	S	*	*	S	Bend	trans	-108.8	-11.1	-170.2	55.7	0	0	0	0	115.3
14	E	51.2	Low	56.5	Low	145 Å²	145	122.5 Å²	122.5	68%	0.678	67%	0.67	S	S	*	*	H	α-helix	trans	-90.2	-24.6	-175.6	-68	-172	159.7	0	0	113.8	M18	E14-M18 WeakPolarHBondContact O-CB 3.44Å; E14-M18 PolarHBondContact O-N 3.46Å; E14-M18 VanDerWaalsContact O-N 3.12Å
15	L	49.9	Very low	58.2	Low	103 Å²	103	117.6 Å²	117.6	54%	0.539	66%	0.658	S	S	.	*	H	α-helix	trans	-63.7	-41.1	-179.6	-90.5	101.7	0	0	0	114.9	F19	L15-F19 WeakPolarHBondContact O-CB 3.49Å; L15-F19 PolarHBondContact O-N 3.24Å
16	P	53.2	Low	60.5	Low	78 Å²	78	112 Å²	112	51%	0.506	64%	0.636	S	S	.	*	H	α-helix	trans	-67	-42.8	-179.8	-18.6	30.8	0	0	0	112.5	F19 D20	P16-F19 PolarHBondContact O-N 3.31Å; P16-D20 PolarHBondContact O-N 3.03Å
17	A	57.5	Low	62.5	Low	69 Å²	69	111.4 Å²	111.4	57%	0.57	63%	0.628	S	S	*	*	H	α-helix	trans	-68.1	-37.6	-180	0	0	0	0	0	112.2	D20 G21	A17-D20 PolarHBondContact O-N 3.5Å; A17-G21 PolarHBondContact O-N 3.49Å
18	M	56.5	Low	64.4	Low	110 Å²	110	106.3 Å²	106.3	54%	0.542	61%	0.608	S	S	.	*	H	α-helix	trans	-66.8	-39.5	173.6	-172.5	179.7	67.1	0	0	111.7	E14 G21 M22	E14-M18 WeakPolarHBondContact O-CB 3.44Å; E14-M18 PolarHBondContact O-N 3.46Å; E14-M18 VanDerWaalsContact O-N 3.12Å; M18-G21 PolarHBondContact O-N 3.31Å; M18-M22 HydrophobicContact CG-SD 4.46Å; M18-M22 WeakPolarHBondContact O-CB 3.48Å; M18-M22 WeakPolarHBondContact O-CG 3.43Å; M18-M22 PolarHBondContact O-N 2.9Å
19	F	58.2	Low	66.6	Low	121 Å²	121	99.9 Å²	99.9	53%	0.531	59%	0.585	S	S	.	*	H	α-helix	trans	-64.6	-40.2	175.9	-117.1	-94.5	0	0	0	112.5	L15 P16 K23	L15-F19 WeakPolarHBondContact O-CB 3.49Å; L15-F19 PolarHBondContact O-N 3.24Å; P16-F19 PolarHBondContact O-N 3.31Å; F19-K23 VanDerWaalsContact O-CG 3.32Å; F19-K23 WeakPolarHBondContact O-CG 3.36Å; F19-K23 PolarHBondContact O-N 3.37Å
20	D	71.5	Confident	68.3	Low	101 Å²	101	96 Å²	96	54%	0.54	57%	0.573	S	S	.	*	H	α-helix	trans	-70.9	-36.6	175.3	-79.5	-18.4	0	0	0	112.1	P16 A17 K23 L24	P16-D20 PolarHBondContact O-N 3.03Å; A17-D20 PolarHBondContact O-N 3.5Å; D20-K23 PolarHBondContact O-N 2.85Å; D20-L24 VanDerWaalsContact O-CB 3.3Å; D20-L24 WeakPolarHBondContact O-CB 3.3Å; D20-L24 PolarHBondContact O-N 3.3Å
21	G	76.8	Confident	70.1	Confident	40 Å²	40	95 Å²	95	41%	0.412	56%	0.562	S	S	.	*	H	α-helix	trans	-62.2	-42.9	171.8	0	0	0	0	0	113	A17 M18 L24 A25	A17-G21 PolarHBondContact O-N 3.49Å; M18-G21 PolarHBondContact O-N 3.31Å; G21-L24 PolarHBondContact O-N 3.33Å; G21-A25 WeakPolarHBondContact O-CB 3.03Å; G21-A25 PolarHBondContact O-N 3.25Å
22	M	80.6	Confident	72	Confident	123 Å²	123	93.1 Å²	93.1	61%	0.606	55%	0.551	S	S	*	*	H	α-helix	trans	-66.8	-41.5	176.3	-73.9	178.2	68.4	0	0	112.5	M18 A25 A26	M18-M22 HydrophobicContact CG-SD 4.46Å; M18-M22 WeakPolarHBondContact O-CB 3.48Å; M18-M22 WeakPolarHBondContact O-CG 3.43Å; M18-M22 PolarHBondContact O-N 2.9Å; M22-A25 PolarHBondContact O-N 3.22Å; M22-A26 WeakPolarHBondContact O-CB 3.02Å; M22-A26 PolarHBondContact O-N 3.2Å
23	K	81.3	Confident	73.8	Confident	121 Å²	121	93.7 Å²	93.7	53%	0.526	54%	0.54	S	S	.	.	H	α-helix	trans	-62.7	-44.7	174.2	-74.7	172.9	-175	167.7	0	111.3	F19 D20 A26 V27	F19-K23 VanDerWaalsContact O-CG 3.32Å; F19-K23 WeakPolarHBondContact O-CG 3.36Å; F19-K23 PolarHBondContact O-N 3.37Å; D20-K23 PolarHBondContact O-N 2.85Å; K23-A26 PolarHBondContact O-N 2.85Å; K23-V27 VanDerWaalsContact O-CG2 3.3Å; K23-V27 WeakPolarHBondContact O-CG2 3.49Å; K23-V27 PolarHBondContact O-N 2.52Å
24	L	85.6	Confident	75.4	Confident	126 Å²	126	92 Å²	92	66%	0.66	53%	0.525	S	S	*	.	H	α-helix	trans	-62.8	-42.9	177.8	-172.3	67.2	0	0	0	111.3	D20 G21 V27 A28	D20-L24 VanDerWaalsContact O-CB 3.3Å; D20-L24 WeakPolarHBondContact O-CB 3.3Å; D20-L24 PolarHBondContact O-N 3.3Å; G21-L24 PolarHBondContact O-N 3.33Å; L24-V27 PolarHBondContact O-N 3.23Å; L24-A28 VanDerWaalsContact O-CB 3.31Å; L24-A28 WeakPolarHBondContact O-CB 3.06Å; L24-A28 PolarHBondContact O-N 3.27Å
25	A	85.4	Confident	76.9	Confident	60 Å²	60	87.4 Å²	87.4	50%	0.496	51%	0.507	S	S	.	.	H	α-helix	trans	-63.1	-41.4	175.2	0	0	0	0	0	112.2	G21 M22 A28 A29	G21-A25 WeakPolarHBondContact O-CB 3.03Å; G21-A25 PolarHBondContact O-N 3.25Å; M22-A25 PolarHBondContact O-N 3.22Å; A25-A28 PolarHBondContact O-N 3.09Å; A25-A29 WeakPolarHBondContact O-CB 3.28Å; A25-A29 PolarHBondContact O-N 3.45Å
26	A	86	Confident	78.5	Confident	57 Å²	57	90 Å²	90	47%	0.471	51%	0.509	S	S	.	.	H	α-helix	trans	-64.5	-44.5	175.8	0	0	0	0	0	111.8	M22 K23 A29 V30	M22-A26 WeakPolarHBondContact O-CB 3.02Å; M22-A26 PolarHBondContact O-N 3.2Å; K23-A26 PolarHBondContact O-N 2.85Å; A26-A29 PolarHBondContact O-N 2.78Å; A26-V30 VanDerWaalsContact O-CG2 3.32Å; A26-V30 WeakPolarHBondContact O-CG2 3.29Å; A26-V30 PolarHBondContact O-N 2.98Å
27	V	87.5	Confident	79.8	Confident	83 Å²	83	90.2 Å²	90.2	50%	0.503	51%	0.512	S	S	.	.	H	α-helix	trans	-62.1	-45.1	175.2	171.2	0	0	0	0	110.7	K23 L24 A29 V30 L31	K23-V27 VanDerWaalsContact O-CG2 3.3Å; K23-V27 WeakPolarHBondContact O-CG2 3.49Å; K23-V27 PolarHBondContact O-N 2.52Å; L24-V27 PolarHBondContact O-N 3.23Å; V27-A29 VanDerWaalsContact C-N 3.34Å; V27-A29 PolarHBondContact O-N 2.78Å; V27-V30 PolarHBondContact O-N 3.05Å; V27-L31 HydrophobicContact CG1-CD1 3.94Å; V27-L31 HydrophobicContact CG1-CG 4.34Å; V27-L31 WeakPolarHBondContact O-CB 3.33Å; V27-L31 VanDerWaalsContact O-CG 3.31Å; V27-L31 WeakPolarHBondContact O-CG 3.47Å; V27-L31 PolarHBondContact O-N 3.15Å
28	A	87.8	Confident	81.1	Confident	54 Å²	54	88.5 Å²	88.5	45%	0.446	49%	0.493	S	S	.	.	H	α-helix	trans	-62.2	-40.7	176.9	0	0	0	0	0	112.1	L24 A25 L31 Y32	L24-A28 VanDerWaalsContact O-CB 3.31Å; L24-A28 WeakPolarHBondContact O-CB 3.06Å; L24-A28 PolarHBondContact O-N 3.27Å; A25-A28 PolarHBondContact O-N 3.09Å; A28-L31 PolarHBondContact O-N 2.88Å; A28-Y32 VanDerWaalsContact O-CB 3.3Å; A28-Y32 WeakPolarHBondContact O-CB 3.45Å; A28-Y32 PolarHBondContact O-N 3.49Å
29	A	88	Confident	82.5	Confident	54 Å²	54	85.9 Å²	85.9	45%	0.446	48%	0.481	S	S	.	.	H	α-helix	trans	-63.9	-43.9	175.4	0	0	0	0	0	111.7	A25 A26 V27 Y32 V33	A25-A29 WeakPolarHBondContact O-CB 3.28Å; A25-A29 PolarHBondContact O-N 3.45Å; A26-A29 PolarHBondContact O-N 2.78Å; V27-A29 VanDerWaalsContact C-N 3.34Å; V27-A29 PolarHBondContact O-N 2.78Å; A29-Y32 PolarHBondContact O-N 3.24Å; A29-V33 VanDerWaalsContact O-CG2 3.31Å; A29-V33 WeakPolarHBondContact O-CG2 3.45Å; A29-V33 PolarHBondContact O-N 3.18Å
30	V	86.5	Confident	83.7	Confident	91 Å²	91	82.9 Å²	82.9	55%	0.552	47%	0.47	S	S	*	.	H	α-helix	trans	-61.8	-47.6	175	171.1	0	0	0	0	110.7	A26 V27 Y32 V33 V34	A26-V30 VanDerWaalsContact O-CG2 3.32Å; A26-V30 WeakPolarHBondContact O-CG2 3.29Å; A26-V30 PolarHBondContact O-N 2.98Å; V27-V30 PolarHBondContact O-N 3.05Å; V30-Y32 VanDerWaalsContact C-N 3.32Å; V30-Y32 PolarHBondContact O-N 2.81Å; V30-V33 PolarHBondContact O-N 3.31Å; V30-V34 HydrophobicContact CG1-CG2 4.41Å; V30-V34 VanDerWaalsContact O-CG2 3.29Å; V30-V34 WeakPolarHBondContact O-CG2 3.26Å; V30-V34 PolarHBondContact O-N 2.81Å
31	L	85.6	Confident	84.3	Confident	103 Å²	103	83.1 Å²	83.1	54%	0.539	48%	0.475	S	S	.	.	H	α-helix	trans	-60.9	-41.3	177.2	-72.4	173.7	0	0	0	111.7	V27 A28 V34 V35	V27-L31 HydrophobicContact CG1-CD1 3.94Å; V27-L31 HydrophobicContact CG1-CG 4.34Å; V27-L31 WeakPolarHBondContact O-CB 3.33Å; V27-L31 VanDerWaalsContact O-CG 3.31Å; V27-L31 WeakPolarHBondContact O-CG 3.47Å; V27-L31 PolarHBondContact O-N 3.15Å; A28-L31 PolarHBondContact O-N 2.88Å; L31-V34 PolarHBondContact O-N 2.78Å; L31-V35 WeakPolarHBondContact O-CB 3.37Å; L31-V35 VanDerWaalsContact O-CG2 3.24Å; L31-V35 WeakPolarHBondContact O-CG2 3.24Å; L31-V35 PolarHBondContact O-N 2.65Å
32	Y	85.8	Confident	84.8	Confident	147 Å²	147	81.9 Å²	81.9	58%	0.576	46%	0.46	S	S	*	.	H	α-helix	trans	-60.8	-46.8	175	176.4	-96.2	0	0	0	111.7	A28 A29 V30 V34 V35 R36	A28-Y32 VanDerWaalsContact O-CB 3.3Å; A28-Y32 WeakPolarHBondContact O-CB 3.45Å; A28-Y32 PolarHBondContact O-N 3.49Å; A29-Y32 PolarHBondContact O-N 3.24Å; V30-Y32 VanDerWaalsContact C-N 3.32Å; V30-Y32 PolarHBondContact O-N 2.81Å; Y32-V34 VanDerWaalsContact C-N 3.33Å; Y32-V34 PolarHBondContact O-N 3.05Å; Y32-V35 PolarHBondContact O-N 3.13Å; Y32-R36 HydrophobicContact CD1-CG 4.19Å; Y32-R36 HydrophobicContact CD2-CG 4.44Å; Y32-R36 HydrophobicContact CE1-CG 3.78Å; Y32-R36 HydrophobicContact CE2-CG 4.07Å; Y32-R36 WeakPolarHBondContact O-CB 3.42Å; Y32-R36 VanDerWaalsContact O-CG 3.24Å; Y32-R36 WeakPolarHBondContact O-CG 3.38Å; Y32-R36 PolarHBondContact O-N 3.44Å
33	V	85	Confident	85.2	Confident	83 Å²	83	80.2 Å²	80.2	50%	0.503	46%	0.459	S	S	.	.	H	α-helix	trans	-60.6	-43.6	176	171	0	0	0	0	110.6	A29 V30 R36 C37	A29-V33 VanDerWaalsContact O-CG2 3.31Å; A29-V33 WeakPolarHBondContact O-CG2 3.45Å; A29-V33 PolarHBondContact O-N 3.18Å; V30-V33 PolarHBondContact O-N 3.31Å; V33-R36 PolarHBondContact O-N 3.41Å; V33-C37 VanDerWaalsContact O-CB 3.3Å; V33-C37 WeakPolarHBondContact O-CB 3.42Å; V33-C37 PolarHBondContact O-N 3.5Å; V33-C37 PolarHBondContact O-SG 3.45Å
34	V	83.8	Confident	85.7	Confident	63 Å²	63	76.4 Å²	76.4	38%	0.382	45%	0.446	S	S	.	.	H	α-helix	trans	-60.5	-50.4	176.3	169.8	0	0	0	0	110.9	V30 L31 Y32 R36 C37 L38	V30-V34 HydrophobicContact CG1-CG2 4.41Å; V30-V34 VanDerWaalsContact O-CG2 3.29Å; V30-V34 WeakPolarHBondContact O-CG2 3.26Å; V30-V34 PolarHBondContact O-N 2.81Å; L31-V34 PolarHBondContact O-N 2.78Å; Y32-V34 VanDerWaalsContact C-N 3.33Å; Y32-V34 PolarHBondContact O-N 3.05Å; V34-R36 VanDerWaalsContact C-N 3.27Å; V34-R36 PolarHBondContact O-N 2.9Å; V34-C37 PolarHBondContact O-N 3.19Å; V34-L38 HydrophobicContact CG1-CD1 3.48Å; V34-L38 VanDerWaalsContact CG1-CD1 3.48Å; V34-L38 HydrophobicContact CG1-CG 4.17Å; V34-L38 VanDerWaalsContact O-CB 3.24Å; V34-L38 WeakPolarHBondContact O-CB 3.39Å; V34-L38 VanDerWaalsContact O-CG 3.25Å; V34-L38 WeakPolarHBondContact O-CG 3.47Å; V34-L38 PolarHBondContact O-N 3.35Å
35	V	83.4	Confident	86	Confident	48 Å²	48	72.3 Å²	72.3	29%	0.291	43%	0.43	S	S	.	.	H	α-helix	trans	-57.3	-41.3	178.1	167.5	0	0	0	0	111.4	L31 Y32 N39 L40 T41	L31-V35 WeakPolarHBondContact O-CB 3.37Å; L31-V35 VanDerWaalsContact O-CG2 3.24Å; L31-V35 WeakPolarHBondContact O-CG2 3.24Å; L31-V35 PolarHBondContact O-N 2.65Å; Y32-V35 PolarHBondContact O-N 3.13Å; V35-N39 WeakPolarHBondContact O-CA 3.4Å; V35-N39 PolarHBondContact O-N 3.05Å; V35-L40 HydrophobicContact CG1-CB 4.39Å; V35-L40 HydrophobicContact CG2-CD1 4.2Å; V35-L40 PolarHBondContact O-N 3.16Å; V35-L40 VanDerWaalsContact O-N 3.08Å; V35-T41 HydrophobicContact CG1-CG2 3.8Å
36	R	83.5	Confident	86.5	Confident	159 Å²	159	73 Å²	73	60%	0.6	43%	0.427	S	S	*	.	H	α-helix	trans	-69.8	-47.2	177.9	-71.1	-71.4	-66.1	-161.7	-2.8	112.5	Y32 V33 V34 N39	Y32-R36 HydrophobicContact CD1-CG 4.19Å; Y32-R36 HydrophobicContact CD2-CG 4.44Å; Y32-R36 HydrophobicContact CE1-CG 3.78Å; Y32-R36 HydrophobicContact CE2-CG 4.07Å; Y32-R36 WeakPolarHBondContact O-CB 3.42Å; Y32-R36 VanDerWaalsContact O-CG 3.24Å; Y32-R36 WeakPolarHBondContact O-CG 3.38Å; Y32-R36 PolarHBondContact O-N 3.44Å; V33-R36 PolarHBondContact O-N 3.41Å; V34-R36 VanDerWaalsContact C-N 3.27Å; V34-R36 PolarHBondContact O-N 2.9Å; R36-N39 PolarHBondContact O-N 3.36Å
37	C	80.6	Confident	87	Confident	82 Å²	82	70.5 Å²	70.5	55%	0.554	41%	0.407	S	S	*	.	H	α-helix	trans	-67.1	-36.2	-179.3	-72.5	0	0	0	0	112.8	V33 V34 N39 S80	V33-C37 VanDerWaalsContact O-CB 3.3Å; V33-C37 WeakPolarHBondContact O-CB 3.42Å; V33-C37 PolarHBondContact O-N 3.5Å; V33-C37 PolarHBondContact O-SG 3.45Å; V34-C37 PolarHBondContact O-N 3.19Å; C37-N39 VanDerWaalsContact C-N 3.27Å; C37-S80 PolarHBondContact O-OG 3.34Å; C37-S80 VanDerWaalsContact O-OG 3.05Å
38	L	84.6	Confident	87.5	Confident	33 Å²	33	72.1 Å²	72.1	17%	0.173	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-7.7	175.9	-63.3	-178.7	0	0	0	112.8	V34 L40 I76 W77 L83	V34-L38 HydrophobicContact CG1-CD1 3.48Å; V34-L38 VanDerWaalsContact CG1-CD1 3.48Å; V34-L38 HydrophobicContact CG1-CG 4.17Å; V34-L38 VanDerWaalsContact O-CB 3.24Å; V34-L38 WeakPolarHBondContact O-CB 3.39Å; V34-L38 VanDerWaalsContact O-CG 3.25Å; V34-L38 WeakPolarHBondContact O-CG 3.47Å; V34-L38 PolarHBondContact O-N 3.35Å; L38-L40 HydrophobicContact CB-CD1 4.34Å; L38-L40 HydrophobicContact CB-CD2 3.86Å; L38-L40 HydrophobicContact CB-CG 3.72Å; L38-L40 HydrophobicContact CD1-CD1 4.32Å; L38-L40 PolarHBondContact O-N 2.94Å; L38-I76 HydrophobicContact CD1-CG2 4.38Å; L38-I76 WeakPolarHBondContact CD1-O 3.4Å; L38-W77 HydrophobicContact CD2-CB 4.34Å; L38-L83 HydrophobicContact CD2-CD1 3.29Å
39	N	85.2	Confident	88	Confident	54 Å²	54	71.6 Å²	71.6	29%	0.289	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	38.1	-179.3	-160.8	28.4	0	0	0	113	V35 R36 C37 T41 S42 K79 H373	V35-N39 WeakPolarHBondContact O-CA 3.4Å; V35-N39 PolarHBondContact O-N 3.05Å; R36-N39 PolarHBondContact O-N 3.36Å; C37-N39 VanDerWaalsContact C-N 3.27Å; N39-T41 PolarHBondContact O-N 3.02Å; N39-S42 VanDerWaalsContact ND2-CB 3.35Å; N39-S42 WeakPolarHBondContact ND2-CB 3.36Å; N39-S42 WeakPolarHBondContact O-CB 3.42Å; N39-S42 PolarHBondContact O-N 3.33Å; N39-S42 VanDerWaalsContact O-N 3.1Å; N39-K79 HydrophobicContact CB-CB 4.27Å; N39-K79 WeakPolarHBondContact CB-O 3.47Å; N39-K79 PolarHBondContact ND2-O 3.14Å; N39-K79 WeakPolarHBondContact O-CB 3.38Å; N39-H373 PolarHBondContact ND2-CE1 3.05Å
40	L	84.2	Confident	88.4	Confident	59 Å²	59	70.9 Å²	70.9	31%	0.309	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-26.3	-171.1	-64.3	-180	0	0	0	113.2	V35 L38 S42 L75 I76 K79	V35-L40 HydrophobicContact CG1-CB 4.39Å; V35-L40 HydrophobicContact CG2-CD1 4.2Å; V35-L40 PolarHBondContact O-N 3.16Å; V35-L40 VanDerWaalsContact O-N 3.08Å; L38-L40 HydrophobicContact CB-CD1 4.34Å; L38-L40 HydrophobicContact CB-CD2 3.86Å; L38-L40 HydrophobicContact CB-CG 3.72Å; L38-L40 HydrophobicContact CD1-CD1 4.32Å; L38-L40 PolarHBondContact O-N 2.94Å; L40-S42 VanDerWaalsContact C-N 3.32Å; L40-L75 WeakPolarHBondContact CD2-O 3.44Å; L40-I76 VanDerWaalsContact CD2-O 3.24Å; L40-I76 WeakPolarHBondContact CD2-O 3.27Å; L40-K79 PolarHBondContact O-NZ 3.45Å
41	T	83.1	Confident	89	Confident	105 Å²	105	68.2 Å²	68.2	64%	0.644	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.1	179.8	55.7	0	0	0	0	113.6	V35 N39	V35-T41 HydrophobicContact CG1-CG2 3.8Å; N39-T41 PolarHBondContact O-N 3.02Å
42	S	87.8	Confident	89.6	Confident	14 Å²	14	66.4 Å²	66.4	10%	0.098	36%	0.361	C	S	.	.	S	Bend	trans	-68.5	136.1	179.1	-166.4	0	0	0	0	110.6	N39 L40 K79 H373	N39-S42 VanDerWaalsContact ND2-CB 3.35Å; N39-S42 WeakPolarHBondContact ND2-CB 3.36Å; N39-S42 WeakPolarHBondContact O-CB 3.42Å; N39-S42 PolarHBondContact O-N 3.33Å; N39-S42 VanDerWaalsContact O-N 3.1Å; L40-S42 VanDerWaalsContact C-N 3.32Å; S42-K79 VanDerWaalsContact O-CD 3.29Å; S42-K79 WeakPolarHBondContact O-CD 3.23Å; S42-K79 WeakPolarHBondContact O-CE 3.14Å; S42-K79 PolarHBondContact O-NZ 3.1Å; S42-H373 WeakPolarHBondContact CB-NE2 3.46Å; S42-H373 PolarHBondContact OG-CE1 3.42Å; S42-H373 PolarHBondContact OG-NE2 2.81Å
43	P	89.6	Confident	90.1	Very high	89 Å²	89	65.3 Å²	65.3	58%	0.578	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-71.2	152.1	176	31.1	-34.7	0	0	0	110.7	H373	P43-H373 PolarHBondContact O-NE2 3.34Å
44	T	90.2	Very high	90.7	Very high	41 Å²	41	62.4 Å²	62.4	25%	0.252	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-80	151	158.5	43.4	0	0	0	0	108.5	E70 P73	T44-E70 WeakPolarHBondContact CB-OE1 3.49Å; T44-E70 PolarHBondContact OG1-OE1 3.13Å; T44-P73 HydrophobicContact CG2-CG 4.31Å
45	A	93.2	Very high	91.3	Very high	39 Å²	39	63.2 Å²	63.2	32%	0.322	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-150.2	158	-174.6	0	0	0	0	0	111.4	Y71	A45-Y71 PolarHBondContact O-N 3.5Å
46	V	94.9	Very high	92	Very high	74 Å²	74	62.2 Å²	62.2	45%	0.448	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-65.9	141.5	165.3	-179.1	0	0	0	0	108.4	Q48 S68 E70	V46-Q48 PolarHBondContact O-N 3.39Å; V46-S68 WeakPolarHBondContact CG1-O 3.34Å; V46-E70 HydrophobicContact CG2-CB 4.42Å
47	P	96.7	Very high	92.6	Very high	6 Å²	6	55 Å²	55	4%	0.039	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-54	133.7	173.4	-20.4	28.2	0	0	0	111.3	I49 K69 L370 T371 W392	P47-I49 HydrophobicContact CB-CD1 4.01Å; P47-I49 PolarHBondContact O-N 2.95Å; P47-K69 WeakPolarHBondContact CD-O 3.45Å; P47-L370 CarbonylContact C-O 3.59Å; P47-L370 WeakPolarHBondContact CA-O 3.48Å; P47-T371 HydrophobicContact CB-CG2 4.15Å; P47-T371 HydrophobicContact CG-CG2 4.1Å; P47-W392 HydrophobicContact CB-CZ2 4.44Å; P47-W392 HydrophobicContact CG-CH2 4.3Å; P47-W392 HydrophobicContact CG-CZ2 3.57Å
48	Q	97.5	Very high	93.4	Very high	116 Å²	116	58 Å²	58	54%	0.542	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	117.1	170.4	-178.1	-178.5	12.7	0	0	108.5	V46 L370	V46-Q48 PolarHBondContact O-N 3.39Å; Q48-L370 HydrophobicContact CB-CB 4.35Å; Q48-L370 PolarHBondContact N-O 2.89Å; Q48-L370 PolarHBondContact O-N 3.21Å
49	I	97.9	Very high	94	Very high	44 Å²	44	58.9 Å²	58.9	23%	0.226	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	127.2	177.8	-49.9	-56.2	0	0	0	110.2	P47 L61 L67 M367 F368 A369	P47-I49 HydrophobicContact CB-CD1 4.01Å; P47-I49 PolarHBondContact O-N 2.95Å; I49-L61 HydrophobicContact CB-CD2 4.32Å; I49-L61 HydrophobicContact CG1-CD2 4.02Å; I49-L61 HydrophobicContact CG2-CD2 4.05Å; I49-L67 HydrophobicContact CD1-CB 4.13Å; I49-L67 HydrophobicContact CD1-CD2 3.89Å; I49-M367 HydrophobicContact CG2-CE 4.46Å; I49-M367 HydrophobicContact CG2-CG 3.69Å; I49-M367 HydrophobicContact CG2-SD 3.94Å; I49-F368 CarbonylContact C-O 3.57Å; I49-F368 WeakPolarHBondContact CA-O 3.5Å; I49-A369 HydrophobicContact CD1-CB 3.57Å
50	I	98.1	Very high	94.6	Very high	38 Å²	38	56.5 Å²	56.5	20%	0.195	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.7	171.5	-60.4	166.4	0	0	0	107	C357 A360 F368	I50-C357 HydrophobicContact CD1-CB 4.25Å; I50-C357 VanDerWaalsContact CD1-SG 3.52Å; I50-A360 HydrophobicContact CB-CB 4.34Å; I50-A360 HydrophobicContact CG2-CB 3.87Å; I50-A360 WeakPolarHBondContact O-CB 3.35Å; I50-F368 HydrophobicContact CB-CB 4.35Å; I50-F368 HydrophobicContact CB-CD1 4.48Å; I50-F368 HydrophobicContact CD1-CD1 3.95Å; I50-F368 HydrophobicContact CD1-CE1 4.45Å; I50-F368 PolarHBondContact N-O 2.94Å; I50-F368 PolarHBondContact O-N 3.06Å
51	S	97.7	Very high	95.2	Very high	35 Å²	35	56.6 Å²	56.6	25%	0.245	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	156.1	175.4	59.2	0	0	0	0	109.3
52	Q	97.9	Very high	95.9	Very high	66 Å²	66	60.1 Å²	60.1	31%	0.308	32%	0.316	S	S	.	.			trans	-66.2	148.2	167.5	-66.1	-173.8	-1	0	0	111.2	T54 S57 A360 D361 K362	Q52-T54 HydrophobicContact CB-CG2 4.14Å; Q52-T54 PolarHBondContact O-N 3.4Å; Q52-T54 VanDerWaalsContact O-N 3.09Å; Q52-S57 WeakPolarHBondContact O-CB 3.45Å; Q52-S57 PolarHBondContact O-OG 3.22Å; Q52-A360 PolarHBondContact N-O 3.5Å; Q52-D361 WeakPolarHBondContact CG-O 3.4Å; Q52-D361 PolarHBondContact NE2-O 3.23Å; Q52-K362 PolarHBondContact NE2-O 3.28Å; Q52-K362 VanDerWaalsContact NE2-O 3.09Å
53	D	97.1	Very high	96.3	Very high	123 Å²	123	61.4 Å²	61.4	66%	0.658	33%	0.325	S	S	*	.			trans	-73.9	101	172.9	-178.8	13.4	0	0	0	110.3	R58	D53-R58 VanDerWaalsContact OD1-CD 3.28Å; D53-R58 WeakPolarHBondContact OD1-CD 3.41Å; D53-R58 WeakPolarHBondContact OD1-CG 3.21Å; D53-R58 IonicContact OD1-CZ 3.45Å; D53-R58 IonicContact OD1-NE 2.61Å; D53-R58 PolarHBondContact OD1-NE 3.08Å; D53-R58 IonicContact OD1-NH2 3.71Å; D53-R58 IonicContact OD2-NE 3.67Å
54	T	97.4	Very high	96.6	Very high	22 Å²	22	57.2 Å²	57.2	14%	0.135	30%	0.297	C	S	.	.			trans	-127.3	160.2	178.7	71.6	0	0	0	0	109.7	Q52 L56 S57 R58 P364	Q52-T54 HydrophobicContact CB-CG2 4.14Å; Q52-T54 PolarHBondContact O-N 3.4Å; Q52-T54 VanDerWaalsContact O-N 3.09Å; T54-L56 PolarHBondContact O-N 3.12Å; T54-S57 PolarHBondContact N-OG 3.45Å; T54-S57 PolarHBondContact O-N 3.02Å; T54-S57 PolarHBondContact O-OG 3.43Å; T54-S57 PolarHBondContact OG1-N 3.36Å; T54-S57 PolarHBondContact OG1-OG 3.01Å; T54-R58 PolarHBondContact O-N 3.02Å; T54-P364 HydrophobicContact CG2-CB 3.85Å
55	P	97.3	Very high	96.9	Very high	81 Å²	81	57.1 Å²	57.1	53%	0.526	30%	0.298	S	S	.	.	H	α-helix	trans	-55.4	-35.9	173.4	-26.8	36	0	0	0	112.9	Y59 W407	P55-Y59 WeakPolarHBondContact O-CB 3.2Å; P55-Y59 PolarHBondContact O-N 2.84Å; P55-Y59 VanDerWaalsContact O-N 3.12Å; P55-W407 HydrophobicContact CB-CH2 3.88Å; P55-W407 HydrophobicContact CB-CZ2 4.39Å
56	L	96.7	Very high	97	Very high	26 Å²	26	56.1 Å²	56.1	14%	0.136	29%	0.287	C	S	.	.	H	α-helix	trans	-68.9	-50.3	176.8	175.8	60.9	0	0	0	111.2	T54 R58 Y59 L60 P336 I404 W407	T54-L56 PolarHBondContact O-N 3.12Å; L56-R58 PolarHBondContact O-N 3.28Å; L56-Y59 WeakPolarHBondContact O-CB 3.28Å; L56-Y59 PolarHBondContact O-N 2.76Å; L56-Y59 VanDerWaalsContact O-N 3.09Å; L56-L60 HydrophobicContact CD1-CD1 3.74Å; L56-L60 HydrophobicContact CD1-CD2 4.37Å; L56-L60 HydrophobicContact CD1-CG 3.87Å; L56-L60 HydrophobicContact CD2-CD1 4.38Å; L56-L60 HydrophobicContact CG-CD1 3.68Å; L56-L60 HydrophobicContact CG-CG 4.27Å; L56-L60 VanDerWaalsContact O-CG 3.29Å; L56-L60 WeakPolarHBondContact O-CG 3.44Å; L56-L60 PolarHBondContact O-N 2.56Å; L56-P336 HydrophobicContact CD2-CB 4.16Å; L56-P336 HydrophobicContact CD2-CG 3.76Å; L56-I404 HydrophobicContact CD1-CD1 4.02Å; L56-W407 HydrophobicContact CB-CZ2 4.26Å; L56-W407 HydrophobicContact CD1-CD2 3.96Å; L56-W407 HydrophobicContact CD1-CG 3.81Å
57	S	97.1	Very high	97.1	Very high	8 Å²	8	52.7 Å²	52.7	6%	0.056	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-41.5	-178.1	64.6	0	0	0	0	112	Q52 T54 Y59 L60 L61	Q52-S57 WeakPolarHBondContact O-CB 3.45Å; Q52-S57 PolarHBondContact O-OG 3.22Å; T54-S57 PolarHBondContact N-OG 3.45Å; T54-S57 PolarHBondContact O-N 3.02Å; T54-S57 PolarHBondContact O-OG 3.43Å; T54-S57 PolarHBondContact OG1-N 3.36Å; T54-S57 PolarHBondContact OG1-OG 3.01Å; S57-Y59 VanDerWaalsContact C-N 3.34Å; S57-Y59 PolarHBondContact O-N 3.5Å; S57-L60 PolarHBondContact O-N 3Å; S57-L61 WeakPolarHBondContact O-CB 3.3Å; S57-L61 WeakPolarHBondContact O-CG 3.28Å; S57-L61 PolarHBondContact O-N 3.25Å
58	R	97.6	Very high	97	Very high	144 Å²	144	55.4 Å²	55.4	54%	0.543	29%	0.285	S	S	.	.	H	α-helix	trans	-60.3	-40.9	172	-79.7	-173.9	-87.6	136.2	-7.7	113	D53 T54 L56 K62	D53-R58 VanDerWaalsContact OD1-CD 3.28Å; D53-R58 WeakPolarHBondContact OD1-CD 3.41Å; D53-R58 WeakPolarHBondContact OD1-CG 3.21Å; D53-R58 IonicContact OD1-CZ 3.45Å; D53-R58 IonicContact OD1-NE 2.61Å; D53-R58 PolarHBondContact OD1-NE 3.08Å; D53-R58 IonicContact OD1-NH2 3.71Å; D53-R58 IonicContact OD2-NE 3.67Å; T54-R58 PolarHBondContact O-N 3.02Å; L56-R58 PolarHBondContact O-N 3.28Å; R58-K62 WeakPolarHBondContact O-CB 3.38Å; R58-K62 PolarHBondContact O-N 3.13Å
59	Y	97.7	Very high	96.8	Very high	53 Å²	53	56.2 Å²	56.2	21%	0.208	29%	0.286	C	S	.	.	H	α-helix	trans	-66	-43.6	176.9	177.6	-92.1	0	0	0	111.7	P55 L56 S57 K62 S63 A403 W407	P55-Y59 WeakPolarHBondContact O-CB 3.2Å; P55-Y59 PolarHBondContact O-N 2.84Å; P55-Y59 VanDerWaalsContact O-N 3.12Å; L56-Y59 WeakPolarHBondContact O-CB 3.28Å; L56-Y59 PolarHBondContact O-N 2.76Å; L56-Y59 VanDerWaalsContact O-N 3.09Å; S57-Y59 VanDerWaalsContact C-N 3.34Å; S57-Y59 PolarHBondContact O-N 3.5Å; Y59-K62 PolarHBondContact O-N 3.29Å; Y59-S63 WeakPolarHBondContact CE1-OG 3.44Å; Y59-S63 WeakPolarHBondContact CE2-OG 3.24Å; Y59-S63 VanDerWaalsContact CZ-OG 3.3Å; Y59-S63 VanDerWaalsContact O-CB 3.26Å; Y59-S63 WeakPolarHBondContact O-CB 3.31Å; Y59-S63 PolarHBondContact O-N 3.13Å; Y59-S63 PolarHBondContact O-OG 3.26Å; Y59-A403 HydrophobicContact CE1-CB 4.4Å; Y59-A403 WeakPolarHBondContact CE1-O 3.28Å; Y59-W407 HydrophobicContact CD1-CB 3.94Å; Y59-W407 HydrophobicContact CD1-CD2 4.18Å; Y59-W407 AromaticContact CD1-CE3 3.59Å; Y59-W407 HydrophobicContact CD1-CE3 3.59Å; Y59-W407 HydrophobicContact CD1-CG 4.37Å; Y59-W407 HydrophobicContact CD1-CZ3 4.4Å; Y59-W407 AromaticContact CD2-CE3 3.73Å; Y59-W407 HydrophobicContact CD2-CE3 3.73Å; Y59-W407 HydrophobicContact CD2-CZ3 4Å; Y59-W407 HydrophobicContact CE1-CB 3.72Å; Y59-W407 HydrophobicContact CE1-CE3 4.16Å; Y59-W407 HydrophobicContact CE2-CE3 4.28Å; Y59-W407 HydrophobicContact CG-CD2 4.33Å; Y59-W407 AromaticContact CG-CE3 3.34Å; Y59-W407 HydrophobicContact CG-CE3 3.34Å; Y59-W407 AromaticContact CG-CZ3 3.74Å; Y59-W407 HydrophobicContact CG-CZ3 3.74Å
60	L	97.6	Very high	96.6	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-46	179.3	-69.5	167	0	0	0	111.6	L56 S57 K62 S63 C64 M367 Y400 A403 I404	L56-L60 HydrophobicContact CD1-CD1 3.74Å; L56-L60 HydrophobicContact CD1-CD2 4.37Å; L56-L60 HydrophobicContact CD1-CG 3.87Å; L56-L60 HydrophobicContact CD2-CD1 4.38Å; L56-L60 HydrophobicContact CG-CD1 3.68Å; L56-L60 HydrophobicContact CG-CG 4.27Å; L56-L60 VanDerWaalsContact O-CG 3.29Å; L56-L60 WeakPolarHBondContact O-CG 3.44Å; L56-L60 PolarHBondContact O-N 2.56Å; S57-L60 PolarHBondContact O-N 3Å; L60-K62 PolarHBondContact O-N 2.95Å; L60-S63 PolarHBondContact O-N 3.45Å; L60-S63 VanDerWaalsContact O-N 3.15Å; L60-C64 VanDerWaalsContact O-CB 3.29Å; L60-C64 WeakPolarHBondContact O-CB 3.29Å; L60-C64 PolarHBondContact O-N 3.07Å; L60-M367 HydrophobicContact CB-CE 4.11Å; L60-M367 HydrophobicContact CD1-CE 4.27Å; L60-Y400 HydrophobicContact CB-CE2 4.5Å; L60-Y400 HydrophobicContact CD1-CE2 3.71Å; L60-Y400 HydrophobicContact CD2-CD2 4.17Å; L60-Y400 HydrophobicContact CD2-CE2 3.93Å; L60-Y400 HydrophobicContact CG-CE2 4.25Å; L60-A403 HydrophobicContact CD2-CB 3.87Å; L60-I404 HydrophobicContact CD1-CD1 4.08Å; L60-I404 HydrophobicContact CD2-CD1 3.68Å; L60-I404 HydrophobicContact CD2-CG1 3.89Å; L60-I404 HydrophobicContact CG-CD1 4.4Å
61	L	96.7	Very high	96.3	Very high	60 Å²	60	56.7 Å²	56.7	31%	0.314	29%	0.287	S	S	.	.	H	α-helix	trans	-59.9	-32.2	176.3	-73.3	173.6	0	0	0	113	I49 S57 L67 M367	I49-L61 HydrophobicContact CB-CD2 4.32Å; I49-L61 HydrophobicContact CG1-CD2 4.02Å; I49-L61 HydrophobicContact CG2-CD2 4.05Å; S57-L61 WeakPolarHBondContact O-CB 3.3Å; S57-L61 WeakPolarHBondContact O-CG 3.28Å; S57-L61 PolarHBondContact O-N 3.25Å; L61-L67 HydrophobicContact CD2-CB 4.32Å; L61-M367 HydrophobicContact CG-CE 4.29Å
62	K	96.7	Very high	96	Very high	180 Å²	180	59.5 Å²	59.5	78%	0.783	30%	0.298	S	S	*	.	H	α-helix	trans	-79	-36.6	176	-175.8	177.4	178.9	178.4	0	112.9	R58 Y59 L60	R58-K62 WeakPolarHBondContact O-CB 3.38Å; R58-K62 PolarHBondContact O-N 3.13Å; Y59-K62 PolarHBondContact O-N 3.29Å; L60-K62 PolarHBondContact O-N 2.95Å
63	S	96.6	Very high	95.8	Very high	41 Å²	41	56.5 Å²	56.5	29%	0.287	28%	0.284	S	S	.	.	H	α-helix	trans	-96.9	-12.8	-169.5	-48.7	0	0	0	0	113.3	Y59 L60 P65	Y59-S63 WeakPolarHBondContact CE1-OG 3.44Å; Y59-S63 WeakPolarHBondContact CE2-OG 3.24Å; Y59-S63 VanDerWaalsContact CZ-OG 3.3Å; Y59-S63 VanDerWaalsContact O-CB 3.26Å; Y59-S63 WeakPolarHBondContact O-CB 3.31Å; Y59-S63 PolarHBondContact O-N 3.13Å; Y59-S63 PolarHBondContact O-OG 3.26Å; L60-S63 PolarHBondContact O-N 3.45Å; L60-S63 VanDerWaalsContact O-N 3.15Å; S63-P65 VanDerWaalsContact C-CD 3.42Å; S63-P65 VanDerWaalsContact O-CD 3.28Å; S63-P65 WeakPolarHBondContact O-CD 3.21Å
64	C	96.9	Very high	95.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.			trans	-116.4	80.7	173.8	-174.9	0	0	0	0	110.5	L60 M66 L67 E399	L60-C64 VanDerWaalsContact O-CB 3.29Å; L60-C64 WeakPolarHBondContact O-CB 3.29Å; L60-C64 PolarHBondContact O-N 3.07Å; C64-M66 PolarHBondContact O-N 2.68Å; C64-M66 VanDerWaalsContact O-N 3.09Å; C64-L67 HydrophobicContact CB-CD1 4.04Å; C64-L67 HydrophobicContact CB-CG 4.33Å; C64-L67 PolarHBondContact O-N 3.36Å; C64-E399 WeakPolarHBondContact CA-OE1 3.37Å; C64-E399 HydrophobicContact CB-CG 4.38Å; C64-E399 PolarHBondContact SG-OE1 2.76Å
65	P	95.5	Very high	95	Very high	40 Å²	40	54 Å²	54	26%	0.26	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-43.5	-32.7	170.8	-30.9	33.3	0	0	0	116.4	S63 L67 S68 K69 E399	S63-P65 VanDerWaalsContact C-CD 3.42Å; S63-P65 VanDerWaalsContact O-CD 3.28Å; S63-P65 WeakPolarHBondContact O-CD 3.21Å; P65-L67 PolarHBondContact O-N 2.81Å; P65-S68 CarbonylContact O-C 3.59Å; P65-S68 PolarHBondContact O-N 2.63Å; P65-S68 PolarHBondContact O-OG 2.8Å; P65-K69 HydrophobicContact CB-CD 3.9Å; P65-K69 HydrophobicContact CB-CG 4.35Å; P65-K69 VanDerWaalsContact O-CB 3.3Å; P65-K69 WeakPolarHBondContact O-CB 3.49Å; P65-K69 WeakPolarHBondContact O-CG 3.34Å; P65-K69 PolarHBondContact O-N 3.33Å; P65-E399 WeakPolarHBondContact CD-OE1 3.46Å
66	M	95.5	Very high	94.5	Very high	18 Å²	18	53.6 Å²	53.6	9%	0.089	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-59.1	-27.2	179	-70.8	-66	-67.5	0	0	112.9	C64 W392 K395 V396 E399	C64-M66 PolarHBondContact O-N 2.68Å; C64-M66 VanDerWaalsContact O-N 3.09Å; M66-W392 HydrophobicContact CE-CB 3.96Å; M66-W392 HydrophobicContact CE-CD2 3.81Å; M66-W392 HydrophobicContact CE-CG 3.34Å; M66-W392 VanDerWaalsContact CE-NE1 3.32Å; M66-W392 WeakPolarHBondContact CE-O 3.39Å; M66-W392 VanDerWaalsContact O-CZ2 3.27Å; M66-W392 WeakPolarHBondContact O-CZ2 3.34Å; M66-W392 PolarHBondContact O-NE1 3.49Å; M66-K395 HydrophobicContact CE-CB 3.58Å; M66-K395 HydrophobicContact CE-CD 4.3Å; M66-K395 HydrophobicContact CG-CB 4.33Å; M66-K395 HydrophobicContact SD-CB 4.04Å; M66-K395 HydrophobicContact SD-CD 4.44Å; M66-V396 HydrophobicContact CB-CB 3.82Å; M66-V396 HydrophobicContact CB-CG2 3.77Å; M66-V396 HydrophobicContact CE-CB 4.29Å; M66-V396 HydrophobicContact CG-CB 4.39Å; M66-E399 WeakPolarHBondContact CG-OE1 3.34Å; M66-E399 WeakPolarHBondContact CG-OE2 3.34Å; M66-E399 PolarHBondContact N-OE1 3.26Å
67	L	96.5	Very high	94.1	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-83.3	-14.6	176.3	-62.8	175	0	0	0	113.8	I49 L61 C64 P65 L338 M367 A369 V396 Y400	I49-L67 HydrophobicContact CD1-CB 4.13Å; I49-L67 HydrophobicContact CD1-CD2 3.89Å; L61-L67 HydrophobicContact CD2-CB 4.32Å; C64-L67 HydrophobicContact CB-CD1 4.04Å; C64-L67 HydrophobicContact CB-CG 4.33Å; C64-L67 PolarHBondContact O-N 3.36Å; P65-L67 PolarHBondContact O-N 2.81Å; L67-L338 HydrophobicContact CD2-CD1 4.42Å; L67-M367 HydrophobicContact CD1-SD 3.64Å; L67-A369 HydrophobicContact CD2-CB 3.91Å; L67-V396 HydrophobicContact CD2-CG2 3.8Å; L67-V396 HydrophobicContact CG-CG2 4.21Å; L67-Y400 HydrophobicContact CD1-CD2 4.14Å
68	S	94.1	Very high	93.7	Very high	62 Å²	62	53.1 Å²	53.1	43%	0.434	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-10.2	-175.2	53.8	0	0	0	0	114.1	V46 P65	V46-S68 WeakPolarHBondContact CG1-O 3.34Å; P65-S68 CarbonylContact O-C 3.59Å; P65-S68 PolarHBondContact O-N 2.63Å; P65-S68 PolarHBondContact O-OG 2.8Å
69	K	94	Very high	93.5	Very high	133 Å²	133	47.3 Å²	47.3	58%	0.578	24%	0.236	S	C	*	.	S	Bend	trans	-93.7	151.9	174	-72.6	178.7	176.2	173.2	0	111.2	P47 P65 Y71	P47-K69 WeakPolarHBondContact CD-O 3.45Å; P65-K69 HydrophobicContact CB-CD 3.9Å; P65-K69 HydrophobicContact CB-CG 4.35Å; P65-K69 VanDerWaalsContact O-CB 3.3Å; P65-K69 WeakPolarHBondContact O-CB 3.49Å; P65-K69 WeakPolarHBondContact O-CG 3.34Å; P65-K69 PolarHBondContact O-N 3.33Å; K69-Y71 PolarHBondContact O-N 3.47Å
70	E	93.5	Very high	93.3	Very high	88 Å²	88	45.3 Å²	45.3	41%	0.411	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-62.5	130.7	173.9	-174.5	171.9	-161.9	0	0	110.7	T44 V46 I72	T44-E70 WeakPolarHBondContact CB-OE1 3.49Å; T44-E70 PolarHBondContact OG1-OE1 3.13Å; V46-E70 HydrophobicContact CG2-CB 4.42Å; E70-I72 HydrophobicContact CG-CG1 4.24Å
71	Y	92.6	Very high	93.1	Very high	5 Å²	5	45.3 Å²	45.3	2%	0.02	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-81.3	122.3	170.6	165.2	-119.9	0	0	0	109.5	A45 K69 P73 Q84 H373 F379 F380 E381 W392	A45-Y71 PolarHBondContact O-N 3.5Å; K69-Y71 PolarHBondContact O-N 3.47Å; Y71-P73 HydrophobicContact CE1-CB 3.9Å; Y71-P73 HydrophobicContact CE1-CG 4Å; Y71-P73 HydrophobicContact CE2-CB 4.46Å; Y71-P73 VanDerWaalsContact O-CD 3.26Å; Y71-P73 WeakPolarHBondContact O-CD 3.26Å; Y71-Q84 PolarHBondContact OH-OE1 3.23Å; Y71-H373 HydrophobicContact CD1-CB 4.3Å; Y71-H373 WeakPolarHBondContact CD1-O 3.24Å; Y71-H373 HydrophobicContact CE1-CB 3.82Å; Y71-H373 WeakPolarHBondContact CE1-O 3.38Å; Y71-F379 WeakPolarHBondContact OH-CA 3.35Å; Y71-F380 PolarHBondContact OH-N 2.99Å; Y71-F380 VanDerWaalsContact OH-N 3.11Å; Y71-F380 PolarHBondContact OH-O 3.47Å; Y71-E381 HydrophobicContact CD2-CG 4.09Å; Y71-E381 HydrophobicContact CE2-CG 3.74Å; Y71-W392 HydrophobicContact CD2-CB 3.51Å; Y71-W392 AromaticContact CD2-CD1 3.48Å; Y71-W392 VanDerWaalsContact CD2-CD1 3.48Å; Y71-W392 HydrophobicContact CD2-CD2 4.44Å; Y71-W392 AromaticContact CD2-CG 3.54Å; Y71-W392 HydrophobicContact CD2-CG 3.54Å; Y71-W392 HydrophobicContact CE2-CB 3.54Å; Y71-W392 HydrophobicContact CE2-CG 4.07Å; Y71-W392 HydrophobicContact CG-CG 4.23Å
72	I	91.6	Very high	92.9	Very high	93 Å²	93	44.9 Å²	44.9	48%	0.477	23%	0.227	S	C	.	.			trans	-113.8	94	-175	-55.9	173.4	0	0	0	109.7	E70	E70-I72 HydrophobicContact CG-CG1 4.24Å
73	P	92.5	Very high	92.7	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.019	21%	0.205	C	C	.	.			trans	-77.7	162	173.5	33.6	-36.1	0	0	0	112.4	T44 Y71 L75 G78 K79 H373 F380	T44-P73 HydrophobicContact CG2-CG 4.31Å; Y71-P73 HydrophobicContact CE1-CB 3.9Å; Y71-P73 HydrophobicContact CE1-CG 4Å; Y71-P73 HydrophobicContact CE2-CB 4.46Å; Y71-P73 VanDerWaalsContact O-CD 3.26Å; Y71-P73 WeakPolarHBondContact O-CD 3.26Å; P73-L75 PolarHBondContact O-N 3.15Å; P73-G78 WeakPolarHBondContact CB-O 3.24Å; P73-K79 HydrophobicContact CG-CG 4.11Å; P73-H373 HydrophobicContact CG-CB 4.35Å; P73-F380 VanDerWaalsContact CA-O 3.26Å; P73-F380 WeakPolarHBondContact CA-O 3.45Å
74	P	91.1	Very high	92.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.			trans	-49.1	124.2	174.7	-30.4	35.9	0	0	0	112.8	I76 W77 G78 F380 G382 P387	P74-I76 VanDerWaalsContact C-N 3.28Å; P74-I76 PolarHBondContact O-N 3.37Å; P74-I76 VanDerWaalsContact O-N 3.12Å; P74-W77 HydrophobicContact CB-CD2 4.23Å; P74-W77 HydrophobicContact CB-CH2 4.41Å; P74-W77 HydrophobicContact CB-CZ2 3.8Å; P74-W77 HydrophobicContact CG-CH2 3.89Å; P74-W77 HydrophobicContact CG-CZ2 3.6Å; P74-W77 PolarHBondContact O-N 3.47Å; P74-G78 VanDerWaalsContact O-CA 3.24Å; P74-G78 WeakPolarHBondContact O-CA 3.29Å; P74-G78 PolarHBondContact O-N 3.17Å; P74-F380 WeakPolarHBondContact CD-O 3.42Å; P74-F380 HydrophobicContact CG-CB 4.29Å; P74-G382 WeakPolarHBondContact CA-O 3.01Å; P74-P387 HydrophobicContact CG-CB 4.2Å
75	L	87.3	Confident	92.2	Very high	93 Å²	93	37.9 Å²	37.9	49%	0.487	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-39.7	-167.8	-175.4	64.3	0	0	0	114.4	L40 P73 V384	L40-L75 WeakPolarHBondContact CD2-O 3.44Å; P73-L75 PolarHBondContact O-N 3.15Å; L75-V384 PolarHBondContact N-O 3.38Å
76	I	86.9	Confident	91.9	Very high	72 Å²	72	38.3 Å²	38.3	37%	0.369	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-29.1	-169	-63	175.4	0	0	0	112.7	L38 L40 P74 V384 L385	L38-I76 HydrophobicContact CD1-CG2 4.38Å; L38-I76 WeakPolarHBondContact CD1-O 3.4Å; L40-I76 VanDerWaalsContact CD2-O 3.24Å; L40-I76 WeakPolarHBondContact CD2-O 3.27Å; P74-I76 VanDerWaalsContact C-N 3.28Å; P74-I76 PolarHBondContact O-N 3.37Å; P74-I76 VanDerWaalsContact O-N 3.12Å; I76-V384 HydrophobicContact CD1-CG1 3.78Å; I76-V384 HydrophobicContact CG1-CG1 4.17Å; I76-V384 PolarHBondContact N-O 3.4Å; I76-L385 HydrophobicContact CD1-CD1 4.27Å
77	W	88.9	Confident	91.4	Very high	25 Å²	25	39.9 Å²	39.9	10%	0.095	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.2	-17.2	-171.6	58.6	-97.3	0	0	0	113.9	L38 P74 K79 S80 L83 Q84 L87 F380 L385 P387	L38-W77 HydrophobicContact CD2-CB 4.34Å; P74-W77 HydrophobicContact CB-CD2 4.23Å; P74-W77 HydrophobicContact CB-CH2 4.41Å; P74-W77 HydrophobicContact CB-CZ2 3.8Å; P74-W77 HydrophobicContact CG-CH2 3.89Å; P74-W77 HydrophobicContact CG-CZ2 3.6Å; P74-W77 PolarHBondContact O-N 3.47Å; W77-K79 PolarHBondContact O-N 3.06Å; W77-S80 WeakPolarHBondContact O-CB 3.26Å; W77-S80 PolarHBondContact O-N 3.16Å; W77-S80 VanDerWaalsContact O-N 3.08Å; W77-L83 HydrophobicContact CB-CD1 3.77Å; W77-Q84 HydrophobicContact CE3-CG 4.48Å; W77-Q84 HydrophobicContact CZ3-CG 4.13Å; W77-L87 HydrophobicContact CD2-CD1 3.84Å; W77-L87 HydrophobicContact CE3-CD1 3.44Å; W77-L87 VanDerWaalsContact CE3-CD1 3.44Å; W77-L87 HydrophobicContact CH2-CD1 3.74Å; W77-L87 HydrophobicContact CZ2-CD1 4.11Å; W77-L87 HydrophobicContact CZ3-CD1 3.39Å; W77-F380 HydrophobicContact CH2-CB 3.87Å; W77-F380 HydrophobicContact CH2-CD1 4.47Å; W77-F380 AromaticContact CH2-CD2 3.85Å; W77-F380 HydrophobicContact CH2-CD2 3.85Å; W77-F380 AromaticContact CH2-CG 3.82Å; W77-F380 HydrophobicContact CH2-CG 3.82Å; W77-F380 HydrophobicContact CZ3-CB 4.29Å; W77-F380 AromaticContact CZ3-CD2 3.86Å; W77-F380 HydrophobicContact CZ3-CD2 3.86Å; W77-F380 HydrophobicContact CZ3-CG 4.24Å; W77-L385 PolarHBondContact NE1-O 2.98Å; W77-P387 HydrophobicContact CH2-CB 4.22Å; W77-P387 HydrophobicContact CH2-CG 4.26Å; W77-P387 HydrophobicContact CZ2-CB 4.16Å; W77-P387 HydrophobicContact CZ2-CG 4.05Å
78	G	89	Confident	90.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-13.4	-174.2	0	0	0	0	0	113.6	P73 P74 S80 Q84	P73-G78 WeakPolarHBondContact CB-O 3.24Å; P74-G78 VanDerWaalsContact O-CA 3.24Å; P74-G78 WeakPolarHBondContact O-CA 3.29Å; P74-G78 PolarHBondContact O-N 3.17Å; G78-S80 VanDerWaalsContact C-N 3.29Å; G78-Q84 PolarHBondContact O-NE2 3.42Å
79	K	93.2	Very high	89.9	Confident	22 Å²	22	41.3 Å²	41.3	10%	0.096	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-3.3	172.9	-59.3	-179.5	-177.8	-176	0	113.7	N39 L40 S42 P73 W77 H373	N39-K79 HydrophobicContact CB-CB 4.27Å; N39-K79 WeakPolarHBondContact CB-O 3.47Å; N39-K79 PolarHBondContact ND2-O 3.14Å; N39-K79 WeakPolarHBondContact O-CB 3.38Å; L40-K79 PolarHBondContact O-NZ 3.45Å; S42-K79 VanDerWaalsContact O-CD 3.29Å; S42-K79 WeakPolarHBondContact O-CD 3.23Å; S42-K79 WeakPolarHBondContact O-CE 3.14Å; S42-K79 PolarHBondContact O-NZ 3.1Å; P73-K79 HydrophobicContact CG-CG 4.11Å; W77-K79 PolarHBondContact O-N 3.06Å; K79-H373 PolarHBondContact O-CE1 3.27Å; K79-H373 PolarHBondContact O-ND1 3.24Å
80	S	93.4	Very high	88.9	Confident	10 Å²	10	43.9 Å²	43.9	7%	0.07	24%	0.238	C	C	.	.			trans	-98.4	105.2	175.3	-177.6	0	0	0	0	110.1	C37 W77 G78 H82 L83 Q84	C37-S80 PolarHBondContact O-OG 3.34Å; C37-S80 VanDerWaalsContact O-OG 3.05Å; W77-S80 WeakPolarHBondContact O-CB 3.26Å; W77-S80 PolarHBondContact O-N 3.16Å; W77-S80 VanDerWaalsContact O-N 3.08Å; G78-S80 VanDerWaalsContact C-N 3.29Å; S80-H82 PolarHBondContact O-N 2.89Å; S80-L83 PolarHBondContact O-N 2.94Å; S80-Q84 PolarHBondContact O-N 2.91Å
81	G	92.9	Very high	87.6	Confident	5 Å²	5	44.6 Å²	44.6	5%	0.052	24%	0.242	C	C	.	.	H	α-helix	trans	-55.4	-32.7	176.3	0	0	0	0	0	113.5	T85 D344 G375	G81-T85 VanDerWaalsContact O-CB 3.3Å; G81-T85 WeakPolarHBondContact O-CB 3.18Å; G81-T85 PolarHBondContact O-N 3.47Å; G81-T85 PolarHBondContact O-OG1 3.08Å; G81-D344 VanDerWaalsContact CA-OD2 3.26Å; G81-D344 WeakPolarHBondContact CA-OD2 3.47Å; G81-D344 PolarHBondContact N-OD2 2.89Å; G81-D344 VanDerWaalsContact N-OD2 3.08Å; G81-G375 WeakPolarHBondContact O-CA 3.05Å
82	H	92.6	Very high	86.5	Confident	51 Å²	51	44.9 Å²	44.9	24%	0.236	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-49.4	172.4	-76.8	-55	0	0	0	113.1	S80 T85 A86 Q256 Y261 P346	S80-H82 PolarHBondContact O-N 2.89Å; H82-T85 PolarHBondContact O-N 3.31Å; H82-A86 VanDerWaalsContact O-CB 3.3Å; H82-A86 WeakPolarHBondContact O-CB 3.15Å; H82-A86 PolarHBondContact O-N 3.01Å; H82-Q256 PolarHBondContact CE1-O 3.23Å; H82-Q256 PolarHBondContact NE2-OE1 3.26Å; H82-Y261 AromaticContact CE1-CE2 3.75Å; H82-Y261 AromaticContact ND1-CE2 3.44Å; H82-Y261 WeakPolarHBondContact ND1-CE2 3.37Å; H82-Y261 AromaticContact ND1-CZ 3.66Å; H82-Y261 PolarHBondContact ND1-OH 3.25Å; H82-Y261 PolarHBondContact O-OH 2.92Å; H82-P346 WeakPolarHBondContact CE1-CB 3.47Å
83	L	91.7	Very high	86	Confident	61 Å²	61	40.8 Å²	40.8	32%	0.319	23%	0.225	S	C	.	.	H	α-helix	trans	-67.8	-42.4	179.8	-68.6	-178	0	0	0	111.3	L38 W77 S80 T85 A86 L87	L38-L83 HydrophobicContact CD2-CD1 3.29Å; W77-L83 HydrophobicContact CB-CD1 3.77Å; S80-L83 PolarHBondContact O-N 2.94Å; L83-T85 VanDerWaalsContact C-N 3.33Å; L83-T85 PolarHBondContact O-N 3.37Å; L83-A86 PolarHBondContact O-N 3.5Å; L83-L87 VanDerWaalsContact O-CB 3.24Å; L83-L87 WeakPolarHBondContact O-CB 3.41Å; L83-L87 VanDerWaalsContact O-CG 3.22Å; L83-L87 WeakPolarHBondContact O-CG 3.48Å; L83-L87 PolarHBondContact O-N 2.75Å
84	Q	92.7	Very high	85	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-55.6	-48.8	173.1	-74.4	-152.9	65	0	0	111.4	Y71 W77 G78 S80 A86 Y88 G374 F380	Y71-Q84 PolarHBondContact OH-OE1 3.23Å; W77-Q84 HydrophobicContact CE3-CG 4.48Å; W77-Q84 HydrophobicContact CZ3-CG 4.13Å; G78-Q84 PolarHBondContact O-NE2 3.42Å; S80-Q84 PolarHBondContact O-N 2.91Å; Q84-A86 PolarHBondContact O-N 3.45Å; Q84-Y88 VanDerWaalsContact O-CB 3.22Å; Q84-Y88 WeakPolarHBondContact O-CB 3.21Å; Q84-Y88 PolarHBondContact O-N 3.1Å; Q84-G374 PolarHBondContact OE1-O 2.85Å; Q84-F380 HydrophobicContact CB-CD2 4.41Å; Q84-F380 HydrophobicContact CG-CD2 4.32Å; Q84-F380 VanDerWaalsContact OE1-N 3.11Å
85	T	91.4	Very high	84.6	Confident	12 Å²	12	47.8 Å²	47.8	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-43.6	179	-55.2	0	0	0	0	112.2	G81 H82 L83 G89 Y261 P346 L347 H376	G81-T85 VanDerWaalsContact O-CB 3.3Å; G81-T85 WeakPolarHBondContact O-CB 3.18Å; G81-T85 PolarHBondContact O-N 3.47Å; G81-T85 PolarHBondContact O-OG1 3.08Å; H82-T85 PolarHBondContact O-N 3.31Å; L83-T85 VanDerWaalsContact C-N 3.33Å; L83-T85 PolarHBondContact O-N 3.37Å; T85-G89 PolarHBondContact O-N 3.38Å; T85-Y261 HydrophobicContact CG2-CD1 4.41Å; T85-Y261 HydrophobicContact CG2-CE1 3.7Å; T85-P346 HydrophobicContact CG2-CG 4.07Å; T85-P346 VanDerWaalsContact OG1-CD 3.28Å; T85-P346 WeakPolarHBondContact OG1-CD 3.09Å; T85-P346 VanDerWaalsContact OG1-CG 3.22Å; T85-P346 WeakPolarHBondContact OG1-CG 3.36Å; T85-L347 HydrophobicContact CG2-CD1 4Å; T85-H376 HydrophobicContact CG2-CB 3.81Å; T85-H376 PolarHBondContact OG1-N 3.25Å
86	A	87.9	Confident	84.5	Confident	50 Å²	50	44.8 Å²	44.8	41%	0.413	26%	0.258	S	S	.	.	H	α-helix	trans	-70.8	-42.3	-178.2	0	0	0	0	0	112.2	H82 L83 Q84 Y88 G89 K90	H82-A86 VanDerWaalsContact O-CB 3.3Å; H82-A86 WeakPolarHBondContact O-CB 3.15Å; H82-A86 PolarHBondContact O-N 3.01Å; L83-A86 PolarHBondContact O-N 3.5Å; Q84-A86 PolarHBondContact O-N 3.45Å; A86-Y88 VanDerWaalsContact C-N 3.35Å; A86-G89 PolarHBondContact O-N 2.76Å; A86-K90 WeakPolarHBondContact O-CB 3.44Å; A86-K90 PolarHBondContact O-N 3.18Å
87	L	85.1	Confident	84.7	Confident	50 Å²	50	43 Å²	43	26%	0.262	25%	0.251	S	S	.	.	H	α-helix	trans	-64.7	-41.8	175.7	-71.6	171.2	0	0	0	110.7	W77 L83 K90 M91 F380	W77-L87 HydrophobicContact CD2-CD1 3.84Å; W77-L87 HydrophobicContact CE3-CD1 3.44Å; W77-L87 VanDerWaalsContact CE3-CD1 3.44Å; W77-L87 HydrophobicContact CH2-CD1 3.74Å; W77-L87 HydrophobicContact CZ2-CD1 4.11Å; W77-L87 HydrophobicContact CZ3-CD1 3.39Å; L83-L87 VanDerWaalsContact O-CB 3.24Å; L83-L87 WeakPolarHBondContact O-CB 3.41Å; L83-L87 VanDerWaalsContact O-CG 3.22Å; L83-L87 WeakPolarHBondContact O-CG 3.48Å; L83-L87 PolarHBondContact O-N 2.75Å; L87-K90 PolarHBondContact O-N 3.42Å; L87-M91 HydrophobicContact CD2-SD 3.88Å; L87-M91 WeakPolarHBondContact O-CA 3.41Å; L87-M91 WeakPolarHBondContact O-CB 3.36Å; L87-M91 PolarHBondContact O-N 3.22Å; L87-F380 HydrophobicContact CB-CE2 4.37Å
88	Y	83.2	Confident	84.8	Confident	31 Å²	31	47.3 Å²	47.3	12%	0.122	28%	0.28	C	S	.	.	H	α-helix	trans	-57.5	-49.6	169.8	171.9	-96.2	0	0	0	111.6	Q84 A86 K90 G92 Y147 M377	Q84-Y88 VanDerWaalsContact O-CB 3.22Å; Q84-Y88 WeakPolarHBondContact O-CB 3.21Å; Q84-Y88 PolarHBondContact O-N 3.1Å; A86-Y88 VanDerWaalsContact C-N 3.35Å; Y88-K90 VanDerWaalsContact C-N 3.31Å; Y88-K90 PolarHBondContact O-N 3.25Å; Y88-G92 WeakPolarHBondContact O-CA 3.39Å; Y88-G92 PolarHBondContact O-N 3.28Å; Y88-Y147 HydrophobicContact CE2-CD1 4.24Å; Y88-Y147 AromaticContact CE2-CG 3.9Å; Y88-Y147 HydrophobicContact CE2-CG 3.9Å; Y88-Y147 AromaticContact CZ-CD1 3.93Å; Y88-Y147 AromaticContact CZ-CG 3.97Å; Y88-Y147 WeakPolarHBondContact OH-CD1 3.3Å; Y88-Y147 VanDerWaalsContact OH-CE1 3.24Å; Y88-Y147 WeakPolarHBondContact OH-CE1 3.44Å; Y88-M377 HydrophobicContact CD1-CB 3.84Å; Y88-M377 HydrophobicContact CD2-CB 4.18Å; Y88-M377 WeakPolarHBondContact CD2-O 3.42Å; Y88-M377 HydrophobicContact CE1-CB 3.52Å; Y88-M377 HydrophobicContact CE1-CG 4.24Å; Y88-M377 HydrophobicContact CE2-CB 3.84Å; Y88-M377 WeakPolarHBondContact CE2-O 3.23Å; Y88-M377 HydrophobicContact CG-CB 4.15Å
89	G	76.3	Confident	85	Confident	63 Å²	63	48.2 Å²	48.2	65%	0.649	29%	0.286	S	S	*	.	H	α-helix	trans	-62.9	-34	-179.5	0	0	0	0	0	114	T85 A86	T85-G89 PolarHBondContact O-N 3.38Å; A86-G89 PolarHBondContact O-N 2.76Å
90	K	73	Confident	85.1	Confident	188 Å²	188	52.8 Å²	52.8	82%	0.817	32%	0.319	S	S	*	.	H	α-helix	trans	-89.7	-44.8	-176.3	-174.4	178.4	179.3	-178	0	113.5	A86 L87 Y88	A86-K90 WeakPolarHBondContact O-CB 3.44Å; A86-K90 PolarHBondContact O-N 3.18Å; L87-K90 PolarHBondContact O-N 3.42Å; Y88-K90 VanDerWaalsContact C-N 3.31Å; Y88-K90 PolarHBondContact O-N 3.25Å
91	M	66.5	Low	85.1	Confident	102 Å²	102	54 Å²	54	50%	0.502	33%	0.333	S	S	.	.	H	α-helix	trans	-104.5	-17.9	-172.2	-60.4	175.1	64	0	0	111.9	L87 R93 N146	L87-M91 HydrophobicContact CD2-SD 3.88Å; L87-M91 WeakPolarHBondContact O-CA 3.41Å; L87-M91 WeakPolarHBondContact O-CB 3.36Å; L87-M91 PolarHBondContact O-N 3.22Å; M91-R93 PolarHBondContact O-N 3.37Å; M91-N146 PolarHBondContact O-ND2 2.88Å
92	G	70.5	Confident	85.3	Confident	12 Å²	12	58.6 Å²	58.6	12%	0.124	36%	0.356	C	S	.	.			trans	64.4	-105.2	-169.5	0	0	0	0	0	109.6	Y88	Y88-G92 WeakPolarHBondContact O-CA 3.39Å; Y88-G92 PolarHBondContact O-N 3.28Å
93	R	79.3	Confident	85.6	Confident	7 Å²	7	59.1 Å²	59.1	3%	0.026	36%	0.356	C	S	.	.	S	Bend	trans	-125.1	145.5	177.8	-58.5	-57.3	-169.8	78.6	4.7	110.6	M91 T96 T150 T391 D394	M91-R93 PolarHBondContact O-N 3.37Å; R93-T96 PolarHBondContact O-OG1 3.43Å; R93-T150 HydrophobicContact CB-CG2 4.49Å; R93-T150 WeakPolarHBondContact CB-OG1 3.32Å; R93-T150 HydrophobicContact CG-CG2 4.4Å; R93-T391 PolarHBondContact NH1-OG1 3.42Å; R93-T391 PolarHBondContact NH2-OG1 3.39Å; R93-T391 VanDerWaalsContact NH2-OG1 3.08Å; R93-D394 IonicContact CZ-OD1 3.31Å; R93-D394 IonicContact CZ-OD2 2.71Å; R93-D394 IonicContact NH1-OD1 3.58Å; R93-D394 PolarHBondContact NH1-OD1 3.09Å; R93-D394 IonicContact NH1-OD2 3.47Å; R93-D394 PolarHBondContact NH1-OD2 3.12Å; R93-D394 IonicContact NH2-OD1 2.63Å; R93-D394 PolarHBondContact NH2-OD1 3.4Å; R93-D394 IonicContact NH2-OD2 3.52Å; R93-D394 PolarHBondContact NH2-OD2 3.49Å
94	V	73.3	Confident	85.9	Confident	50 Å²	50	58.4 Å²	58.4	30%	0.303	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	138.4	176.9	-176.6	0	0	0	0	109.1	T96 P387 P389	V94-T96 PolarHBondContact O-N 3.04Å; V94-P387 HydrophobicContact CG2-CG 3.77Å; V94-P389 WeakPolarHBondContact O-CB 3.06Å
95	S	81.5	Confident	86.1	Confident	99 Å²	99	64 Å²	64	69%	0.692	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	50.8	178.4	-57	0	0	0	0	113.8
96	T	85.4	Confident	86.3	Confident	31 Å²	31	64.3 Å²	64.3	19%	0.19	38%	0.376	C	S	.	.			trans	-67.7	125.5	-175.5	-64.4	0	0	0	0	112	R93 V94 N146 R149	R93-T96 PolarHBondContact O-OG1 3.43Å; V94-T96 PolarHBondContact O-N 3.04Å; T96-N146 HydrophobicContact CG2-CB 3.83Å; T96-N146 WeakPolarHBondContact CG2-O 3.31Å; T96-N146 WeakPolarHBondContact OG1-CB 3.22Å; T96-R149 HydrophobicContact CG2-CB 3.82Å
97	P	90.9	Very high	86.7	Confident	34 Å²	34	67.6 Å²	67.6	22%	0.221	39%	0.393	C	S	.	.			trans	-73.5	166.4	176.7	30.1	-34	0	0	0	112.3	P99 R149 D153	P97-P99 VanDerWaalsContact C-CD 3.48Å; P97-P99 VanDerWaalsContact O-CD 3.3Å; P97-P99 WeakPolarHBondContact O-CD 3.15Å; P97-R149 PolarHBondContact O-NE 3.3Å; P97-R149 PolarHBondContact O-NH2 2.94Å; P97-D153 HydrophobicContact CB-CB 3.91Å; P97-D153 HydrophobicContact CG-CB 3.35Å
98	T	92.1	Very high	87.1	Confident	116 Å²	116	66.9 Å²	66.9	71%	0.712	39%	0.388	S	S	*	.			trans	-116.9	81.9	174.1	-45.7	0	0	0	0	110	C100 R149	T98-C100 PolarHBondContact O-N 3.03Å; T98-R149 PolarHBondContact OG1-NH2 3.13Å
99	P	92.9	Very high	87.5	Confident	19 Å²	19	75.5 Å²	75.5	12%	0.123	43%	0.43	C	S	.	.			trans	-52.3	135.9	172	-29.2	37.1	0	0	0	112	P97 F119 R149 V152 D153	P97-P99 VanDerWaalsContact C-CD 3.48Å; P97-P99 VanDerWaalsContact O-CD 3.3Å; P97-P99 WeakPolarHBondContact O-CD 3.15Å; P99-F119 HydrophobicContact CB-CD1 3.59Å; P99-F119 HydrophobicContact CB-CE1 3.6Å; P99-R149 HydrophobicContact CG-CB 4.42Å; P99-R149 WeakPolarHBondContact CG-O 3.44Å; P99-V152 HydrophobicContact CB-CG1 3.93Å; P99-V152 HydrophobicContact CG-CB 4.29Å; P99-V152 HydrophobicContact CG-CG1 3.99Å; P99-D153 HydrophobicContact CG-CB 4.01Å
100	C	93.7	Very high	88	Confident	118 Å²	118	75.2 Å²	75.2	80%	0.797	41%	0.414	S	S	*	.			trans	-87.5	112.4	172.3	-170.8	0	0	0	0	108.8	T98	T98-C100 PolarHBondContact O-N 3.03Å
101	G	94.6	Very high	88.8	Confident	34 Å²	34	68.4 Å²	68.4	35%	0.351	40%	0.396	S	S	.	.			trans	-125.5	157.3	179.4	0	0	0	0	0	112	L118 F119	G101-L118 CarbonylContact C-O 3.56Å; G101-L118 WeakPolarHBondContact CA-O 3.42Å; G101-F119 VanDerWaalsContact CA-CE1 3.42Å
102	L	97.4	Very high	90	Very high	102 Å²	102	63.5 Å²	63.5	53%	0.534	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117.4	175.2	179.9	60.7	0	0	0	110	K104 L118	L102-K104 HydrophobicContact CD2-CD 4.46Å; L102-K104 VanDerWaalsContact CD2-NZ 3.25Å; L102-K104 HydrophobicContact CG-CD 4.41Å; L102-L118 PolarHBondContact N-O 3.25Å; L102-L118 PolarHBondContact O-N 3.31Å
103	R	97.8	Very high	91.1	Very high	62 Å²	62	64.8 Å²	64.8	23%	0.234	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	130.8	173.2	-173.5	156.8	-66.4	161.2	6.8	111.1	F105 D117 E144	R103-F105 HydrophobicContact CB-CE2 4.25Å; R103-F105 HydrophobicContact CB-CZ 4.48Å; R103-F105 HydrophobicContact CG-CD2 4.44Å; R103-F105 HydrophobicContact CG-CE1 4.35Å; R103-F105 HydrophobicContact CG-CE2 3.8Å; R103-F105 HydrophobicContact CG-CZ 3.75Å; R103-D117 VanDerWaalsContact CA-OD1 3.23Å; R103-D117 WeakPolarHBondContact CA-OD1 3.46Å; R103-D117 WeakPolarHBondContact CB-OD1 3.45Å; R103-D117 WeakPolarHBondContact CG-OD1 3.42Å; R103-D117 IonicContact CZ-OD1 2.71Å; R103-D117 IonicContact CZ-OD2 3.47Å; R103-D117 IonicContact NE-OD1 2.86Å; R103-D117 PolarHBondContact NE-OD1 2.94Å; R103-D117 IonicContact NE-OD2 3.18Å; R103-D117 IonicContact NH2-OD1 3.48Å; R103-D117 IonicContact NH2-OD2 3.49Å; R103-D117 PolarHBondContact NH2-OD2 3.22Å; R103-E144 IonicContact CZ-OE1 2.64Å; R103-E144 IonicContact NH1-OE1 2.7Å; R103-E144 IonicContact NH2-OE1 3.08Å; R103-E144 PolarHBondContact NH2-OE1 2.89Å
104	K	97.9	Very high	91.9	Very high	47 Å²	47	64.5 Å²	64.5	20%	0.204	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	143.6	175	-60.4	-61.8	-174.8	172.1	0	109.2	L102 T115 F116 Y196	L102-K104 HydrophobicContact CD2-CD 4.46Å; L102-K104 VanDerWaalsContact CD2-NZ 3.25Å; L102-K104 HydrophobicContact CG-CD 4.41Å; K104-T115 VanDerWaalsContact O-CA 3.26Å; K104-T115 WeakPolarHBondContact O-CA 3.47Å; K104-T115 WeakPolarHBondContact O-CB 3.43Å; K104-F116 HydrophobicContact CB-CD1 3.84Å; K104-F116 HydrophobicContact CB-CD2 4.34Å; K104-F116 HydrophobicContact CB-CE1 3.35Å; K104-F116 HydrophobicContact CB-CE2 3.92Å; K104-F116 HydrophobicContact CB-CG 4.3Å; K104-F116 HydrophobicContact CB-CZ 3.4Å; K104-F116 HydrophobicContact CG-CD2 4.44Å; K104-F116 HydrophobicContact CG-CE1 4.01Å; K104-F116 HydrophobicContact CG-CE2 3.73Å; K104-F116 HydrophobicContact CG-CZ 3.48Å; K104-F116 VanDerWaalsContact CG-CZ 3.48Å; K104-F116 PolarHBondContact N-O 2.93Å; K104-F116 PolarHBondContact O-N 3.11Å; K104-Y196 HydrophobicContact CG-CE1 4.47Å; K104-Y196 PolarHBondContact NZ-OH 3.18Å
105	F	97.1	Very high	93.1	Very high	116 Å²	116	62.5 Å²	62.5	51%	0.509	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127	-179.4	-58.9	-97.7	0	0	0	108.3	R103 T113 T115 M174	R103-F105 HydrophobicContact CB-CE2 4.25Å; R103-F105 HydrophobicContact CB-CZ 4.48Å; R103-F105 HydrophobicContact CG-CD2 4.44Å; R103-F105 HydrophobicContact CG-CE1 4.35Å; R103-F105 HydrophobicContact CG-CE2 3.8Å; R103-F105 HydrophobicContact CG-CZ 3.75Å; F105-T113 HydrophobicContact CB-CG2 3.98Å; F105-T113 HydrophobicContact CD1-CG2 4.01Å; F105-T115 HydrophobicContact CD1-CG2 3.49Å; F105-T115 VanDerWaalsContact CD1-CG2 3.49Å; F105-T115 HydrophobicContact CE1-CG2 3.86Å; F105-T115 HydrophobicContact CG-CG2 4.21Å; F105-M174 HydrophobicContact CD1-CE 4.05Å; F105-M174 HydrophobicContact CE1-CE 3.65Å; F105-M174 HydrophobicContact CE1-SD 3.94Å
106	L	96.7	Very high	93.9	Very high	20 Å²	20	57.8 Å²	57.8	11%	0.105	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	103.2	-177	-60.3	-177.8	0	0	0	108.8	M108 A114 F116 A192 Y196	L106-M108 PolarHBondContact O-N 3.15Å; L106-A114 HydrophobicContact CB-CB 4.2Å; L106-A114 PolarHBondContact N-O 2.82Å; L106-A114 PolarHBondContact O-N 3.12Å; L106-F116 HydrophobicContact CD1-CD1 3.91Å; L106-F116 HydrophobicContact CD1-CE1 3.69Å; L106-F116 HydrophobicContact CD2-CE1 4.16Å; L106-F116 HydrophobicContact CG-CD1 4.24Å; L106-F116 HydrophobicContact CG-CE1 3.91Å; L106-A192 HydrophobicContact CD1-CB 3.98Å; L106-Y196 HydrophobicContact CD2-CD2 3.53Å; L106-Y196 HydrophobicContact CD2-CE2 4.21Å; L106-Y196 HydrophobicContact CD2-CG 4.15Å
107	P	95.6	Very high	94.5	Very high	118 Å²	118	56.9 Å²	56.9	77%	0.766	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	132.2	169.9	-20.1	32.4	0	0	0	110.2
108	M	94.3	Very high	94.9	Very high	35 Å²	35	55.9 Å²	55.9	17%	0.172	32%	0.318	C	S	.	.			trans	-108.3	160.9	179.1	-59.8	-175	69.2	0	0	110.7	L106 D110 G111 A112 A114 W188 E189	L106-M108 PolarHBondContact O-N 3.15Å; M108-D110 WeakPolarHBondContact CB-OD1 3.34Å; M108-D110 PolarHBondContact O-N 3.36Å; M108-G111 PolarHBondContact O-N 3.2Å; M108-G111 VanDerWaalsContact O-N 3.13Å; M108-A112 HydrophobicContact CB-CB 4.04Å; M108-A112 WeakPolarHBondContact CB-O 3.3Å; M108-A112 HydrophobicContact CG-CB 4.24Å; M108-A112 PolarHBondContact N-O 3.37Å; M108-A112 HydrophobicContact SD-CB 3.83Å; M108-A114 HydrophobicContact CG-CB 4.15Å; M108-A114 HydrophobicContact SD-CB 3.66Å; M108-W188 HydrophobicContact CE-CB 3.61Å; M108-E189 HydrophobicContact CE-CG 4.42Å; M108-E189 HydrophobicContact SD-CG 4.04Å
109	Q	90.1	Very high	95.2	Very high	213 Å²	213	50.9 Å²	50.9	100%	0.995	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.9	-175.1	-66.7	179.7	-1.9	0	0	113.6	G111	Q109-G111 VanDerWaalsContact C-N 3.31Å
110	D	87.9	Confident	95.4	Very high	57 Å²	57	54.5 Å²	54.5	31%	0.305	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	8.7	178.8	62.9	-8	0	0	0	113.4	M108 A112 R180	M108-D110 WeakPolarHBondContact CB-OD1 3.34Å; M108-D110 PolarHBondContact O-N 3.36Å; D110-A112 VanDerWaalsContact C-N 3.28Å; D110-A112 PolarHBondContact O-N 2.77Å; D110-A112 WeakPolarHBondContact OD1-CB 3.44Å; D110-A112 PolarHBondContact OD1-N 2.86Å; D110-R180 IonicContact OD1-NH2 3.6Å; D110-R180 IonicContact OD2-CZ 3.63Å; D110-R180 IonicContact OD2-NE 3.62Å; D110-R180 PolarHBondContact OD2-NE 2.92Å; D110-R180 IonicContact OD2-NH2 2.76Å; D110-R180 PolarHBondContact OD2-NH2 3.29Å
111	G	88.8	Confident	95.6	Very high	44 Å²	44	50.9 Å²	50.9	45%	0.454	28%	0.28	S	S	.	.	S	Bend	trans	82.8	-3	-176.5	0	0	0	0	0	114.5	M108 Q109 T177	M108-G111 PolarHBondContact O-N 3.2Å; M108-G111 VanDerWaalsContact O-N 3.13Å; Q109-G111 VanDerWaalsContact C-N 3.31Å; G111-T177 VanDerWaalsContact O-O 3.13Å; G111-T177 PolarHBondContact O-OG1 3.05Å
112	A	91.7	Very high	95.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.292	C	S	.	.			trans	-66.1	148.4	172.9	0	0	0	0	0	111.3	M108 D110 L168 T177 S178	M108-A112 HydrophobicContact CB-CB 4.04Å; M108-A112 WeakPolarHBondContact CB-O 3.3Å; M108-A112 HydrophobicContact CG-CB 4.24Å; M108-A112 PolarHBondContact N-O 3.37Å; M108-A112 HydrophobicContact SD-CB 3.83Å; D110-A112 VanDerWaalsContact C-N 3.28Å; D110-A112 PolarHBondContact O-N 2.77Å; D110-A112 WeakPolarHBondContact OD1-CB 3.44Å; D110-A112 PolarHBondContact OD1-N 2.86Å; A112-L168 HydrophobicContact CB-CD1 4.2Å; A112-L168 HydrophobicContact CB-CD2 3.98Å; A112-T177 WeakPolarHBondContact CA-OG1 3.31Å; A112-S178 VanDerWaalsContact CB-CB 3.47Å
113	T	94.6	Very high	95.4	Very high	38 Å²	38	51.3 Å²	51.3	23%	0.233	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	95.1	167.5	-56.3	0	0	0	0	107.9	F105 T115 T177	F105-T113 HydrophobicContact CB-CG2 3.98Å; F105-T113 HydrophobicContact CD1-CG2 4.01Å; T113-T115 HydrophobicContact CG2-CG2 4.43Å; T113-T177 PolarHBondContact N-OG1 3.49Å; T113-T177 PolarHBondContact OG1-OG1 2.79Å
114	A	95.9	Very high	95.1	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.008	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	142.9	171.3	0	0	0	0	0	109.5	L106 M108 E189	L106-A114 HydrophobicContact CB-CB 4.2Å; L106-A114 PolarHBondContact N-O 2.82Å; L106-A114 PolarHBondContact O-N 3.12Å; M108-A114 HydrophobicContact CG-CB 4.15Å; M108-A114 HydrophobicContact SD-CB 3.66Å; A114-E189 HydrophobicContact CB-CB 4.09Å; A114-E189 HydrophobicContact CB-CG 3.92Å
115	T	97.3	Very high	95	Very high	8 Å²	8	56.4 Å²	56.4	5%	0.049	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151.3	175.9	59.2	0	0	0	0	111.5	K104 F105 T113 N166 L171 M174	K104-T115 VanDerWaalsContact O-CA 3.26Å; K104-T115 WeakPolarHBondContact O-CA 3.47Å; K104-T115 WeakPolarHBondContact O-CB 3.43Å; F105-T115 HydrophobicContact CD1-CG2 3.49Å; F105-T115 VanDerWaalsContact CD1-CG2 3.49Å; F105-T115 HydrophobicContact CE1-CG2 3.86Å; F105-T115 HydrophobicContact CG-CG2 4.21Å; T113-T115 HydrophobicContact CG2-CG2 4.43Å; T115-N166 WeakPolarHBondContact O-CB 3.24Å; T115-N166 PolarHBondContact O-N 3.46Å; T115-N166 WeakPolarHBondContact OG1-CB 3.22Å; T115-L171 WeakPolarHBondContact OG1-CD1 3.36Å; T115-M174 HydrophobicContact CG2-CE 3.57Å; T115-M174 HydrophobicContact CG2-SD 3.83Å
116	F	98.4	Very high	94.7	Very high	1 Å²	1	54 Å²	54	0%	0.004	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	154.8	171.7	72	-87.9	0	0	0	108.6	K104 L106 L118 A163 V164 M193 Y196 I197	K104-F116 HydrophobicContact CB-CD1 3.84Å; K104-F116 HydrophobicContact CB-CD2 4.34Å; K104-F116 HydrophobicContact CB-CE1 3.35Å; K104-F116 HydrophobicContact CB-CE2 3.92Å; K104-F116 HydrophobicContact CB-CG 4.3Å; K104-F116 HydrophobicContact CB-CZ 3.4Å; K104-F116 HydrophobicContact CG-CD2 4.44Å; K104-F116 HydrophobicContact CG-CE1 4.01Å; K104-F116 HydrophobicContact CG-CE2 3.73Å; K104-F116 HydrophobicContact CG-CZ 3.48Å; K104-F116 VanDerWaalsContact CG-CZ 3.48Å; K104-F116 PolarHBondContact N-O 2.93Å; K104-F116 PolarHBondContact O-N 3.11Å; L106-F116 HydrophobicContact CD1-CD1 3.91Å; L106-F116 HydrophobicContact CD1-CE1 3.69Å; L106-F116 HydrophobicContact CD2-CE1 4.16Å; L106-F116 HydrophobicContact CG-CD1 4.24Å; L106-F116 HydrophobicContact CG-CE1 3.91Å; F116-L118 HydrophobicContact CE2-CB 4.19Å; F116-A163 HydrophobicContact CD2-CB 4.2Å; F116-A163 HydrophobicContact CE2-CB 4.36Å; F116-V164 CarbonylContact C-O 3.6Å; F116-V164 WeakPolarHBondContact CA-O 3.29Å; F116-V164 WeakPolarHBondContact CB-O 3.31Å; F116-M193 HydrophobicContact CB-CG 3.89Å; F116-M193 HydrophobicContact CB-SD 3.47Å; F116-M193 WeakPolarHBondContact CB-SD 3.27Å; F116-M193 HydrophobicContact CD1-CB 4.12Å; F116-M193 HydrophobicContact CD1-CG 3.78Å; F116-M193 HydrophobicContact CD2-CG 3.82Å; F116-M193 HydrophobicContact CD2-SD 4.01Å; F116-M193 HydrophobicContact CE1-CG 4.23Å; F116-M193 HydrophobicContact CE2-CG 4.26Å; F116-M193 HydrophobicContact CG-CB 4.31Å; F116-M193 HydrophobicContact CG-CG 3.55Å; F116-M193 HydrophobicContact CG-SD 3.77Å; F116-M193 HydrophobicContact CZ-CG 4.44Å; F116-Y196 HydrophobicContact CE1-CD1 4.17Å; F116-Y196 HydrophobicContact CE1-CG 4.15Å; F116-Y196 HydrophobicContact CE2-CD1 4.41Å; F116-Y196 AromaticContact CZ-CD1 3.45Å; F116-Y196 HydrophobicContact CZ-CD1 3.45Å; F116-Y196 VanDerWaalsContact CZ-CD1 3.45Å; F116-Y196 AromaticContact CZ-CE1 3.81Å; F116-Y196 HydrophobicContact CZ-CE1 3.81Å; F116-Y196 AromaticContact CZ-CG 3.89Å; F116-Y196 HydrophobicContact CZ-CG 3.89Å; F116-I197 HydrophobicContact CE2-CD1 3.99Å; F116-I197 HydrophobicContact CZ-CD1 4.38Å
117	D	98.6	Very high	94.6	Very high	12 Å²	12	53.5 Å²	53.5	6%	0.064	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132	177.2	-65	-12.3	0	0	0	109.6	R103 F119 S143 A163 V164 N166	R103-D117 VanDerWaalsContact CA-OD1 3.23Å; R103-D117 WeakPolarHBondContact CA-OD1 3.46Å; R103-D117 WeakPolarHBondContact CB-OD1 3.45Å; R103-D117 WeakPolarHBondContact CG-OD1 3.42Å; R103-D117 IonicContact CZ-OD1 2.71Å; R103-D117 IonicContact CZ-OD2 3.47Å; R103-D117 IonicContact NE-OD1 2.86Å; R103-D117 PolarHBondContact NE-OD1 2.94Å; R103-D117 IonicContact NE-OD2 3.18Å; R103-D117 IonicContact NH2-OD1 3.48Å; R103-D117 IonicContact NH2-OD2 3.49Å; R103-D117 PolarHBondContact NH2-OD2 3.22Å; D117-F119 HydrophobicContact CB-CD2 4.48Å; D117-F119 HydrophobicContact CB-CE2 3.53Å; D117-F119 HydrophobicContact CB-CZ 3.68Å; D117-F119 WeakPolarHBondContact O-CD2 3.34Å; D117-F119 WeakPolarHBondContact O-CE2 3.37Å; D117-S143 VanDerWaalsContact OD2-CB 3.26Å; D117-S143 WeakPolarHBondContact OD2-CB 3.32Å; D117-S143 PolarHBondContact OD2-OG 3.14Å; D117-A163 WeakPolarHBondContact O-CA 3.45Å; D117-V164 PolarHBondContact N-O 3.29Å; D117-V164 PolarHBondContact O-N 2.86Å; D117-N166 PolarHBondContact OD1-ND2 3.33Å
118	L	98.7	Very high	94.4	Very high	13 Å²	13	51 Å²	51	7%	0.068	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.8	-178.8	-174.4	64.4	0	0	0	110.4	G101 L102 F116 R161 A163 I197 F201	G101-L118 CarbonylContact C-O 3.56Å; G101-L118 WeakPolarHBondContact CA-O 3.42Å; L102-L118 PolarHBondContact N-O 3.25Å; L102-L118 PolarHBondContact O-N 3.31Å; F116-L118 HydrophobicContact CE2-CB 4.19Å; L118-R161 HydrophobicContact CD1-CG 4.01Å; L118-A163 HydrophobicContact CD1-CB 4.03Å; L118-I197 HydrophobicContact CD1-CD1 3.7Å; L118-F201 HydrophobicContact CD1-CE2 4.45Å; L118-F201 HydrophobicContact CD2-CE2 3.88Å; L118-F201 HydrophobicContact CD2-CZ 3.96Å
119	F	98.6	Very high	94.3	Very high	11 Å²	11	52.7 Å²	52.7	5%	0.048	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.1	-177.3	-55.2	-94.2	0	0	0	109.2	P99 G101 D117 V152 Q156 R161 C162 V164	P99-F119 HydrophobicContact CB-CD1 3.59Å; P99-F119 HydrophobicContact CB-CE1 3.6Å; G101-F119 VanDerWaalsContact CA-CE1 3.42Å; D117-F119 HydrophobicContact CB-CD2 4.48Å; D117-F119 HydrophobicContact CB-CE2 3.53Å; D117-F119 HydrophobicContact CB-CZ 3.68Å; D117-F119 WeakPolarHBondContact O-CD2 3.34Å; D117-F119 WeakPolarHBondContact O-CE2 3.37Å; F119-V152 HydrophobicContact CB-CG1 3.88Å; F119-V152 HydrophobicContact CD1-CG1 3.86Å; F119-V152 HydrophobicContact CD2-CG1 3.81Å; F119-V152 HydrophobicContact CE1-CG1 4.35Å; F119-V152 HydrophobicContact CE2-CG1 4.29Å; F119-V152 HydrophobicContact CG-CG1 3.58Å; F119-Q156 HydrophobicContact CB-CG 4.23Å; F119-R161 WeakPolarHBondContact O-CA 3.22Å; F119-R161 VanDerWaalsContact O-CG 3.27Å; F119-R161 WeakPolarHBondContact O-CG 3.44Å; F119-C162 HydrophobicContact CB-CB 4.22Å; F119-C162 HydrophobicContact CD2-CB 4.39Å; F119-C162 PolarHBondContact N-O 2.83Å; F119-C162 PolarHBondContact O-N 3.35Å; F119-V164 HydrophobicContact CD2-CG2 4.25Å; F119-V164 HydrophobicContact CE2-CB 4.46Å; F119-V164 HydrophobicContact CE2-CG2 3.88Å
120	E	97.9	Very high	94.6	Very high	95 Å²	95	45.4 Å²	45.4	44%	0.444	27%	0.274	S	S	.	.			trans	-75.7	152.5	-179.4	-67.1	-60.1	158	0	0	112.2	L122 Q156 R161	E120-L122 PolarHBondContact O-N 3.45Å; E120-Q156 WeakPolarHBondContact O-CG 3.46Å; E120-Q156 PolarHBondContact O-NE2 3.26Å; E120-R161 IonicContact OE1-NE 3.49Å; E120-R161 IonicContact OE2-CZ 3.57Å; E120-R161 IonicContact OE2-NE 3.5Å; E120-R161 PolarHBondContact OE2-NE 3.39Å; E120-R161 IonicContact OE2-NH2 3.98Å
121	A	97.3	Very high	95.1	Very high	41 Å²	41	42.8 Å²	42.8	34%	0.339	26%	0.26	S	S	.	.			trans	-60.2	136.6	172.6	0	0	0	0	0	111	G159	A121-G159 WeakPolarHBondContact CB-O 3.39Å
122	L	96.2	Very high	95.6	Very high	114 Å²	114	40.7 Å²	40.7	60%	0.597	24%	0.239	S	C	*	.	S	Bend	trans	-97.1	-23.4	175.9	-65.9	175.7	0	0	0	112.3	E120 Q156	E120-L122 PolarHBondContact O-N 3.45Å; L122-Q156 HydrophobicContact CB-CB 4.29Å; L122-Q156 HydrophobicContact CD1-CB 3.97Å; L122-Q156 HydrophobicContact CG-CB 3.91Å; L122-Q156 PolarHBondContact N-O 2.93Å
123	G	91.2	Very high	95.9	Very high	31 Å²	31	40.7 Å²	40.7	32%	0.32	24%	0.239	S	C	.	.	S	Bend	trans	-113.4	174.8	175.2	0	0	0	0	0	112.8	Q156 G159	G123-Q156 PolarHBondContact N-O 3Å; G123-Q156 VanDerWaalsContact N-O 3.16Å; G123-G159 VanDerWaalsContact O-CA 3.28Å; G123-G159 WeakPolarHBondContact O-CA 3.44Å
124	K	92.3	Very high	96.1	Very high	205 Å²	205	38.9 Å²	38.9	89%	0.891	23%	0.228	S	C	*	.			trans	-83.8	133.6	165	-68.7	-175.9	179.8	-179.2	0	108.7
125	H	95.1	Very high	96.2	Very high	11 Å²	11	38.8 Å²	38.8	5%	0.051	23%	0.227	C	C	.	.			trans	-61	144.8	173.5	-168.8	-97	0	0	0	110.6	T127 G128 D129 Y160 D402	H125-T127 PolarHBondContact CE1-OG1 3.45Å; H125-T127 PolarHBondContact ND1-N 3.46Å; H125-T127 PolarHBondContact ND1-OG1 3Å; H125-T127 PolarHBondContact O-N 2.95Å; H125-G128 WeakPolarHBondContact O-CA 3.47Å; H125-G128 PolarHBondContact O-N 2.91Å; H125-D129 WeakPolarHBondContact CB-O 3.26Å; H125-Y160 AromaticContact CD2-CD1 3.94Å; H125-Y160 AromaticContact CD2-CE1 3.61Å; H125-Y160 AromaticContact CD2-CE2 3.83Å; H125-Y160 AromaticContact CD2-CZ 3.55Å; H125-Y160 AromaticContact NE2-CD1 4Å; H125-Y160 AromaticContact NE2-CE1 3.2Å; H125-Y160 WeakPolarHBondContact NE2-CE1 3.45Å; H125-Y160 AromaticContact NE2-CE2 3.76Å; H125-Y160 AromaticContact NE2-CZ 3.05Å; H125-Y160 PolarHBondContact NE2-OH 3.1Å; H125-D402 IonicContact NE2-OD1 2.82Å
126	S	92.6	Very high	96.3	Very high	65 Å²	65	38.4 Å²	38.4	46%	0.455	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.6	-177	57.3	0	0	0	0	113.5	H406	S126-H406 PolarHBondContact OG-NE2 3.12Å
127	T	92.6	Very high	96.3	Very high	11 Å²	11	38.4 Å²	38.4	7%	0.067	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-16.9	173.7	67.6	0	0	0	0	113.5	H125 D129 C405 K409	H125-T127 PolarHBondContact CE1-OG1 3.45Å; H125-T127 PolarHBondContact ND1-N 3.46Å; H125-T127 PolarHBondContact ND1-OG1 3Å; H125-T127 PolarHBondContact O-N 2.95Å; T127-D129 VanDerWaalsContact C-N 3.28Å; T127-D129 WeakPolarHBondContact CB-OD2 3.46Å; T127-D129 WeakPolarHBondContact OG1-CB 3.48Å; T127-D129 PolarHBondContact OG1-N 3.43Å; T127-D129 PolarHBondContact OG1-OD2 3.36Å; T127-C405 HydrophobicContact CG2-CB 3.76Å; T127-K409 HydrophobicContact CG2-CD 4.48Å; T127-K409 PolarHBondContact O-NZ 2.96Å
128	G	92.2	Very high	96.1	Very high	65 Å²	65	38 Å²	38	67%	0.67	22%	0.224	S	C	*	.	S	Bend	trans	78.7	4.7	-170.3	0	0	0	0	0	114.9	H125	H125-G128 WeakPolarHBondContact O-CA 3.47Å; H125-G128 PolarHBondContact O-N 2.91Å
129	D	92.7	Very high	95.8	Very high	70 Å²	70	40 Å²	40	37%	0.374	23%	0.234	S	C	.	.	S	Bend	trans	-84.3	161.1	177.7	-52	-40.4	0	0	0	111.4	H125 T127 V131 K409	H125-D129 WeakPolarHBondContact CB-O 3.26Å; T127-D129 VanDerWaalsContact C-N 3.28Å; T127-D129 WeakPolarHBondContact CB-OD2 3.46Å; T127-D129 WeakPolarHBondContact OG1-CB 3.48Å; T127-D129 PolarHBondContact OG1-N 3.43Å; T127-D129 PolarHBondContact OG1-OD2 3.36Å; D129-V131 HydrophobicContact CB-CG2 4.26Å; D129-K409 IonicContact OD1-NZ 2.65Å
130	D	95.9	Very high	95.3	Very high	60 Å²	60	40 Å²	40	32%	0.321	24%	0.237	S	C	.	.			trans	-85.8	111.8	169.4	-176.7	-23.5	0	0	0	109	R161 T204 Q205	D130-R161 IonicContact OD1-CZ 3.13Å; D130-R161 IonicContact OD1-NH1 3.81Å; D130-R161 PolarHBondContact OD1-NH1 3.08Å; D130-R161 IonicContact OD1-NH2 3.85Å; D130-R161 PolarHBondContact OD1-NH2 3.27Å; D130-R161 IonicContact OD2-CZ 2.94Å; D130-R161 IonicContact OD2-NH1 2.68Å; D130-R161 PolarHBondContact OD2-NH1 2.64Å; D130-R161 IonicContact OD2-NH2 3.73Å; D130-R161 PolarHBondContact OD2-NH2 2.87Å; D130-T204 WeakPolarHBondContact O-CA 3.35Å; D130-T204 PolarHBondContact O-OG1 2.98Å; D130-T204 WeakPolarHBondContact OD1-CB 3.3Å; D130-T204 PolarHBondContact OD1-OG1 3.4Å; D130-Q205 PolarHBondContact O-N 2.84Å
131	V	98.2	Very high	95.2	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.3	-179.8	-168.9	0	0	0	0	110.4	D129 Y160 R161 Q205 V207 L233	D129-V131 HydrophobicContact CB-CG2 4.26Å; V131-Y160 HydrophobicContact CB-CD1 3.88Å; V131-Y160 HydrophobicContact CB-CE1 4.05Å; V131-Y160 HydrophobicContact CG1-CD1 3.78Å; V131-Y160 HydrophobicContact CG1-CE1 3.77Å; V131-R161 PolarHBondContact O-N 2.93Å; V131-Q205 CarbonylContact C-O 3.58Å; V131-Q205 WeakPolarHBondContact CA-O 3.48Å; V131-V207 HydrophobicContact CG1-CG2 3.65Å; V131-L233 HydrophobicContact CG1-CD1 4.21Å
132	T	98.8	Very high	95.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.7	176	-55.1	0	0	0	0	111.4	V134 R161 A163 I197 T204 Q205 L206 V207	T132-V134 HydrophobicContact CG2-CG1 4.42Å; T132-R161 CarbonylContact C-O 3.51Å; T132-R161 VanDerWaalsContact CA-O 3.27Å; T132-R161 WeakPolarHBondContact CA-O 3.31Å; T132-R161 HydrophobicContact CG2-CB 4.14Å; T132-R161 HydrophobicContact CG2-CG 4.17Å; T132-R161 PolarHBondContact OG1-NH1 2.82Å; T132-A163 HydrophobicContact CG2-CB 4.4Å; T132-I197 HydrophobicContact CG2-CG2 3.79Å; T132-T204 PolarHBondContact N-OG1 3.36Å; T132-T204 PolarHBondContact OG1-OG1 3.5Å; T132-Q205 PolarHBondContact N-O 2.84Å; T132-L206 WeakPolarHBondContact O-CA 3.32Å; T132-V207 PolarHBondContact O-N 2.99Å
133	M	98.8	Very high	95.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	115.4	166.8	-70.1	-177.9	173.1	0	0	110.1	I135 F151 S155 Y160 R161 C162 A163 V207 V398 T401	M133-I135 HydrophobicContact CB-CD1 4.23Å; M133-I135 HydrophobicContact CB-CG1 4.16Å; M133-F151 HydrophobicContact SD-CE1 4.22Å; M133-F151 HydrophobicContact SD-CZ 3.87Å; M133-S155 PolarHBondContact SD-OG 2.83Å; M133-S155 VanDerWaalsContact SD-OG 3.37Å; M133-Y160 HydrophobicContact CE-CD1 3.65Å; M133-Y160 HydrophobicContact CE-CD2 3.75Å; M133-Y160 HydrophobicContact CE-CE1 3.68Å; M133-Y160 HydrophobicContact CE-CE2 3.84Å; M133-Y160 HydrophobicContact CE-CG 3.65Å; M133-Y160 HydrophobicContact CG-CD1 3.98Å; M133-Y160 HydrophobicContact CG-CG 4.2Å; M133-Y160 HydrophobicContact SD-CD1 4.32Å; M133-Y160 HydrophobicContact SD-CG 4.09Å; M133-R161 PolarHBondContact N-O 3.33Å; M133-C162 CarbonylContact O-C 3.51Å; M133-C162 WeakPolarHBondContact O-CA 3.39Å; M133-A163 PolarHBondContact O-N 3.42Å; M133-V207 CarbonylContact C-O 3.55Å; M133-V207 VanDerWaalsContact CA-O 3.31Å; M133-V207 WeakPolarHBondContact CA-O 3.41Å; M133-V207 HydrophobicContact CG-CB 4.04Å; M133-V207 HydrophobicContact CG-CG1 4.23Å; M133-V398 HydrophobicContact CE-CG2 4.28Å; M133-T401 HydrophobicContact CE-CG2 3.99Å
134	V	98.9	Very high	95.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	112	171.6	-68.5	0	0	0	0	109	T132 A163 F190 M193 V194 I197 L206 V207 V208 V209	T132-V134 HydrophobicContact CG2-CG1 4.42Å; V134-A163 WeakPolarHBondContact CA-O 3.16Å; V134-A163 HydrophobicContact CG1-CB 4.34Å; V134-F190 HydrophobicContact CB-CE2 4.48Å; V134-F190 HydrophobicContact CB-CZ 4.29Å; V134-F190 HydrophobicContact CG2-CZ 4.08Å; V134-M193 HydrophobicContact CB-CE 3.99Å; V134-M193 HydrophobicContact CG1-CE 4.45Å; V134-V194 HydrophobicContact CB-CG2 4.15Å; V134-V194 HydrophobicContact CG1-CG2 4.23Å; V134-V194 HydrophobicContact CG2-CG2 4.03Å; V134-I197 HydrophobicContact CG1-CG1 4.31Å; V134-L206 HydrophobicContact CG1-CD2 4.21Å; V134-V207 WeakPolarHBondContact CG2-O 3.42Å; V134-V207 PolarHBondContact N-O 3.45Å; V134-V208 HydrophobicContact CG2-CB 4.27Å; V134-V208 HydrophobicContact CG2-CG2 3.71Å; V134-V209 PolarHBondContact O-N 2.83Å
135	I	98.9	Very high	95.3	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125	-163.9	-59.4	161.7	0	0	0	109.7	M133 I148 F151 V152 C162 A163 V164 L165 V209 F211	M133-I135 HydrophobicContact CB-CD1 4.23Å; M133-I135 HydrophobicContact CB-CG1 4.16Å; I135-I148 HydrophobicContact CG2-CD1 4.07Å; I135-F151 HydrophobicContact CD1-CD1 3.88Å; I135-F151 HydrophobicContact CD1-CE1 3.69Å; I135-F151 HydrophobicContact CG1-CE1 4.08Å; I135-V152 HydrophobicContact CD1-CG2 4.08Å; I135-C162 HydrophobicContact CD1-CB 4.04Å; I135-A163 PolarHBondContact N-O 3.41Å; I135-V164 HydrophobicContact CB-CB 4.47Å; I135-V164 HydrophobicContact CB-CG1 4.3Å; I135-V164 HydrophobicContact CB-CG2 4.19Å; I135-V164 HydrophobicContact CD1-CG2 3.97Å; I135-V164 HydrophobicContact CG2-CG1 4.19Å; I135-L165 PolarHBondContact O-N 3.36Å; I135-V209 CarbonylContact C-O 3.48Å; I135-V209 WeakPolarHBondContact CA-O 3.41Å; I135-V209 HydrophobicContact CG1-CB 4.23Å; I135-F211 HydrophobicContact CG2-CD2 4.14Å; I135-F211 HydrophobicContact CG2-CE2 3.8Å
136	C	98.7	Very high	95.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	110.3	172.9	-162.9	0	0	0	0	110.2	F190 V209 F211 G214	C136-F190 HydrophobicContact CB-CD2 3.85Å; C136-F190 HydrophobicContact CB-CE2 3.69Å; C136-F190 HydrophobicContact CB-CZ 4.33Å; C136-V209 PolarHBondContact N-O 2.95Å; C136-F211 PolarHBondContact O-N 3.3Å; C136-G214 WeakPolarHBondContact SG-CA 3.28Å
137	P	97.6	Very high	95.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.149	C	C	.	.			trans	-67.7	169.2	177.8	-23.4	36.3	0	0	0	113.9	N141 Y147 I148 V164 L165 H167 G214	P137-N141 HydrophobicContact CB-CB 3.7Å; P137-Y147 WeakPolarHBondContact CA-OH 3.41Å; P137-Y147 WeakPolarHBondContact CB-OH 3.24Å; P137-I148 HydrophobicContact CB-CD1 4.13Å; P137-I148 HydrophobicContact CB-CG1 4.36Å; P137-I148 HydrophobicContact CG-CD1 4.05Å; P137-I148 HydrophobicContact CG-CG1 4.3Å; P137-V164 HydrophobicContact CG-CG1 3.64Å; P137-L165 VanDerWaalsContact CD-O 3.23Å; P137-L165 WeakPolarHBondContact CD-O 3.22Å; P137-L165 WeakPolarHBondContact CG-O 3.4Å; P137-H167 PolarHBondContact O-NE2 2.84Å; P137-G214 VanDerWaalsContact O-CA 3.26Å; P137-G214 WeakPolarHBondContact O-CA 3.39Å; P137-G214 PolarHBondContact O-N 3.04Å
138	G	94.9	Very high	95.3	Very high	4 Å²	4	25 Å²	25	4%	0.041	15%	0.146	C	C	.	.	S	Bend	trans	-69.7	-177.7	173	0	0	0	0	0	113.5	G140 N141 Y147 H167 F211	G138-G140 PolarHBondContact O-N 3.3Å; G138-N141 WeakPolarHBondContact O-CB 3.45Å; G138-N141 PolarHBondContact O-N 3.22Å; G138-Y147 PolarHBondContact N-OH 2.82Å; G138-H167 PolarHBondContact O-CD2 3.32Å; G138-H167 PolarHBondContact O-NE2 3.24Å; G138-F211 WeakPolarHBondContact CA-O 3.37Å; G138-F211 PolarHBondContact N-O 2.82Å
139	I	92.9	Very high	95.5	Very high	54 Å²	54	24.5 Å²	24.5	28%	0.277	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	122.9	-173.7	-171	165.6	0	0	0	112.8	N141 F182 L213 L265 L300	I139-N141 PolarHBondContact O-N 3.38Å; I139-N141 VanDerWaalsContact O-N 3.09Å; I139-F182 HydrophobicContact CG1-CE2 3.97Å; I139-F182 HydrophobicContact CG1-CZ 4.21Å; I139-L213 HydrophobicContact CB-CB 4.17Å; I139-L213 HydrophobicContact CB-CD1 3.67Å; I139-L213 HydrophobicContact CD1-CD1 4.04Å; I139-L213 HydrophobicContact CG1-CD1 3.72Å; I139-L265 HydrophobicContact CG2-CD2 4.43Å; I139-L300 HydrophobicContact CD1-CD2 4.44Å
140	G	88.7	Confident	95.6	Very high	12 Å²	12	21.4 Å²	21.4	12%	0.124	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	20.5	177.1	0	0	0	0	0	114.7	G138 A170	G138-G140 PolarHBondContact O-N 3.3Å; G140-A170 WeakPolarHBondContact O-CB 3.32Å
141	N	94.2	Very high	95.7	Very high	36 Å²	36	18.5 Å²	18.5	19%	0.193	9%	0.092	C	C	.	.			trans	-99.2	168.1	177.7	-70.5	-39.4	0	0	0	112.2	P137 G138 I139 K145 Y147 H167	P137-N141 HydrophobicContact CB-CB 3.7Å; G138-N141 WeakPolarHBondContact O-CB 3.45Å; G138-N141 PolarHBondContact O-N 3.22Å; I139-N141 PolarHBondContact O-N 3.38Å; I139-N141 VanDerWaalsContact O-N 3.09Å; N141-K145 HydrophobicContact CB-CG 3.87Å; N141-K145 WeakPolarHBondContact OD1-CE 3.32Å; N141-Y147 HydrophobicContact CB-CE1 4.47Å; N141-H167 WeakPolarHBondContact O-CB 3.49Å; N141-H167 PolarHBondContact O-CD2 3.43Å; N141-H167 VanDerWaalsContact O-CD2 3.25Å; N141-H167 PolarHBondContact O-N 3.33Å
142	H	95.8	Very high	95.7	Very high	5 Å²	5	18.5 Å²	18.5	2%	0.023	9%	0.092	C	C	.	.			trans	-151.4	175.4	-174.2	54.5	97.1	0	0	0	108.9	E144 K145 N166 A170 L171	H142-E144 IonicContact CE1-OE2 3.26Å; H142-E144 PolarHBondContact CE1-OE2 3.31Å; H142-E144 PolarHBondContact ND1-N 3.27Å; H142-E144 IonicContact ND1-OE2 3.18Å; H142-E144 PolarHBondContact O-N 2.91Å; H142-K145 VanDerWaalsContact NE2-CE 3.3Å; H142-K145 WeakPolarHBondContact NE2-CE 3.34Å; H142-K145 PolarHBondContact NE2-NZ 3.07Å; H142-K145 WeakPolarHBondContact O-CG 3.3Å; H142-K145 PolarHBondContact O-N 2.82Å; H142-N166 HydrophobicContact CB-CB 4.06Å; H142-N166 WeakPolarHBondContact CB-OD1 3.34Å; H142-A170 PolarHBondContact CD2-O 3.31Å; H142-L171 HydrophobicContact CB-CD2 3.91Å; H142-L171 HydrophobicContact CB-CG 4.23Å; H142-L171 WeakPolarHBondContact ND1-CD2 3.31Å
143	S	96.1	Very high	95.6	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.014	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-33	-178.6	60.6	0	0	0	0	115.3	D117 K145 I148 R149 N166	D117-S143 VanDerWaalsContact OD2-CB 3.26Å; D117-S143 WeakPolarHBondContact OD2-CB 3.32Å; D117-S143 PolarHBondContact OD2-OG 3.14Å; S143-K145 VanDerWaalsContact C-N 3.25Å; S143-K145 PolarHBondContact O-N 3.31Å; S143-I148 WeakPolarHBondContact O-CG2 3.4Å; S143-R149 WeakPolarHBondContact O-CG 3.44Å; S143-N166 WeakPolarHBondContact CB-OD1 3.37Å; S143-N166 PolarHBondContact N-OD1 2.66Å; S143-N166 PolarHBondContact OG-OD1 3.04Å; S143-N166 VanDerWaalsContact OG-OD1 3.08Å
144	E	94.2	Very high	95.5	Very high	78 Å²	78	22.1 Å²	22.1	36%	0.364	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-3	-173	-50.6	166.6	178.6	0	0	113	R103 H142 R149	R103-E144 IonicContact CZ-OE1 2.64Å; R103-E144 IonicContact NH1-OE1 2.7Å; R103-E144 IonicContact NH2-OE1 3.08Å; R103-E144 PolarHBondContact NH2-OE1 2.89Å; H142-E144 IonicContact CE1-OE2 3.26Å; H142-E144 PolarHBondContact CE1-OE2 3.31Å; H142-E144 PolarHBondContact ND1-N 3.27Å; H142-E144 IonicContact ND1-OE2 3.18Å; H142-E144 PolarHBondContact O-N 2.91Å; E144-R149 WeakPolarHBondContact O-CD 3.33Å
145	K	93.6	Very high	95.5	Very high	71 Å²	71	22.1 Å²	22.1	31%	0.309	11%	0.108	S	C	.	.	S	Bend	trans	-67.7	140.3	175.4	-63.6	-53.1	-167	-150.3	0	110.9	N141 H142 S143 Y147 I148 R149	N141-K145 HydrophobicContact CB-CG 3.87Å; N141-K145 WeakPolarHBondContact OD1-CE 3.32Å; H142-K145 VanDerWaalsContact NE2-CE 3.3Å; H142-K145 WeakPolarHBondContact NE2-CE 3.34Å; H142-K145 PolarHBondContact NE2-NZ 3.07Å; H142-K145 WeakPolarHBondContact O-CG 3.3Å; H142-K145 PolarHBondContact O-N 2.82Å; S143-K145 VanDerWaalsContact C-N 3.25Å; S143-K145 PolarHBondContact O-N 3.31Å; K145-Y147 VanDerWaalsContact C-N 3.3Å; K145-Y147 HydrophobicContact CB-CD1 3.91Å; K145-Y147 HydrophobicContact CB-CE1 3.86Å; K145-Y147 HydrophobicContact CG-CE1 4.48Å; K145-Y147 PolarHBondContact O-N 3.33Å; K145-I148 HydrophobicContact CB-CG1 4.44Å; K145-I148 PolarHBondContact O-N 2.63Å; K145-R149 PolarHBondContact O-N 3.47Å
146	N	92.9	Very high	95.5	Very high	60 Å²	60	22.4 Å²	22.4	32%	0.321	11%	0.109	S	C	.	.	H	α-helix	trans	-55.2	-40.6	-171.9	-71.9	-5.3	0	0	0	114.5	M91 T96 R149 T150	M91-N146 PolarHBondContact O-ND2 2.88Å; T96-N146 HydrophobicContact CG2-CB 3.83Å; T96-N146 WeakPolarHBondContact CG2-O 3.31Å; T96-N146 WeakPolarHBondContact OG1-CB 3.22Å; N146-R149 PolarHBondContact O-N 3.37Å; N146-T150 WeakPolarHBondContact O-CB 3.46Å; N146-T150 PolarHBondContact O-N 3.33Å; N146-T150 PolarHBondContact O-OG1 2.84Å
147	Y	92.6	Very high	95.4	Very high	6 Å²	6	29.3 Å²	29.3	2%	0.024	14%	0.136	C	C	.	.	H	α-helix	trans	-69	-38.4	179.4	82.8	-84.3	0	0	0	112.4	Y88 P137 G138 N141 K145 T150 F151 F211 M377	Y88-Y147 HydrophobicContact CE2-CD1 4.24Å; Y88-Y147 AromaticContact CE2-CG 3.9Å; Y88-Y147 HydrophobicContact CE2-CG 3.9Å; Y88-Y147 AromaticContact CZ-CD1 3.93Å; Y88-Y147 AromaticContact CZ-CG 3.97Å; Y88-Y147 WeakPolarHBondContact OH-CD1 3.3Å; Y88-Y147 VanDerWaalsContact OH-CE1 3.24Å; Y88-Y147 WeakPolarHBondContact OH-CE1 3.44Å; P137-Y147 WeakPolarHBondContact CA-OH 3.41Å; P137-Y147 WeakPolarHBondContact CB-OH 3.24Å; G138-Y147 PolarHBondContact N-OH 2.82Å; N141-Y147 HydrophobicContact CB-CE1 4.47Å; K145-Y147 VanDerWaalsContact C-N 3.3Å; K145-Y147 HydrophobicContact CB-CD1 3.91Å; K145-Y147 HydrophobicContact CB-CE1 3.86Å; K145-Y147 HydrophobicContact CG-CE1 4.48Å; K145-Y147 PolarHBondContact O-N 3.33Å; Y147-T150 PolarHBondContact O-N 3.46Å; Y147-F151 WeakPolarHBondContact O-CB 3.37Å; Y147-F151 PolarHBondContact O-N 2.85Å; Y147-F211 HydrophobicContact CE2-CB 4.17Å; Y147-F211 HydrophobicContact CE2-CD1 4.41Å; Y147-F211 AromaticContact CE2-CD2 3.91Å; Y147-F211 HydrophobicContact CE2-CD2 3.91Å; Y147-F211 HydrophobicContact CE2-CE2 4.36Å; Y147-F211 AromaticContact CE2-CG 3.92Å; Y147-F211 HydrophobicContact CE2-CG 3.92Å; Y147-M377 HydrophobicContact CD2-CE 3.89Å; Y147-M377 HydrophobicContact CE2-CE 3.74Å
148	I	95.6	Very high	95.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.1	-47.2	174.6	-64.3	-63.7	0	0	0	109.9	I135 P137 S143 K145 T150 F151 V152 V164 F211	I135-I148 HydrophobicContact CG2-CD1 4.07Å; P137-I148 HydrophobicContact CB-CD1 4.13Å; P137-I148 HydrophobicContact CB-CG1 4.36Å; P137-I148 HydrophobicContact CG-CD1 4.05Å; P137-I148 HydrophobicContact CG-CG1 4.3Å; S143-I148 WeakPolarHBondContact O-CG2 3.4Å; K145-I148 HydrophobicContact CB-CG1 4.44Å; K145-I148 PolarHBondContact O-N 2.63Å; I148-T150 VanDerWaalsContact C-N 3.29Å; I148-T150 PolarHBondContact O-N 2.99Å; I148-F151 PolarHBondContact O-N 3.29Å; I148-V152 HydrophobicContact CG2-CG2 3.92Å; I148-V152 WeakPolarHBondContact O-CB 3.49Å; I148-V152 VanDerWaalsContact O-CG2 3.25Å; I148-V152 WeakPolarHBondContact O-CG2 3.35Å; I148-V152 PolarHBondContact O-N 3.01Å; I148-V164 HydrophobicContact CG2-CB 4.33Å; I148-V164 HydrophobicContact CG2-CG1 3.67Å; I148-V164 HydrophobicContact CG2-CG2 3.85Å; I148-F211 HydrophobicContact CD1-CD2 3.99Å; I148-F211 HydrophobicContact CD1-CE2 4.04Å
149	R	95.9	Very high	95.5	Very high	55 Å²	55	33 Å²	33	21%	0.208	15%	0.153	C	C	.	.	H	α-helix	trans	-57.6	-42.1	177.9	-71.2	167.6	54	-172.5	-0.4	112.5	T96 P97 T98 P99 S143 E144 K145 N146 D153	T96-R149 HydrophobicContact CG2-CB 3.82Å; P97-R149 PolarHBondContact O-NE 3.3Å; P97-R149 PolarHBondContact O-NH2 2.94Å; T98-R149 PolarHBondContact OG1-NH2 3.13Å; P99-R149 HydrophobicContact CG-CB 4.42Å; P99-R149 WeakPolarHBondContact CG-O 3.44Å; S143-R149 WeakPolarHBondContact O-CG 3.44Å; E144-R149 WeakPolarHBondContact O-CD 3.33Å; K145-R149 PolarHBondContact O-N 3.47Å; N146-R149 PolarHBondContact O-N 3.37Å; R149-D153 WeakPolarHBondContact O-CB 3.29Å; R149-D153 PolarHBondContact O-N 3.2Å
150	T	95.4	Very high	95.8	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.025	14%	0.14	C	C	.	.	H	α-helix	trans	-64.5	-47.4	177	-57.3	0	0	0	0	111.2	R93 N146 Y147 I148 Y154 L390	R93-T150 HydrophobicContact CB-CG2 4.49Å; R93-T150 WeakPolarHBondContact CB-OG1 3.32Å; R93-T150 HydrophobicContact CG-CG2 4.4Å; N146-T150 WeakPolarHBondContact O-CB 3.46Å; N146-T150 PolarHBondContact O-N 3.33Å; N146-T150 PolarHBondContact O-OG1 2.84Å; Y147-T150 PolarHBondContact O-N 3.46Å; I148-T150 VanDerWaalsContact C-N 3.29Å; I148-T150 PolarHBondContact O-N 2.99Å; T150-Y154 WeakPolarHBondContact O-CB 3.25Å; T150-Y154 PolarHBondContact O-N 2.97Å; T150-Y154 VanDerWaalsContact O-N 3.13Å; T150-L390 HydrophobicContact CG2-CD2 4Å
151	F	97.2	Very high	96.3	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-44.1	177.9	179.5	-113.7	0	0	0	111.9	M133 I135 Y147 I148 Y154 S155 V209 F211 D394 I397 V398	M133-F151 HydrophobicContact SD-CE1 4.22Å; M133-F151 HydrophobicContact SD-CZ 3.87Å; I135-F151 HydrophobicContact CD1-CD1 3.88Å; I135-F151 HydrophobicContact CD1-CE1 3.69Å; I135-F151 HydrophobicContact CG1-CE1 4.08Å; Y147-F151 WeakPolarHBondContact O-CB 3.37Å; Y147-F151 PolarHBondContact O-N 2.85Å; I148-F151 PolarHBondContact O-N 3.29Å; F151-Y154 PolarHBondContact O-N 3.36Å; F151-S155 WeakPolarHBondContact O-CB 3.24Å; F151-S155 PolarHBondContact O-N 2.79Å; F151-S155 PolarHBondContact O-OG 2.79Å; F151-S155 VanDerWaalsContact O-OG 3.07Å; F151-V209 HydrophobicContact CE1-CG1 4.18Å; F151-V209 HydrophobicContact CE1-CG2 4.49Å; F151-V209 HydrophobicContact CZ-CG1 4.3Å; F151-V209 HydrophobicContact CZ-CG2 4.41Å; F151-F211 HydrophobicContact CD1-CE2 4.12Å; F151-F211 AromaticContact CD1-CZ 3.95Å; F151-F211 HydrophobicContact CD1-CZ 3.95Å; F151-F211 HydrophobicContact CE1-CE2 4.38Å; F151-F211 HydrophobicContact CE1-CZ 4.19Å; F151-F211 HydrophobicContact CG-CZ 4.17Å; F151-D394 HydrophobicContact CD2-CB 4.06Å; F151-I397 HydrophobicContact CD2-CD1 4.44Å; F151-I397 HydrophobicContact CE2-CB 3.89Å; F151-I397 HydrophobicContact CE2-CD1 3.91Å; F151-I397 HydrophobicContact CE2-CG2 3.76Å; F151-I397 HydrophobicContact CZ-CB 4.17Å; F151-I397 HydrophobicContact CZ-CD1 4.22Å; F151-I397 HydrophobicContact CZ-CG2 3.52Å; F151-V398 HydrophobicContact CE2-CG2 4.03Å
152	V	98	Very high	96.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-62.8	-48.1	178.2	168.3	0	0	0	0	111.5	P99 F119 I135 I148 Y154 S155 Q156 C162 V164	P99-V152 HydrophobicContact CB-CG1 3.93Å; P99-V152 HydrophobicContact CG-CB 4.29Å; P99-V152 HydrophobicContact CG-CG1 3.99Å; F119-V152 HydrophobicContact CB-CG1 3.88Å; F119-V152 HydrophobicContact CD1-CG1 3.86Å; F119-V152 HydrophobicContact CD2-CG1 3.81Å; F119-V152 HydrophobicContact CE1-CG1 4.35Å; F119-V152 HydrophobicContact CE2-CG1 4.29Å; F119-V152 HydrophobicContact CG-CG1 3.58Å; I135-V152 HydrophobicContact CD1-CG2 4.08Å; I148-V152 HydrophobicContact CG2-CG2 3.92Å; I148-V152 WeakPolarHBondContact O-CB 3.49Å; I148-V152 VanDerWaalsContact O-CG2 3.25Å; I148-V152 WeakPolarHBondContact O-CG2 3.35Å; I148-V152 PolarHBondContact O-N 3.01Å; V152-Y154 VanDerWaalsContact C-N 3.28Å; V152-Y154 PolarHBondContact O-N 2.74Å; V152-S155 PolarHBondContact O-N 3.38Å; V152-Q156 HydrophobicContact CG1-CG 4.19Å; V152-Q156 WeakPolarHBondContact O-CB 3.3Å; V152-Q156 VanDerWaalsContact O-CG 3.26Å; V152-Q156 WeakPolarHBondContact O-CG 3.44Å; V152-Q156 PolarHBondContact O-N 2.71Å; V152-C162 HydrophobicContact CG1-CB 4.12Å; V152-C162 HydrophobicContact CG2-CB 4.18Å; V152-V164 HydrophobicContact CG2-CG2 3.61Å
153	D	97.3	Very high	96.6	Very high	30 Å²	30	29 Å²	29	16%	0.16	13%	0.128	C	C	.	.	H	α-helix	trans	-57.4	-44.2	176.6	178	83.2	0	0	0	111.2	P97 P99 R149 R157	P97-D153 HydrophobicContact CB-CB 3.91Å; P97-D153 HydrophobicContact CG-CB 3.35Å; P99-D153 HydrophobicContact CG-CB 4.01Å; R149-D153 WeakPolarHBondContact O-CB 3.29Å; R149-D153 PolarHBondContact O-N 3.2Å; D153-R157 VanDerWaalsContact O-CG 3.28Å; D153-R157 WeakPolarHBondContact O-CG 3.26Å; D153-R157 PolarHBondContact O-N 3.44Å; D153-R157 VanDerWaalsContact O-N 3.15Å; D153-R157 IonicContact OD1-CZ 2.8Å; D153-R157 IonicContact OD1-NE 3.83Å; D153-R157 PolarHBondContact OD1-NE 2.91Å; D153-R157 IonicContact OD1-NH2 3.33Å; D153-R157 PolarHBondContact OD1-NH2 3.42Å; D153-R157 IonicContact OD2-CZ 3.26Å; D153-R157 IonicContact OD2-NE 3.75Å; D153-R157 PolarHBondContact OD2-NE 2.91Å; D153-R157 IonicContact OD2-NH2 3.64Å; D153-R157 PolarHBondContact OD2-NH2 3.05Å
154	Y	97.2	Very high	96.7	Very high	46 Å²	46	29 Å²	29	18%	0.18	13%	0.128	C	C	.	.	H	α-helix	trans	-62.4	-50.1	177.8	-176.9	-119.9	0	0	0	111.8	T150 F151 V152 Q156 R157 Q158 L390 D394 V398	T150-Y154 WeakPolarHBondContact O-CB 3.25Å; T150-Y154 PolarHBondContact O-N 2.97Å; T150-Y154 VanDerWaalsContact O-N 3.13Å; F151-Y154 PolarHBondContact O-N 3.36Å; V152-Y154 VanDerWaalsContact C-N 3.28Å; V152-Y154 PolarHBondContact O-N 2.74Å; Y154-Q156 PolarHBondContact O-N 2.71Å; Y154-R157 PolarHBondContact O-N 3.06Å; Y154-Q158 HydrophobicContact CE2-CG 4.38Å; Y154-Q158 WeakPolarHBondContact O-CG 3.44Å; Y154-Q158 PolarHBondContact O-N 3.48Å; Y154-L390 HydrophobicContact CD1-CD2 4.38Å; Y154-L390 HydrophobicContact CD2-CD1 3.53Å; Y154-L390 HydrophobicContact CD2-CD2 3.97Å; Y154-L390 HydrophobicContact CD2-CG 4.42Å; Y154-L390 HydrophobicContact CE2-CD1 3.65Å; Y154-L390 HydrophobicContact CG-CD1 4.17Å; Y154-L390 HydrophobicContact CG-CD2 3.78Å; Y154-D394 HydrophobicContact CD1-CB 4.36Å; Y154-V398 HydrophobicContact CD1-CB 4.39Å; Y154-V398 HydrophobicContact CD1-CG2 3.63Å; Y154-V398 HydrophobicContact CE1-CB 3.77Å; Y154-V398 HydrophobicContact CE1-CG1 4.31Å; Y154-V398 HydrophobicContact CE1-CG2 3.53Å
155	S	98.1	Very high	97	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.2	-40.7	179.2	-63.3	0	0	0	0	112.7	M133 F151 V152 R157 Q158 G159 Y160 C162	M133-S155 PolarHBondContact SD-OG 2.83Å; M133-S155 VanDerWaalsContact SD-OG 3.37Å; F151-S155 WeakPolarHBondContact O-CB 3.24Å; F151-S155 PolarHBondContact O-N 2.79Å; F151-S155 PolarHBondContact O-OG 2.79Å; F151-S155 VanDerWaalsContact O-OG 3.07Å; V152-S155 PolarHBondContact O-N 3.38Å; S155-R157 VanDerWaalsContact C-N 3.3Å; S155-R157 PolarHBondContact O-N 3.12Å; S155-Q158 CarbonylContact O-C 3.54Å; S155-Q158 PolarHBondContact O-N 3.44Å; S155-Q158 VanDerWaalsContact O-N 3.1Å; S155-G159 PolarHBondContact O-N 2.89Å; S155-Y160 WeakPolarHBondContact O-CB 3.39Å; S155-Y160 WeakPolarHBondContact O-CD2 3.36Å; S155-Y160 PolarHBondContact O-N 3.42Å; S155-C162 VanDerWaalsContact CB-SG 3.59Å
156	Q	98	Very high	97.2	Very high	6 Å²	6	22 Å²	22	3%	0.028	10%	0.096	C	C	.	.	H	α-helix	trans	-59.1	-41.3	175.2	-76.3	-178.5	-79.7	0	0	112	F119 E120 L122 G123 V152 Y154 Q158 G159 Y160	F119-Q156 HydrophobicContact CB-CG 4.23Å; E120-Q156 WeakPolarHBondContact O-CG 3.46Å; E120-Q156 PolarHBondContact O-NE2 3.26Å; L122-Q156 HydrophobicContact CB-CB 4.29Å; L122-Q156 HydrophobicContact CD1-CB 3.97Å; L122-Q156 HydrophobicContact CG-CB 3.91Å; L122-Q156 PolarHBondContact N-O 2.93Å; G123-Q156 PolarHBondContact N-O 3Å; G123-Q156 VanDerWaalsContact N-O 3.16Å; V152-Q156 HydrophobicContact CG1-CG 4.19Å; V152-Q156 WeakPolarHBondContact O-CB 3.3Å; V152-Q156 VanDerWaalsContact O-CG 3.26Å; V152-Q156 WeakPolarHBondContact O-CG 3.44Å; V152-Q156 PolarHBondContact O-N 2.71Å; Y154-Q156 PolarHBondContact O-N 2.71Å; Q156-Q158 VanDerWaalsContact C-N 3.28Å; Q156-Q158 PolarHBondContact O-N 3.04Å; Q156-G159 PolarHBondContact O-N 3.29Å; Q156-Y160 WeakPolarHBondContact CA-O 3.34Å
157	R	97.1	Very high	97.3	Very high	146 Å²	146	19.3 Å²	19.3	55%	0.551	8%	0.082	S	C	*	.	H	α-helix	trans	-66.6	-29.9	176.9	-70	171.6	-168.4	-77	-11	112.7	D153 Y154 S155 G159	D153-R157 VanDerWaalsContact O-CG 3.28Å; D153-R157 WeakPolarHBondContact O-CG 3.26Å; D153-R157 PolarHBondContact O-N 3.44Å; D153-R157 VanDerWaalsContact O-N 3.15Å; D153-R157 IonicContact OD1-CZ 2.8Å; D153-R157 IonicContact OD1-NE 3.83Å; D153-R157 PolarHBondContact OD1-NE 2.91Å; D153-R157 IonicContact OD1-NH2 3.33Å; D153-R157 PolarHBondContact OD1-NH2 3.42Å; D153-R157 IonicContact OD2-CZ 3.26Å; D153-R157 IonicContact OD2-NE 3.75Å; D153-R157 PolarHBondContact OD2-NE 2.91Å; D153-R157 IonicContact OD2-NH2 3.64Å; D153-R157 PolarHBondContact OD2-NH2 3.05Å; Y154-R157 PolarHBondContact O-N 3.06Å; S155-R157 VanDerWaalsContact C-N 3.3Å; S155-R157 PolarHBondContact O-N 3.12Å; R157-G159 PolarHBondContact O-N 2.9Å
158	Q	97.5	Very high	97.4	Very high	74 Å²	74	19.5 Å²	19.5	35%	0.346	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	3.4	173.1	-57.9	-55.2	-34.5	0	0	113.2	Y154 S155 Q156 Y160 V398	Y154-Q158 HydrophobicContact CE2-CG 4.38Å; Y154-Q158 WeakPolarHBondContact O-CG 3.44Å; Y154-Q158 PolarHBondContact O-N 3.48Å; S155-Q158 CarbonylContact O-C 3.54Å; S155-Q158 PolarHBondContact O-N 3.44Å; S155-Q158 VanDerWaalsContact O-N 3.1Å; Q156-Q158 VanDerWaalsContact C-N 3.28Å; Q156-Q158 PolarHBondContact O-N 3.04Å; Q158-Y160 HydrophobicContact CB-CD2 3.9Å; Q158-Y160 HydrophobicContact CB-CE2 3.94Å; Q158-V398 HydrophobicContact CB-CG1 4Å; Q158-V398 HydrophobicContact CG-CG1 3.86Å
159	G	97.8	Very high	97.2	Very high	6 Å²	6	20.1 Å²	20.1	6%	0.062	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	15.7	173.3	0	0	0	0	0	115.1	A121 G123 S155 Q156 R157	A121-G159 WeakPolarHBondContact CB-O 3.39Å; G123-G159 VanDerWaalsContact O-CA 3.28Å; G123-G159 WeakPolarHBondContact O-CA 3.44Å; S155-G159 PolarHBondContact O-N 2.89Å; Q156-G159 PolarHBondContact O-N 3.29Å; R157-G159 PolarHBondContact O-N 2.9Å
160	Y	98.4	Very high	97	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.081	C	C	.	.			trans	-89.9	135.3	174.2	-64	-86.3	0	0	0	111.6	H125 V131 M133 S155 Q156 Q158 V398 T401 D402	H125-Y160 AromaticContact CD2-CD1 3.94Å; H125-Y160 AromaticContact CD2-CE1 3.61Å; H125-Y160 AromaticContact CD2-CE2 3.83Å; H125-Y160 AromaticContact CD2-CZ 3.55Å; H125-Y160 AromaticContact NE2-CD1 4Å; H125-Y160 AromaticContact NE2-CE1 3.2Å; H125-Y160 WeakPolarHBondContact NE2-CE1 3.45Å; H125-Y160 AromaticContact NE2-CE2 3.76Å; H125-Y160 AromaticContact NE2-CZ 3.05Å; H125-Y160 PolarHBondContact NE2-OH 3.1Å; V131-Y160 HydrophobicContact CB-CD1 3.88Å; V131-Y160 HydrophobicContact CB-CE1 4.05Å; V131-Y160 HydrophobicContact CG1-CD1 3.78Å; V131-Y160 HydrophobicContact CG1-CE1 3.77Å; M133-Y160 HydrophobicContact CE-CD1 3.65Å; M133-Y160 HydrophobicContact CE-CD2 3.75Å; M133-Y160 HydrophobicContact CE-CE1 3.68Å; M133-Y160 HydrophobicContact CE-CE2 3.84Å; M133-Y160 HydrophobicContact CE-CG 3.65Å; M133-Y160 HydrophobicContact CG-CD1 3.98Å; M133-Y160 HydrophobicContact CG-CG 4.2Å; M133-Y160 HydrophobicContact SD-CD1 4.32Å; M133-Y160 HydrophobicContact SD-CG 4.09Å; S155-Y160 WeakPolarHBondContact O-CB 3.39Å; S155-Y160 WeakPolarHBondContact O-CD2 3.36Å; S155-Y160 PolarHBondContact O-N 3.42Å; Q156-Y160 WeakPolarHBondContact CA-O 3.34Å; Q158-Y160 HydrophobicContact CB-CD2 3.9Å; Q158-Y160 HydrophobicContact CB-CE2 3.94Å; Y160-V398 HydrophobicContact CD2-CG1 4.49Å; Y160-V398 HydrophobicContact CE2-CG1 3.79Å; Y160-T401 HydrophobicContact CE1-CG2 3.58Å; Y160-T401 VanDerWaalsContact OH-CG2 3.3Å; Y160-T401 WeakPolarHBondContact OH-CG2 3.44Å; Y160-D402 PolarHBondContact OH-N 3.01Å; Y160-D402 PolarHBondContact OH-OD1 3.06Å
161	R	98.6	Very high	96.9	Very high	25 Å²	25	17.8 Å²	17.8	9%	0.094	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	141.7	159.4	-172.4	-179.3	-57.1	106.6	-1.2	108.1	L118 F119 E120 D130 V131 T132 M133 T204	L118-R161 HydrophobicContact CD1-CG 4.01Å; F119-R161 WeakPolarHBondContact O-CA 3.22Å; F119-R161 VanDerWaalsContact O-CG 3.27Å; F119-R161 WeakPolarHBondContact O-CG 3.44Å; E120-R161 IonicContact OE1-NE 3.49Å; E120-R161 IonicContact OE2-CZ 3.57Å; E120-R161 IonicContact OE2-NE 3.5Å; E120-R161 PolarHBondContact OE2-NE 3.39Å; E120-R161 IonicContact OE2-NH2 3.98Å; D130-R161 IonicContact OD1-CZ 3.13Å; D130-R161 IonicContact OD1-NH1 3.81Å; D130-R161 PolarHBondContact OD1-NH1 3.08Å; D130-R161 IonicContact OD1-NH2 3.85Å; D130-R161 PolarHBondContact OD1-NH2 3.27Å; D130-R161 IonicContact OD2-CZ 2.94Å; D130-R161 IonicContact OD2-NH1 2.68Å; D130-R161 PolarHBondContact OD2-NH1 2.64Å; D130-R161 IonicContact OD2-NH2 3.73Å; D130-R161 PolarHBondContact OD2-NH2 2.87Å; V131-R161 PolarHBondContact O-N 2.93Å; T132-R161 CarbonylContact C-O 3.51Å; T132-R161 VanDerWaalsContact CA-O 3.27Å; T132-R161 WeakPolarHBondContact CA-O 3.31Å; T132-R161 HydrophobicContact CG2-CB 4.14Å; T132-R161 HydrophobicContact CG2-CG 4.17Å; T132-R161 PolarHBondContact OG1-NH1 2.82Å; M133-R161 PolarHBondContact N-O 3.33Å; R161-T204 PolarHBondContact NH1-OG1 3.05Å
162	C	98.8	Very high	96.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130.5	178.8	-63.2	0	0	0	0	110.6	F119 M133 I135 V152 S155	F119-C162 HydrophobicContact CB-CB 4.22Å; F119-C162 HydrophobicContact CD2-CB 4.39Å; F119-C162 PolarHBondContact N-O 2.83Å; F119-C162 PolarHBondContact O-N 3.35Å; M133-C162 CarbonylContact O-C 3.51Å; M133-C162 WeakPolarHBondContact O-CA 3.39Å; I135-C162 HydrophobicContact CD1-CB 4.04Å; V152-C162 HydrophobicContact CG1-CB 4.12Å; V152-C162 HydrophobicContact CG2-CB 4.18Å; S155-C162 VanDerWaalsContact CB-SG 3.59Å
163	A	98.8	Very high	95.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	114.9	169.9	0	0	0	0	0	108.3	F116 D117 L118 T132 M133 V134 I135 M193 I197	F116-A163 HydrophobicContact CD2-CB 4.2Å; F116-A163 HydrophobicContact CE2-CB 4.36Å; D117-A163 WeakPolarHBondContact O-CA 3.45Å; L118-A163 HydrophobicContact CD1-CB 4.03Å; T132-A163 HydrophobicContact CG2-CB 4.4Å; M133-A163 PolarHBondContact O-N 3.42Å; V134-A163 WeakPolarHBondContact CA-O 3.16Å; V134-A163 HydrophobicContact CG1-CB 4.34Å; I135-A163 PolarHBondContact N-O 3.41Å; A163-M193 HydrophobicContact CB-CG 4.5Å; A163-M193 HydrophobicContact CB-SD 4.2Å; A163-I197 HydrophobicContact CB-CD1 3.66Å; A163-I197 HydrophobicContact CB-CG1 3.84Å
164	V	98.8	Very high	95.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	120.9	-176.7	-168.9	0	0	0	0	110.3	F116 D117 F119 I135 P137 I148 V152	F116-V164 CarbonylContact C-O 3.6Å; F116-V164 WeakPolarHBondContact CA-O 3.29Å; F116-V164 WeakPolarHBondContact CB-O 3.31Å; D117-V164 PolarHBondContact N-O 3.29Å; D117-V164 PolarHBondContact O-N 2.86Å; F119-V164 HydrophobicContact CD2-CG2 4.25Å; F119-V164 HydrophobicContact CE2-CB 4.46Å; F119-V164 HydrophobicContact CE2-CG2 3.88Å; I135-V164 HydrophobicContact CB-CB 4.47Å; I135-V164 HydrophobicContact CB-CG1 4.3Å; I135-V164 HydrophobicContact CB-CG2 4.19Å; I135-V164 HydrophobicContact CD1-CG2 3.97Å; I135-V164 HydrophobicContact CG2-CG1 4.19Å; P137-V164 HydrophobicContact CG-CG1 3.64Å; I148-V164 HydrophobicContact CG2-CB 4.33Å; I148-V164 HydrophobicContact CG2-CG1 3.67Å; I148-V164 HydrophobicContact CG2-CG2 3.85Å; V152-V164 HydrophobicContact CG2-CG2 3.61Å
165	L	98.7	Very high	94.5	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	136	173.2	179	66.4	0	0	0	110.9	I135 P137 E189 F190 M193	I135-L165 PolarHBondContact O-N 3.36Å; P137-L165 VanDerWaalsContact CD-O 3.23Å; P137-L165 WeakPolarHBondContact CD-O 3.22Å; P137-L165 WeakPolarHBondContact CG-O 3.4Å; L165-E189 HydrophobicContact CD1-CB 3.72Å; L165-E189 HydrophobicContact CD2-CB 4.41Å; L165-F190 HydrophobicContact CB-CD2 4.4Å; L165-F190 HydrophobicContact CD2-CB 4.12Å; L165-F190 HydrophobicContact CD2-CD2 4.18Å; L165-M193 HydrophobicContact CB-CE 4.15Å; L165-M193 HydrophobicContact CB-SD 3.96Å; L165-M193 PolarHBondContact N-SD 2.93Å; L165-M193 VanDerWaalsContact N-SD 3.4Å
166	N	97.9	Very high	94	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	115.9	163.8	-58.8	-42.7	0	0	0	107.9	T115 D117 H142 S143 L168 L171	T115-N166 WeakPolarHBondContact O-CB 3.24Å; T115-N166 PolarHBondContact O-N 3.46Å; T115-N166 WeakPolarHBondContact OG1-CB 3.22Å; D117-N166 PolarHBondContact OD1-ND2 3.33Å; H142-N166 HydrophobicContact CB-CB 4.06Å; H142-N166 WeakPolarHBondContact CB-OD1 3.34Å; S143-N166 WeakPolarHBondContact CB-OD1 3.37Å; S143-N166 PolarHBondContact N-OD1 2.66Å; S143-N166 PolarHBondContact OG-OD1 3.04Å; S143-N166 VanDerWaalsContact OG-OD1 3.08Å; N166-L168 PolarHBondContact O-N 3.45Å; N166-L171 HydrophobicContact CB-CD1 3.78Å; N166-L171 HydrophobicContact CB-CG 4.03Å
167	H	96.6	Very high	93.5	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.019	20%	0.204	C	C	.	.			trans	-57.1	138.9	179.4	-80.5	-55	0	0	0	110.8	P137 G138 N141 G169 A170 F182	P137-H167 PolarHBondContact O-NE2 2.84Å; G138-H167 PolarHBondContact O-CD2 3.32Å; G138-H167 PolarHBondContact O-NE2 3.24Å; N141-H167 WeakPolarHBondContact O-CB 3.49Å; N141-H167 PolarHBondContact O-CD2 3.43Å; N141-H167 VanDerWaalsContact O-CD2 3.25Å; N141-H167 PolarHBondContact O-N 3.33Å; H167-G169 PolarHBondContact O-N 2.93Å; H167-G169 VanDerWaalsContact O-N 3.1Å; H167-A170 HydrophobicContact CB-CB 3.76Å; H167-A170 WeakPolarHBondContact O-CB 3.01Å; H167-A170 PolarHBondContact O-N 3.19Å; H167-F182 HydrophobicContact CB-CB 4.04Å; H167-F182 HydrophobicContact CB-CD1 3.69Å; H167-F182 HydrophobicContact CB-CD2 4.29Å; H167-F182 HydrophobicContact CB-CE1 4.25Å; H167-F182 HydrophobicContact CB-CG 3.73Å; H167-F182 AromaticContact CG-CG 3.98Å
168	L	93.8	Very high	92.9	Very high	10 Å²	10	32.9 Å²	32.9	5%	0.052	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	113	-173.8	-176.4	65.1	0	0	0	111.3	A112 N166 L176 S178 R180 F182 E189	A112-L168 HydrophobicContact CB-CD1 4.2Å; A112-L168 HydrophobicContact CB-CD2 3.98Å; N166-L168 PolarHBondContact O-N 3.45Å; L168-L176 HydrophobicContact CD1-CD1 3.93Å; L168-L176 HydrophobicContact CD2-CD1 4.43Å; L168-L176 HydrophobicContact CG-CD1 3.7Å; L168-S178 WeakPolarHBondContact CD2-OG 3.49Å; L168-R180 HydrophobicContact CD2-CG 4.32Å; L168-F182 HydrophobicContact CB-CB 4.38Å; L168-F182 WeakPolarHBondContact O-CD1 3.43Å; L168-F182 PolarHBondContact O-N 3.09Å; L168-E189 HydrophobicContact CB-CG 4.41Å
169	G	91.1	Very high	92.1	Very high	12 Å²	12	31.7 Å²	31.7	12%	0.124	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	88	4.2	-173.8	0	0	0	0	0	115.2	H167 L272 H276	H167-G169 PolarHBondContact O-N 2.93Å; H167-G169 VanDerWaalsContact O-N 3.1Å; G169-L272 VanDerWaalsContact O-CD1 3.25Å; G169-L272 WeakPolarHBondContact O-CD1 3.26Å; G169-H276 PolarHBondContact O-NE2 3.3Å
170	A	92.9	Very high	91.6	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.033	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-24.5	179.9	0	0	0	0	0	114.7	G140 H142 H167	G140-A170 WeakPolarHBondContact O-CB 3.32Å; H142-A170 PolarHBondContact CD2-O 3.31Å; H167-A170 HydrophobicContact CB-CB 3.76Å; H167-A170 WeakPolarHBondContact O-CB 3.01Å; H167-A170 PolarHBondContact O-N 3.19Å
171	L	92.5	Very high	91.3	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.037	17%	0.174	C	C	.	.	S	Bend	trans	-74.4	130.5	178.5	-78.5	169	0	0	0	110.5	T115 H142 N166 D173 M174	T115-L171 WeakPolarHBondContact OG1-CD1 3.36Å; H142-L171 HydrophobicContact CB-CD2 3.91Å; H142-L171 HydrophobicContact CB-CG 4.23Å; H142-L171 WeakPolarHBondContact ND1-CD2 3.31Å; N166-L171 HydrophobicContact CB-CD1 3.78Å; N166-L171 HydrophobicContact CB-CG 4.03Å; L171-D173 PolarHBondContact O-N 3.06Å; L171-M174 HydrophobicContact CB-CB 4.04Å; L171-M174 HydrophobicContact CB-CG 4.21Å; L171-M174 HydrophobicContact CB-SD 4.47Å; L171-M174 HydrophobicContact CD1-CG 4.25Å; L171-M174 HydrophobicContact CD1-SD 3.51Å; L171-M174 VanDerWaalsContact CD1-SD 3.51Å
172	P	84.9	Confident	91.1	Very high	95 Å²	95	30.6 Å²	30.6	62%	0.617	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-41.2	-177.1	-24.2	33.9	0	0	0	114.4	M174	P172-M174 VanDerWaalsContact C-N 3.32Å; P172-M174 PolarHBondContact O-N 3.33Å
173	D	84.1	Confident	90.8	Very high	153 Å²	153	30.7 Å²	30.7	82%	0.818	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	20.6	-171.7	-55.4	-47.7	0	0	0	113	L171	L171-D173 PolarHBondContact O-N 3.06Å
174	M	85.5	Confident	90.5	Very high	44 Å²	44	32.6 Å²	32.6	22%	0.217	18%	0.178	C	C	.	.			trans	-127	122.6	179.8	-75.6	-162.6	60.7	0	0	111	F105 T115 L171 P172 H276	F105-M174 HydrophobicContact CD1-CE 4.05Å; F105-M174 HydrophobicContact CE1-CE 3.65Å; F105-M174 HydrophobicContact CE1-SD 3.94Å; T115-M174 HydrophobicContact CG2-CE 3.57Å; T115-M174 HydrophobicContact CG2-SD 3.83Å; L171-M174 HydrophobicContact CB-CB 4.04Å; L171-M174 HydrophobicContact CB-CG 4.21Å; L171-M174 HydrophobicContact CB-SD 4.47Å; L171-M174 HydrophobicContact CD1-CG 4.25Å; L171-M174 HydrophobicContact CD1-SD 3.51Å; L171-M174 VanDerWaalsContact CD1-SD 3.51Å; P172-M174 VanDerWaalsContact C-N 3.32Å; P172-M174 PolarHBondContact O-N 3.33Å; M174-H276 PolarHBondContact O-CE1 2.96Å; M174-H276 VanDerWaalsContact O-CE1 3.31Å
175	E	84.6	Confident	90.3	Very high	173 Å²	173	32.6 Å²	32.6	81%	0.808	18%	0.178	S	C	*	.			trans	-70.8	143.1	171.5	-65.7	-170.4	163.2	0	0	111.1	T177	E175-T177 PolarHBondContact O-N 3.45Å
176	L	88.4	Confident	90.1	Very high	8 Å²	8	32.8 Å²	32.8	4%	0.042	18%	0.18	C	C	.	.			trans	-71	121.5	173.4	-171.4	69.1	0	0	0	109.9	L168 S178 R180 M181 H276 S279 L280	L168-L176 HydrophobicContact CD1-CD1 3.93Å; L168-L176 HydrophobicContact CD2-CD1 4.43Å; L168-L176 HydrophobicContact CG-CD1 3.7Å; L176-S178 WeakPolarHBondContact CD2-O 3.11Å; L176-S178 WeakPolarHBondContact CG-O 3.37Å; L176-R180 WeakPolarHBondContact CD1-O 3.5Å; L176-R180 WeakPolarHBondContact CD2-O 3.44Å; L176-M181 HydrophobicContact CD2-CG 3.81Å; L176-H276 HydrophobicContact CB-CB 4.22Å; L176-H276 HydrophobicContact CD2-CB 4.28Å; L176-S279 WeakPolarHBondContact O-CB 3.04Å; L176-S279 PolarHBondContact O-OG 2.96Å; L176-L280 HydrophobicContact CD2-CD2 3.48Å; L176-L280 VanDerWaalsContact CD2-CD2 3.48Å; L176-L280 HydrophobicContact CD2-CG 4.11Å
177	T	87.5	Confident	90.1	Very high	72 Å²	72	33.2 Å²	33.2	44%	0.442	18%	0.182	S	C	.	.			trans	-93.4	2.2	-179.7	70.8	0	0	0	0	113.9	G111 A112 T113 E175	G111-T177 VanDerWaalsContact O-O 3.13Å; G111-T177 PolarHBondContact O-OG1 3.05Å; A112-T177 WeakPolarHBondContact CA-OG1 3.31Å; T113-T177 PolarHBondContact N-OG1 3.49Å; T113-T177 PolarHBondContact OG1-OG1 2.79Å; E175-T177 PolarHBondContact O-N 3.45Å
178	S	83.1	Confident	90.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-127.6	159	-173.1	46.9	0	0	0	0	113.1	A112 L168 L176 R180	A112-S178 VanDerWaalsContact CB-CB 3.47Å; L168-S178 WeakPolarHBondContact CD2-OG 3.49Å; L176-S178 WeakPolarHBondContact CD2-O 3.11Å; L176-S178 WeakPolarHBondContact CG-O 3.37Å; S178-R180 PolarHBondContact O-N 2.84Å; S178-R180 PolarHBondContact OG-O 2.86Å
179	P	80.8	Confident	90.2	Very high	49 Å²	49	39.1 Å²	39.1	32%	0.318	20%	0.204	S	C	.	.	S	Bend	trans	-74.3	11.6	175.7	36.3	-42	0	0	0	114.3	S283 S284 F311	P179-S283 WeakPolarHBondContact CB-O 3.38Å; P179-S284 WeakPolarHBondContact O-CB 3.35Å; P179-F311 VanDerWaalsContact O-CD1 3.3Å; P179-F311 WeakPolarHBondContact O-CD1 3.37Å
180	R	88.9	Confident	90.6	Very high	6 Å²	6	38.6 Å²	38.6	2%	0.023	20%	0.198	C	C	.	.			trans	-144.3	159	-176.4	62.2	170.8	-171	82.4	15.3	111.9	D110 L168 L176 S178 E189 F311	D110-R180 IonicContact OD1-NH2 3.6Å; D110-R180 IonicContact OD2-CZ 3.63Å; D110-R180 IonicContact OD2-NE 3.62Å; D110-R180 PolarHBondContact OD2-NE 2.92Å; D110-R180 IonicContact OD2-NH2 2.76Å; D110-R180 PolarHBondContact OD2-NH2 3.29Å; L168-R180 HydrophobicContact CD2-CG 4.32Å; L176-R180 WeakPolarHBondContact CD1-O 3.5Å; L176-R180 WeakPolarHBondContact CD2-O 3.44Å; S178-R180 PolarHBondContact O-N 2.84Å; S178-R180 PolarHBondContact OG-O 2.86Å; R180-E189 IonicContact CZ-OE1 3.89Å; R180-E189 IonicContact NH1-OE1 3.91Å; R180-E189 PolarHBondContact NH1-OE1 2.72Å; R180-E189 IonicContact NH2-OE1 2.66Å; R180-E189 PolarHBondContact NH2-OE1 3.18Å; R180-F311 HydrophobicContact CB-CB 3.73Å; R180-F311 HydrophobicContact CB-CD1 4.15Å; R180-F311 HydrophobicContact CB-CG 4Å
181	M	91.1	Very high	90.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.204	C	C	.	.			trans	-109.2	175.3	167.3	-62.2	-179.7	72.8	0	0	110.4	L176 M269 L272 I273 L280 F311	L176-M181 HydrophobicContact CD2-CG 3.81Å; M181-M269 HydrophobicContact CE-CE 3.95Å; M181-L272 HydrophobicContact CE-CD2 4.22Å; M181-L272 HydrophobicContact CE-CG 3.87Å; M181-I273 HydrophobicContact CE-CG1 4.42Å; M181-I273 HydrophobicContact SD-CB 4.22Å; M181-I273 HydrophobicContact SD-CG1 3.72Å; M181-I273 HydrophobicContact SD-CG2 4.45Å; M181-L280 HydrophobicContact SD-CD1 4.21Å; M181-F311 HydrophobicContact CB-CD2 4.27Å; M181-F311 HydrophobicContact CB-CE2 3.83Å; M181-F311 HydrophobicContact CB-CZ 4.45Å; M181-F311 HydrophobicContact CG-CE2 3.94Å; M181-F311 HydrophobicContact CG-CZ 4.09Å; M181-F311 HydrophobicContact SD-CE2 4.26Å; M181-F311 HydrophobicContact SD-CZ 4.34Å
182	F	93.4	Very high	91.1	Very high	3 Å²	3	40.2 Å²	40.2	1%	0.013	21%	0.214	C	C	.	.			trans	-55.7	156	169.4	74.7	-85.3	0	0	0	111.2	I139 H167 L168 L213 M269 L272 M308	I139-F182 HydrophobicContact CG1-CE2 3.97Å; I139-F182 HydrophobicContact CG1-CZ 4.21Å; H167-F182 HydrophobicContact CB-CB 4.04Å; H167-F182 HydrophobicContact CB-CD1 3.69Å; H167-F182 HydrophobicContact CB-CD2 4.29Å; H167-F182 HydrophobicContact CB-CE1 4.25Å; H167-F182 HydrophobicContact CB-CG 3.73Å; H167-F182 AromaticContact CG-CG 3.98Å; L168-F182 HydrophobicContact CB-CB 4.38Å; L168-F182 WeakPolarHBondContact O-CD1 3.43Å; L168-F182 PolarHBondContact O-N 3.09Å; F182-L213 HydrophobicContact CE2-CD1 4.4Å; F182-M269 HydrophobicContact CE1-CE 4.15Å; F182-M269 HydrophobicContact CE1-SD 4.36Å; F182-M269 HydrophobicContact CZ-CE 4.1Å; F182-M269 HydrophobicContact CZ-SD 3.72Å; F182-L272 HydrophobicContact CE1-CD2 3.86Å; F182-L272 HydrophobicContact CZ-CD2 4.37Å; F182-M308 WeakPolarHBondContact O-CE 3.33Å
183	T	93.6	Very high	91.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	19%	0.185	C	C	.	.			trans	-127.9	179	173.9	60.8	0	0	0	0	111.3	G185 C186 H312 Y320 E324	T183-G185 PolarHBondContact O-N 2.89Å; T183-C186 WeakPolarHBondContact OG1-CB 3.19Å; T183-C186 PolarHBondContact OG1-N 3.3Å; T183-H312 WeakPolarHBondContact CG2-CE1 3.27Å; T183-H312 VanDerWaalsContact CG2-ND1 3.31Å; T183-H312 WeakPolarHBondContact CG2-ND1 3.43Å; T183-Y320 WeakPolarHBondContact CB-OH 3.25Å; T183-Y320 HydrophobicContact CG2-CE2 4.01Å; T183-E324 WeakPolarHBondContact CB-OE1 3.34Å; T183-E324 VanDerWaalsContact OG1-CD 3.28Å; T183-E324 PolarHBondContact OG1-OE1 3.45Å; T183-E324 PolarHBondContact OG1-OE2 3.17Å
184	Y	93	Very high	92.5	Very high	41 Å²	41	28.6 Å²	28.6	16%	0.161	15%	0.147	C	C	.	.	S	Bend	trans	-57.8	-30.5	-178.3	-177.2	-101.7	0	0	0	114.6	L213 N216 A244 Y320 E324	Y184-L213 HydrophobicContact CD2-CD1 3.87Å; Y184-L213 HydrophobicContact CD2-CG 3.98Å; Y184-L213 HydrophobicContact CE2-CG 4.42Å; Y184-N216 WeakPolarHBondContact CD1-ND2 3.46Å; Y184-N216 HydrophobicContact CE1-CB 4.03Å; Y184-N216 VanDerWaalsContact CE1-ND2 3.28Å; Y184-N216 WeakPolarHBondContact CE1-ND2 3.41Å; Y184-N216 WeakPolarHBondContact CE1-OD1 3.35Å; Y184-N216 PolarHBondContact O-ND2 3.47Å; Y184-A244 HydrophobicContact CD1-CB 3.67Å; Y184-A244 HydrophobicContact CE1-CB 3.59Å; Y184-A244 HydrophobicContact CG-CB 4.29Å; Y184-Y320 PolarHBondContact N-OH 2.87Å; Y184-E324 HydrophobicContact CD1-CB 4.09Å
185	G	94.1	Very high	93.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-143	13.6	-174.6	0	0	0	0	0	114.5	T183 T187 N216 K220 E324	T183-G185 PolarHBondContact O-N 2.89Å; G185-T187 PolarHBondContact O-N 3.25Å; G185-N216 WeakPolarHBondContact CA-ND2 3.37Å; G185-K220 WeakPolarHBondContact O-CD 3.38Å; G185-K220 WeakPolarHBondContact O-CE 3.24Å; G185-K220 PolarHBondContact O-NZ 3.41Å; G185-E324 WeakPolarHBondContact CA-O 3.24Å; G185-E324 WeakPolarHBondContact CA-OE2 3.46Å; G185-E324 PolarHBondContact N-OE2 3.36Å
186	C	94.8	Very high	93.7	Very high	6 Å²	6	23 Å²	23	4%	0.041	13%	0.127	C	C	.	.			trans	-64.9	124.6	174.5	-176.9	0	0	0	0	109.2	T183 W188 E324	T183-C186 WeakPolarHBondContact OG1-CB 3.19Å; T183-C186 PolarHBondContact OG1-N 3.3Å; C186-W188 VanDerWaalsContact SG-CD2 3.56Å; C186-W188 VanDerWaalsContact SG-CG 3.5Å; C186-E324 PolarHBondContact N-OE2 3.19Å
187	T	97.3	Very high	94.2	Very high	9 Å²	9	22.7 Å²	22.7	6%	0.055	13%	0.125	C	C	.	.			trans	-100.8	-0.7	-175.2	52.6	0	0	0	0	112.3	G185 F190 G191 I217 K220 F221 E224	G185-T187 PolarHBondContact O-N 3.25Å; T187-F190 PolarHBondContact O-N 2.83Å; T187-G191 PolarHBondContact O-N 3.05Å; T187-I217 HydrophobicContact CG2-CG2 4.31Å; T187-K220 HydrophobicContact CG2-CB 4.08Å; T187-K220 HydrophobicContact CG2-CD 4.35Å; T187-K220 HydrophobicContact CG2-CG 3.88Å; T187-F221 HydrophobicContact CG2-CB 3.82Å; T187-E224 WeakPolarHBondContact CB-OE2 3.13Å; T187-E224 WeakPolarHBondContact CG2-OE2 3.48Å; T187-E224 PolarHBondContact OG1-OE1 2.76Å; T187-E224 PolarHBondContact OG1-OE2 3.5Å
188	W	96.2	Very high	94.7	Very high	134 Å²	134	21 Å²	21	51%	0.508	11%	0.111	S	C	.	.	H	α-helix	trans	-66.5	-48.5	-169.8	-58.5	-11.2	0	0	0	112.3	M108 C186 G191 A192 H312	M108-W188 HydrophobicContact CE-CB 3.61Å; C186-W188 VanDerWaalsContact SG-CD2 3.56Å; C186-W188 VanDerWaalsContact SG-CG 3.5Å; W188-G191 PolarHBondContact O-N 2.86Å; W188-A192 WeakPolarHBondContact O-CB 3.44Å; W188-A192 PolarHBondContact O-N 3.13Å; W188-H312 AromaticContact CH2-CD2 3.84Å; W188-H312 AromaticContact CZ3-CD2 3.99Å
189	E	97.2	Very high	95.4	Very high	5 Å²	5	28.8 Å²	28.8	2%	0.023	14%	0.141	C	C	.	.	H	α-helix	trans	-67.2	-42.6	179.6	-60.7	68.8	-152.2	0	0	110.9	M108 A114 L165 L168 R180 A192 M193	M108-E189 HydrophobicContact CE-CG 4.42Å; M108-E189 HydrophobicContact SD-CG 4.04Å; A114-E189 HydrophobicContact CB-CB 4.09Å; A114-E189 HydrophobicContact CB-CG 3.92Å; L165-E189 HydrophobicContact CD1-CB 3.72Å; L165-E189 HydrophobicContact CD2-CB 4.41Å; L168-E189 HydrophobicContact CB-CG 4.41Å; R180-E189 IonicContact CZ-OE1 3.89Å; R180-E189 IonicContact NH1-OE1 3.91Å; R180-E189 PolarHBondContact NH1-OE1 2.72Å; R180-E189 IonicContact NH2-OE1 2.66Å; R180-E189 PolarHBondContact NH2-OE1 3.18Å; E189-A192 PolarHBondContact O-N 3.08Å; E189-M193 PolarHBondContact O-N 3.26Å
190	F	98.5	Very high	96.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.8	-44.8	178.9	-169.6	-111.3	0	0	0	111	V134 C136 L165 T187 A192 M193 V194 V208 I217 F221	V134-F190 HydrophobicContact CB-CE2 4.48Å; V134-F190 HydrophobicContact CB-CZ 4.29Å; V134-F190 HydrophobicContact CG2-CZ 4.08Å; C136-F190 HydrophobicContact CB-CD2 3.85Å; C136-F190 HydrophobicContact CB-CE2 3.69Å; C136-F190 HydrophobicContact CB-CZ 4.33Å; L165-F190 HydrophobicContact CB-CD2 4.4Å; L165-F190 HydrophobicContact CD2-CB 4.12Å; L165-F190 HydrophobicContact CD2-CD2 4.18Å; T187-F190 PolarHBondContact O-N 2.83Å; F190-A192 PolarHBondContact O-N 3.08Å; F190-M193 HydrophobicContact CD2-CE 3.59Å; F190-M193 HydrophobicContact CE2-CE 3.4Å; F190-M193 HydrophobicContact CZ-CE 4.39Å; F190-M193 WeakPolarHBondContact O-CB 3.5Å; F190-M193 PolarHBondContact O-N 2.66Å; F190-V194 HydrophobicContact CD1-CG2 4.29Å; F190-V194 HydrophobicContact CE1-CG2 3.98Å; F190-V194 HydrophobicContact CZ-CG2 4.12Å; F190-V194 WeakPolarHBondContact O-CG2 3.32Å; F190-V194 PolarHBondContact O-N 2.95Å; F190-V208 HydrophobicContact CE1-CG1 4.12Å; F190-V208 HydrophobicContact CZ-CG1 3.98Å; F190-I217 HydrophobicContact CB-CG2 3.83Å; F190-I217 HydrophobicContact CD1-CG2 4.35Å; F190-I217 HydrophobicContact CG-CG2 4.14Å; F190-F221 HydrophobicContact CD1-CB 4.02Å; F190-F221 AromaticContact CD1-CD1 3.83Å; F190-F221 HydrophobicContact CD1-CD1 3.83Å; F190-F221 HydrophobicContact CD1-CD2 4.44Å; F190-F221 HydrophobicContact CD1-CE1 4.43Å; F190-F221 AromaticContact CD1-CG 3.83Å; F190-F221 HydrophobicContact CD1-CG 3.83Å; F190-F221 HydrophobicContact CE1-CB 4.5Å; F190-F221 AromaticContact CE1-CD1 3.77Å; F190-F221 HydrophobicContact CE1-CD1 3.77Å; F190-F221 HydrophobicContact CE1-CE1 4.3Å; F190-F221 HydrophobicContact CE1-CG 4.23Å
191	G	98.3	Very high	96.7	Very high	16 Å²	16	30.4 Å²	30.4	17%	0.165	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-40.2	175.5	0	0	0	0	0	112.9	T187 W188 V194 A195	T187-G191 PolarHBondContact O-N 3.05Å; W188-G191 PolarHBondContact O-N 2.86Å; G191-V194 PolarHBondContact O-N 3.05Å; G191-A195 VanDerWaalsContact O-CB 3.28Å; G191-A195 WeakPolarHBondContact O-CB 3.21Å; G191-A195 PolarHBondContact O-N 3.05Å
192	A	98.4	Very high	97	Very high	30 Å²	30	34.1 Å²	34.1	25%	0.248	18%	0.176	C	C	.	.	H	α-helix	trans	-63	-42	175.3	0	0	0	0	0	112	L106 W188 E189 F190 Y196	L106-A192 HydrophobicContact CD1-CB 3.98Å; W188-A192 WeakPolarHBondContact O-CB 3.44Å; W188-A192 PolarHBondContact O-N 3.13Å; E189-A192 PolarHBondContact O-N 3.08Å; F190-A192 PolarHBondContact O-N 3.08Å; A192-Y196 PolarHBondContact O-N 3.11Å
193	M	98.7	Very high	97	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-51.3	173.2	179	-176.6	77	0	0	111.2	F116 V134 A163 L165 E189 F190 A195 Y196 I197	F116-M193 HydrophobicContact CB-CG 3.89Å; F116-M193 HydrophobicContact CB-SD 3.47Å; F116-M193 WeakPolarHBondContact CB-SD 3.27Å; F116-M193 HydrophobicContact CD1-CB 4.12Å; F116-M193 HydrophobicContact CD1-CG 3.78Å; F116-M193 HydrophobicContact CD2-CG 3.82Å; F116-M193 HydrophobicContact CD2-SD 4.01Å; F116-M193 HydrophobicContact CE1-CG 4.23Å; F116-M193 HydrophobicContact CE2-CG 4.26Å; F116-M193 HydrophobicContact CG-CB 4.31Å; F116-M193 HydrophobicContact CG-CG 3.55Å; F116-M193 HydrophobicContact CG-SD 3.77Å; F116-M193 HydrophobicContact CZ-CG 4.44Å; V134-M193 HydrophobicContact CB-CE 3.99Å; V134-M193 HydrophobicContact CG1-CE 4.45Å; A163-M193 HydrophobicContact CB-CG 4.5Å; A163-M193 HydrophobicContact CB-SD 4.2Å; L165-M193 HydrophobicContact CB-CE 4.15Å; L165-M193 HydrophobicContact CB-SD 3.96Å; L165-M193 PolarHBondContact N-SD 2.93Å; L165-M193 VanDerWaalsContact N-SD 3.4Å; E189-M193 PolarHBondContact O-N 3.26Å; F190-M193 HydrophobicContact CD2-CE 3.59Å; F190-M193 HydrophobicContact CE2-CE 3.4Å; F190-M193 HydrophobicContact CZ-CE 4.39Å; F190-M193 WeakPolarHBondContact O-CB 3.5Å; F190-M193 PolarHBondContact O-N 2.66Å; M193-A195 VanDerWaalsContact C-N 3.32Å; M193-A195 PolarHBondContact O-N 3.19Å; M193-Y196 WeakPolarHBondContact O-CB 3.45Å; M193-Y196 PolarHBondContact O-N 2.79Å; M193-Y196 VanDerWaalsContact O-N 3.13Å; M193-I197 WeakPolarHBondContact O-CG1 3.43Å; M193-I197 PolarHBondContact O-N 2.96Å
194	V	98.7	Very high	97.2	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-58.7	-44.2	179.3	172.2	0	0	0	0	111	V134 F190 G191 Y196 I197 K198 L206 F221	V134-V194 HydrophobicContact CB-CG2 4.15Å; V134-V194 HydrophobicContact CG1-CG2 4.23Å; V134-V194 HydrophobicContact CG2-CG2 4.03Å; F190-V194 HydrophobicContact CD1-CG2 4.29Å; F190-V194 HydrophobicContact CE1-CG2 3.98Å; F190-V194 HydrophobicContact CZ-CG2 4.12Å; F190-V194 WeakPolarHBondContact O-CG2 3.32Å; F190-V194 PolarHBondContact O-N 2.95Å; G191-V194 PolarHBondContact O-N 3.05Å; V194-Y196 VanDerWaalsContact C-N 3.33Å; V194-Y196 PolarHBondContact O-N 2.8Å; V194-I197 PolarHBondContact O-N 2.95Å; V194-K198 HydrophobicContact CG1-CD 4.34Å; V194-K198 WeakPolarHBondContact O-CG 3.49Å; V194-K198 PolarHBondContact O-N 3.07Å; V194-L206 HydrophobicContact CG1-CD1 3.88Å; V194-F221 HydrophobicContact CB-CE1 4.32Å; V194-F221 HydrophobicContact CB-CZ 4.02Å; V194-F221 HydrophobicContact CG1-CE1 4.14Å; V194-F221 HydrophobicContact CG1-CZ 3.96Å; V194-F221 HydrophobicContact CG2-CE1 4.08Å; V194-F221 HydrophobicContact CG2-CZ 4.22Å
195	A	98.1	Very high	97.4	Very high	48 Å²	48	43 Å²	43	40%	0.397	22%	0.219	S	C	.	.	H	α-helix	trans	-63.5	-37.1	177.1	0	0	0	0	0	112.6	G191 M193 R199	G191-A195 VanDerWaalsContact O-CB 3.28Å; G191-A195 WeakPolarHBondContact O-CB 3.21Å; G191-A195 PolarHBondContact O-N 3.05Å; M193-A195 VanDerWaalsContact C-N 3.32Å; M193-A195 PolarHBondContact O-N 3.19Å; A195-R199 WeakPolarHBondContact O-CB 3.33Å; A195-R199 PolarHBondContact O-N 2.83Å
196	Y	98.6	Very high	97.7	Very high	52 Å²	52	43 Å²	43	20%	0.204	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-48.3	172	-179.2	-78.9	0	0	0	111	K104 L106 F116 A192 M193 V194 R199 A200	K104-Y196 HydrophobicContact CG-CE1 4.47Å; K104-Y196 PolarHBondContact NZ-OH 3.18Å; L106-Y196 HydrophobicContact CD2-CD2 3.53Å; L106-Y196 HydrophobicContact CD2-CE2 4.21Å; L106-Y196 HydrophobicContact CD2-CG 4.15Å; F116-Y196 HydrophobicContact CE1-CD1 4.17Å; F116-Y196 HydrophobicContact CE1-CG 4.15Å; F116-Y196 HydrophobicContact CE2-CD1 4.41Å; F116-Y196 AromaticContact CZ-CD1 3.45Å; F116-Y196 HydrophobicContact CZ-CD1 3.45Å; F116-Y196 VanDerWaalsContact CZ-CD1 3.45Å; F116-Y196 AromaticContact CZ-CE1 3.81Å; F116-Y196 HydrophobicContact CZ-CE1 3.81Å; F116-Y196 AromaticContact CZ-CG 3.89Å; F116-Y196 HydrophobicContact CZ-CG 3.89Å; A192-Y196 PolarHBondContact O-N 3.11Å; M193-Y196 WeakPolarHBondContact O-CB 3.45Å; M193-Y196 PolarHBondContact O-N 2.79Å; M193-Y196 VanDerWaalsContact O-N 3.13Å; V194-Y196 VanDerWaalsContact C-N 3.33Å; V194-Y196 PolarHBondContact O-N 2.8Å; Y196-R199 PolarHBondContact O-N 3.32Å; Y196-A200 HydrophobicContact CD1-CB 4.14Å; Y196-A200 HydrophobicContact CE1-CB 3.85Å; Y196-A200 WeakPolarHBondContact O-CB 3.49Å; Y196-A200 PolarHBondContact O-N 2.93Å
197	I	98.6	Very high	97.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-47.9	-178.6	-64.6	-59.7	0	0	0	111	F116 L118 T132 V134 A163 M193 V194 R199 A200 F201 T204 L206	F116-I197 HydrophobicContact CE2-CD1 3.99Å; F116-I197 HydrophobicContact CZ-CD1 4.38Å; L118-I197 HydrophobicContact CD1-CD1 3.7Å; T132-I197 HydrophobicContact CG2-CG2 3.79Å; V134-I197 HydrophobicContact CG1-CG1 4.31Å; A163-I197 HydrophobicContact CB-CD1 3.66Å; A163-I197 HydrophobicContact CB-CG1 3.84Å; M193-I197 WeakPolarHBondContact O-CG1 3.43Å; M193-I197 PolarHBondContact O-N 2.96Å; V194-I197 PolarHBondContact O-N 2.95Å; I197-R199 PolarHBondContact O-N 3.43Å; I197-A200 PolarHBondContact O-N 3.5Å; I197-F201 HydrophobicContact CD1-CD2 4.48Å; I197-F201 HydrophobicContact CD1-CE2 4.36Å; I197-F201 HydrophobicContact CG2-CD2 4.29Å; I197-F201 PolarHBondContact O-N 3.18Å; I197-T204 HydrophobicContact CG2-CG2 4.06Å; I197-L206 HydrophobicContact CG2-CD2 3.76Å
198	K	98.1	Very high	97.9	Very high	36 Å²	36	42.3 Å²	42.3	16%	0.157	21%	0.214	C	C	.	.	H	α-helix	trans	-56.6	-38.2	176.4	-71.7	-177.7	172.1	-175.8	0	112.4	V194 F201 P202 L206 S227 E230	V194-K198 HydrophobicContact CG1-CD 4.34Å; V194-K198 WeakPolarHBondContact O-CG 3.49Å; V194-K198 PolarHBondContact O-N 3.07Å; K198-F201 CarbonylContact O-C 3.49Å; K198-P202 VanDerWaalsContact O-CA 3.32Å; K198-P202 WeakPolarHBondContact O-CA 3.37Å; K198-L206 HydrophobicContact CD-CD1 4.25Å; K198-L206 VanDerWaalsContact CE-CD1 3.43Å; K198-L206 HydrophobicContact CG-CD1 3.83Å; K198-S227 PolarHBondContact NZ-O 2.84Å; K198-E230 WeakPolarHBondContact CE-O 3.36Å; K198-E230 PolarHBondContact NZ-O 3.36Å
199	R	97.9	Very high	98.1	Very high	164 Å²	164	35.9 Å²	35.9	62%	0.619	19%	0.19	S	C	*	.	H	α-helix	trans	-74.9	-41.8	178.6	-176.7	176.1	62.8	-104	2.1	112.6	A195 Y196 I197	A195-R199 WeakPolarHBondContact O-CB 3.33Å; A195-R199 PolarHBondContact O-N 2.83Å; Y196-R199 PolarHBondContact O-N 3.32Å; I197-R199 PolarHBondContact O-N 3.43Å
200	A	98.1	Very high	98.1	Very high	46 Å²	46	35.7 Å²	35.7	38%	0.38	19%	0.189	S	C	.	.	H	α-helix	trans	-72.9	-31.4	-178.3	0	0	0	0	0	112.3	Y196 I197	Y196-A200 HydrophobicContact CD1-CB 4.14Å; Y196-A200 HydrophobicContact CE1-CB 3.85Å; Y196-A200 WeakPolarHBondContact O-CB 3.49Å; Y196-A200 PolarHBondContact O-N 2.93Å; I197-A200 PolarHBondContact O-N 3.5Å
201	F	97.8	Very high	98.1	Very high	44 Å²	44	35.7 Å²	35.7	19%	0.193	19%	0.189	C	C	.	.			trans	-131.8	73.1	-178.1	-52.6	-78.2	0	0	0	110.9	L118 I197 K198 Q203 T204	L118-F201 HydrophobicContact CD1-CE2 4.45Å; L118-F201 HydrophobicContact CD2-CE2 3.88Å; L118-F201 HydrophobicContact CD2-CZ 3.96Å; I197-F201 HydrophobicContact CD1-CD2 4.48Å; I197-F201 HydrophobicContact CD1-CE2 4.36Å; I197-F201 HydrophobicContact CG2-CD2 4.29Å; I197-F201 PolarHBondContact O-N 3.18Å; K198-F201 CarbonylContact O-C 3.49Å; F201-Q203 PolarHBondContact O-N 2.79Å; F201-T204 HydrophobicContact CB-CG2 3.81Å; F201-T204 WeakPolarHBondContact O-CB 3.3Å; F201-T204 WeakPolarHBondContact O-CG2 3.47Å; F201-T204 PolarHBondContact O-N 2.82Å
202	P	96.9	Very high	98	Very high	78 Å²	78	36 Å²	36	51%	0.506	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.4	-171	-25.1	35.4	0	0	0	116	K198	K198-P202 VanDerWaalsContact O-CA 3.32Å; K198-P202 WeakPolarHBondContact O-CA 3.37Å
203	Q	95.3	Very high	98	Very high	162 Å²	162	34.9 Å²	34.9	76%	0.757	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-7	179.2	-57.7	-57.7	-46.7	0	0	112.8	F201	F201-Q203 PolarHBondContact O-N 2.79Å
204	T	97.3	Very high	97.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.179	C	C	.	.			trans	-70.6	137.2	-178.1	-156.9	0	0	0	0	110	D130 T132 R161 I197 F201 L206 Q231	D130-T204 WeakPolarHBondContact O-CA 3.35Å; D130-T204 PolarHBondContact O-OG1 2.98Å; D130-T204 WeakPolarHBondContact OD1-CB 3.3Å; D130-T204 PolarHBondContact OD1-OG1 3.4Å; T132-T204 PolarHBondContact N-OG1 3.36Å; T132-T204 PolarHBondContact OG1-OG1 3.5Å; R161-T204 PolarHBondContact NH1-OG1 3.05Å; I197-T204 HydrophobicContact CG2-CG2 4.06Å; F201-T204 HydrophobicContact CB-CG2 3.81Å; F201-T204 WeakPolarHBondContact O-CB 3.3Å; F201-T204 WeakPolarHBondContact O-CG2 3.47Å; F201-T204 PolarHBondContact O-N 2.82Å; T204-L206 HydrophobicContact CG2-CD2 3.74Å; T204-Q231 PolarHBondContact O-OE1 3.4Å
205	Q	97.9	Very high	97.9	Very high	69 Å²	69	34.7 Å²	34.7	32%	0.322	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	146.9	163.9	-63.7	-61.7	-43.7	0	0	109.1	D130 V131 T132 Q231 L233	D130-Q205 PolarHBondContact O-N 2.84Å; V131-Q205 CarbonylContact C-O 3.58Å; V131-Q205 WeakPolarHBondContact CA-O 3.48Å; T132-Q205 PolarHBondContact N-O 2.84Å; Q205-Q231 PolarHBondContact OE1-O 2.78Å; Q205-L233 HydrophobicContact CB-CD1 3.61Å; Q205-L233 HydrophobicContact CB-CD2 4.08Å; Q205-L233 HydrophobicContact CB-CG 3.74Å; Q205-L233 HydrophobicContact CG-CD1 4.36Å; Q205-L233 HydrophobicContact CG-CD2 4.17Å; Q205-L233 HydrophobicContact CG-CG 4.38Å
206	L	98.7	Very high	97.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140.3	-173.9	-60.5	-177.6	0	0	0	111.9	T132 V134 V194 I197 K198 T204 Q231 V232 L233	T132-L206 WeakPolarHBondContact O-CA 3.32Å; V134-L206 HydrophobicContact CG1-CD2 4.21Å; V194-L206 HydrophobicContact CG1-CD1 3.88Å; I197-L206 HydrophobicContact CG2-CD2 3.76Å; K198-L206 HydrophobicContact CD-CD1 4.25Å; K198-L206 VanDerWaalsContact CE-CD1 3.43Å; K198-L206 HydrophobicContact CG-CD1 3.83Å; T204-L206 HydrophobicContact CG2-CD2 3.74Å; L206-Q231 PolarHBondContact N-O 3.38Å; L206-V232 HydrophobicContact CB-CG2 4.1Å; L206-V232 HydrophobicContact CD1-CG2 4.38Å; L206-V232 CarbonylContact O-C 3.55Å; L206-V232 WeakPolarHBondContact O-CA 3.26Å; L206-L233 PolarHBondContact O-N 2.94Å
207	V	98.8	Very high	97.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121	168.9	174.8	0	0	0	0	107	V131 T132 M133 V134 V209 L233 I236 T401	V131-V207 HydrophobicContact CG1-CG2 3.65Å; T132-V207 PolarHBondContact O-N 2.99Å; M133-V207 CarbonylContact C-O 3.55Å; M133-V207 VanDerWaalsContact CA-O 3.31Å; M133-V207 WeakPolarHBondContact CA-O 3.41Å; M133-V207 HydrophobicContact CG-CB 4.04Å; M133-V207 HydrophobicContact CG-CG1 4.23Å; V134-V207 WeakPolarHBondContact CG2-O 3.42Å; V134-V207 PolarHBondContact N-O 3.45Å; V207-V209 HydrophobicContact CG1-CG2 4.07Å; V207-L233 HydrophobicContact CG2-CB 4.49Å; V207-L233 HydrophobicContact CG2-CD1 4.39Å; V207-I236 HydrophobicContact CG1-CD1 3.78Å; V207-T401 HydrophobicContact CB-CG2 4.08Å; V207-T401 HydrophobicContact CG1-CG2 3.72Å; V207-T401 HydrophobicContact CG2-CG2 3.35Å
208	V	98.9	Very high	97.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.7	-177.9	178.7	0	0	0	0	108.8	V134 F190 A218 L222 V232 C234 C235 I236	V134-V208 HydrophobicContact CG2-CB 4.27Å; V134-V208 HydrophobicContact CG2-CG2 3.71Å; F190-V208 HydrophobicContact CE1-CG1 4.12Å; F190-V208 HydrophobicContact CZ-CG1 3.98Å; V208-A218 HydrophobicContact CG1-CB 3.63Å; V208-L222 HydrophobicContact CB-CD1 4.31Å; V208-L222 HydrophobicContact CG1-CD1 4.29Å; V208-L222 HydrophobicContact CG2-CD1 4.28Å; V208-L222 HydrophobicContact CG2-CD2 4.25Å; V208-V232 HydrophobicContact CG2-CG1 3.82Å; V208-V232 HydrophobicContact CG2-CG2 4.18Å; V208-C234 PolarHBondContact N-O 2.86Å; V208-C235 HydrophobicContact CB-CB 4.13Å; V208-C235 CarbonylContact O-C 3.53Å; V208-C235 VanDerWaalsContact O-CA 3.26Å; V208-C235 WeakPolarHBondContact O-CA 3.35Å; V208-I236 PolarHBondContact O-N 2.86Å
209	V	98.9	Very high	98	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.8	178.9	-173.6	0	0	0	0	109.5	V134 I135 C136 F151 V207 F211 I236 I397	V134-V209 PolarHBondContact O-N 2.83Å; I135-V209 CarbonylContact C-O 3.48Å; I135-V209 WeakPolarHBondContact CA-O 3.41Å; I135-V209 HydrophobicContact CG1-CB 4.23Å; C136-V209 PolarHBondContact N-O 2.95Å; F151-V209 HydrophobicContact CE1-CG1 4.18Å; F151-V209 HydrophobicContact CE1-CG2 4.49Å; F151-V209 HydrophobicContact CZ-CG1 4.3Å; F151-V209 HydrophobicContact CZ-CG2 4.41Å; V207-V209 HydrophobicContact CG1-CG2 4.07Å; V209-F211 HydrophobicContact CG1-CD2 4.43Å; V209-F211 HydrophobicContact CG1-CE1 4.42Å; V209-F211 HydrophobicContact CG1-CE2 3.77Å; V209-F211 HydrophobicContact CG1-CZ 3.77Å; V209-I236 WeakPolarHBondContact CA-O 3.23Å; V209-I397 HydrophobicContact CG1-CD1 4.2Å; V209-I397 HydrophobicContact CG1-CG2 4.17Å; V209-I397 HydrophobicContact CG2-CG2 4Å
210	G	98.6	Very high	98	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.6	179	0	0	0	0	0	112.4	G215 I236 S237 V238	G210-G215 VanDerWaalsContact C-N 3.35Å; G210-I236 PolarHBondContact N-O 2.75Å; G210-S237 WeakPolarHBondContact O-CA 3.21Å; G210-V238 PolarHBondContact O-N 2.86Å
211	F	98.2	Very high	98	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.2	179.5	-63.3	-76.3	0	0	0	111.3	I135 C136 G138 Y147 I148 F151 V209 L213 G214 V238 M377 M393 I397	I135-F211 HydrophobicContact CG2-CD2 4.14Å; I135-F211 HydrophobicContact CG2-CE2 3.8Å; C136-F211 PolarHBondContact O-N 3.3Å; G138-F211 WeakPolarHBondContact CA-O 3.37Å; G138-F211 PolarHBondContact N-O 2.82Å; Y147-F211 HydrophobicContact CE2-CB 4.17Å; Y147-F211 HydrophobicContact CE2-CD1 4.41Å; Y147-F211 AromaticContact CE2-CD2 3.91Å; Y147-F211 HydrophobicContact CE2-CD2 3.91Å; Y147-F211 HydrophobicContact CE2-CE2 4.36Å; Y147-F211 AromaticContact CE2-CG 3.92Å; Y147-F211 HydrophobicContact CE2-CG 3.92Å; I148-F211 HydrophobicContact CD1-CD2 3.99Å; I148-F211 HydrophobicContact CD1-CE2 4.04Å; F151-F211 HydrophobicContact CD1-CE2 4.12Å; F151-F211 AromaticContact CD1-CZ 3.95Å; F151-F211 HydrophobicContact CD1-CZ 3.95Å; F151-F211 HydrophobicContact CE1-CE2 4.38Å; F151-F211 HydrophobicContact CE1-CZ 4.19Å; F151-F211 HydrophobicContact CG-CZ 4.17Å; V209-F211 HydrophobicContact CG1-CD2 4.43Å; V209-F211 HydrophobicContact CG1-CE1 4.42Å; V209-F211 HydrophobicContact CG1-CE2 3.77Å; V209-F211 HydrophobicContact CG1-CZ 3.77Å; F211-L213 PolarHBondContact O-N 2.95Å; F211-L213 VanDerWaalsContact O-N 3.16Å; F211-G214 WeakPolarHBondContact O-CA 3.3Å; F211-G214 PolarHBondContact O-N 2.92Å; F211-V238 HydrophobicContact CD1-CB 3.99Å; F211-V238 HydrophobicContact CD1-CG1 4.46Å; F211-V238 HydrophobicContact CD1-CG2 4.31Å; F211-V238 HydrophobicContact CE1-CB 4.45Å; F211-V238 HydrophobicContact CE1-CG2 4.33Å; F211-M377 HydrophobicContact CB-CE 3.76Å; F211-M377 HydrophobicContact CB-SD 4.07Å; F211-M377 HydrophobicContact CD1-CE 3.5Å; F211-M377 VanDerWaalsContact CD1-CE 3.5Å; F211-M377 HydrophobicContact CD1-SD 4.1Å; F211-M377 HydrophobicContact CE1-CE 4.33Å; F211-M377 HydrophobicContact CG-CE 3.88Å; F211-M393 HydrophobicContact CE1-SD 4.24Å; F211-I397 HydrophobicContact CE1-CD1 3.62Å; F211-I397 HydrophobicContact CZ-CD1 3.77Å
212	S	96.4	Very high	98.1	Very high	23 Å²	23	17.2 Å²	17.2	16%	0.161	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	-115.4	179.9	-177	0	0	0	0	111.2	G214 G215 N216 V238 H376	S212-G214 PolarHBondContact O-N 3.41Å; S212-G215 WeakPolarHBondContact O-CA 3.47Å; S212-G215 PolarHBondContact O-N 3.17Å; S212-N216 PolarHBondContact O-N 3.47Å; S212-V238 PolarHBondContact N-O 2.88Å; S212-H376 WeakPolarHBondContact CB-NE2 3.32Å; S212-H376 PolarHBondContact OG-CE1 3.19Å; S212-H376 VanDerWaalsContact OG-CE1 3.31Å; S212-H376 PolarHBondContact OG-NE2 2.92Å
213	L	96.9	Very high	98.1	Very high	7 Å²	7	13.7 Å²	13.7	4%	0.037	7%	0.067	C	C	.	.	H	α-helix	trans	-52.6	-39.4	171.3	-179.2	155.9	0	0	0	112.6	I139 F182 Y184 F211 G215 N216 I217	I139-L213 HydrophobicContact CB-CB 4.17Å; I139-L213 HydrophobicContact CB-CD1 3.67Å; I139-L213 HydrophobicContact CD1-CD1 4.04Å; I139-L213 HydrophobicContact CG1-CD1 3.72Å; F182-L213 HydrophobicContact CE2-CD1 4.4Å; Y184-L213 HydrophobicContact CD2-CD1 3.87Å; Y184-L213 HydrophobicContact CD2-CG 3.98Å; Y184-L213 HydrophobicContact CE2-CG 4.42Å; F211-L213 PolarHBondContact O-N 2.95Å; F211-L213 VanDerWaalsContact O-N 3.16Å; L213-G215 PolarHBondContact O-N 2.87Å; L213-N216 WeakPolarHBondContact O-CB 3.3Å; L213-N216 PolarHBondContact O-N 3.24Å; L213-I217 HydrophobicContact CD2-CD1 3.43Å; L213-I217 VanDerWaalsContact CD2-CD1 3.43Å; L213-I217 HydrophobicContact CD2-CG1 4.12Å; L213-I217 PolarHBondContact O-N 3Å; L213-I217 VanDerWaalsContact O-N 3.13Å
214	G	98.3	Very high	98.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.7	-25.6	177.9	0	0	0	0	0	113.4	C136 P137 F211 S212 A218	C136-G214 WeakPolarHBondContact SG-CA 3.28Å; P137-G214 VanDerWaalsContact O-CA 3.26Å; P137-G214 WeakPolarHBondContact O-CA 3.39Å; P137-G214 PolarHBondContact O-N 3.04Å; F211-G214 WeakPolarHBondContact O-CA 3.3Å; F211-G214 PolarHBondContact O-N 2.92Å; S212-G214 PolarHBondContact O-N 3.41Å; G214-A218 VanDerWaalsContact O-CB 3.25Å; G214-A218 WeakPolarHBondContact O-CB 3.22Å; G214-A218 PolarHBondContact O-N 2.84Å
215	G	98.3	Very high	98.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.3	-48.7	167.6	0	0	0	0	0	111.2	G210 S212 L213 I217 A218 C219 S237 Q240	G210-G215 VanDerWaalsContact C-N 3.35Å; S212-G215 WeakPolarHBondContact O-CA 3.47Å; S212-G215 PolarHBondContact O-N 3.17Å; L213-G215 PolarHBondContact O-N 2.87Å; G215-I217 VanDerWaalsContact C-N 3.33Å; G215-I217 PolarHBondContact O-N 2.76Å; G215-A218 PolarHBondContact O-N 2.92Å; G215-C219 WeakPolarHBondContact O-CB 3.43Å; G215-C219 PolarHBondContact O-N 2.74Å; G215-C219 PolarHBondContact O-SG 2.81Å; G215-C219 VanDerWaalsContact O-SG 3.33Å; G215-S237 VanDerWaalsContact CA-OG 3.3Å; G215-S237 WeakPolarHBondContact CA-OG 3.39Å; G215-Q240 VanDerWaalsContact CA-OE1 3.24Å; G215-Q240 PolarHBondContact O-OE1 2.82Å
216	N	98.5	Very high	98	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.7	-46.4	-179.4	177.6	83.7	0	0	0	110.5	Y184 G185 S212 L213 K220 Q240 E324 C326	Y184-N216 WeakPolarHBondContact CD1-ND2 3.46Å; Y184-N216 HydrophobicContact CE1-CB 4.03Å; Y184-N216 VanDerWaalsContact CE1-ND2 3.28Å; Y184-N216 WeakPolarHBondContact CE1-ND2 3.41Å; Y184-N216 WeakPolarHBondContact CE1-OD1 3.35Å; Y184-N216 PolarHBondContact O-ND2 3.47Å; G185-N216 WeakPolarHBondContact CA-ND2 3.37Å; S212-N216 PolarHBondContact O-N 3.47Å; L213-N216 WeakPolarHBondContact O-CB 3.3Å; L213-N216 PolarHBondContact O-N 3.24Å; N216-K220 WeakPolarHBondContact O-CB 3.29Å; N216-K220 PolarHBondContact O-N 2.79Å; N216-Q240 HydrophobicContact CB-CG 4.3Å; N216-E324 PolarHBondContact ND2-O 3.37Å; N216-C326 VanDerWaalsContact O-CB 3.29Å; N216-C326 WeakPolarHBondContact O-CB 3.35Å; N216-C326 WeakPolarHBondContact OD1-CB 3.19Å; N216-C326 PolarHBondContact OD1-N 2.97Å
217	I	98.6	Very high	97.9	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.015	11%	0.107	C	C	.	.	H	α-helix	trans	-60.1	-47.9	175.2	-68.1	174.7	0	0	0	111.1	T187 F190 L213 G215 K220 F221	T187-I217 HydrophobicContact CG2-CG2 4.31Å; F190-I217 HydrophobicContact CB-CG2 3.83Å; F190-I217 HydrophobicContact CD1-CG2 4.35Å; F190-I217 HydrophobicContact CG-CG2 4.14Å; L213-I217 HydrophobicContact CD2-CD1 3.43Å; L213-I217 VanDerWaalsContact CD2-CD1 3.43Å; L213-I217 HydrophobicContact CD2-CG1 4.12Å; L213-I217 PolarHBondContact O-N 3Å; L213-I217 VanDerWaalsContact O-N 3.13Å; G215-I217 VanDerWaalsContact C-N 3.33Å; G215-I217 PolarHBondContact O-N 2.76Å; I217-K220 PolarHBondContact O-N 3.09Å; I217-F221 VanDerWaalsContact O-CB 3.24Å; I217-F221 WeakPolarHBondContact O-CB 3.4Å; I217-F221 PolarHBondContact O-N 2.83Å
218	A	98.6	Very high	97.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.1	-48.7	-179.7	0	0	0	0	0	112.5	V208 G214 G215 F221 L222	V208-A218 HydrophobicContact CG1-CB 3.63Å; G214-A218 VanDerWaalsContact O-CB 3.25Å; G214-A218 WeakPolarHBondContact O-CB 3.22Å; G214-A218 PolarHBondContact O-N 2.84Å; G215-A218 PolarHBondContact O-N 2.92Å; A218-F221 PolarHBondContact O-N 2.8Å; A218-L222 WeakPolarHBondContact O-CG 3.26Å; A218-L222 PolarHBondContact O-N 2.84Å; A218-L222 VanDerWaalsContact O-N 3.13Å
219	C	98.6	Very high	97.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65	-40.8	178.4	-65.6	0	0	0	0	111.7	G215 G223 Q240 C326 V330	G215-C219 WeakPolarHBondContact O-CB 3.43Å; G215-C219 PolarHBondContact O-N 2.74Å; G215-C219 PolarHBondContact O-SG 2.81Å; G215-C219 VanDerWaalsContact O-SG 3.33Å; C219-G223 PolarHBondContact O-N 3.26Å; C219-Q240 PolarHBondContact SG-OE1 2.97Å; C219-Q240 VanDerWaalsContact SG-OE1 3.39Å; C219-C326 HydrophobicContact CB-CB 3.89Å; C219-V330 HydrophobicContact CB-CG2 4.26Å
220	K	98.6	Very high	97.7	Very high	12 Å²	12	30.3 Å²	30.3	5%	0.052	15%	0.145	C	C	.	.	H	α-helix	trans	-64.1	-49.1	176.8	-177.9	165.1	172.9	-75.1	0	111	G185 T187 N216 I217 L222 G223 E224 K323 C326 Y329	G185-K220 WeakPolarHBondContact O-CD 3.38Å; G185-K220 WeakPolarHBondContact O-CE 3.24Å; G185-K220 PolarHBondContact O-NZ 3.41Å; T187-K220 HydrophobicContact CG2-CB 4.08Å; T187-K220 HydrophobicContact CG2-CD 4.35Å; T187-K220 HydrophobicContact CG2-CG 3.88Å; N216-K220 WeakPolarHBondContact O-CB 3.29Å; N216-K220 PolarHBondContact O-N 2.79Å; I217-K220 PolarHBondContact O-N 3.09Å; K220-L222 VanDerWaalsContact C-N 3.33Å; K220-L222 PolarHBondContact O-N 2.82Å; K220-G223 CarbonylContact O-C 3.57Å; K220-G223 PolarHBondContact O-N 3.25Å; K220-E224 VanDerWaalsContact CE-OE1 3.32Å; K220-E224 WeakPolarHBondContact CE-OE1 3.03Å; K220-E224 HydrophobicContact CG-CG 4.1Å; K220-E224 IonicContact NZ-OE1 2.84Å; K220-E224 PolarHBondContact NZ-OE1 3.01Å; K220-E224 WeakPolarHBondContact O-CB 3.36Å; K220-E224 VanDerWaalsContact O-CG 3.28Å; K220-E224 WeakPolarHBondContact O-CG 3.4Å; K220-E224 PolarHBondContact O-N 3.42Å; K220-K323 WeakPolarHBondContact CE-O 3.44Å; K220-C326 HydrophobicContact CB-CB 3.84Å; K220-Y329 HydrophobicContact CD-CD2 4.14Å; K220-Y329 HydrophobicContact CD-CE2 4.12Å; K220-Y329 HydrophobicContact CG-CD2 3.82Å; K220-Y329 HydrophobicContact CG-CE2 4.18Å; K220-Y329 HydrophobicContact CG-CG 4.2Å
221	F	98.7	Very high	97.6	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.035	16%	0.16	C	C	.	.	H	α-helix	trans	-53.6	-48.5	177.8	169.1	-105.3	0	0	0	111.8	T187 F190 V194 I217 A218 G223 N228	T187-F221 HydrophobicContact CG2-CB 3.82Å; F190-F221 HydrophobicContact CD1-CB 4.02Å; F190-F221 AromaticContact CD1-CD1 3.83Å; F190-F221 HydrophobicContact CD1-CD1 3.83Å; F190-F221 HydrophobicContact CD1-CD2 4.44Å; F190-F221 HydrophobicContact CD1-CE1 4.43Å; F190-F221 AromaticContact CD1-CG 3.83Å; F190-F221 HydrophobicContact CD1-CG 3.83Å; F190-F221 HydrophobicContact CE1-CB 4.5Å; F190-F221 AromaticContact CE1-CD1 3.77Å; F190-F221 HydrophobicContact CE1-CD1 3.77Å; F190-F221 HydrophobicContact CE1-CE1 4.3Å; F190-F221 HydrophobicContact CE1-CG 4.23Å; V194-F221 HydrophobicContact CB-CE1 4.32Å; V194-F221 HydrophobicContact CB-CZ 4.02Å; V194-F221 HydrophobicContact CG1-CE1 4.14Å; V194-F221 HydrophobicContact CG1-CZ 3.96Å; V194-F221 HydrophobicContact CG2-CE1 4.08Å; V194-F221 HydrophobicContact CG2-CZ 4.22Å; I217-F221 VanDerWaalsContact O-CB 3.24Å; I217-F221 WeakPolarHBondContact O-CB 3.4Å; I217-F221 PolarHBondContact O-N 2.83Å; A218-F221 PolarHBondContact O-N 2.8Å; F221-G223 VanDerWaalsContact C-N 3.33Å; F221-G223 PolarHBondContact O-N 2.85Å; F221-N228 HydrophobicContact CD1-CB 4.23Å; F221-N228 HydrophobicContact CD2-CB 4.36Å; F221-N228 HydrophobicContact CE1-CB 3.76Å; F221-N228 HydrophobicContact CE2-CB 3.88Å; F221-N228 WeakPolarHBondContact CE2-ND2 3.35Å; F221-N228 HydrophobicContact CZ-CB 3.57Å; F221-N228 WeakPolarHBondContact O-CB 3.42Å; F221-N228 PolarHBondContact O-ND2 3.4Å
222	L	98.6	Very high	97.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67.3	-33.9	178.6	-66.8	176.2	0	0	0	112.8	V208 A218 K220 Q229 V232 C235 V333 V335	V208-L222 HydrophobicContact CB-CD1 4.31Å; V208-L222 HydrophobicContact CG1-CD1 4.29Å; V208-L222 HydrophobicContact CG2-CD1 4.28Å; V208-L222 HydrophobicContact CG2-CD2 4.25Å; A218-L222 WeakPolarHBondContact O-CG 3.26Å; A218-L222 PolarHBondContact O-N 2.84Å; A218-L222 VanDerWaalsContact O-N 3.13Å; K220-L222 VanDerWaalsContact C-N 3.33Å; K220-L222 PolarHBondContact O-N 2.82Å; L222-Q229 HydrophobicContact CB-CG 4.21Å; L222-Q229 HydrophobicContact CD2-CG 4.02Å; L222-Q229 WeakPolarHBondContact O-CG 3.47Å; L222-Q229 PolarHBondContact O-NE2 2.86Å; L222-V232 HydrophobicContact CD2-CG1 4.49Å; L222-V232 HydrophobicContact CD2-CG2 4.17Å; L222-C235 HydrophobicContact CD1-CB 3.51Å; L222-V333 HydrophobicContact CB-CG1 4.38Å; L222-V333 HydrophobicContact CB-CG2 3.83Å; L222-V333 HydrophobicContact CD1-CG1 4.39Å; L222-V335 HydrophobicContact CD1-CG2 4.29Å
223	G	98.1	Very high	97.7	Very high	3 Å²	3	34 Å²	34	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-82.8	-16.9	-178.8	0	0	0	0	0	115.4	C219 K220 F221 Y329 N332	C219-G223 PolarHBondContact O-N 3.26Å; K220-G223 CarbonylContact O-C 3.57Å; K220-G223 PolarHBondContact O-N 3.25Å; F221-G223 VanDerWaalsContact C-N 3.33Å; F221-G223 PolarHBondContact O-N 2.85Å; G223-Y329 VanDerWaalsContact CA-O 3.26Å; G223-Y329 WeakPolarHBondContact CA-O 3.35Å; G223-N332 WeakPolarHBondContact O-CB 3.07Å; G223-N332 PolarHBondContact O-ND2 3.41Å
224	E	97.9	Very high	97.7	Very high	71 Å²	71	33.7 Å²	33.7	33%	0.332	16%	0.16	S	C	.	.	H	α-helix	trans	-73.2	-37.5	180	-83.8	173.7	161.7	0	0	112.9	T187 K220 Y329	T187-E224 WeakPolarHBondContact CB-OE2 3.13Å; T187-E224 WeakPolarHBondContact CG2-OE2 3.48Å; T187-E224 PolarHBondContact OG1-OE1 2.76Å; T187-E224 PolarHBondContact OG1-OE2 3.5Å; K220-E224 VanDerWaalsContact CE-OE1 3.32Å; K220-E224 WeakPolarHBondContact CE-OE1 3.03Å; K220-E224 HydrophobicContact CG-CG 4.1Å; K220-E224 IonicContact NZ-OE1 2.84Å; K220-E224 PolarHBondContact NZ-OE1 3.01Å; K220-E224 WeakPolarHBondContact O-CB 3.36Å; K220-E224 VanDerWaalsContact O-CG 3.28Å; K220-E224 WeakPolarHBondContact O-CG 3.4Å; K220-E224 PolarHBondContact O-N 3.42Å; E224-Y329 HydrophobicContact CG-CD1 3.71Å; E224-Y329 HydrophobicContact CG-CE1 3.86Å; E224-Y329 HydrophobicContact CG-CG 4.3Å
225	N	95.5	Very high	97.8	Very high	90 Å²	90	33.7 Å²	33.7	48%	0.481	16%	0.16	S	C	.	.			trans	-148.1	139	-179.5	-162.3	-28.7	0	0	0	111.2	S227 N228	N225-S227 VanDerWaalsContact C-N 3.28Å; N225-S227 VanDerWaalsContact CG-OG 3.29Å; N225-S227 PolarHBondContact O-N 2.83Å; N225-S227 PolarHBondContact OD1-N 3.34Å; N225-S227 PolarHBondContact OD1-OG 2.84Å; N225-N228 WeakPolarHBondContact O-CB 3.44Å; N225-N228 PolarHBondContact O-N 2.87Å
226	R	94.5	Very high	97.8	Very high	205 Å²	205	33.7 Å²	33.7	77%	0.774	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-62.9	-34	177.6	-168.8	174.7	-175.2	-177.1	0.8	112.4	N228 Q229	R226-N228 PolarHBondContact O-N 2.86Å; R226-Q229 WeakPolarHBondContact O-CB 3.48Å; R226-Q229 PolarHBondContact O-N 3.46Å
227	S	96.4	Very high	97.8	Very high	46 Å²	46	33.7 Å²	33.7	32%	0.322	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-64.5	-24.8	178	60.3	0	0	0	0	113	K198 N225 Q229 E230	K198-S227 PolarHBondContact NZ-O 2.84Å; N225-S227 VanDerWaalsContact C-N 3.28Å; N225-S227 VanDerWaalsContact CG-OG 3.29Å; N225-S227 PolarHBondContact O-N 2.83Å; N225-S227 PolarHBondContact OD1-N 3.34Å; N225-S227 PolarHBondContact OD1-OG 2.84Å; S227-Q229 PolarHBondContact O-N 2.88Å; S227-E230 WeakPolarHBondContact O-CB 3.5Å; S227-E230 WeakPolarHBondContact O-CG 3.5Å; S227-E230 PolarHBondContact O-N 2.94Å
228	N	97.8	Very high	97.8	Very high	34 Å²	34	33.6 Å²	33.6	18%	0.182	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-64.5	-23.7	175.4	-67.5	-16.3	0	0	0	111.9	F221 N225 R226	F221-N228 HydrophobicContact CD1-CB 4.23Å; F221-N228 HydrophobicContact CD2-CB 4.36Å; F221-N228 HydrophobicContact CE1-CB 3.76Å; F221-N228 HydrophobicContact CE2-CB 3.88Å; F221-N228 WeakPolarHBondContact CE2-ND2 3.35Å; F221-N228 HydrophobicContact CZ-CB 3.57Å; F221-N228 WeakPolarHBondContact O-CB 3.42Å; F221-N228 PolarHBondContact O-ND2 3.4Å; N225-N228 WeakPolarHBondContact O-CB 3.44Å; N225-N228 PolarHBondContact O-N 2.87Å; R226-N228 PolarHBondContact O-N 2.86Å
229	Q	97.9	Very high	97.7	Very high	14 Å²	14	33.6 Å²	33.6	7%	0.065	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-88.9	-6.4	-179.1	-52	-178.4	45.3	0	0	113.3	L222 R226 S227 Q231 V232 N332 S334 V335	L222-Q229 HydrophobicContact CB-CG 4.21Å; L222-Q229 HydrophobicContact CD2-CG 4.02Å; L222-Q229 WeakPolarHBondContact O-CG 3.47Å; L222-Q229 PolarHBondContact O-NE2 2.86Å; R226-Q229 WeakPolarHBondContact O-CB 3.48Å; R226-Q229 PolarHBondContact O-N 3.46Å; S227-Q229 PolarHBondContact O-N 2.88Å; Q229-Q231 PolarHBondContact O-N 3.38Å; Q229-V232 WeakPolarHBondContact O-CB 3.16Å; Q229-V232 PolarHBondContact O-N 2.67Å; Q229-V232 VanDerWaalsContact O-N 3.11Å; Q229-N332 PolarHBondContact NE2-O 3.44Å; Q229-S334 PolarHBondContact OE1-OG 2.79Å; Q229-V335 HydrophobicContact CB-CG1 4.15Å
230	E	96.3	Very high	97.5	Very high	120 Å²	120	33.6 Å²	33.6	56%	0.561	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	137.3	176.9	-68.9	170.4	-168.2	0	0	110.9	K198 S227 V232	K198-E230 WeakPolarHBondContact CE-O 3.36Å; K198-E230 PolarHBondContact NZ-O 3.36Å; S227-E230 WeakPolarHBondContact O-CB 3.5Å; S227-E230 WeakPolarHBondContact O-CG 3.5Å; S227-E230 PolarHBondContact O-N 2.94Å; E230-V232 PolarHBondContact O-N 2.82Å; E230-V232 VanDerWaalsContact O-N 3.12Å
231	Q	96.1	Very high	97.3	Very high	69 Å²	69	33.6 Å²	33.6	32%	0.322	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	6.1	-175.8	-51.1	171.7	9.3	0	0	114.6	T204 Q205 L206 Q229	T204-Q231 PolarHBondContact O-OE1 3.4Å; Q205-Q231 PolarHBondContact OE1-O 2.78Å; L206-Q231 PolarHBondContact N-O 3.38Å; Q229-Q231 PolarHBondContact O-N 3.38Å
232	V	98.5	Very high	97.1	Very high	12 Å²	12	33.2 Å²	33.2	7%	0.073	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	119.9	177.5	179.8	0	0	0	0	109.6	L206 V208 L222 Q229 E230 C234 V335	L206-V232 HydrophobicContact CB-CG2 4.1Å; L206-V232 HydrophobicContact CD1-CG2 4.38Å; L206-V232 CarbonylContact O-C 3.55Å; L206-V232 WeakPolarHBondContact O-CA 3.26Å; V208-V232 HydrophobicContact CG2-CG1 3.82Å; V208-V232 HydrophobicContact CG2-CG2 4.18Å; L222-V232 HydrophobicContact CD2-CG1 4.49Å; L222-V232 HydrophobicContact CD2-CG2 4.17Å; Q229-V232 WeakPolarHBondContact O-CB 3.16Å; Q229-V232 PolarHBondContact O-N 2.67Å; Q229-V232 VanDerWaalsContact O-N 3.11Å; E230-V232 PolarHBondContact O-N 2.82Å; E230-V232 VanDerWaalsContact O-N 3.12Å; V232-C234 WeakPolarHBondContact CG1-O 3.42Å; V232-V335 HydrophobicContact CB-CG1 4.19Å; V232-V335 HydrophobicContact CG1-CB 4.44Å; V232-V335 HydrophobicContact CG1-CG1 4.3Å; V232-V335 HydrophobicContact CG1-CG2 4.03Å; V232-V335 VanDerWaalsContact O-CG1 3.29Å; V232-V335 WeakPolarHBondContact O-CG1 3.46Å
233	L	98.4	Very high	97	Very high	21 Å²	21	33.4 Å²	33.4	11%	0.11	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-43.6	176.6	-63.2	176	0	0	0	111.8	V131 Q205 L206 V207 P336 I404 C405 E408	V131-L233 HydrophobicContact CG1-CD1 4.21Å; Q205-L233 HydrophobicContact CB-CD1 3.61Å; Q205-L233 HydrophobicContact CB-CD2 4.08Å; Q205-L233 HydrophobicContact CB-CG 3.74Å; Q205-L233 HydrophobicContact CG-CD1 4.36Å; Q205-L233 HydrophobicContact CG-CD2 4.17Å; Q205-L233 HydrophobicContact CG-CG 4.38Å; L206-L233 PolarHBondContact O-N 2.94Å; V207-L233 HydrophobicContact CG2-CB 4.49Å; V207-L233 HydrophobicContact CG2-CD1 4.39Å; L233-P336 VanDerWaalsContact O-CD 3.31Å; L233-P336 WeakPolarHBondContact O-CD 3.44Å; L233-I404 HydrophobicContact CB-CG2 3.91Å; L233-C405 VanDerWaalsContact CD1-SG 3.6Å; L233-E408 HydrophobicContact CD2-CG 4.13Å
234	C	98.8	Very high	96.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	167.7	178	60.3	0	0	0	0	111.8	V208 V232 P336 Y400 I404	V208-C234 PolarHBondContact N-O 2.86Å; V232-C234 WeakPolarHBondContact CG1-O 3.42Å; C234-P336 CarbonylContact C-O 3.59Å; C234-P336 WeakPolarHBondContact CA-O 3.45Å; C234-P336 HydrophobicContact CB-CB 4Å; C234-P336 VanDerWaalsContact CB-O 3.29Å; C234-P336 WeakPolarHBondContact CB-O 3.19Å; C234-Y400 HydrophobicContact CB-CE1 4.16Å; C234-I404 HydrophobicContact CB-CD1 4.48Å; C234-I404 HydrophobicContact CB-CG1 4.08Å; C234-I404 HydrophobicContact CB-CG2 4.09Å
235	C	98.8	Very high	96.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	137	171.2	-177.8	0	0	0	0	110.1	V208 L222 P336 L337 L338	V208-C235 HydrophobicContact CB-CB 4.13Å; V208-C235 CarbonylContact O-C 3.53Å; V208-C235 VanDerWaalsContact O-CA 3.26Å; V208-C235 WeakPolarHBondContact O-CA 3.35Å; L222-C235 HydrophobicContact CD1-CB 3.51Å; C235-P336 PolarHBondContact N-O 2.93Å; C235-L337 HydrophobicContact CB-CD1 3.68Å; C235-L337 CarbonylContact O-C 3.55Å; C235-L337 WeakPolarHBondContact O-CA 3.17Å; C235-L338 PolarHBondContact O-N 3.17Å
236	I	98.9	Very high	96.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.7	173.6	-53.4	89.2	0	0	0	108.8	V207 V208 V209 G210 V238 L338 V340 I397 Y400	V207-I236 HydrophobicContact CG1-CD1 3.78Å; V208-I236 PolarHBondContact O-N 2.86Å; V209-I236 WeakPolarHBondContact CA-O 3.23Å; G210-I236 PolarHBondContact N-O 2.75Å; I236-V238 HydrophobicContact CG2-CG2 4.19Å; I236-L338 CarbonylContact C-O 3.56Å; I236-L338 WeakPolarHBondContact CA-O 3.45Å; I236-L338 HydrophobicContact CG1-CB 4.14Å; I236-L338 HydrophobicContact CG1-CD2 4.42Å; I236-L338 HydrophobicContact CG2-CB 4.2Å; I236-L338 HydrophobicContact CG2-CD2 3.98Å; I236-L338 HydrophobicContact CG2-CG 4.24Å; I236-V340 HydrophobicContact CG2-CG2 4.5Å; I236-I397 HydrophobicContact CB-CG2 4.47Å; I236-I397 HydrophobicContact CD1-CG2 4.4Å; I236-I397 HydrophobicContact CG1-CG2 4.49Å; I236-I397 HydrophobicContact CG2-CG1 3.92Å; I236-Y400 HydrophobicContact CD1-CD1 4.17Å; I236-Y400 HydrophobicContact CG1-CD1 3.84Å; I236-Y400 HydrophobicContact CG1-CE1 4.24Å
237	S	98.4	Very high	96.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.9	176.5	-179.1	0	0	0	0	110.6	G210 G215 Q240 L338 V340	G210-S237 WeakPolarHBondContact O-CA 3.21Å; G215-S237 VanDerWaalsContact CA-OG 3.3Å; G215-S237 WeakPolarHBondContact CA-OG 3.39Å; S237-Q240 WeakPolarHBondContact OG-CB 3.31Å; S237-Q240 PolarHBondContact OG-OE1 3.11Å; S237-L338 PolarHBondContact N-O 3.25Å; S237-V340 PolarHBondContact O-N 3.07Å
238	V	98.3	Very high	96.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.9	-173.7	-176.9	0	0	0	0	110.8	G210 F211 S212 I236 Q240 V340 M377 M393 I397	G210-V238 PolarHBondContact O-N 2.86Å; F211-V238 HydrophobicContact CD1-CB 3.99Å; F211-V238 HydrophobicContact CD1-CG1 4.46Å; F211-V238 HydrophobicContact CD1-CG2 4.31Å; F211-V238 HydrophobicContact CE1-CB 4.45Å; F211-V238 HydrophobicContact CE1-CG2 4.33Å; S212-V238 PolarHBondContact N-O 2.88Å; I236-V238 HydrophobicContact CG2-CG2 4.19Å; V238-Q240 VanDerWaalsContact C-N 3.26Å; V238-Q240 PolarHBondContact O-N 3.03Å; V238-V340 CarbonylContact C-O 3.52Å; V238-V340 WeakPolarHBondContact CA-O 3.47Å; V238-V340 HydrophobicContact CG2-CB 4.26Å; V238-M377 HydrophobicContact CG1-SD 4.29Å; V238-M393 HydrophobicContact CG1-SD 4.27Å; V238-I397 HydrophobicContact CG2-CD1 4.02Å; V238-I397 HydrophobicContact CG2-CG1 4.26Å
239	C	97	Very high	95.9	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	55.2	34.7	177.3	-60.8	0	0	0	0	114.6	V340 H376 M377 F379	C239-V340 PolarHBondContact N-O 3.1Å; C239-H376 PolarHBondContact O-CE1 2.9Å; C239-H376 VanDerWaalsContact O-CE1 3.26Å; C239-M377 HydrophobicContact CB-CG 4.19Å; C239-M377 HydrophobicContact CB-SD 3.95Å; C239-M377 PolarHBondContact SG-N 2.75Å; C239-M377 VanDerWaalsContact SG-N 3.38Å; C239-F379 WeakPolarHBondContact SG-CE2 3.35Å
240	Q	94.6	Very high	95.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.13	C	C	.	.			trans	-80.7	148.5	-177.2	-174.8	-175.3	-66.7	0	0	112.3	G215 N216 C219 S237 V238 Y242 C326 N341	G215-Q240 VanDerWaalsContact CA-OE1 3.24Å; G215-Q240 PolarHBondContact O-OE1 2.82Å; N216-Q240 HydrophobicContact CB-CG 4.3Å; C219-Q240 PolarHBondContact SG-OE1 2.97Å; C219-Q240 VanDerWaalsContact SG-OE1 3.39Å; S237-Q240 WeakPolarHBondContact OG-CB 3.31Å; S237-Q240 PolarHBondContact OG-OE1 3.11Å; V238-Q240 VanDerWaalsContact C-N 3.26Å; V238-Q240 PolarHBondContact O-N 3.03Å; Q240-Y242 HydrophobicContact CB-CE1 4.43Å; Q240-Y242 HydrophobicContact CB-CE2 4.29Å; Q240-Y242 HydrophobicContact CG-CD1 4.38Å; Q240-Y242 HydrophobicContact CG-CE1 4.45Å; Q240-Y242 HydrophobicContact CG-CG 4.38Å; Q240-Y242 WeakPolarHBondContact O-CD2 3.41Å; Q240-Y242 WeakPolarHBondContact O-CE2 3.39Å; Q240-C326 PolarHBondContact NE2-SG 2.89Å; Q240-N341 PolarHBondContact O-ND2 3.48Å
241	G	93.4	Very high	94.9	Very high	12 Å²	12	22.5 Å²	22.5	12%	0.124	11%	0.11	C	C	.	.			trans	-93.8	-11.7	174.6	0	0	0	0	0	116.3	S243	G241-S243 PolarHBondContact O-N 3.46Å
242	Y	95.9	Very high	94.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	63.6	-38	173.5	-52.3	-91.3	0	0	0	117.1	Q240 V327 L339 N341 I355 P356	Q240-Y242 HydrophobicContact CB-CE1 4.43Å; Q240-Y242 HydrophobicContact CB-CE2 4.29Å; Q240-Y242 HydrophobicContact CG-CD1 4.38Å; Q240-Y242 HydrophobicContact CG-CE1 4.45Å; Q240-Y242 HydrophobicContact CG-CG 4.38Å; Q240-Y242 WeakPolarHBondContact O-CD2 3.41Å; Q240-Y242 WeakPolarHBondContact O-CE2 3.39Å; Y242-V327 PolarHBondContact O-N 2.9Å; Y242-L339 HydrophobicContact CE1-CD1 3.97Å; Y242-L339 HydrophobicContact CE1-CD2 4.02Å; Y242-L339 HydrophobicContact CE1-CG 4.44Å; Y242-N341 PolarHBondContact OH-OD1 2.88Å; Y242-I355 HydrophobicContact CD1-CG2 4.15Å; Y242-I355 HydrophobicContact CG-CB 4.23Å; Y242-I355 HydrophobicContact CG-CG2 4.06Å; Y242-P356 HydrophobicContact CD2-CG 4.37Å; Y242-P356 HydrophobicContact CE1-CB 3.97Å; Y242-P356 HydrophobicContact CE1-CG 4.25Å; Y242-P356 HydrophobicContact CE2-CB 4.24Å; Y242-P356 HydrophobicContact CE2-CG 3.65Å
243	S	96.6	Very high	93.7	Very high	4 Å²	4	26.7 Å²	26.7	3%	0.028	13%	0.131	C	C	.	.			trans	-139.2	108	-179.9	176.1	0	0	0	0	110.1	G241 L245 R246 A247 S325	G241-S243 PolarHBondContact O-N 3.46Å; S243-L245 PolarHBondContact O-N 3.24Å; S243-R246 PolarHBondContact O-N 2.81Å; S243-R246 WeakPolarHBondContact OG-CG 3.19Å; S243-R246 PolarHBondContact OG-N 2.95Å; S243-A247 WeakPolarHBondContact O-CB 3.24Å; S243-A247 PolarHBondContact O-N 3.19Å; S243-S325 WeakPolarHBondContact CA-OG 3.33Å
244	A	94.7	Very high	92.8	Very high	7 Å²	7	34.2 Å²	34.2	6%	0.058	16%	0.158	C	C	.	.	H	α-helix	trans	-61.4	-36.1	173.3	0	0	0	0	0	111.4	Y184 R246 A247 Q248 Y321 S325	Y184-A244 HydrophobicContact CD1-CB 3.67Å; Y184-A244 HydrophobicContact CE1-CB 3.59Å; Y184-A244 HydrophobicContact CG-CB 4.29Å; A244-R246 PolarHBondContact O-N 3.12Å; A244-A247 PolarHBondContact O-N 3.24Å; A244-Q248 PolarHBondContact O-N 2.92Å; A244-Y321 HydrophobicContact CB-CD1 3.54Å; A244-Y321 HydrophobicContact CB-CE1 4.17Å; A244-Y321 HydrophobicContact CB-CG 3.82Å; A244-S325 PolarHBondContact N-OG 3.34Å
245	L	94.4	Very high	92.1	Very high	28 Å²	28	37.6 Å²	37.6	15%	0.147	18%	0.176	C	C	.	.	H	α-helix	trans	-63.2	-43	-179.1	-171.5	75.5	0	0	0	111.6	S243 Q248 R318 E322	S243-L245 PolarHBondContact O-N 3.24Å; L245-Q248 VanDerWaalsContact O-CG 3.28Å; L245-Q248 WeakPolarHBondContact O-CG 3.47Å; L245-Q248 PolarHBondContact O-NE2 2.99Å; L245-R318 HydrophobicContact CD1-CB 4.31Å; L245-R318 HydrophobicContact CD1-CG 3.82Å; L245-E322 WeakPolarHBondContact CD2-OE2 3.28Å
246	R	94.2	Very high	91.3	Very high	93 Å²	93	43.3 Å²	43.3	35%	0.351	20%	0.203	S	C	.	.	H	α-helix	trans	-75.5	-34.6	175.5	-65.1	175.7	64.1	-170.2	-6	111.5	S243 A244 Q248 S351 L352	S243-R246 PolarHBondContact O-N 2.81Å; S243-R246 WeakPolarHBondContact OG-CG 3.19Å; S243-R246 PolarHBondContact OG-N 2.95Å; A244-R246 PolarHBondContact O-N 3.12Å; R246-Q248 PolarHBondContact O-N 2.73Å; R246-S351 PolarHBondContact NH2-O 3.41Å; R246-L352 HydrophobicContact CB-CD2 3.65Å
247	A	92.6	Very high	90.7	Very high	9 Å²	9	46.2 Å²	46.2	7%	0.074	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-40.2	178.8	0	0	0	0	0	111.6	S243 A244 E249 T250 F251 L352	S243-A247 WeakPolarHBondContact O-CB 3.24Å; S243-A247 PolarHBondContact O-N 3.19Å; A244-A247 PolarHBondContact O-N 3.24Å; A247-E249 PolarHBondContact O-N 2.97Å; A247-E249 VanDerWaalsContact O-N 3.11Å; A247-T250 WeakPolarHBondContact CA-OG1 3.36Å; A247-T250 CarbonylContact O-C 3.54Å; A247-T250 WeakPolarHBondContact O-CA 3.31Å; A247-T250 PolarHBondContact O-N 2.79Å; A247-T250 PolarHBondContact O-OG1 2.97Å; A247-F251 HydrophobicContact CB-CD2 4.04Å; A247-F251 HydrophobicContact CB-CE2 4.05Å; A247-F251 VanDerWaalsContact O-CD2 3.31Å; A247-F251 WeakPolarHBondContact O-CD2 3.4Å; A247-F251 PolarHBondContact O-N 3.33Å; A247-L352 HydrophobicContact CB-CD1 4Å
248	Q	91.3	Very high	90.3	Very high	42 Å²	42	46.6 Å²	46.6	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-53.5	-39.3	-176.1	87.1	-172.1	-54.6	0	0	113	A244 L245 R246 T250 F251 M301 Y321	A244-Q248 PolarHBondContact O-N 2.92Å; L245-Q248 VanDerWaalsContact O-CG 3.28Å; L245-Q248 WeakPolarHBondContact O-CG 3.47Å; L245-Q248 PolarHBondContact O-NE2 2.99Å; R246-Q248 PolarHBondContact O-N 2.73Å; Q248-T250 VanDerWaalsContact C-N 3.33Å; Q248-F251 PolarHBondContact O-N 3.44Å; Q248-M301 HydrophobicContact CB-CG 3.91Å; Q248-M301 HydrophobicContact CB-SD 4.43Å; Q248-Y321 HydrophobicContact CB-CD2 4.09Å; Q248-Y321 HydrophobicContact CB-CE2 3.64Å; Q248-Y321 HydrophobicContact CG-CD2 4.47Å; Q248-Y321 HydrophobicContact CG-CE2 4.35Å
249	E	88.9	Confident	89.9	Confident	137 Å²	137	51.9 Å²	51.9	64%	0.64	24%	0.244	S	C	*	.	H	α-helix	trans	-66.9	-39.5	179.7	-65	178	178.4	0	0	110.5	A247	A247-E249 PolarHBondContact O-N 2.97Å; A247-E249 VanDerWaalsContact O-N 3.11Å
250	T	88.3	Confident	89.6	Confident	6 Å²	6	56.6 Å²	56.6	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-74.2	-35.4	-179.8	68.3	0	0	0	0	111.9	A247 Q248 L252 Q253 R258 H349	A247-T250 WeakPolarHBondContact CA-OG1 3.36Å; A247-T250 CarbonylContact O-C 3.54Å; A247-T250 WeakPolarHBondContact O-CA 3.31Å; A247-T250 PolarHBondContact O-N 2.79Å; A247-T250 PolarHBondContact O-OG1 2.97Å; Q248-T250 VanDerWaalsContact C-N 3.33Å; T250-L252 PolarHBondContact O-N 3.08Å; T250-L252 VanDerWaalsContact O-N 3.1Å; T250-Q253 WeakPolarHBondContact O-CB 3.33Å; T250-Q253 PolarHBondContact O-N 2.48Å; T250-Q253 VanDerWaalsContact O-N 3.07Å; T250-R258 VanDerWaalsContact CA-NH1 3.32Å; T250-R258 PolarHBondContact O-NH1 3.41Å; T250-H349 HydrophobicContact CG2-CB 3.81Å
251	F	85.6	Confident	89.4	Confident	33 Å²	33	58.6 Å²	58.6	15%	0.145	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-12	-179.7	-92.2	-103.2	0	0	0	114.3	A247 Q248 N262 L265 M301 L347	A247-F251 HydrophobicContact CB-CD2 4.04Å; A247-F251 HydrophobicContact CB-CE2 4.05Å; A247-F251 VanDerWaalsContact O-CD2 3.31Å; A247-F251 WeakPolarHBondContact O-CD2 3.4Å; A247-F251 PolarHBondContact O-N 3.33Å; Q248-F251 PolarHBondContact O-N 3.44Å; F251-N262 HydrophobicContact CD1-CB 3.96Å; F251-N262 PolarHBondContact O-ND2 3.43Å; F251-N262 VanDerWaalsContact O-ND2 3.16Å; F251-L265 HydrophobicContact CE1-CD1 4.26Å; F251-M301 HydrophobicContact CB-CE 3.95Å; F251-M301 HydrophobicContact CB-SD 4.16Å; F251-L347 HydrophobicContact CZ-CB 4.33Å
252	L	83.2	Confident	89.4	Confident	90 Å²	90	58.1 Å²	58.1	47%	0.471	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-10.7	175.3	-65.9	174.9	0	0	0	113.5	T250 M301	T250-L252 PolarHBondContact O-N 3.08Å; T250-L252 VanDerWaalsContact O-N 3.1Å; L252-M301 HydrophobicContact CD1-CE 4.12Å; L252-M301 HydrophobicContact CD2-CE 3.26Å; L252-M301 HydrophobicContact CG-CE 3.4Å; L252-M301 VanDerWaalsContact CG-CE 3.4Å
253	Q	84.9	Confident	89.3	Confident	79 Å²	79	63.6 Å²	63.6	37%	0.369	30%	0.295	S	S	.	.			trans	-76.8	148	-178.6	-57.9	179	-33.7	0	0	111.1	T250 D255 R258 R259	T250-Q253 WeakPolarHBondContact O-CB 3.33Å; T250-Q253 PolarHBondContact O-N 2.48Å; T250-Q253 VanDerWaalsContact O-N 3.07Å; Q253-D255 WeakPolarHBondContact CB-OD1 3.08Å; Q253-R258 WeakPolarHBondContact O-CB 3.35Å; Q253-R258 VanDerWaalsContact OE1-CZ 3.29Å; Q253-R259 PolarHBondContact O-N 2.88Å; Q253-R259 VanDerWaalsContact O-N 3.17Å
254	W	81.1	Confident	89.1	Confident	179 Å²	179	67 Å²	67	68%	0.678	32%	0.315	S	S	*	.			trans	-87.3	-15.3	-177.6	-77.8	107.5	0	0	0	113.9	C257 R259	W254-C257 PolarHBondContact O-N 3.19Å; W254-R259 HydrophobicContact CD2-CB 4.31Å; W254-R259 HydrophobicContact CE3-CB 4.13Å; W254-R259 HydrophobicContact CZ3-CB 4.36Å; W254-R259 VanDerWaalsContact NE1-NH1 3.19Å
255	D	82.8	Confident	89	Confident	71 Å²	71	68.6 Å²	68.6	38%	0.38	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-67.8	145.4	179.1	69.9	-52.2	0	0	0	110.7	Q253 C257 R258	Q253-D255 WeakPolarHBondContact CB-OD1 3.08Å; D255-C257 PolarHBondContact O-N 3.17Å; D255-C257 VanDerWaalsContact O-N 3.12Å; D255-R258 PolarHBondContact O-N 2.96Å; D255-R258 PolarHBondContact O-NE 2.91Å; D255-R258 IonicContact OD1-CZ 3.9Å; D255-R258 IonicContact OD1-NE 2.97Å; D255-R258 PolarHBondContact OD1-NE 2.98Å; D255-R258 IonicContact OD1-NH1 3.39Å; D255-R258 IonicContact OD1-NH2 3.52Å; D255-R258 PolarHBondContact OD1-NH2 3.19Å; D255-R258 IonicContact OD2-CZ 4Å; D255-R258 IonicContact OD2-NE 3.62Å; D255-R258 IonicContact OD2-NH2 3.87Å; D255-R258 PolarHBondContact OD2-NH2 3.21Å
256	Q	82.1	Confident	89	Confident	119 Å²	119	67.3 Å²	67.3	56%	0.556	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	50.6	34.1	-171.7	-53.4	-59.3	-47.2	0	0	112.6	H82 R258	H82-Q256 PolarHBondContact CE1-O 3.23Å; H82-Q256 PolarHBondContact NE2-OE1 3.26Å; Q256-R258 PolarHBondContact O-N 2.84Å
257	C	86.5	Confident	89	Confident	62 Å²	62	64.1 Å²	64.1	42%	0.419	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	51.8	23.3	178.8	-58.7	0	0	0	0	114.7	W254 D255 R259 L260 Y261	W254-C257 PolarHBondContact O-N 3.19Å; D255-C257 PolarHBondContact O-N 3.17Å; D255-C257 VanDerWaalsContact O-N 3.12Å; C257-R259 VanDerWaalsContact C-N 3.3Å; C257-R259 PolarHBondContact O-N 2.76Å; C257-L260 HydrophobicContact CB-CB 4.33Å; C257-L260 WeakPolarHBondContact O-CA 3.39Å; C257-L260 VanDerWaalsContact O-CB 3.29Å; C257-L260 WeakPolarHBondContact O-CB 3.44Å; C257-L260 PolarHBondContact O-N 3.2Å; C257-Y261 HydrophobicContact CB-CE2 4.32Å; C257-Y261 WeakPolarHBondContact O-CD2 3.41Å; C257-Y261 PolarHBondContact O-N 2.91Å
258	R	89.6	Confident	89	Confident	7 Å²	7	68 Å²	68	3%	0.026	33%	0.332	C	S	.	.	H	α-helix	trans	-56.5	-42.7	-173.2	-91	-178.6	-71.8	145	-21.8	113	T250 Q253 D255 Q256 L260 Y261 N262 P346 H349	T250-R258 VanDerWaalsContact CA-NH1 3.32Å; T250-R258 PolarHBondContact O-NH1 3.41Å; Q253-R258 WeakPolarHBondContact O-CB 3.35Å; Q253-R258 VanDerWaalsContact OE1-CZ 3.29Å; D255-R258 PolarHBondContact O-N 2.96Å; D255-R258 PolarHBondContact O-NE 2.91Å; D255-R258 IonicContact OD1-CZ 3.9Å; D255-R258 IonicContact OD1-NE 2.97Å; D255-R258 PolarHBondContact OD1-NE 2.98Å; D255-R258 IonicContact OD1-NH1 3.39Å; D255-R258 IonicContact OD1-NH2 3.52Å; D255-R258 PolarHBondContact OD1-NH2 3.19Å; D255-R258 IonicContact OD2-CZ 4Å; D255-R258 IonicContact OD2-NE 3.62Å; D255-R258 IonicContact OD2-NH2 3.87Å; D255-R258 PolarHBondContact OD2-NH2 3.21Å; Q256-R258 PolarHBondContact O-N 2.84Å; R258-L260 VanDerWaalsContact C-N 3.27Å; R258-L260 PolarHBondContact O-N 3.38Å; R258-Y261 PolarHBondContact O-N 2.82Å; R258-N262 PolarHBondContact O-N 2.8Å; R258-P346 WeakPolarHBondContact CG-O 3.2Å; R258-H349 VanDerWaalsContact CZ-CD2 3.43Å; R258-H349 PolarHBondContact NH2-CD2 3.23Å; R258-H349 PolarHBondContact NH2-NE2 3.11Å
259	R	90.2	Very high	89.1	Confident	112 Å²	112	66.5 Å²	66.5	42%	0.423	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-32.4	175.1	-169.2	171.4	172.7	175.4	-0.4	113.6	Q253 W254 C257 F263	Q253-R259 PolarHBondContact O-N 2.88Å; Q253-R259 VanDerWaalsContact O-N 3.17Å; W254-R259 HydrophobicContact CD2-CB 4.31Å; W254-R259 HydrophobicContact CE3-CB 4.13Å; W254-R259 HydrophobicContact CZ3-CB 4.36Å; W254-R259 VanDerWaalsContact NE1-NH1 3.19Å; C257-R259 VanDerWaalsContact C-N 3.3Å; C257-R259 PolarHBondContact O-N 2.76Å; R259-F263 WeakPolarHBondContact O-CB 3.42Å; R259-F263 PolarHBondContact O-N 3.27Å
260	L	90.6	Very high	89.3	Confident	98 Å²	98	62 Å²	62	51%	0.513	30%	0.303	S	S	.	.	H	α-helix	trans	-68.8	-44.7	174.1	177.7	63.6	0	0	0	110.9	C257 R258 N262 F263 V264	C257-L260 HydrophobicContact CB-CB 4.33Å; C257-L260 WeakPolarHBondContact O-CA 3.39Å; C257-L260 VanDerWaalsContact O-CB 3.29Å; C257-L260 WeakPolarHBondContact O-CB 3.44Å; C257-L260 PolarHBondContact O-N 3.2Å; R258-L260 VanDerWaalsContact C-N 3.27Å; R258-L260 PolarHBondContact O-N 3.38Å; L260-N262 VanDerWaalsContact C-N 3.33Å; L260-N262 PolarHBondContact O-N 3.32Å; L260-F263 WeakPolarHBondContact O-CB 3.39Å; L260-F263 PolarHBondContact O-N 3.03Å; L260-V264 WeakPolarHBondContact O-CG2 3.3Å; L260-V264 PolarHBondContact O-N 3.36Å
261	Y	91.6	Very high	89.5	Confident	43 Å²	43	68.9 Å²	68.9	17%	0.169	33%	0.332	C	S	.	.	H	α-helix	trans	-60.7	-43.5	174.1	-73.8	-76.6	0	0	0	111.7	H82 T85 C257 R258 F263 V264 L265 P346 L347	H82-Y261 AromaticContact CE1-CE2 3.75Å; H82-Y261 AromaticContact ND1-CE2 3.44Å; H82-Y261 WeakPolarHBondContact ND1-CE2 3.37Å; H82-Y261 AromaticContact ND1-CZ 3.66Å; H82-Y261 PolarHBondContact ND1-OH 3.25Å; H82-Y261 PolarHBondContact O-OH 2.92Å; T85-Y261 HydrophobicContact CG2-CD1 4.41Å; T85-Y261 HydrophobicContact CG2-CE1 3.7Å; C257-Y261 HydrophobicContact CB-CE2 4.32Å; C257-Y261 WeakPolarHBondContact O-CD2 3.41Å; C257-Y261 PolarHBondContact O-N 2.91Å; R258-Y261 PolarHBondContact O-N 2.82Å; Y261-F263 VanDerWaalsContact C-N 3.3Å; Y261-F263 PolarHBondContact O-N 3.25Å; Y261-V264 PolarHBondContact O-N 3.09Å; Y261-L265 WeakPolarHBondContact O-CB 3.5Å; Y261-L265 WeakPolarHBondContact O-CG 3.47Å; Y261-L265 PolarHBondContact O-N 3.05Å; Y261-P346 HydrophobicContact CD2-CB 4.19Å; Y261-P346 HydrophobicContact CE2-CB 3.63Å; Y261-P346 HydrophobicContact CE2-CG 3.91Å; Y261-L347 HydrophobicContact CD1-CD1 3.78Å; Y261-L347 HydrophobicContact CD2-CD1 4.26Å; Y261-L347 HydrophobicContact CE1-CD1 4.23Å; Y261-L347 HydrophobicContact CG-CD1 3.79Å
262	N	92.8	Very high	89.8	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.011	33%	0.334	C	S	.	.	H	α-helix	trans	-56.3	-45.3	174.5	-171.2	8	0	0	0	111.6	F251 R258 L260 L265 A266 L300 M301	F251-N262 HydrophobicContact CD1-CB 3.96Å; F251-N262 PolarHBondContact O-ND2 3.43Å; F251-N262 VanDerWaalsContact O-ND2 3.16Å; R258-N262 PolarHBondContact O-N 2.8Å; L260-N262 VanDerWaalsContact C-N 3.33Å; L260-N262 PolarHBondContact O-N 3.32Å; N262-L265 PolarHBondContact O-N 3.4Å; N262-A266 WeakPolarHBondContact O-CB 3.35Å; N262-A266 PolarHBondContact O-N 2.93Å; N262-L300 PolarHBondContact OD1-N 2.61Å; N262-M301 WeakPolarHBondContact ND2-CE 3.46Å
263	F	93	Very high	90.2	Very high	115 Å²	115	64.6 Å²	64.6	50%	0.504	31%	0.311	S	S	.	.	H	α-helix	trans	-61.3	-44.3	176.4	178.9	-96.9	0	0	0	112.5	R259 L260 Y261 A266 G267 T298	R259-F263 WeakPolarHBondContact O-CB 3.42Å; R259-F263 PolarHBondContact O-N 3.27Å; L260-F263 WeakPolarHBondContact O-CB 3.39Å; L260-F263 PolarHBondContact O-N 3.03Å; Y261-F263 VanDerWaalsContact C-N 3.3Å; Y261-F263 PolarHBondContact O-N 3.25Å; F263-A266 PolarHBondContact O-N 3.31Å; F263-G267 PolarHBondContact O-N 2.86Å; F263-T298 HydrophobicContact CD2-CG2 4.5Å; F263-T298 WeakPolarHBondContact CD2-O 3.39Å; F263-T298 HydrophobicContact CE2-CG2 4.17Å
264	V	92.3	Very high	90.4	Very high	74 Å²	74	63.4 Å²	63.4	45%	0.448	31%	0.307	S	S	.	.	H	α-helix	trans	-64.7	-46.2	177.7	172.9	0	0	0	0	111.3	L260 Y261 A266 G267 N268	L260-V264 WeakPolarHBondContact O-CG2 3.3Å; L260-V264 PolarHBondContact O-N 3.36Å; Y261-V264 PolarHBondContact O-N 3.09Å; V264-A266 VanDerWaalsContact C-N 3.34Å; V264-A266 PolarHBondContact O-N 2.87Å; V264-G267 PolarHBondContact O-N 3.35Å; V264-N268 PolarHBondContact O-N 2.73Å
265	L	92.6	Very high	90.9	Very high	41 Å²	41	58.7 Å²	58.7	22%	0.215	30%	0.302	C	S	.	.	H	α-helix	trans	-61.7	-43.1	176.8	-70.9	173.6	0	0	0	111.5	I139 F251 Y261 N262 G267 N268 M269 L300 L347	I139-L265 HydrophobicContact CG2-CD2 4.43Å; F251-L265 HydrophobicContact CE1-CD1 4.26Å; Y261-L265 WeakPolarHBondContact O-CB 3.5Å; Y261-L265 WeakPolarHBondContact O-CG 3.47Å; Y261-L265 PolarHBondContact O-N 3.05Å; N262-L265 PolarHBondContact O-N 3.4Å; L265-G267 VanDerWaalsContact C-N 3.31Å; L265-G267 PolarHBondContact O-N 3.31Å; L265-N268 PolarHBondContact O-N 3.18Å; L265-M269 WeakPolarHBondContact O-CB 3.5Å; L265-M269 PolarHBondContact O-N 3.24Å; L265-L300 HydrophobicContact CB-CD1 3.91Å; L265-L300 HydrophobicContact CB-CD2 4.23Å; L265-L300 HydrophobicContact CB-CG 4.15Å; L265-L300 HydrophobicContact CD1-CD1 4.05Å; L265-L347 HydrophobicContact CD1-CD2 3.79Å
266	A	93.9	Very high	91.1	Very high	1 Å²	1	56 Å²	56	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-60.7	-40.9	174.5	0	0	0	0	0	111.6	N262 F263 V264 N268 M269 K270 S299 I303	N262-A266 WeakPolarHBondContact O-CB 3.35Å; N262-A266 PolarHBondContact O-N 2.93Å; F263-A266 PolarHBondContact O-N 3.31Å; V264-A266 VanDerWaalsContact C-N 3.34Å; V264-A266 PolarHBondContact O-N 2.87Å; A266-N268 PolarHBondContact O-N 3.14Å; A266-M269 PolarHBondContact O-N 2.99Å; A266-K270 WeakPolarHBondContact O-CB 3.17Å; A266-K270 PolarHBondContact O-N 2.76Å; A266-S299 VanDerWaalsContact CB-C 3.44Å; A266-I303 HydrophobicContact CB-CD1 3.86Å; A266-I303 WeakPolarHBondContact O-CD1 3.47Å
267	G	94.4	Very high	91.2	Very high	26 Å²	26	58.2 Å²	58.2	27%	0.268	29%	0.29	S	S	.	.	H	α-helix	trans	-60	-44.3	174.3	0	0	0	0	0	113	F263 V264 L265 K271	F263-G267 PolarHBondContact O-N 2.86Å; V264-G267 PolarHBondContact O-N 3.35Å; L265-G267 VanDerWaalsContact C-N 3.31Å; L265-G267 PolarHBondContact O-N 3.31Å; G267-K271 WeakPolarHBondContact O-CG 3.35Å; G267-K271 PolarHBondContact O-N 3.39Å
268	N	92.5	Very high	90.9	Very high	92 Å²	92	57.4 Å²	57.4	49%	0.492	29%	0.293	S	S	.	.	H	α-helix	trans	-66.5	-44	177.2	-69.9	-17	0	0	0	111.8	V264 L265 A266 K271 L272	V264-N268 PolarHBondContact O-N 2.73Å; L265-N268 PolarHBondContact O-N 3.18Å; A266-N268 PolarHBondContact O-N 3.14Å; N268-K271 PolarHBondContact O-N 3.26Å; N268-L272 PolarHBondContact O-N 2.82Å
269	M	93.8	Very high	90.4	Very high	9 Å²	9	58.4 Å²	58.4	4%	0.044	30%	0.301	C	S	.	.	H	α-helix	trans	-65.7	-40.6	178.4	-163.7	58	-113.9	0	0	111.6	M181 F182 L265 A266 K271 L272 I273 L300 I303	M181-M269 HydrophobicContact CE-CE 3.95Å; F182-M269 HydrophobicContact CE1-CE 4.15Å; F182-M269 HydrophobicContact CE1-SD 4.36Å; F182-M269 HydrophobicContact CZ-CE 4.1Å; F182-M269 HydrophobicContact CZ-SD 3.72Å; L265-M269 WeakPolarHBondContact O-CB 3.5Å; L265-M269 PolarHBondContact O-N 3.24Å; A266-M269 PolarHBondContact O-N 2.99Å; M269-K271 PolarHBondContact O-N 3.13Å; M269-L272 HydrophobicContact CE-CB 3.92Å; M269-L272 HydrophobicContact CE-CD2 3.79Å; M269-L272 HydrophobicContact CE-CG 4.11Å; M269-L272 PolarHBondContact O-N 3.26Å; M269-L272 HydrophobicContact SD-CD2 4.37Å; M269-I273 HydrophobicContact CE-CD1 3.92Å; M269-I273 HydrophobicContact CE-CG1 3.51Å; M269-I273 HydrophobicContact CG-CD1 4.13Å; M269-I273 WeakPolarHBondContact O-CG1 3.25Å; M269-I273 PolarHBondContact O-N 2.96Å; M269-L300 HydrophobicContact CB-CD2 4.12Å; M269-I303 HydrophobicContact CB-CD1 4.15Å; M269-I303 HydrophobicContact CG-CG2 4.28Å
270	K	93.5	Very high	89.9	Confident	42 Å²	42	53.1 Å²	53.1	18%	0.183	28%	0.281	C	S	.	.	H	α-helix	trans	-57.6	-49.1	173.1	-177	-170.9	-54.8	-170.6	0	111.6	A266 L272 I273 L274 L294 C295 A297 I303	A266-K270 WeakPolarHBondContact O-CB 3.17Å; A266-K270 PolarHBondContact O-N 2.76Å; K270-L272 VanDerWaalsContact C-N 3.27Å; K270-L272 PolarHBondContact O-N 3.27Å; K270-I273 PolarHBondContact O-N 2.66Å; K270-L274 HydrophobicContact CD-CD1 4.35Å; K270-L274 HydrophobicContact CG-CD1 3.8Å; K270-L274 HydrophobicContact CG-CG 4.37Å; K270-L274 WeakPolarHBondContact O-CB 3.42Å; K270-L274 VanDerWaalsContact O-CG 3.24Å; K270-L274 WeakPolarHBondContact O-CG 3.42Å; K270-L274 PolarHBondContact O-N 2.84Å; K270-L294 HydrophobicContact CB-CD1 4.32Å; K270-L294 WeakPolarHBondContact CE-O 3.43Å; K270-L294 HydrophobicContact CG-CD1 4.08Å; K270-L294 HydrophobicContact CG-CG 4.15Å; K270-C295 PolarHBondContact NZ-O 2.91Å; K270-A297 VanDerWaalsContact CE-O 3.23Å; K270-A297 WeakPolarHBondContact CE-O 3.45Å; K270-A297 PolarHBondContact NZ-O 3.21Å; K270-I303 HydrophobicContact CB-CD1 4.17Å
271	K	92.6	Very high	88.8	Confident	151 Å²	151	51.9 Å²	51.9	66%	0.657	27%	0.274	S	S	*	.	H	α-helix	trans	-57.7	-42.4	177	-74.6	174.3	-177.4	178.8	0	111.6	G267 N268 M269 L274 S275	G267-K271 WeakPolarHBondContact O-CG 3.35Å; G267-K271 PolarHBondContact O-N 3.39Å; N268-K271 PolarHBondContact O-N 3.26Å; M269-K271 PolarHBondContact O-N 3.13Å; K271-L274 PolarHBondContact O-N 3.33Å; K271-S275 PolarHBondContact O-N 2.87Å
272	L	92.1	Very high	87.6	Confident	33 Å²	33	55.3 Å²	55.3	17%	0.173	30%	0.3	C	S	.	.	H	α-helix	trans	-68.8	-39.1	-179.8	-171.1	64.2	0	0	0	112.9	G169 M181 F182 N268 M269 K270 S275 H276	G169-L272 VanDerWaalsContact O-CD1 3.25Å; G169-L272 WeakPolarHBondContact O-CD1 3.26Å; M181-L272 HydrophobicContact CE-CD2 4.22Å; M181-L272 HydrophobicContact CE-CG 3.87Å; F182-L272 HydrophobicContact CE1-CD2 3.86Å; F182-L272 HydrophobicContact CZ-CD2 4.37Å; N268-L272 PolarHBondContact O-N 2.82Å; M269-L272 HydrophobicContact CE-CB 3.92Å; M269-L272 HydrophobicContact CE-CD2 3.79Å; M269-L272 HydrophobicContact CE-CG 4.11Å; M269-L272 PolarHBondContact O-N 3.26Å; M269-L272 HydrophobicContact SD-CD2 4.37Å; K270-L272 VanDerWaalsContact C-N 3.27Å; K270-L272 PolarHBondContact O-N 3.27Å; L272-S275 PolarHBondContact O-OG 3.16Å; L272-H276 PolarHBondContact O-CD2 3.28Å; L272-H276 VanDerWaalsContact O-CD2 3.27Å
273	I	90.6	Very high	86.2	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-66.6	-43.6	174.1	-65.4	159.4	0	0	0	110	M181 M269 K270 S275 H276 R277 L280 L294 I303 I307 M308	M181-I273 HydrophobicContact CE-CG1 4.42Å; M181-I273 HydrophobicContact SD-CB 4.22Å; M181-I273 HydrophobicContact SD-CG1 3.72Å; M181-I273 HydrophobicContact SD-CG2 4.45Å; M269-I273 HydrophobicContact CE-CD1 3.92Å; M269-I273 HydrophobicContact CE-CG1 3.51Å; M269-I273 HydrophobicContact CG-CD1 4.13Å; M269-I273 WeakPolarHBondContact O-CG1 3.25Å; M269-I273 PolarHBondContact O-N 2.96Å; K270-I273 PolarHBondContact O-N 2.66Å; I273-S275 VanDerWaalsContact C-N 3.3Å; I273-S275 PolarHBondContact O-N 2.93Å; I273-H276 PolarHBondContact O-N 2.7Å; I273-R277 PolarHBondContact O-N 3.32Å; I273-L280 HydrophobicContact CG2-CD1 3.65Å; I273-L294 HydrophobicContact CB-CD2 3.9Å; I273-L294 HydrophobicContact CD1-CD1 3.94Å; I273-L294 HydrophobicContact CG2-CD2 3.39Å; I273-I303 HydrophobicContact CD1-CG2 3.44Å; I273-I303 VanDerWaalsContact CD1-CG2 3.44Å; I273-I307 HydrophobicContact CD1-CG2 4.16Å; I273-I307 HydrophobicContact CG2-CG2 4.28Å; I273-M308 HydrophobicContact CD1-SD 4.02Å
274	L	90.2	Very high	84.8	Confident	53 Å²	53	53.7 Å²	53.7	28%	0.277	30%	0.303	S	S	.	.	H	α-helix	trans	-68.1	-26.1	-177.7	-70.8	175.4	0	0	0	113.5	K270 K271 H276 R277 L294	K270-L274 HydrophobicContact CD-CD1 4.35Å; K270-L274 HydrophobicContact CG-CD1 3.8Å; K270-L274 HydrophobicContact CG-CG 4.37Å; K270-L274 WeakPolarHBondContact O-CB 3.42Å; K270-L274 VanDerWaalsContact O-CG 3.24Å; K270-L274 WeakPolarHBondContact O-CG 3.42Å; K270-L274 PolarHBondContact O-N 2.84Å; K271-L274 PolarHBondContact O-N 3.33Å; L274-H276 PolarHBondContact O-N 3.48Å; L274-R277 WeakPolarHBondContact O-CB 3.44Å; L274-R277 WeakPolarHBondContact O-CG 3.45Å; L274-R277 PolarHBondContact O-N 2.87Å; L274-L294 HydrophobicContact CD2-CD2 3.91Å; L274-L294 HydrophobicContact CG-CD2 4.13Å
275	S	90.7	Very high	83.7	Confident	81 Å²	81	57.9 Å²	57.9	57%	0.566	32%	0.323	S	S	*	.	H	α-helix	trans	-63.6	-24.5	172.3	63.3	0	0	0	0	112.3	K271 L272 I273	K271-S275 PolarHBondContact O-N 2.87Å; L272-S275 PolarHBondContact O-OG 3.16Å; I273-S275 VanDerWaalsContact C-N 3.3Å; I273-S275 PolarHBondContact O-N 2.93Å
276	H	88	Confident	83	Confident	14 Å²	14	56.3 Å²	56.3	7%	0.065	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	14.8	178	-62.7	-64.1	0	0	0	113.6	G169 M174 L176 L272 I273 L274 G278 S279 L280	G169-H276 PolarHBondContact O-NE2 3.3Å; M174-H276 PolarHBondContact O-CE1 2.96Å; M174-H276 VanDerWaalsContact O-CE1 3.31Å; L176-H276 HydrophobicContact CB-CB 4.22Å; L176-H276 HydrophobicContact CD2-CB 4.28Å; L272-H276 PolarHBondContact O-CD2 3.28Å; L272-H276 VanDerWaalsContact O-CD2 3.27Å; I273-H276 PolarHBondContact O-N 2.7Å; L274-H276 PolarHBondContact O-N 3.48Å; H276-G278 PolarHBondContact O-N 3.3Å; H276-S279 PolarHBondContact O-N 3.44Å; H276-L280 HydrophobicContact CB-CD1 4.23Å; H276-L280 HydrophobicContact CB-CG 4.21Å; H276-L280 WeakPolarHBondContact O-CG 3.3Å; H276-L280 PolarHBondContact O-N 3Å
277	R	84.1	Confident	82.3	Confident	165 Å²	165	58 Å²	58	62%	0.623	33%	0.332	S	S	*	.	H	α-helix	trans	-51.2	-37.6	-175.2	70.2	-179.5	-174.4	167.6	1.2	113.8	I273 L274 L281	I273-R277 PolarHBondContact O-N 3.32Å; L274-R277 WeakPolarHBondContact O-CB 3.44Å; L274-R277 WeakPolarHBondContact O-CG 3.45Å; L274-R277 PolarHBondContact O-N 2.87Å; R277-L281 VanDerWaalsContact O-CB 3.3Å; R277-L281 WeakPolarHBondContact O-CB 3.47Å; R277-L281 VanDerWaalsContact O-CG 3.22Å; R277-L281 WeakPolarHBondContact O-CG 3.5Å; R277-L281 PolarHBondContact O-N 3.3Å
278	G	79.4	Confident	81.7	Confident	46 Å²	46	62.1 Å²	62.1	47%	0.474	35%	0.348	S	S	.	.	H	α-helix	trans	-64.4	-53.4	-177.8	0	0	0	0	0	111.3	H276 L281 T282	H276-G278 PolarHBondContact O-N 3.3Å; G278-L281 PolarHBondContact O-N 3.13Å; G278-T282 PolarHBondContact O-N 2.83Å; G278-T282 PolarHBondContact O-OG1 3.01Å
279	S	80.4	Confident	81.2	Confident	28 Å²	28	62.1 Å²	62.1	20%	0.196	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-41.3	176.9	175.8	0	0	0	0	112.3	L176 H276 T282 S283	L176-S279 WeakPolarHBondContact O-CB 3.04Å; L176-S279 PolarHBondContact O-OG 2.96Å; H276-S279 PolarHBondContact O-N 3.44Å; S279-T282 WeakPolarHBondContact CA-OG1 3.44Å; S279-T282 PolarHBondContact O-N 2.88Å; S279-T282 PolarHBondContact O-OG1 3.21Å; S279-S283 WeakPolarHBondContact O-CB 3.07Å; S279-S283 PolarHBondContact O-N 3.3Å; S279-S283 PolarHBondContact O-OG 2.92Å
280	L	78.1	Confident	80.8	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-66.5	-42.1	179.9	-68.5	179.9	0	0	0	112.5	L176 M181 I273 H276 T282 S284 F311	L176-L280 HydrophobicContact CD2-CD2 3.48Å; L176-L280 VanDerWaalsContact CD2-CD2 3.48Å; L176-L280 HydrophobicContact CD2-CG 4.11Å; M181-L280 HydrophobicContact SD-CD1 4.21Å; I273-L280 HydrophobicContact CG2-CD1 3.65Å; H276-L280 HydrophobicContact CB-CD1 4.23Å; H276-L280 HydrophobicContact CB-CG 4.21Å; H276-L280 WeakPolarHBondContact O-CG 3.3Å; H276-L280 PolarHBondContact O-N 3Å; L280-T282 VanDerWaalsContact C-N 3.3Å; L280-T282 PolarHBondContact O-N 3.47Å; L280-S284 WeakPolarHBondContact O-CB 3.21Å; L280-S284 PolarHBondContact O-N 3.21Å; L280-S284 PolarHBondContact O-OG 3.22Å; L280-F311 HydrophobicContact CD1-CE1 4.47Å; L280-F311 HydrophobicContact CD1-CZ 3.96Å; L280-F311 HydrophobicContact CD2-CE1 3.61Å; L280-F311 HydrophobicContact CD2-CZ 3.77Å
281	L	68.1	Low	80.4	Confident	73 Å²	73	61.3 Å²	61.3	38%	0.382	35%	0.349	S	S	.	.	H	α-helix	trans	-65.2	-32	177.2	-77.6	171	0	0	0	113.1	R277 G278 L291	R277-L281 VanDerWaalsContact O-CB 3.3Å; R277-L281 WeakPolarHBondContact O-CB 3.47Å; R277-L281 VanDerWaalsContact O-CG 3.22Å; R277-L281 WeakPolarHBondContact O-CG 3.5Å; R277-L281 PolarHBondContact O-N 3.3Å; G278-L281 PolarHBondContact O-N 3.13Å; L281-L291 HydrophobicContact CD1-CD1 3.8Å; L281-L291 HydrophobicContact CD2-CD1 3.53Å; L281-L291 HydrophobicContact CD2-CG 4.25Å; L281-L291 HydrophobicContact CG-CD1 3.73Å
282	T	67.4	Low	80.2	Confident	114 Å²	114	59.5 Å²	59.5	70%	0.699	35%	0.347	S	S	*	.	H	α-helix	trans	-82.5	-30.3	-179.1	45.9	0	0	0	0	113.6	G278 S279 L280	G278-T282 PolarHBondContact O-N 2.83Å; G278-T282 PolarHBondContact O-OG1 3.01Å; S279-T282 WeakPolarHBondContact CA-OG1 3.44Å; S279-T282 PolarHBondContact O-N 2.88Å; S279-T282 PolarHBondContact O-OG1 3.21Å; L280-T282 VanDerWaalsContact C-N 3.3Å; L280-T282 PolarHBondContact O-N 3.47Å
283	S	62.5	Low	80.1	Confident	66 Å²	66	62.6 Å²	62.6	46%	0.462	36%	0.359	S	S	.	.	H	α-helix	trans	-114.9	-22.7	-165.6	-56.1	0	0	0	0	113.7	P179 S279	P179-S283 WeakPolarHBondContact CB-O 3.38Å; S279-S283 WeakPolarHBondContact O-CB 3.07Å; S279-S283 PolarHBondContact O-N 3.3Å; S279-S283 PolarHBondContact O-OG 2.92Å
284	S	64.1	Low	80.1	Confident	18 Å²	18	62.6 Å²	62.6	13%	0.126	36%	0.359	C	S	.	.	S	Bend	trans	-107.6	159.3	-174.4	75.3	0	0	0	0	112.8	P179 L280 I286	P179-S284 WeakPolarHBondContact O-CB 3.35Å; L280-S284 WeakPolarHBondContact O-CB 3.21Å; L280-S284 PolarHBondContact O-N 3.21Å; L280-S284 PolarHBondContact O-OG 3.22Å; S284-I286 PolarHBondContact O-N 3.06Å; S284-I286 VanDerWaalsContact OG-CB 3.3Å; S284-I286 WeakPolarHBondContact OG-CB 3.23Å; S284-I286 WeakPolarHBondContact OG-CD1 3.49Å; S284-I286 VanDerWaalsContact OG-CG1 3.25Å; S284-I286 WeakPolarHBondContact OG-CG1 3.47Å
285	N	67.9	Low	80.1	Confident	162 Å²	162	63.3 Å²	63.3	87%	0.866	37%	0.367	S	S	*	.	S	Bend	trans	-70	26.5	171.8	-74	-26	0	0	0	113
286	I	77.9	Confident	80.3	Confident	8 Å²	8	63 Å²	63	4%	0.041	37%	0.369	C	S	.	.			trans	-96.1	112	179.9	-63.4	-179.5	0	0	0	108.2	S284 D290 L291 I307 F311	S284-I286 PolarHBondContact O-N 3.06Å; S284-I286 VanDerWaalsContact OG-CB 3.3Å; S284-I286 WeakPolarHBondContact OG-CB 3.23Å; S284-I286 WeakPolarHBondContact OG-CD1 3.49Å; S284-I286 VanDerWaalsContact OG-CG1 3.25Å; S284-I286 WeakPolarHBondContact OG-CG1 3.47Å; I286-D290 HydrophobicContact CG2-CB 3.77Å; I286-L291 HydrophobicContact CG2-CD2 3.9Å; I286-L291 HydrophobicContact CG2-CG 4.18Å; I286-I307 HydrophobicContact CD1-CD1 4.06Å; I286-I307 HydrophobicContact CD1-CG2 3.84Å; I286-I307 HydrophobicContact CG2-CD1 3.91Å; I286-F311 HydrophobicContact CD1-CD1 3.92Å; I286-F311 HydrophobicContact CD1-CE1 3.18Å; I286-F311 HydrophobicContact CD1-CZ 3.7Å; I286-F311 HydrophobicContact CG1-CE1 4.34Å
287	G	79.8	Confident	80.6	Confident	36 Å²	36	62.5 Å²	62.5	37%	0.371	37%	0.368	S	S	.	.			trans	-90.2	174.5	174.4	0	0	0	0	0	113.2	T289 D290 L291	G287-T289 PolarHBondContact O-N 3.27Å; G287-D290 WeakPolarHBondContact O-CB 3.32Å; G287-D290 PolarHBondContact O-N 3.36Å; G287-L291 PolarHBondContact O-N 3.19Å
288	D	81.6	Confident	81	Confident	112 Å²	112	58 Å²	58	60%	0.599	36%	0.359	S	S	*	.	H	α-helix	trans	-55.6	-36.3	177.1	-68.8	-39.4	0	0	0	113.1	D290 L291 N292	D288-D290 VanDerWaalsContact C-N 3.26Å; D288-D290 PolarHBondContact O-N 2.91Å; D288-L291 PolarHBondContact O-N 3.24Å; D288-N292 VanDerWaalsContact O-CG 3.29Å; D288-N292 PolarHBondContact O-N 3.4Å; D288-N292 PolarHBondContact O-ND2 2.86Å
289	T	83.2	Confident	81.7	Confident	93 Å²	93	56.3 Å²	56.3	57%	0.571	34%	0.34	S	S	*	.	H	α-helix	trans	-59.5	-37.8	175.9	-57.4	0	0	0	0	112	G287 N292 K293	G287-T289 PolarHBondContact O-N 3.27Å; T289-N292 PolarHBondContact O-N 3.25Å; T289-K293 WeakPolarHBondContact O-CG 3.28Å; T289-K293 PolarHBondContact O-N 3.38Å; T289-K293 VanDerWaalsContact O-N 3.09Å
290	D	85.6	Confident	82.3	Confident	16 Å²	16	55.9 Å²	55.9	9%	0.086	34%	0.335	C	S	.	.	H	α-helix	trans	-73.4	-38.2	179.4	-67.7	-39	0	0	0	111.2	I286 G287 D288 N292 K293 L294 I307 K310	I286-D290 HydrophobicContact CG2-CB 3.77Å; G287-D290 WeakPolarHBondContact O-CB 3.32Å; G287-D290 PolarHBondContact O-N 3.36Å; D288-D290 VanDerWaalsContact C-N 3.26Å; D288-D290 PolarHBondContact O-N 2.91Å; D290-N292 VanDerWaalsContact C-N 3.34Å; D290-N292 PolarHBondContact O-N 3.35Å; D290-K293 PolarHBondContact O-N 2.92Å; D290-L294 WeakPolarHBondContact O-CB 3.39Å; D290-L294 PolarHBondContact O-N 3.29Å; D290-I307 HydrophobicContact CB-CD1 3.92Å; D290-K310 IonicContact OD1-NZ 2.82Å; D290-K310 PolarHBondContact OD1-NZ 2.89Å; D290-K310 IonicContact OD2-NZ 3.6Å; D290-K310 PolarHBondContact OD2-NZ 3.17Å
291	L	84.6	Confident	83.1	Confident	18 Å²	18	56.8 Å²	56.8	9%	0.094	34%	0.34	C	S	.	.	H	α-helix	trans	-63.8	-38.4	172.1	-66.5	-169.5	0	0	0	112.4	L281 I286 G287 D288 K293 L294 C295	L281-L291 HydrophobicContact CD1-CD1 3.8Å; L281-L291 HydrophobicContact CD2-CD1 3.53Å; L281-L291 HydrophobicContact CD2-CG 4.25Å; L281-L291 HydrophobicContact CG-CD1 3.73Å; I286-L291 HydrophobicContact CG2-CD2 3.9Å; I286-L291 HydrophobicContact CG2-CG 4.18Å; G287-L291 PolarHBondContact O-N 3.19Å; D288-L291 PolarHBondContact O-N 3.24Å; L291-K293 VanDerWaalsContact C-N 3.34Å; L291-K293 PolarHBondContact O-N 3.36Å; L291-L294 HydrophobicContact CD2-CD2 4.2Å; L291-L294 WeakPolarHBondContact O-CB 3.4Å; L291-L294 PolarHBondContact O-N 3.44Å; L291-C295 PolarHBondContact O-N 3.34Å; L291-C295 PolarHBondContact O-SG 3.05Å; L291-C295 VanDerWaalsContact O-SG 3.35Å
292	N	87.8	Confident	84.4	Confident	113 Å²	113	57.1 Å²	57.1	60%	0.604	34%	0.339	S	S	*	.	H	α-helix	trans	-62.7	-42.6	174.6	-72.8	-28.4	0	0	0	111.4	D288 T289 D290 C295 A296	D288-N292 VanDerWaalsContact O-CG 3.29Å; D288-N292 PolarHBondContact O-N 3.4Å; D288-N292 PolarHBondContact O-ND2 2.86Å; T289-N292 PolarHBondContact O-N 3.25Å; D290-N292 VanDerWaalsContact C-N 3.34Å; D290-N292 PolarHBondContact O-N 3.35Å; N292-C295 WeakPolarHBondContact O-CB 3.36Å; N292-C295 PolarHBondContact O-N 3.4Å; N292-A296 PolarHBondContact O-N 3.45Å
293	K	91.1	Very high	85.7	Confident	98 Å²	98	51.7 Å²	51.7	43%	0.426	31%	0.306	S	S	.	.	H	α-helix	trans	-65.1	-38.9	174.2	-69.7	179	-172.8	174.9	0	112.2	T289 D290 L291 A296 A297 N306	T289-K293 WeakPolarHBondContact O-CG 3.28Å; T289-K293 PolarHBondContact O-N 3.38Å; T289-K293 VanDerWaalsContact O-N 3.09Å; D290-K293 PolarHBondContact O-N 2.92Å; L291-K293 VanDerWaalsContact C-N 3.34Å; L291-K293 PolarHBondContact O-N 3.36Å; K293-A296 CarbonylContact O-C 3.55Å; K293-A296 PolarHBondContact O-N 3.49Å; K293-A297 PolarHBondContact O-N 3.34Å; K293-N306 HydrophobicContact CB-CB 4.2Å; K293-N306 WeakPolarHBondContact CD-OD1 3.47Å
294	L	90.6	Very high	87.2	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-45.9	172.6	173.2	63.9	0	0	0	111.3	K270 I273 L274 D290 L291 A296 A297 I303 I307	K270-L294 HydrophobicContact CB-CD1 4.32Å; K270-L294 WeakPolarHBondContact CE-O 3.43Å; K270-L294 HydrophobicContact CG-CD1 4.08Å; K270-L294 HydrophobicContact CG-CG 4.15Å; I273-L294 HydrophobicContact CB-CD2 3.9Å; I273-L294 HydrophobicContact CD1-CD1 3.94Å; I273-L294 HydrophobicContact CG2-CD2 3.39Å; L274-L294 HydrophobicContact CD2-CD2 3.91Å; L274-L294 HydrophobicContact CG-CD2 4.13Å; D290-L294 WeakPolarHBondContact O-CB 3.39Å; D290-L294 PolarHBondContact O-N 3.29Å; L291-L294 HydrophobicContact CD2-CD2 4.2Å; L291-L294 WeakPolarHBondContact O-CB 3.4Å; L291-L294 PolarHBondContact O-N 3.44Å; L294-A296 VanDerWaalsContact C-N 3.26Å; L294-A296 PolarHBondContact O-N 3.2Å; L294-A297 WeakPolarHBondContact O-CB 3.4Å; L294-A297 PolarHBondContact O-N 2.93Å; L294-A297 VanDerWaalsContact O-N 3.12Å; L294-I303 HydrophobicContact CD1-CB 4.48Å; L294-I303 HydrophobicContact CD1-CD1 4.3Å; L294-I303 HydrophobicContact CD1-CG1 3.95Å; L294-I303 HydrophobicContact CD1-CG2 4.02Å; L294-I307 HydrophobicContact CB-CD1 4.24Å; L294-I307 HydrophobicContact CB-CG1 4.02Å; L294-I307 HydrophobicContact CD1-CG1 4.19Å; L294-I307 HydrophobicContact CD2-CG1 4.31Å; L294-I307 HydrophobicContact CG-CG1 4.4Å
295	C	89.9	Confident	88.6	Confident	69 Å²	69	51.3 Å²	51.3	47%	0.466	30%	0.297	S	S	.	.	H	α-helix	trans	-59.2	-37.9	175.7	-74.2	0	0	0	0	112	K270 L291 N292	K270-C295 PolarHBondContact NZ-O 2.91Å; L291-C295 PolarHBondContact O-N 3.34Å; L291-C295 PolarHBondContact O-SG 3.05Å; L291-C295 VanDerWaalsContact O-SG 3.35Å; N292-C295 WeakPolarHBondContact O-CB 3.36Å; N292-C295 PolarHBondContact O-N 3.4Å
296	A	93.6	Very high	89.6	Confident	73 Å²	73	44.8 Å²	44.8	60%	0.603	26%	0.263	S	S	*	.	H	α-helix	trans	-79.7	-14.3	176.7	0	0	0	0	0	114.6	N292 K293 L294	N292-A296 PolarHBondContact O-N 3.45Å; K293-A296 CarbonylContact O-C 3.55Å; K293-A296 PolarHBondContact O-N 3.49Å; L294-A296 VanDerWaalsContact C-N 3.26Å; L294-A296 PolarHBondContact O-N 3.2Å
297	A	94.3	Very high	90.3	Very high	4 Å²	4	44.4 Å²	44.4	3%	0.033	26%	0.261	C	S	.	.			trans	-64.5	137	-174.6	0	0	0	0	0	112.4	K270 K293 L294 Q302 I303	K270-A297 VanDerWaalsContact CE-O 3.23Å; K270-A297 WeakPolarHBondContact CE-O 3.45Å; K270-A297 PolarHBondContact NZ-O 3.21Å; K293-A297 PolarHBondContact O-N 3.34Å; L294-A297 WeakPolarHBondContact O-CB 3.4Å; L294-A297 PolarHBondContact O-N 2.93Å; L294-A297 VanDerWaalsContact O-N 3.12Å; A297-Q302 HydrophobicContact CB-CB 3.82Å; A297-I303 HydrophobicContact CB-CG1 3.66Å
298	T	93.4	Very high	90.8	Very high	70 Å²	70	43 Å²	43	43%	0.429	24%	0.244	S	C	.	.			trans	-121.8	2.8	-178.7	58.3	0	0	0	0	112.8	F263 Q302	F263-T298 HydrophobicContact CD2-CG2 4.5Å; F263-T298 WeakPolarHBondContact CD2-O 3.39Å; F263-T298 HydrophobicContact CE2-CG2 4.17Å; T298-Q302 PolarHBondContact OG1-OE1 3.13Å; T298-Q302 VanDerWaalsContact OG1-OE1 3.11Å
299	S	94	Very high	91.3	Very high	12 Å²	12	39.9 Å²	39.9	8%	0.084	22%	0.224	C	C	.	.	S	Bend	trans	-146.4	155.8	179.6	59.2	0	0	0	0	110.8	A266 M301 Q302 I303	A266-S299 VanDerWaalsContact CB-C 3.44Å; S299-M301 VanDerWaalsContact C-N 3.27Å; S299-M301 PolarHBondContact O-N 2.96Å; S299-Q302 PolarHBondContact O-N 2.82Å; S299-Q302 WeakPolarHBondContact OG-CG 3.44Å; S299-Q302 PolarHBondContact OG-N 3.22Å; S299-Q302 PolarHBondContact OG-OE1 2.86Å; S299-I303 PolarHBondContact O-N 3.48Å
300	L	93.8	Very high	91.6	Very high	19 Å²	19	38.5 Å²	38.5	10%	0.099	21%	0.21	C	C	.	.	H	α-helix	trans	-58.5	-41.5	174.9	-72.3	174	0	0	0	111.1	I139 N262 L265 M269 Q302 I303 D304	I139-L300 HydrophobicContact CD1-CD2 4.44Å; N262-L300 PolarHBondContact OD1-N 2.61Å; L265-L300 HydrophobicContact CB-CD1 3.91Å; L265-L300 HydrophobicContact CB-CD2 4.23Å; L265-L300 HydrophobicContact CB-CG 4.15Å; L265-L300 HydrophobicContact CD1-CD1 4.05Å; M269-L300 HydrophobicContact CB-CD2 4.12Å; L300-Q302 VanDerWaalsContact C-N 3.27Å; L300-Q302 PolarHBondContact O-N 3.06Å; L300-I303 CarbonylContact O-C 3.49Å; L300-I303 WeakPolarHBondContact O-CA 3.48Å; L300-I303 WeakPolarHBondContact O-CB 3.26Å; L300-I303 PolarHBondContact O-N 2.71Å; L300-D304 WeakPolarHBondContact O-CB 2.91Å; L300-D304 VanDerWaalsContact O-CG 3.24Å; L300-D304 PolarHBondContact O-N 3.38Å
301	M	94.3	Very high	91.6	Very high	18 Å²	18	38.8 Å²	38.8	9%	0.089	21%	0.211	C	C	.	.	H	α-helix	trans	-57.4	-38.5	178	-66.4	73.5	82	0	0	113.2	Q248 F251 L252 N262 S299 D304 D305 L317 Y321	Q248-M301 HydrophobicContact CB-CG 3.91Å; Q248-M301 HydrophobicContact CB-SD 4.43Å; F251-M301 HydrophobicContact CB-CE 3.95Å; F251-M301 HydrophobicContact CB-SD 4.16Å; L252-M301 HydrophobicContact CD1-CE 4.12Å; L252-M301 HydrophobicContact CD2-CE 3.26Å; L252-M301 HydrophobicContact CG-CE 3.4Å; L252-M301 VanDerWaalsContact CG-CE 3.4Å; N262-M301 WeakPolarHBondContact ND2-CE 3.46Å; S299-M301 VanDerWaalsContact C-N 3.27Å; S299-M301 PolarHBondContact O-N 2.96Å; M301-D304 PolarHBondContact O-N 2.87Å; M301-D305 WeakPolarHBondContact O-CB 3.3Å; M301-D305 PolarHBondContact O-N 3.5Å; M301-L317 HydrophobicContact CB-CD2 4.21Å; M301-Y321 WeakPolarHBondContact CA-OH 3.45Å; M301-Y321 HydrophobicContact CG-CE2 4.22Å; M301-Y321 WeakPolarHBondContact CG-OH 3.1Å
302	Q	94.6	Very high	91.5	Very high	81 Å²	81	39.7 Å²	39.7	38%	0.379	21%	0.214	S	C	.	.	H	α-helix	trans	-69.5	-36.6	174.7	-75.2	174.8	-32.8	0	0	112	A297 T298 S299 L300 N306	A297-Q302 HydrophobicContact CB-CB 3.82Å; T298-Q302 PolarHBondContact OG1-OE1 3.13Å; T298-Q302 VanDerWaalsContact OG1-OE1 3.11Å; S299-Q302 PolarHBondContact O-N 2.82Å; S299-Q302 WeakPolarHBondContact OG-CG 3.44Å; S299-Q302 PolarHBondContact OG-N 3.22Å; S299-Q302 PolarHBondContact OG-OE1 2.86Å; L300-Q302 VanDerWaalsContact C-N 3.27Å; L300-Q302 PolarHBondContact O-N 3.06Å; Q302-N306 VanDerWaalsContact O-CB 3.31Å; Q302-N306 WeakPolarHBondContact O-CB 3.35Å; Q302-N306 PolarHBondContact O-N 2.66Å; Q302-N306 VanDerWaalsContact O-N 3.15Å; Q302-N306 PolarHBondContact O-ND2 3.48Å
303	I	94.5	Very high	91.5	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.5	-43.5	175.2	-63.9	178.7	0	0	0	109.9	A266 M269 K270 I273 L294 A297 S299 L300 N306 I307 M308	A266-I303 HydrophobicContact CB-CD1 3.86Å; A266-I303 WeakPolarHBondContact O-CD1 3.47Å; M269-I303 HydrophobicContact CB-CD1 4.15Å; M269-I303 HydrophobicContact CG-CG2 4.28Å; K270-I303 HydrophobicContact CB-CD1 4.17Å; I273-I303 HydrophobicContact CD1-CG2 3.44Å; I273-I303 VanDerWaalsContact CD1-CG2 3.44Å; L294-I303 HydrophobicContact CD1-CB 4.48Å; L294-I303 HydrophobicContact CD1-CD1 4.3Å; L294-I303 HydrophobicContact CD1-CG1 3.95Å; L294-I303 HydrophobicContact CD1-CG2 4.02Å; A297-I303 HydrophobicContact CB-CG1 3.66Å; S299-I303 PolarHBondContact O-N 3.48Å; L300-I303 CarbonylContact O-C 3.49Å; L300-I303 WeakPolarHBondContact O-CA 3.48Å; L300-I303 WeakPolarHBondContact O-CB 3.26Å; L300-I303 PolarHBondContact O-N 2.71Å; I303-N306 PolarHBondContact O-N 2.78Å; I303-I307 WeakPolarHBondContact O-CA 3.36Å; I303-I307 WeakPolarHBondContact O-CB 3.46Å; I303-I307 PolarHBondContact O-N 3.05Å; I303-M308 HydrophobicContact CG2-CG 4.12Å; I303-M308 PolarHBondContact O-N 3.12Å
304	D	94.4	Very high	91.6	Very high	18 Å²	18	34.5 Å²	34.5	10%	0.096	20%	0.202	C	C	.	.	I	π-helix	trans	-64.5	-43.5	-178.7	-67.2	-20.3	0	0	0	111.6	L300 M301 M308 R309 L317 Y320 Y321	L300-D304 WeakPolarHBondContact O-CB 2.91Å; L300-D304 VanDerWaalsContact O-CG 3.24Å; L300-D304 PolarHBondContact O-N 3.38Å; M301-D304 PolarHBondContact O-N 2.87Å; D304-M308 HydrophobicContact CB-CB 4.4Å; D304-M308 PolarHBondContact O-N 2.77Å; D304-M308 VanDerWaalsContact OD1-CG 3.24Å; D304-M308 WeakPolarHBondContact OD1-CG 3.45Å; D304-R309 WeakPolarHBondContact O-CB 3.36Å; D304-R309 WeakPolarHBondContact O-CG 3.48Å; D304-R309 PolarHBondContact O-N 2.9Å; D304-L317 HydrophobicContact CB-CD1 3.6Å; D304-Y320 HydrophobicContact CB-CD1 4.25Å; D304-Y320 HydrophobicContact CB-CE1 3.86Å; D304-Y321 HydrophobicContact CB-CE1 4.22Å; D304-Y321 VanDerWaalsContact OD2-CE1 3.26Å; D304-Y321 WeakPolarHBondContact OD2-CE1 3.31Å; D304-Y321 PolarHBondContact OD2-OH 2.92Å
305	D	93.3	Very high	91.6	Very high	57 Å²	57	40.7 Å²	40.7	31%	0.305	24%	0.235	S	C	.	.	I	π-helix	trans	-70.4	-37.1	179.4	-172.5	42.9	0	0	0	112.9	M301 R309 L317	M301-D305 WeakPolarHBondContact O-CB 3.3Å; M301-D305 PolarHBondContact O-N 3.5Å; D305-R309 PolarHBondContact O-NE 3.28Å; D305-R309 PolarHBondContact O-NH2 3.23Å; D305-R309 IonicContact OD1-CZ 2.76Å; D305-R309 IonicContact OD1-NE 2.66Å; D305-R309 PolarHBondContact OD1-NE 3.36Å; D305-R309 IonicContact OD1-NH2 2.75Å; D305-L317 HydrophobicContact CB-CB 4.26Å; D305-L317 HydrophobicContact CB-CD1 4.19Å; D305-L317 HydrophobicContact CB-CD2 4.26Å; D305-L317 HydrophobicContact CB-CG 4.47Å
306	N	90.5	Very high	91.9	Very high	26 Å²	26	39.9 Å²	39.9	14%	0.139	23%	0.23	C	C	.	.	I	π-helix	trans	-84.3	-31.4	-177.2	-69.4	-54.4	0	0	0	113.1	K293 Q302 I303 K310	K293-N306 HydrophobicContact CB-CB 4.2Å; K293-N306 WeakPolarHBondContact CD-OD1 3.47Å; Q302-N306 VanDerWaalsContact O-CB 3.31Å; Q302-N306 WeakPolarHBondContact O-CB 3.35Å; Q302-N306 PolarHBondContact O-N 2.66Å; Q302-N306 VanDerWaalsContact O-N 3.15Å; Q302-N306 PolarHBondContact O-ND2 3.48Å; I303-N306 PolarHBondContact O-N 2.78Å; N306-K310 WeakPolarHBondContact O-CD 3.29Å; N306-K310 WeakPolarHBondContact O-CE 3.26Å
307	I	90.7	Very high	91.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.209	C	C	.	.	I	π-helix	trans	-126.8	-64.9	-169.2	-57.4	-65.3	0	0	0	111.5	I273 I286 D290 L294 I303 R309 K310 F311	I273-I307 HydrophobicContact CD1-CG2 4.16Å; I273-I307 HydrophobicContact CG2-CG2 4.28Å; I286-I307 HydrophobicContact CD1-CD1 4.06Å; I286-I307 HydrophobicContact CD1-CG2 3.84Å; I286-I307 HydrophobicContact CG2-CD1 3.91Å; D290-I307 HydrophobicContact CB-CD1 3.92Å; L294-I307 HydrophobicContact CB-CD1 4.24Å; L294-I307 HydrophobicContact CB-CG1 4.02Å; L294-I307 HydrophobicContact CD1-CG1 4.19Å; L294-I307 HydrophobicContact CD2-CG1 4.31Å; L294-I307 HydrophobicContact CG-CG1 4.4Å; I303-I307 WeakPolarHBondContact O-CA 3.36Å; I303-I307 WeakPolarHBondContact O-CB 3.46Å; I303-I307 PolarHBondContact O-N 3.05Å; I307-R309 PolarHBondContact O-N 3.32Å; I307-K310 WeakPolarHBondContact O-CB 3.29Å; I307-K310 PolarHBondContact O-N 3.19Å; I307-F311 HydrophobicContact CG2-CD2 4.35Å; I307-F311 HydrophobicContact CG2-CE1 4.28Å; I307-F311 HydrophobicContact CG2-CE2 3.59Å; I307-F311 HydrophobicContact CG2-CZ 3.54Å; I307-F311 PolarHBondContact O-N 3.26Å
308	M	91.3	Very high	92	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.025	24%	0.239	C	C	.	.	I	π-helix	trans	-64.4	-38.3	-163.3	-52.8	-66.3	-80	0	0	113.2	F182 I273 I303 D304 K310 F311	F182-M308 WeakPolarHBondContact O-CE 3.33Å; I273-M308 HydrophobicContact CD1-SD 4.02Å; I303-M308 HydrophobicContact CG2-CG 4.12Å; I303-M308 PolarHBondContact O-N 3.12Å; D304-M308 HydrophobicContact CB-CB 4.4Å; D304-M308 PolarHBondContact O-N 2.77Å; D304-M308 VanDerWaalsContact OD1-CG 3.24Å; D304-M308 WeakPolarHBondContact OD1-CG 3.45Å; M308-K310 PolarHBondContact O-N 2.92Å; M308-F311 WeakPolarHBondContact O-CB 3.45Å; M308-F311 PolarHBondContact O-N 3.05Å; M308-F311 HydrophobicContact SD-CD2 3.98Å; M308-F311 HydrophobicContact SD-CE2 3.73Å
309	R	92.1	Very high	92.1	Very high	47 Å²	47	45.8 Å²	45.8	18%	0.177	23%	0.233	C	C	.	.	H	α-helix	trans	-64.9	-30.8	177.8	78.4	170.2	174.4	75.8	4.8	112.3	D304 D305 I307 G313 Y314 N315 Y320	D304-R309 WeakPolarHBondContact O-CB 3.36Å; D304-R309 WeakPolarHBondContact O-CG 3.48Å; D304-R309 PolarHBondContact O-N 2.9Å; D305-R309 PolarHBondContact O-NE 3.28Å; D305-R309 PolarHBondContact O-NH2 3.23Å; D305-R309 IonicContact OD1-CZ 2.76Å; D305-R309 IonicContact OD1-NE 2.66Å; D305-R309 PolarHBondContact OD1-NE 3.36Å; D305-R309 IonicContact OD1-NH2 2.75Å; I307-R309 PolarHBondContact O-N 3.32Å; R309-G313 PolarHBondContact O-N 3.24Å; R309-Y314 PolarHBondContact NH1-O 3.24Å; R309-Y314 WeakPolarHBondContact O-CD2 3.4Å; R309-Y314 PolarHBondContact O-N 2.87Å; R309-N315 PolarHBondContact NH1-O 3.18Å; R309-Y320 HydrophobicContact CB-CD1 4.43Å; R309-Y320 HydrophobicContact CB-CD2 4.12Å; R309-Y320 HydrophobicContact CB-CG 3.89Å
310	K	89.7	Confident	92.2	Very high	65 Å²	65	45.3 Å²	45.3	28%	0.283	23%	0.229	S	C	.	.	H	α-helix	trans	-73.3	-30.4	-179	-62.7	-174.2	176.5	-177.2	0	112	D290 N306 I307 M308 H312 G313	D290-K310 IonicContact OD1-NZ 2.82Å; D290-K310 PolarHBondContact OD1-NZ 2.89Å; D290-K310 IonicContact OD2-NZ 3.6Å; D290-K310 PolarHBondContact OD2-NZ 3.17Å; N306-K310 WeakPolarHBondContact O-CD 3.29Å; N306-K310 WeakPolarHBondContact O-CE 3.26Å; I307-K310 WeakPolarHBondContact O-CB 3.29Å; I307-K310 PolarHBondContact O-N 3.19Å; M308-K310 PolarHBondContact O-N 2.92Å; K310-H312 PolarHBondContact O-N 2.87Å; K310-H312 VanDerWaalsContact O-N 3.16Å; K310-G313 PolarHBondContact O-N 3.06Å; K310-G313 VanDerWaalsContact O-N 3.11Å
311	F	85.7	Confident	92.3	Very high	22 Å²	22	44.8 Å²	44.8	10%	0.096	23%	0.226	C	C	.	.	H	α-helix	trans	-55.9	-31	176.5	-74.1	-33.9	0	0	0	113.8	P179 R180 M181 L280 I286 I307 M308	P179-F311 VanDerWaalsContact O-CD1 3.3Å; P179-F311 WeakPolarHBondContact O-CD1 3.37Å; R180-F311 HydrophobicContact CB-CB 3.73Å; R180-F311 HydrophobicContact CB-CD1 4.15Å; R180-F311 HydrophobicContact CB-CG 4Å; M181-F311 HydrophobicContact CB-CD2 4.27Å; M181-F311 HydrophobicContact CB-CE2 3.83Å; M181-F311 HydrophobicContact CB-CZ 4.45Å; M181-F311 HydrophobicContact CG-CE2 3.94Å; M181-F311 HydrophobicContact CG-CZ 4.09Å; M181-F311 HydrophobicContact SD-CE2 4.26Å; M181-F311 HydrophobicContact SD-CZ 4.34Å; L280-F311 HydrophobicContact CD1-CE1 4.47Å; L280-F311 HydrophobicContact CD1-CZ 3.96Å; L280-F311 HydrophobicContact CD2-CE1 3.61Å; L280-F311 HydrophobicContact CD2-CZ 3.77Å; I286-F311 HydrophobicContact CD1-CD1 3.92Å; I286-F311 HydrophobicContact CD1-CE1 3.18Å; I286-F311 HydrophobicContact CD1-CZ 3.7Å; I286-F311 HydrophobicContact CG1-CE1 4.34Å; I307-F311 HydrophobicContact CG2-CD2 4.35Å; I307-F311 HydrophobicContact CG2-CE1 4.28Å; I307-F311 HydrophobicContact CG2-CE2 3.59Å; I307-F311 HydrophobicContact CG2-CZ 3.54Å; I307-F311 PolarHBondContact O-N 3.26Å; M308-F311 WeakPolarHBondContact O-CB 3.45Å; M308-F311 PolarHBondContact O-N 3.05Å; M308-F311 HydrophobicContact SD-CD2 3.98Å; M308-F311 HydrophobicContact SD-CE2 3.73Å
312	H	82.2	Confident	92.3	Very high	36 Å²	36	47.5 Å²	47.5	17%	0.167	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	15.6	-179.9	-65.2	74.4	0	0	0	112.2	T183 W188 K310 Y314	T183-H312 WeakPolarHBondContact CG2-CE1 3.27Å; T183-H312 VanDerWaalsContact CG2-ND1 3.31Å; T183-H312 WeakPolarHBondContact CG2-ND1 3.43Å; W188-H312 AromaticContact CH2-CD2 3.84Å; W188-H312 AromaticContact CZ3-CD2 3.99Å; K310-H312 PolarHBondContact O-N 2.87Å; K310-H312 VanDerWaalsContact O-N 3.16Å; H312-Y314 HydrophobicContact CB-CD2 3.81Å; H312-Y314 HydrophobicContact CB-CE2 3.45Å; H312-Y314 VanDerWaalsContact CB-CE2 3.45Å; H312-Y314 PolarHBondContact O-N 2.87Å
313	G	87.6	Confident	92.3	Very high	58 Å²	58	48.7 Å²	48.7	60%	0.598	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.5	22.8	171.8	0	0	0	0	0	115.9	R309 K310	R309-G313 PolarHBondContact O-N 3.24Å; K310-G313 PolarHBondContact O-N 3.06Å; K310-G313 VanDerWaalsContact O-N 3.11Å
314	Y	92.6	Very high	92.4	Very high	44 Å²	44	48.7 Å²	48.7	17%	0.173	24%	0.243	C	C	.	.			trans	-74.8	137.5	178.4	-63.6	-73.6	0	0	0	112.2	R309 H312 E319 Y320 K323	R309-Y314 PolarHBondContact NH1-O 3.24Å; R309-Y314 WeakPolarHBondContact O-CD2 3.4Å; R309-Y314 PolarHBondContact O-N 2.87Å; H312-Y314 HydrophobicContact CB-CD2 3.81Å; H312-Y314 HydrophobicContact CB-CE2 3.45Å; H312-Y314 VanDerWaalsContact CB-CE2 3.45Å; H312-Y314 PolarHBondContact O-N 2.87Å; Y314-E319 HydrophobicContact CD1-CG 4.02Å; Y314-Y320 AromaticContact CD2-CD2 3.44Å; Y314-Y320 HydrophobicContact CD2-CD2 3.44Å; Y314-Y320 VanDerWaalsContact CD2-CD2 3.44Å; Y314-Y320 HydrophobicContact CD2-CE2 4.31Å; Y314-Y320 HydrophobicContact CD2-CG 4.27Å; Y314-Y320 AromaticContact CE2-CD2 3.57Å; Y314-Y320 HydrophobicContact CE2-CD2 3.57Å; Y314-Y320 HydrophobicContact CE2-CE2 4.19Å; Y314-Y320 HydrophobicContact CG-CD2 4.25Å; Y314-K323 HydrophobicContact CE1-CB 3.7Å; Y314-K323 HydrophobicContact CE1-CG 3.89Å
315	N	91.9	Very high	92.5	Very high	131 Å²	131	47.9 Å²	47.9	70%	0.701	24%	0.238	S	C	*	.	S	Bend	trans	-76.3	-29.5	-173.7	-59.4	-66	0	0	0	112.7	R309 E319	R309-N315 PolarHBondContact NH1-O 3.18Å; N315-E319 VanDerWaalsContact CB-OE2 3.3Å; N315-E319 WeakPolarHBondContact CB-OE2 3.45Å; N315-E319 PolarHBondContact N-OE2 3.39Å; N315-E319 PolarHBondContact ND2-OE2 3.13Å; N315-E319 VanDerWaalsContact ND2-OE2 3.1Å
316	S	95	Very high	92.7	Very high	52 Å²	52	45.1 Å²	45.1	36%	0.364	22%	0.223	S	C	.	.	S	Bend	trans	-143.1	156.9	-178.5	68.8	0	0	0	0	112.2	R318 E319 Y320	S316-R318 PolarHBondContact O-N 3.2Å; S316-E319 PolarHBondContact O-N 3.47Å; S316-E319 WeakPolarHBondContact OG-CB 3.42Å; S316-E319 PolarHBondContact OG-N 2.86Å; S316-E319 VanDerWaalsContact OG-N 3.1Å; S316-Y320 PolarHBondContact O-N 2.9Å
317	L	94.8	Very high	93	Very high	28 Å²	28	45.8 Å²	45.8	15%	0.147	23%	0.228	C	C	.	.	H	α-helix	trans	-58.4	-37.4	172.9	-176.3	64.7	0	0	0	112.2	M301 D304 D305 Y320 Y321	M301-L317 HydrophobicContact CB-CD2 4.21Å; D304-L317 HydrophobicContact CB-CD1 3.6Å; D305-L317 HydrophobicContact CB-CB 4.26Å; D305-L317 HydrophobicContact CB-CD1 4.19Å; D305-L317 HydrophobicContact CB-CD2 4.26Å; D305-L317 HydrophobicContact CB-CG 4.47Å; L317-Y320 HydrophobicContact CD1-CD1 4.11Å; L317-Y320 WeakPolarHBondContact O-CB 3.33Å; L317-Y320 PolarHBondContact O-N 2.98Å; L317-Y321 HydrophobicContact CD1-CD2 4.16Å; L317-Y321 HydrophobicContact CD1-CE1 4.07Å; L317-Y321 HydrophobicContact CD1-CE2 3.63Å; L317-Y321 HydrophobicContact CD2-CE2 3.88Å; L317-Y321 HydrophobicContact CG-CD2 3.95Å; L317-Y321 HydrophobicContact CG-CE2 3.62Å; L317-Y321 PolarHBondContact O-N 2.81Å
318	R	95.6	Very high	93.3	Very high	179 Å²	179	49.1 Å²	49.1	68%	0.675	24%	0.244	S	C	*	.	H	α-helix	trans	-62.4	-47.5	176.7	177.2	173.9	-178.3	145.5	1.8	111.6	L245 S316 Y320 Y321 E322	L245-R318 HydrophobicContact CD1-CB 4.31Å; L245-R318 HydrophobicContact CD1-CG 3.82Å; S316-R318 PolarHBondContact O-N 3.2Å; R318-Y320 VanDerWaalsContact C-N 3.34Å; R318-Y321 PolarHBondContact O-N 3.22Å; R318-E322 WeakPolarHBondContact O-CB 3.48Å; R318-E322 PolarHBondContact O-N 2.81Å
319	E	95.6	Very high	93.6	Very high	63 Å²	63	51.4 Å²	51.4	29%	0.294	25%	0.253	S	S	.	.	H	α-helix	trans	-60.8	-45.5	177.4	-176.8	-175.4	-169	0	0	111.1	Y314 N315 S316 Y321 E322 K323	Y314-E319 HydrophobicContact CD1-CG 4.02Å; N315-E319 VanDerWaalsContact CB-OE2 3.3Å; N315-E319 WeakPolarHBondContact CB-OE2 3.45Å; N315-E319 PolarHBondContact N-OE2 3.39Å; N315-E319 PolarHBondContact ND2-OE2 3.13Å; N315-E319 VanDerWaalsContact ND2-OE2 3.1Å; S316-E319 PolarHBondContact O-N 3.47Å; S316-E319 WeakPolarHBondContact OG-CB 3.42Å; S316-E319 PolarHBondContact OG-N 2.86Å; S316-E319 VanDerWaalsContact OG-N 3.1Å; E319-Y321 PolarHBondContact O-N 3.36Å; E319-E322 PolarHBondContact O-N 2.87Å; E319-K323 HydrophobicContact CG-CG 4.38Å; E319-K323 WeakPolarHBondContact O-CB 3.42Å; E319-K323 VanDerWaalsContact O-CG 3.32Å; E319-K323 WeakPolarHBondContact O-CG 3.33Å; E319-K323 PolarHBondContact O-N 3.06Å
320	Y	96	Very high	93.8	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-53.1	-55.7	174.3	172.3	-112.9	0	0	0	111.1	T183 Y184 D304 R309 Y314 S316 L317 R318 E322 K323 E324	T183-Y320 WeakPolarHBondContact CB-OH 3.25Å; T183-Y320 HydrophobicContact CG2-CE2 4.01Å; Y184-Y320 PolarHBondContact N-OH 2.87Å; D304-Y320 HydrophobicContact CB-CD1 4.25Å; D304-Y320 HydrophobicContact CB-CE1 3.86Å; R309-Y320 HydrophobicContact CB-CD1 4.43Å; R309-Y320 HydrophobicContact CB-CD2 4.12Å; R309-Y320 HydrophobicContact CB-CG 3.89Å; Y314-Y320 AromaticContact CD2-CD2 3.44Å; Y314-Y320 HydrophobicContact CD2-CD2 3.44Å; Y314-Y320 VanDerWaalsContact CD2-CD2 3.44Å; Y314-Y320 HydrophobicContact CD2-CE2 4.31Å; Y314-Y320 HydrophobicContact CD2-CG 4.27Å; Y314-Y320 AromaticContact CE2-CD2 3.57Å; Y314-Y320 HydrophobicContact CE2-CD2 3.57Å; Y314-Y320 HydrophobicContact CE2-CE2 4.19Å; Y314-Y320 HydrophobicContact CG-CD2 4.25Å; S316-Y320 PolarHBondContact O-N 2.9Å; L317-Y320 HydrophobicContact CD1-CD1 4.11Å; L317-Y320 WeakPolarHBondContact O-CB 3.33Å; L317-Y320 PolarHBondContact O-N 2.98Å; R318-Y320 VanDerWaalsContact C-N 3.34Å; Y320-E322 PolarHBondContact O-N 3.46Å; Y320-K323 PolarHBondContact O-N 3.33Å; Y320-E324 HydrophobicContact CD2-CG 3.59Å; Y320-E324 HydrophobicContact CE2-CG 3.5Å; Y320-E324 VanDerWaalsContact CE2-OE1 3.3Å; Y320-E324 WeakPolarHBondContact CE2-OE1 3.28Å; Y320-E324 HydrophobicContact CG-CG 4.27Å; Y320-E324 VanDerWaalsContact O-CB 3.24Å; Y320-E324 WeakPolarHBondContact O-CB 3.17Å; Y320-E324 WeakPolarHBondContact O-CG 3.45Å; Y320-E324 PolarHBondContact O-N 2.77Å
321	Y	96.1	Very high	94.1	Very high	9 Å²	9	51.3 Å²	51.3	4%	0.035	26%	0.255	C	S	.	.	H	α-helix	trans	-66.3	-34.8	-178.1	-72.8	-24	0	0	0	114.5	A244 Q248 M301 D304 L317 R318 E319 S325	A244-Y321 HydrophobicContact CB-CD1 3.54Å; A244-Y321 HydrophobicContact CB-CE1 4.17Å; A244-Y321 HydrophobicContact CB-CG 3.82Å; Q248-Y321 HydrophobicContact CB-CD2 4.09Å; Q248-Y321 HydrophobicContact CB-CE2 3.64Å; Q248-Y321 HydrophobicContact CG-CD2 4.47Å; Q248-Y321 HydrophobicContact CG-CE2 4.35Å; M301-Y321 WeakPolarHBondContact CA-OH 3.45Å; M301-Y321 HydrophobicContact CG-CE2 4.22Å; M301-Y321 WeakPolarHBondContact CG-OH 3.1Å; D304-Y321 HydrophobicContact CB-CE1 4.22Å; D304-Y321 VanDerWaalsContact OD2-CE1 3.26Å; D304-Y321 WeakPolarHBondContact OD2-CE1 3.31Å; D304-Y321 PolarHBondContact OD2-OH 2.92Å; L317-Y321 HydrophobicContact CD1-CD2 4.16Å; L317-Y321 HydrophobicContact CD1-CE1 4.07Å; L317-Y321 HydrophobicContact CD1-CE2 3.63Å; L317-Y321 HydrophobicContact CD2-CE2 3.88Å; L317-Y321 HydrophobicContact CG-CD2 3.95Å; L317-Y321 HydrophobicContact CG-CE2 3.62Å; L317-Y321 PolarHBondContact O-N 2.81Å; R318-Y321 PolarHBondContact O-N 3.22Å; E319-Y321 PolarHBondContact O-N 3.36Å; Y321-S325 WeakPolarHBondContact O-CB 3.49Å; Y321-S325 PolarHBondContact O-N 3.21Å; Y321-S325 PolarHBondContact O-OG 3.49Å
322	E	94.8	Very high	94.7	Very high	75 Å²	75	54.3 Å²	54.3	35%	0.35	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-49.9	174.5	-167	78.1	171.5	0	0	110.3	L245 R318 E319 Y320 E324 S325 H328	L245-E322 WeakPolarHBondContact CD2-OE2 3.28Å; R318-E322 WeakPolarHBondContact O-CB 3.48Å; R318-E322 PolarHBondContact O-N 2.81Å; E319-E322 PolarHBondContact O-N 2.87Å; Y320-E322 PolarHBondContact O-N 3.46Å; E322-E324 PolarHBondContact O-N 3.05Å; E322-S325 PolarHBondContact O-N 3.18Å; E322-H328 VanDerWaalsContact CD-NE2 3.3Å; E322-H328 PolarHBondContact O-CD2 3.03Å; E322-H328 PolarHBondContact O-NE2 3.34Å; E322-H328 IonicContact OE1-CE1 3.67Å; E322-H328 PolarHBondContact OE1-CE1 2.96Å; E322-H328 IonicContact OE1-ND1 2.91Å; E322-H328 IonicContact OE1-NE2 3.71Å; E322-H328 PolarHBondContact OE1-NE2 2.92Å; E322-H328 IonicContact OE2-CE1 3.52Å; E322-H328 IonicContact OE2-NE2 3.57Å
323	K	94.9	Very high	95.4	Very high	105 Å²	105	52.7 Å²	52.7	46%	0.457	27%	0.265	S	S	.	.	H	α-helix	trans	-70	-32.5	-176.5	-68.5	-68.1	-173.4	-179.5	0	113.3	K220 Y314 E319 Y320	K220-K323 WeakPolarHBondContact CE-O 3.44Å; Y314-K323 HydrophobicContact CE1-CB 3.7Å; Y314-K323 HydrophobicContact CE1-CG 3.89Å; E319-K323 HydrophobicContact CG-CG 4.38Å; E319-K323 WeakPolarHBondContact O-CB 3.42Å; E319-K323 VanDerWaalsContact O-CG 3.32Å; E319-K323 WeakPolarHBondContact O-CG 3.33Å; E319-K323 PolarHBondContact O-N 3.06Å; Y320-K323 PolarHBondContact O-N 3.33Å
324	E	95.4	Very high	95.9	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-83	-12.3	-179.1	-64	-78	-162.4	0	0	112.8	T183 Y184 G185 C186 N216 Y320 E322	T183-E324 WeakPolarHBondContact CB-OE1 3.34Å; T183-E324 VanDerWaalsContact OG1-CD 3.28Å; T183-E324 PolarHBondContact OG1-OE1 3.45Å; T183-E324 PolarHBondContact OG1-OE2 3.17Å; Y184-E324 HydrophobicContact CD1-CB 4.09Å; G185-E324 WeakPolarHBondContact CA-O 3.24Å; G185-E324 WeakPolarHBondContact CA-OE2 3.46Å; G185-E324 PolarHBondContact N-OE2 3.36Å; C186-E324 PolarHBondContact N-OE2 3.19Å; N216-E324 PolarHBondContact ND2-O 3.37Å; Y320-E324 HydrophobicContact CD2-CG 3.59Å; Y320-E324 HydrophobicContact CE2-CG 3.5Å; Y320-E324 VanDerWaalsContact CE2-OE1 3.3Å; Y320-E324 WeakPolarHBondContact CE2-OE1 3.28Å; Y320-E324 HydrophobicContact CG-CG 4.27Å; Y320-E324 VanDerWaalsContact O-CB 3.24Å; Y320-E324 WeakPolarHBondContact O-CB 3.17Å; Y320-E324 WeakPolarHBondContact O-CG 3.45Å; Y320-E324 PolarHBondContact O-N 2.77Å; E322-E324 PolarHBondContact O-N 3.05Å
325	S	97.4	Very high	96.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.257	C	S	.	.			trans	-82.5	129.1	-177.5	-68.4	0	0	0	0	112.9	S243 A244 Y321 E322 V327 Y329	S243-S325 WeakPolarHBondContact CA-OG 3.33Å; A244-S325 PolarHBondContact N-OG 3.34Å; Y321-S325 WeakPolarHBondContact O-CB 3.49Å; Y321-S325 PolarHBondContact O-N 3.21Å; Y321-S325 PolarHBondContact O-OG 3.49Å; E322-S325 PolarHBondContact O-N 3.18Å; S325-V327 PolarHBondContact O-N 2.81Å; S325-Y329 WeakPolarHBondContact O-CD2 3.38Å
326	C	97.6	Very high	96.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-69.1	-18.1	179.6	78.8	0	0	0	0	113.8	N216 C219 K220 Q240 H328 Y329 V330	N216-C326 VanDerWaalsContact O-CB 3.29Å; N216-C326 WeakPolarHBondContact O-CB 3.35Å; N216-C326 WeakPolarHBondContact OD1-CB 3.19Å; N216-C326 PolarHBondContact OD1-N 2.97Å; C219-C326 HydrophobicContact CB-CB 3.89Å; K220-C326 HydrophobicContact CB-CB 3.84Å; Q240-C326 PolarHBondContact NE2-SG 2.89Å; C326-H328 PolarHBondContact O-N 3.02Å; C326-Y329 PolarHBondContact O-N 3.09Å; C326-V330 WeakPolarHBondContact O-CB 3.35Å; C326-V330 PolarHBondContact O-N 3.49Å
327	V	96.9	Very high	96.7	Very high	40 Å²	40	44.2 Å²	44.2	24%	0.242	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-55	-28	-178	70.2	0	0	0	0	113.3	Y242 S325 Y329 I355	Y242-V327 PolarHBondContact O-N 2.9Å; S325-V327 PolarHBondContact O-N 2.81Å; V327-Y329 VanDerWaalsContact C-N 3.3Å; V327-Y329 PolarHBondContact O-N 3.32Å; V327-I355 HydrophobicContact CG2-CD1 4.45Å; V327-I355 HydrophobicContact CG2-CG2 3.91Å
328	H	95.7	Very high	96.9	Very high	70 Å²	70	42.9 Å²	42.9	32%	0.324	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-81.2	-6.4	177.7	-54.1	-72	0	0	0	114.1	E322 C326 H331	E322-H328 VanDerWaalsContact CD-NE2 3.3Å; E322-H328 PolarHBondContact O-CD2 3.03Å; E322-H328 PolarHBondContact O-NE2 3.34Å; E322-H328 IonicContact OE1-CE1 3.67Å; E322-H328 PolarHBondContact OE1-CE1 2.96Å; E322-H328 IonicContact OE1-ND1 2.91Å; E322-H328 IonicContact OE1-NE2 3.71Å; E322-H328 PolarHBondContact OE1-NE2 2.92Å; E322-H328 IonicContact OE2-CE1 3.52Å; E322-H328 IonicContact OE2-NE2 3.57Å; C326-H328 PolarHBondContact O-N 3.02Å; H328-H331 PolarHBondContact O-CE1 3.1Å
329	Y	97.3	Very high	97	Very high	53 Å²	53	34.3 Å²	34.3	21%	0.208	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-30.1	-172.7	-58	-85.9	0	0	0	112.3	K220 G223 E224 S325 C326 V327 H331 N332	K220-Y329 HydrophobicContact CD-CD2 4.14Å; K220-Y329 HydrophobicContact CD-CE2 4.12Å; K220-Y329 HydrophobicContact CG-CD2 3.82Å; K220-Y329 HydrophobicContact CG-CE2 4.18Å; K220-Y329 HydrophobicContact CG-CG 4.2Å; G223-Y329 VanDerWaalsContact CA-O 3.26Å; G223-Y329 WeakPolarHBondContact CA-O 3.35Å; E224-Y329 HydrophobicContact CG-CD1 3.71Å; E224-Y329 HydrophobicContact CG-CE1 3.86Å; E224-Y329 HydrophobicContact CG-CG 4.3Å; S325-Y329 WeakPolarHBondContact O-CD2 3.38Å; C326-Y329 PolarHBondContact O-N 3.09Å; V327-Y329 VanDerWaalsContact C-N 3.3Å; V327-Y329 PolarHBondContact O-N 3.32Å; Y329-H331 PolarHBondContact O-N 2.83Å; Y329-N332 WeakPolarHBondContact O-CB 3.47Å; Y329-N332 PolarHBondContact O-N 3.42Å
330	V	96.6	Very high	97.2	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-59.5	-24.8	-171	67.2	0	0	0	0	114	C219 C326 N332 V333 L337 L359	C219-V330 HydrophobicContact CB-CG2 4.26Å; C326-V330 WeakPolarHBondContact O-CB 3.35Å; C326-V330 PolarHBondContact O-N 3.49Å; V330-N332 PolarHBondContact O-N 3.48Å; V330-V333 HydrophobicContact CG2-CG2 4.48Å; V330-V333 WeakPolarHBondContact O-CB 3.25Å; V330-V333 WeakPolarHBondContact O-CG2 3.12Å; V330-V333 PolarHBondContact O-N 2.83Å; V330-V333 VanDerWaalsContact O-N 3.14Å; V330-L337 HydrophobicContact CG2-CD2 3.86Å; V330-L359 HydrophobicContact CB-CD1 4.48Å; V330-L359 HydrophobicContact CG1-CD1 3.58Å; V330-L359 HydrophobicContact CG1-CD2 3.87Å; V330-L359 HydrophobicContact CG1-CG 4.39Å; V330-L359 HydrophobicContact CG2-CD1 4.06Å
331	H	96.4	Very high	97.3	Very high	109 Å²	109	31.2 Å²	31.2	51%	0.505	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-67	-16.5	175.2	61.9	-93.9	0	0	0	113.7	H328 Y329	H328-H331 PolarHBondContact O-CE1 3.1Å; Y329-H331 PolarHBondContact O-N 2.83Å
332	N	97.8	Very high	97.3	Very high	85 Å²	85	30.9 Å²	30.9	46%	0.455	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-88.1	-3.2	175.6	-62.3	-35.3	0	0	0	113.1	G223 Q229 Y329 V330 S334	G223-N332 WeakPolarHBondContact O-CB 3.07Å; G223-N332 PolarHBondContact O-ND2 3.41Å; Q229-N332 PolarHBondContact NE2-O 3.44Å; Y329-N332 WeakPolarHBondContact O-CB 3.47Å; Y329-N332 PolarHBondContact O-N 3.42Å; V330-N332 PolarHBondContact O-N 3.48Å; N332-S334 PolarHBondContact O-N 3.31Å
333	V	98.2	Very high	97.4	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.012	15%	0.149	C	C	.	.			trans	-76.4	114	178.5	-178.5	0	0	0	0	109.1	L222 V330 V335 L337 M363 N365	L222-V333 HydrophobicContact CB-CG1 4.38Å; L222-V333 HydrophobicContact CB-CG2 3.83Å; L222-V333 HydrophobicContact CD1-CG1 4.39Å; V330-V333 HydrophobicContact CG2-CG2 4.48Å; V330-V333 WeakPolarHBondContact O-CB 3.25Å; V330-V333 WeakPolarHBondContact O-CG2 3.12Å; V330-V333 PolarHBondContact O-N 2.83Å; V330-V333 VanDerWaalsContact O-N 3.14Å; V333-V335 HydrophobicContact CG1-CG2 3.83Å; V333-L337 HydrophobicContact CG1-CB 4.47Å; V333-L337 HydrophobicContact CG1-CD2 4.39Å; V333-M363 WeakPolarHBondContact O-CE 3.18Å; V333-N365 PolarHBondContact O-ND2 2.64Å
334	S	97.4	Very high	97.4	Very high	73 Å²	73	25.1 Å²	25.1	51%	0.51	14%	0.135	S	C	.	.			trans	-99.1	-20.8	-178.3	59.5	0	0	0	0	114.4	Q229 N332 N365	Q229-S334 PolarHBondContact OE1-OG 2.79Å; N332-S334 PolarHBondContact O-N 3.31Å; S334-N365 PolarHBondContact O-ND2 3.24Å
335	V	98.3	Very high	97.4	Very high	16 Å²	16	25.6 Å²	25.6	10%	0.097	14%	0.138	C	C	.	.	S	Bend	trans	-71.3	154.8	174.8	-61.9	0	0	0	0	110.5	L222 Q229 V232 V333 L337 N365	L222-V335 HydrophobicContact CD1-CG2 4.29Å; Q229-V335 HydrophobicContact CB-CG1 4.15Å; V232-V335 HydrophobicContact CB-CG1 4.19Å; V232-V335 HydrophobicContact CG1-CB 4.44Å; V232-V335 HydrophobicContact CG1-CG1 4.3Å; V232-V335 HydrophobicContact CG1-CG2 4.03Å; V232-V335 VanDerWaalsContact O-CG1 3.29Å; V232-V335 WeakPolarHBondContact O-CG1 3.46Å; V333-V335 HydrophobicContact CG1-CG2 3.83Å; V335-L337 PolarHBondContact O-N 3.43Å; V335-N365 PolarHBondContact O-ND2 2.65Å
336	P	98.6	Very high	97.2	Very high	17 Å²	17	25.7 Å²	25.7	11%	0.11	14%	0.138	C	C	.	.			trans	-49.5	125.9	171.6	-28	34	0	0	0	112.1	L56 L233 C234 C235 N365 I404	L56-P336 HydrophobicContact CD2-CB 4.16Å; L56-P336 HydrophobicContact CD2-CG 3.76Å; L233-P336 VanDerWaalsContact O-CD 3.31Å; L233-P336 WeakPolarHBondContact O-CD 3.44Å; C234-P336 CarbonylContact C-O 3.59Å; C234-P336 WeakPolarHBondContact CA-O 3.45Å; C234-P336 HydrophobicContact CB-CB 4Å; C234-P336 VanDerWaalsContact CB-O 3.29Å; C234-P336 WeakPolarHBondContact CB-O 3.19Å; C235-P336 PolarHBondContact N-O 2.93Å; P336-N365 CarbonylContact C-O 3.54Å; P336-N365 WeakPolarHBondContact CA-O 3.33Å; P336-I404 HydrophobicContact CB-CD1 3.68Å; P336-I404 HydrophobicContact CG-CD1 3.95Å
337	L	98.7	Very high	97	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	115	-175.3	175.2	62.8	0	0	0	110.2	C235 V330 V333 V335 L339 N365 V366 M367	C235-L337 HydrophobicContact CB-CD1 3.68Å; C235-L337 CarbonylContact O-C 3.55Å; C235-L337 WeakPolarHBondContact O-CA 3.17Å; V330-L337 HydrophobicContact CG2-CD2 3.86Å; V333-L337 HydrophobicContact CG1-CB 4.47Å; V333-L337 HydrophobicContact CG1-CD2 4.39Å; V335-L337 PolarHBondContact O-N 3.43Å; L337-L339 HydrophobicContact CD1-CD2 3.86Å; L337-L339 HydrophobicContact CD2-CD1 4.46Å; L337-L339 HydrophobicContact CD2-CD2 4.05Å; L337-L339 HydrophobicContact CD2-CG 4.35Å; L337-L339 HydrophobicContact CG-CD2 3.87Å; L337-L339 HydrophobicContact CG-CG 4.1Å; L337-N365 PolarHBondContact N-O 3.42Å; L337-V366 HydrophobicContact CB-CG2 4.21Å; L337-V366 HydrophobicContact CD2-CG2 4.16Å; L337-V366 WeakPolarHBondContact O-CA 3.31Å; L337-M367 PolarHBondContact O-N 3.47Å
338	L	98.8	Very high	96.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	123.1	171.1	179.2	65.2	0	0	0	109.9	L67 C235 I236 S237 V340 M367 A369 Y400	L67-L338 HydrophobicContact CD2-CD1 4.42Å; C235-L338 PolarHBondContact O-N 3.17Å; I236-L338 CarbonylContact C-O 3.56Å; I236-L338 WeakPolarHBondContact CA-O 3.45Å; I236-L338 HydrophobicContact CG1-CB 4.14Å; I236-L338 HydrophobicContact CG1-CD2 4.42Å; I236-L338 HydrophobicContact CG2-CB 4.2Å; I236-L338 HydrophobicContact CG2-CD2 3.98Å; I236-L338 HydrophobicContact CG2-CG 4.24Å; S237-L338 PolarHBondContact N-O 3.25Å; L338-V340 HydrophobicContact CD1-CG2 4.33Å; L338-V340 HydrophobicContact CD2-CG2 3.92Å; L338-V340 HydrophobicContact CG-CG2 3.78Å; L338-M367 CarbonylContact C-O 3.58Å; L338-M367 WeakPolarHBondContact CA-O 3.41Å; L338-M367 HydrophobicContact CD1-CB 4.13Å; L338-M367 HydrophobicContact CD1-CG 4Å; L338-M367 HydrophobicContact CD1-SD 4.2Å; L338-A369 HydrophobicContact CD1-CB 4.27Å; L338-Y400 HydrophobicContact CB-CD1 4.19Å; L338-Y400 HydrophobicContact CB-CD2 4.36Å; L338-Y400 HydrophobicContact CB-CE1 3.82Å; L338-Y400 HydrophobicContact CB-CE2 3.97Å; L338-Y400 HydrophobicContact CB-CG 4.45Å; L338-Y400 HydrophobicContact CD1-CD2 4.5Å; L338-Y400 HydrophobicContact CD1-CE2 4.28Å; L338-Y400 HydrophobicContact CD2-CD1 4.1Å; L338-Y400 HydrophobicContact CD2-CD2 3.71Å; L338-Y400 HydrophobicContact CD2-CE2 4.13Å; L338-Y400 HydrophobicContact CD2-CG 3.67Å; L338-Y400 HydrophobicContact CG-CD2 4.4Å; L338-Y400 HydrophobicContact CG-CE2 4.34Å
339	L	98.8	Very high	96.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.7	175.1	-59.3	177.7	0	0	0	108.3	Y242 L337 P356 L359 V366 M367 F368 A369	Y242-L339 HydrophobicContact CE1-CD1 3.97Å; Y242-L339 HydrophobicContact CE1-CD2 4.02Å; Y242-L339 HydrophobicContact CE1-CG 4.44Å; L337-L339 HydrophobicContact CD1-CD2 3.86Å; L337-L339 HydrophobicContact CD2-CD1 4.46Å; L337-L339 HydrophobicContact CD2-CD2 4.05Å; L337-L339 HydrophobicContact CD2-CG 4.35Å; L337-L339 HydrophobicContact CG-CD2 3.87Å; L337-L339 HydrophobicContact CG-CG 4.1Å; L339-P356 HydrophobicContact CB-CB 4.23Å; L339-P356 HydrophobicContact CD1-CB 3.62Å; L339-L359 HydrophobicContact CD1-CD1 4.39Å; L339-V366 HydrophobicContact CD1-CG1 3.88Å; L339-V366 HydrophobicContact CG-CG1 4.38Å; L339-M367 PolarHBondContact N-O 3.06Å; L339-F368 HydrophobicContact CB-CB 4.47Å; L339-F368 HydrophobicContact CB-CD2 3.83Å; L339-F368 CarbonylContact O-C 3.58Å; L339-F368 WeakPolarHBondContact O-CA 3.45Å; L339-F368 WeakPolarHBondContact O-CD2 3.28Å; L339-A369 PolarHBondContact O-N 3.37Å
340	V	98.6	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.2	-175.7	-176.9	0	0	0	0	110.2	I236 S237 V238 C239 L338 A369 F379 W392	I236-V340 HydrophobicContact CG2-CG2 4.5Å; S237-V340 PolarHBondContact O-N 3.07Å; V238-V340 CarbonylContact C-O 3.52Å; V238-V340 WeakPolarHBondContact CA-O 3.47Å; V238-V340 HydrophobicContact CG2-CB 4.26Å; C239-V340 PolarHBondContact N-O 3.1Å; L338-V340 HydrophobicContact CD1-CG2 4.33Å; L338-V340 HydrophobicContact CD2-CG2 3.92Å; L338-V340 HydrophobicContact CG-CG2 3.78Å; V340-A369 WeakPolarHBondContact CA-O 3.42Å; V340-A369 HydrophobicContact CG2-CB 4.48Å; V340-F379 HydrophobicContact CG1-CE1 4.26Å; V340-F379 HydrophobicContact CG1-CZ 4.28Å; V340-W392 HydrophobicContact CG1-CH2 4.3Å; V340-W392 HydrophobicContact CG1-CZ3 3.76Å
341	N	98.3	Very high	96.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	169.2	172.1	-73.6	93.4	0	0	0	110.8	Q240 Y242 L353 F368 A369 L370 T371	Q240-N341 PolarHBondContact O-ND2 3.48Å; Y242-N341 PolarHBondContact OH-OD1 2.88Å; N341-L353 HydrophobicContact CB-CD2 3.74Å; N341-F368 HydrophobicContact CB-CE2 3.94Å; N341-F368 HydrophobicContact CB-CZ 4.22Å; N341-A369 PolarHBondContact N-O 3.33Å; N341-L370 HydrophobicContact CB-CD1 4.14Å; N341-L370 WeakPolarHBondContact O-CA 3.44Å; N341-T371 PolarHBondContact O-N 3.33Å; N341-T371 PolarHBondContact O-OG1 2.7Å; N341-T371 VanDerWaalsContact O-OG1 3.11Å
342	S	97.3	Very high	96.4	Very high	1 Å²	1	27 Å²	27	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	144	169.9	56.1	0	0	0	0	110.3	D344 D345 T371 G375	S342-D344 PolarHBondContact O-N 3.49Å; S342-D345 WeakPolarHBondContact O-CB 3.22Å; S342-D345 PolarHBondContact O-N 3.44Å; S342-D345 WeakPolarHBondContact OG-CB 3.21Å; S342-T371 CarbonylContact C-O 3.47Å; S342-T371 VanDerWaalsContact CA-O 3.31Å; S342-T371 WeakPolarHBondContact CA-O 3.35Å; S342-T371 WeakPolarHBondContact CA-OG1 3.42Å; S342-T371 WeakPolarHBondContact CB-OG1 3.26Å; S342-G375 PolarHBondContact OG-N 2.67Å; S342-G375 PolarHBondContact OG-O 2.91Å
343	S	95.8	Very high	96.4	Very high	27 Å²	27	23.7 Å²	23.7	19%	0.189	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-23.3	179.4	-69	0	0	0	0	112.8	L370 T371	S343-L370 WeakPolarHBondContact OG-CD2 3.32Å; S343-L370 WeakPolarHBondContact OG-CG 3.45Å; S343-T371 PolarHBondContact N-O 2.64Å; S343-T371 PolarHBondContact OG-O 3.11Å
344	D	94.9	Very high	96.3	Very high	32 Å²	32	25.6 Å²	25.6	17%	0.171	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	15.3	179.1	74	-12.4	0	0	0	113.8	G81 S342 P346 H373 G374 G375	G81-D344 VanDerWaalsContact CA-OD2 3.26Å; G81-D344 WeakPolarHBondContact CA-OD2 3.47Å; G81-D344 PolarHBondContact N-OD2 2.89Å; G81-D344 VanDerWaalsContact N-OD2 3.08Å; S342-D344 PolarHBondContact O-N 3.49Å; D344-P346 VanDerWaalsContact O-CD 3.3Å; D344-P346 WeakPolarHBondContact O-CD 3.47Å; D344-H373 WeakPolarHBondContact OD1-CA 3.34Å; D344-H373 WeakPolarHBondContact OD2-CA 3.22Å; D344-H373 IonicContact OD2-CG 2.75Å; D344-H373 IonicContact OD2-ND1 3.86Å; D344-H373 PolarHBondContact OD2-ND1 3.37Å; D344-G374 PolarHBondContact OD1-N 2.98Å; D344-G375 PolarHBondContact OD1-N 3.22Å
345	D	95.8	Very high	96.3	Very high	11 Å²	11	22.4 Å²	22.4	6%	0.059	12%	0.118	C	C	.	.			trans	-60.9	116.3	173.6	-169	-39.5	0	0	0	110.5	S342 L347 V348 H376	S342-D345 WeakPolarHBondContact O-CB 3.22Å; S342-D345 PolarHBondContact O-N 3.44Å; S342-D345 WeakPolarHBondContact OG-CB 3.21Å; D345-L347 VanDerWaalsContact C-N 3.26Å; D345-L347 PolarHBondContact O-N 3.41Å; D345-L347 WeakPolarHBondContact OD1-CA 3.42Å; D345-L347 WeakPolarHBondContact OD1-CB 3.24Å; D345-L347 PolarHBondContact OD1-N 3.25Å; D345-V348 HydrophobicContact CB-CB 4.11Å; D345-V348 PolarHBondContact OD1-N 3.48Å; D345-V348 WeakPolarHBondContact OD2-CG2 2.86Å; D345-H376 WeakPolarHBondContact OD1-CB 3.44Å; D345-H376 IonicContact OD1-CG 3Å; D345-H376 IonicContact OD1-ND1 3.91Å; D345-H376 PolarHBondContact OD1-ND1 2.67Å; D345-H376 IonicContact OD2-CE1 3.88Å; D345-H376 IonicContact OD2-CG 2.93Å; D345-H376 IonicContact OD2-ND1 3.58Å; D345-H376 PolarHBondContact OD2-ND1 3.39Å
346	P	93.4	Very high	96.3	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.013	11%	0.114	C	C	.	.	S	Bend	trans	-79.6	-4.2	-178.2	32.3	-33.7	0	0	0	113.6	H82 T85 R258 Y261 D344	H82-P346 WeakPolarHBondContact CE1-CB 3.47Å; T85-P346 HydrophobicContact CG2-CG 4.07Å; T85-P346 VanDerWaalsContact OG1-CD 3.28Å; T85-P346 WeakPolarHBondContact OG1-CD 3.09Å; T85-P346 VanDerWaalsContact OG1-CG 3.22Å; T85-P346 WeakPolarHBondContact OG1-CG 3.36Å; R258-P346 WeakPolarHBondContact CG-O 3.2Å; Y261-P346 HydrophobicContact CD2-CB 4.19Å; Y261-P346 HydrophobicContact CE2-CB 3.63Å; Y261-P346 HydrophobicContact CE2-CG 3.91Å; D344-P346 VanDerWaalsContact O-CD 3.3Å; D344-P346 WeakPolarHBondContact O-CD 3.47Å
347	L	93.1	Very high	96.2	Very high	14 Å²	14	22.7 Å²	22.7	7%	0.073	12%	0.12	C	C	.	.	S	Bend	trans	-105.3	-36.5	176.2	-77.9	71.7	0	0	0	111.6	T85 F251 Y261 L265 D345 H349 H376	T85-L347 HydrophobicContact CG2-CD1 4Å; F251-L347 HydrophobicContact CZ-CB 4.33Å; Y261-L347 HydrophobicContact CD1-CD1 3.78Å; Y261-L347 HydrophobicContact CD2-CD1 4.26Å; Y261-L347 HydrophobicContact CE1-CD1 4.23Å; Y261-L347 HydrophobicContact CG-CD1 3.79Å; L265-L347 HydrophobicContact CD1-CD2 3.79Å; D345-L347 VanDerWaalsContact C-N 3.26Å; D345-L347 PolarHBondContact O-N 3.41Å; D345-L347 WeakPolarHBondContact OD1-CA 3.42Å; D345-L347 WeakPolarHBondContact OD1-CB 3.24Å; D345-L347 PolarHBondContact OD1-N 3.25Å; L347-H349 PolarHBondContact O-N 3.01Å; L347-H376 HydrophobicContact CB-CB 4.48Å; L347-H376 HydrophobicContact CD1-CB 3.9Å
348	V	94.4	Very high	96.1	Very high	10 Å²	10	27.4 Å²	27.4	6%	0.061	14%	0.144	C	C	.	.	S	Bend	trans	-93	101.4	-178.7	-176.8	0	0	0	0	110.4	D345 L352 L353	D345-V348 HydrophobicContact CB-CB 4.11Å; D345-V348 PolarHBondContact OD1-N 3.48Å; D345-V348 WeakPolarHBondContact OD2-CG2 2.86Å; V348-L352 HydrophobicContact CG1-CB 4.17Å; V348-L352 HydrophobicContact CG1-CD1 4.31Å; V348-L353 HydrophobicContact CG1-CD2 3.82Å
349	H	94.4	Very high	96.1	Very high	48 Å²	48	28.4 Å²	28.4	22%	0.222	15%	0.149	C	C	.	.			trans	-64.7	145.2	178.6	-176.4	-112.8	0	0	0	112.7	T250 R258 L347 S351 L352	T250-H349 HydrophobicContact CG2-CB 3.81Å; R258-H349 VanDerWaalsContact CZ-CD2 3.43Å; R258-H349 PolarHBondContact NH2-CD2 3.23Å; R258-H349 PolarHBondContact NH2-NE2 3.11Å; L347-H349 PolarHBondContact O-N 3.01Å; H349-S351 WeakPolarHBondContact ND1-CB 3.41Å; H349-S351 PolarHBondContact ND1-N 2.9Å; H349-S351 PolarHBondContact ND1-OG 2.86Å; H349-S351 PolarHBondContact O-N 3.16Å; H349-L352 VanDerWaalsContact O-CB 3.31Å; H349-L352 WeakPolarHBondContact O-CB 3Å; H349-L352 PolarHBondContact O-N 2.6Å
350	R	92.8	Very high	96	Very high	182 Å²	182	28.4 Å²	28.4	69%	0.687	15%	0.149	S	C	*	.	H	α-helix	trans	-53	-32.4	-179.7	-67.9	-177	-179.8	-169.5	-2	114	L352 L353	R350-L352 PolarHBondContact O-N 2.99Å; R350-L353 WeakPolarHBondContact O-CB 3.35Å; R350-L353 PolarHBondContact O-N 3.25Å; R350-L353 VanDerWaalsContact O-N 3.11Å
351	S	94.1	Very high	95.9	Very high	46 Å²	46	33.9 Å²	33.9	32%	0.322	18%	0.178	S	C	.	.	H	α-helix	trans	-63.7	-26.1	176.9	70.6	0	0	0	0	113.2	R246 H349	R246-S351 PolarHBondContact NH2-O 3.41Å; H349-S351 WeakPolarHBondContact ND1-CB 3.41Å; H349-S351 PolarHBondContact ND1-N 2.9Å; H349-S351 PolarHBondContact ND1-OG 2.86Å; H349-S351 PolarHBondContact O-N 3.16Å
352	L	95.8	Very high	95.8	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-75.7	-29.2	175.9	-60.1	173	0	0	0	111.5	R246 A247 V348 H349 R350 A354 I355 P356	R246-L352 HydrophobicContact CB-CD2 3.65Å; A247-L352 HydrophobicContact CB-CD1 4Å; V348-L352 HydrophobicContact CG1-CB 4.17Å; V348-L352 HydrophobicContact CG1-CD1 4.31Å; H349-L352 VanDerWaalsContact O-CB 3.31Å; H349-L352 WeakPolarHBondContact O-CB 3Å; H349-L352 PolarHBondContact O-N 2.6Å; R350-L352 PolarHBondContact O-N 2.99Å; L352-A354 PolarHBondContact O-N 3.09Å; L352-I355 WeakPolarHBondContact O-CB 3.32Å; L352-I355 WeakPolarHBondContact O-CG1 3.19Å; L352-I355 PolarHBondContact O-N 2.85Å; L352-P356 WeakPolarHBondContact O-CD 3.39Å
353	L	96.8	Very high	95.8	Very high	15 Å²	15	42.1 Å²	42.1	8%	0.079	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-18.2	178	-55	-178.2	0	0	0	113	N341 V348 R350 I355 P356 C357 F368 L370	N341-L353 HydrophobicContact CB-CD2 3.74Å; V348-L353 HydrophobicContact CG1-CD2 3.82Å; R350-L353 WeakPolarHBondContact O-CB 3.35Å; R350-L353 PolarHBondContact O-N 3.25Å; R350-L353 VanDerWaalsContact O-N 3.11Å; L353-I355 PolarHBondContact O-N 3.4Å; L353-P356 WeakPolarHBondContact O-CD 3.17Å; L353-P356 VanDerWaalsContact O-CG 3.24Å; L353-P356 WeakPolarHBondContact O-CG 3.15Å; L353-C357 PolarHBondContact O-N 2.68Å; L353-C357 PolarHBondContact O-SG 2.93Å; L353-F368 HydrophobicContact CD2-CZ 4.42Å; L353-L370 HydrophobicContact CD1-CD1 4Å
354	A	96.4	Very high	95.9	Very high	43 Å²	43	44.4 Å²	44.4	36%	0.355	23%	0.229	S	C	.	.	H	α-helix	trans	-60.8	-27.5	170.5	0	0	0	0	0	112.6	L352 M358	L352-A354 PolarHBondContact O-N 3.09Å; A354-M358 WeakPolarHBondContact O-CB 3.45Å; A354-M358 VanDerWaalsContact O-CG 3.3Å; A354-M358 WeakPolarHBondContact O-CG 3.24Å; A354-M358 PolarHBondContact O-N 2.92Å
355	I	97.1	Very high	96	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-65.2	-59.3	179.8	-59.7	165.6	0	0	0	111.3	Y242 V327 L352 L353 C357 M358 L359	Y242-I355 HydrophobicContact CD1-CG2 4.15Å; Y242-I355 HydrophobicContact CG-CB 4.23Å; Y242-I355 HydrophobicContact CG-CG2 4.06Å; V327-I355 HydrophobicContact CG2-CD1 4.45Å; V327-I355 HydrophobicContact CG2-CG2 3.91Å; L352-I355 WeakPolarHBondContact O-CB 3.32Å; L352-I355 WeakPolarHBondContact O-CG1 3.19Å; L352-I355 PolarHBondContact O-N 2.85Å; L353-I355 PolarHBondContact O-N 3.4Å; I355-C357 VanDerWaalsContact C-N 3.3Å; I355-C357 PolarHBondContact O-N 3.5Å; I355-M358 PolarHBondContact O-N 3.44Å; I355-L359 HydrophobicContact CG2-CD1 3.97Å; I355-L359 WeakPolarHBondContact O-CG 3.08Å; I355-L359 PolarHBondContact O-N 2.76Å
356	P	97.8	Very high	96.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-34.4	178.2	25.4	-36.2	0	0	0	112.8	Y242 L339 L352 L353 L359 A360 F368	Y242-P356 HydrophobicContact CD2-CG 4.37Å; Y242-P356 HydrophobicContact CE1-CB 3.97Å; Y242-P356 HydrophobicContact CE1-CG 4.25Å; Y242-P356 HydrophobicContact CE2-CB 4.24Å; Y242-P356 HydrophobicContact CE2-CG 3.65Å; L339-P356 HydrophobicContact CB-CB 4.23Å; L339-P356 HydrophobicContact CD1-CB 3.62Å; L352-P356 WeakPolarHBondContact O-CD 3.39Å; L353-P356 WeakPolarHBondContact O-CD 3.17Å; L353-P356 VanDerWaalsContact O-CG 3.24Å; L353-P356 WeakPolarHBondContact O-CG 3.15Å; P356-L359 PolarHBondContact O-N 3.44Å; P356-A360 WeakPolarHBondContact O-CB 3.38Å; P356-A360 PolarHBondContact O-N 2.81Å; P356-F368 HydrophobicContact CB-CB 4.34Å; P356-F368 HydrophobicContact CB-CD1 4.17Å; P356-F368 HydrophobicContact CB-CD2 3.6Å; P356-F368 HydrophobicContact CB-CE1 4.4Å; P356-F368 HydrophobicContact CB-CE2 3.86Å; P356-F368 HydrophobicContact CB-CG 3.78Å; P356-F368 HydrophobicContact CB-CZ 4.25Å; P356-F368 HydrophobicContact CG-CD1 4.32Å; P356-F368 HydrophobicContact CG-CD2 4Å; P356-F368 HydrophobicContact CG-CE1 4.06Å; P356-F368 HydrophobicContact CG-CE2 3.72Å; P356-F368 HydrophobicContact CG-CG 4.31Å; P356-F368 HydrophobicContact CG-CZ 3.75Å
357	C	97.3	Very high	96.4	Very high	38 Å²	38	44 Å²	44	26%	0.257	23%	0.227	S	C	.	.	H	α-helix	trans	-57.8	-50.6	173.3	-66.6	0	0	0	0	111.9	I50 L353 I355 L359 A360 D361 F368	I50-C357 HydrophobicContact CD1-CB 4.25Å; I50-C357 VanDerWaalsContact CD1-SG 3.52Å; L353-C357 PolarHBondContact O-N 2.68Å; L353-C357 PolarHBondContact O-SG 2.93Å; I355-C357 VanDerWaalsContact C-N 3.3Å; I355-C357 PolarHBondContact O-N 3.5Å; C357-L359 VanDerWaalsContact C-N 3.32Å; C357-L359 PolarHBondContact O-N 3.44Å; C357-A360 PolarHBondContact O-N 3.41Å; C357-D361 WeakPolarHBondContact O-CB 2.96Å; C357-D361 PolarHBondContact O-N 3.49Å; C357-F368 WeakPolarHBondContact SG-CE1 3.18Å
358	M	97.1	Very high	96.7	Very high	99 Å²	99	43.3 Å²	43.3	49%	0.488	22%	0.223	S	C	.	.	H	α-helix	trans	-65.3	-34.4	179.1	-74.2	-171.1	-60.8	0	0	112.8	A354 I355 K362	A354-M358 WeakPolarHBondContact O-CB 3.45Å; A354-M358 VanDerWaalsContact O-CG 3.3Å; A354-M358 WeakPolarHBondContact O-CG 3.24Å; A354-M358 PolarHBondContact O-N 2.92Å; I355-M358 PolarHBondContact O-N 3.44Å; M358-K362 WeakPolarHBondContact O-CB 3.35Å; M358-K362 VanDerWaalsContact O-CG 3.31Å; M358-K362 WeakPolarHBondContact O-CG 3.5Å; M358-K362 PolarHBondContact O-N 2.93Å
359	L	97.4	Very high	96.9	Very high	22 Å²	22	42.9 Å²	42.9	12%	0.115	22%	0.22	C	C	.	.	H	α-helix	trans	-66.4	-48.6	176.3	-71.2	167.9	0	0	0	110.9	V330 L339 I355 P356 C357 D361 K362 M363 V366	V330-L359 HydrophobicContact CB-CD1 4.48Å; V330-L359 HydrophobicContact CG1-CD1 3.58Å; V330-L359 HydrophobicContact CG1-CD2 3.87Å; V330-L359 HydrophobicContact CG1-CG 4.39Å; V330-L359 HydrophobicContact CG2-CD1 4.06Å; L339-L359 HydrophobicContact CD1-CD1 4.39Å; I355-L359 HydrophobicContact CG2-CD1 3.97Å; I355-L359 WeakPolarHBondContact O-CG 3.08Å; I355-L359 PolarHBondContact O-N 2.76Å; P356-L359 PolarHBondContact O-N 3.44Å; C357-L359 VanDerWaalsContact C-N 3.32Å; C357-L359 PolarHBondContact O-N 3.44Å; L359-D361 VanDerWaalsContact C-N 3.3Å; L359-D361 PolarHBondContact O-N 2.88Å; L359-K362 PolarHBondContact O-N 2.8Å; L359-M363 HydrophobicContact CD2-SD 3.93Å; L359-M363 VanDerWaalsContact O-CB 3.31Å; L359-M363 WeakPolarHBondContact O-CB 3.19Å; L359-M363 PolarHBondContact O-N 3.33Å; L359-V366 HydrophobicContact CB-CG1 4.26Å
360	A	97.6	Very high	97	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.9	-30.6	-179.9	0	0	0	0	0	113.6	I50 Q52 P356 C357 V366 F368	I50-A360 HydrophobicContact CB-CB 4.34Å; I50-A360 HydrophobicContact CG2-CB 3.87Å; I50-A360 WeakPolarHBondContact O-CB 3.35Å; Q52-A360 PolarHBondContact N-O 3.5Å; P356-A360 WeakPolarHBondContact O-CB 3.38Å; P356-A360 PolarHBondContact O-N 2.81Å; C357-A360 PolarHBondContact O-N 3.41Å; A360-V366 HydrophobicContact CB-CG1 4.03Å; A360-F368 HydrophobicContact CB-CB 3.88Å
361	D	96.3	Very high	97.3	Very high	114 Å²	114	32.9 Å²	32.9	61%	0.61	18%	0.182	S	C	*	.	H	α-helix	trans	-71.1	-34.6	173.8	-173	54.5	0	0	0	112.2	Q52 C357 L359	Q52-D361 WeakPolarHBondContact CG-O 3.4Å; Q52-D361 PolarHBondContact NE2-O 3.23Å; C357-D361 WeakPolarHBondContact O-CB 2.96Å; C357-D361 PolarHBondContact O-N 3.49Å; L359-D361 VanDerWaalsContact C-N 3.3Å; L359-D361 PolarHBondContact O-N 2.88Å
362	K	96.3	Very high	97.3	Very high	150 Å²	150	34.5 Å²	34.5	65%	0.652	18%	0.184	S	C	*	.	H	α-helix	trans	-93	-26.7	-175.5	-70.5	179.7	-180	-178.7	0	114.8	Q52 M358 L359	Q52-K362 PolarHBondContact NE2-O 3.28Å; Q52-K362 VanDerWaalsContact NE2-O 3.09Å; M358-K362 WeakPolarHBondContact O-CB 3.35Å; M358-K362 VanDerWaalsContact O-CG 3.31Å; M358-K362 WeakPolarHBondContact O-CG 3.5Å; M358-K362 PolarHBondContact O-N 2.93Å; L359-K362 PolarHBondContact O-N 2.8Å
363	M	97.6	Very high	97.3	Very high	25 Å²	25	34.6 Å²	34.6	12%	0.123	19%	0.185	C	C	.	.			trans	-113.1	125.1	-170.4	-63.2	179.1	67.3	0	0	111.5	V333 L359 N365 V366	V333-M363 WeakPolarHBondContact O-CE 3.18Å; L359-M363 HydrophobicContact CD2-SD 3.93Å; L359-M363 VanDerWaalsContact O-CB 3.31Å; L359-M363 WeakPolarHBondContact O-CB 3.19Å; L359-M363 PolarHBondContact O-N 3.33Å; M363-N365 PolarHBondContact O-N 3.21Å; M363-V366 HydrophobicContact CB-CB 4.02Å; M363-V366 HydrophobicContact CB-CG2 3.53Å; M363-V366 HydrophobicContact CE-CG2 3.97Å; M363-V366 HydrophobicContact CG-CG2 4.28Å; M363-V366 PolarHBondContact O-N 3.23Å; M363-V366 HydrophobicContact SD-CG2 3.87Å
364	P	97.4	Very high	97.2	Very high	74 Å²	74	33.9 Å²	33.9	48%	0.481	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-18.6	-175.8	27.7	-35.3	0	0	0	113.9	T54	T54-P364 HydrophobicContact CG2-CB 3.85Å
365	N	97.7	Very high	97.2	Very high	30 Å²	30	31.8 Å²	31.8	16%	0.16	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	1.7	-180	63.8	-60.6	0	0	0	113.3	V333 S334 V335 P336 L337 M363	V333-N365 PolarHBondContact O-ND2 2.64Å; S334-N365 PolarHBondContact O-ND2 3.24Å; V335-N365 PolarHBondContact O-ND2 2.65Å; P336-N365 CarbonylContact C-O 3.54Å; P336-N365 WeakPolarHBondContact CA-O 3.33Å; L337-N365 PolarHBondContact N-O 3.42Å; M363-N365 PolarHBondContact O-N 3.21Å
366	V	98.5	Very high	97	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132	-177.8	-178.4	0	0	0	0	110.3	L337 L339 L359 A360 M363	L337-V366 HydrophobicContact CB-CG2 4.21Å; L337-V366 HydrophobicContact CD2-CG2 4.16Å; L337-V366 WeakPolarHBondContact O-CA 3.31Å; L339-V366 HydrophobicContact CD1-CG1 3.88Å; L339-V366 HydrophobicContact CG-CG1 4.38Å; L359-V366 HydrophobicContact CB-CG1 4.26Å; A360-V366 HydrophobicContact CB-CG1 4.03Å; M363-V366 HydrophobicContact CB-CB 4.02Å; M363-V366 HydrophobicContact CB-CG2 3.53Å; M363-V366 HydrophobicContact CE-CG2 3.97Å; M363-V366 HydrophobicContact CG-CG2 4.28Å; M363-V366 PolarHBondContact O-N 3.23Å; M363-V366 HydrophobicContact SD-CG2 3.87Å
367	M	98.6	Very high	96.9	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.02	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.9	171.7	-177.1	176.9	-70.8	0	0	109.1	I49 L60 L61 L67 L337 L338 L339 Y400	I49-M367 HydrophobicContact CG2-CE 4.46Å; I49-M367 HydrophobicContact CG2-CG 3.69Å; I49-M367 HydrophobicContact CG2-SD 3.94Å; L60-M367 HydrophobicContact CB-CE 4.11Å; L60-M367 HydrophobicContact CD1-CE 4.27Å; L61-M367 HydrophobicContact CG-CE 4.29Å; L67-M367 HydrophobicContact CD1-SD 3.64Å; L337-M367 PolarHBondContact O-N 3.47Å; L338-M367 CarbonylContact C-O 3.58Å; L338-M367 WeakPolarHBondContact CA-O 3.41Å; L338-M367 HydrophobicContact CD1-CB 4.13Å; L338-M367 HydrophobicContact CD1-CG 4Å; L338-M367 HydrophobicContact CD1-SD 4.2Å; L339-M367 PolarHBondContact N-O 3.06Å; M367-Y400 HydrophobicContact SD-CE2 4.41Å
368	F	98.7	Very high	96.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.9	174.3	176.6	-132.4	0	0	0	110.1	I49 I50 L339 N341 L353 P356 C357 A360 L370	I49-F368 CarbonylContact C-O 3.57Å; I49-F368 WeakPolarHBondContact CA-O 3.5Å; I50-F368 HydrophobicContact CB-CB 4.35Å; I50-F368 HydrophobicContact CB-CD1 4.48Å; I50-F368 HydrophobicContact CD1-CD1 3.95Å; I50-F368 HydrophobicContact CD1-CE1 4.45Å; I50-F368 PolarHBondContact N-O 2.94Å; I50-F368 PolarHBondContact O-N 3.06Å; L339-F368 HydrophobicContact CB-CB 4.47Å; L339-F368 HydrophobicContact CB-CD2 3.83Å; L339-F368 CarbonylContact O-C 3.58Å; L339-F368 WeakPolarHBondContact O-CA 3.45Å; L339-F368 WeakPolarHBondContact O-CD2 3.28Å; N341-F368 HydrophobicContact CB-CE2 3.94Å; N341-F368 HydrophobicContact CB-CZ 4.22Å; L353-F368 HydrophobicContact CD2-CZ 4.42Å; P356-F368 HydrophobicContact CB-CB 4.34Å; P356-F368 HydrophobicContact CB-CD1 4.17Å; P356-F368 HydrophobicContact CB-CD2 3.6Å; P356-F368 HydrophobicContact CB-CE1 4.4Å; P356-F368 HydrophobicContact CB-CE2 3.86Å; P356-F368 HydrophobicContact CB-CG 3.78Å; P356-F368 HydrophobicContact CB-CZ 4.25Å; P356-F368 HydrophobicContact CG-CD1 4.32Å; P356-F368 HydrophobicContact CG-CD2 4Å; P356-F368 HydrophobicContact CG-CE1 4.06Å; P356-F368 HydrophobicContact CG-CE2 3.72Å; P356-F368 HydrophobicContact CG-CG 4.31Å; P356-F368 HydrophobicContact CG-CZ 3.75Å; C357-F368 WeakPolarHBondContact SG-CE1 3.18Å; A360-F368 HydrophobicContact CB-CB 3.88Å; F368-L370 HydrophobicContact CE1-CB 3.97Å; F368-L370 HydrophobicContact CE1-CD2 4.47Å; F368-L370 HydrophobicContact CZ-CB 3.89Å; F368-L370 HydrophobicContact CZ-CD1 4.08Å; F368-L370 HydrophobicContact CZ-CG 4.41Å
369	A	98.5	Very high	96.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	116.3	175.3	0	0	0	0	0	109.8	I49 L67 L338 L339 V340 N341	I49-A369 HydrophobicContact CD1-CB 3.57Å; L67-A369 HydrophobicContact CD2-CB 3.91Å; L338-A369 HydrophobicContact CD1-CB 4.27Å; L339-A369 PolarHBondContact O-N 3.37Å; V340-A369 WeakPolarHBondContact CA-O 3.42Å; V340-A369 HydrophobicContact CG2-CB 4.48Å; N341-A369 PolarHBondContact N-O 3.33Å
370	L	98.2	Very high	96.4	Very high	19 Å²	19	25.3 Å²	25.3	10%	0.099	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	113	177.1	-178.2	63.4	0	0	0	109.8	P47 Q48 N341 S343 L353 F368	P47-L370 CarbonylContact C-O 3.59Å; P47-L370 WeakPolarHBondContact CA-O 3.48Å; Q48-L370 HydrophobicContact CB-CB 4.35Å; Q48-L370 PolarHBondContact N-O 2.89Å; Q48-L370 PolarHBondContact O-N 3.21Å; N341-L370 HydrophobicContact CB-CD1 4.14Å; N341-L370 WeakPolarHBondContact O-CA 3.44Å; S343-L370 WeakPolarHBondContact OG-CD2 3.32Å; S343-L370 WeakPolarHBondContact OG-CG 3.45Å; L353-L370 HydrophobicContact CD1-CD1 4Å; F368-L370 HydrophobicContact CE1-CB 3.97Å; F368-L370 HydrophobicContact CE1-CD2 4.47Å; F368-L370 HydrophobicContact CZ-CB 3.89Å; F368-L370 HydrophobicContact CZ-CD1 4.08Å; F368-L370 HydrophobicContact CZ-CG 4.41Å
371	T	97.6	Very high	96	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	147.6	173.8	53	0	0	0	0	110.5	P47 N341 S342 S343 H373 F379 W392	P47-T371 HydrophobicContact CB-CG2 4.15Å; P47-T371 HydrophobicContact CG-CG2 4.1Å; N341-T371 PolarHBondContact O-N 3.33Å; N341-T371 PolarHBondContact O-OG1 2.7Å; N341-T371 VanDerWaalsContact O-OG1 3.11Å; S342-T371 CarbonylContact C-O 3.47Å; S342-T371 VanDerWaalsContact CA-O 3.31Å; S342-T371 WeakPolarHBondContact CA-O 3.35Å; S342-T371 WeakPolarHBondContact CA-OG1 3.42Å; S342-T371 WeakPolarHBondContact CB-OG1 3.26Å; S343-T371 PolarHBondContact N-O 2.64Å; S343-T371 PolarHBondContact OG-O 3.11Å; T371-H373 VanDerWaalsContact C-N 3.3Å; T371-H373 WeakPolarHBondContact CB-O 3.43Å; T371-H373 PolarHBondContact OG1-O 3.01Å; T371-H373 VanDerWaalsContact OG1-O 3.13Å; T371-F379 HydrophobicContact CG2-CD1 4.46Å; T371-F379 HydrophobicContact CG2-CE1 3.88Å; T371-F379 VanDerWaalsContact OG1-CE1 3.22Å; T371-F379 WeakPolarHBondContact OG1-CE1 3.46Å; T371-W392 HydrophobicContact CG2-CE3 4.31Å; T371-W392 HydrophobicContact CG2-CH2 3.83Å; T371-W392 HydrophobicContact CG2-CZ2 4.12Å; T371-W392 HydrophobicContact CG2-CZ3 3.9Å
372	E	95.8	Very high	95.3	Very high	79 Å²	79	21.3 Å²	21.3	37%	0.369	11%	0.107	S	C	.	.	S	Bend	trans	-67.5	-37.1	174.6	-173.6	59	-159.4	0	0	111.4
373	H	95.8	Very high	94.2	Very high	3 Å²	3	18 Å²	18	1%	0.014	11%	0.108	C	C	.	.	S	Bend	trans	-126.4	149.5	-177.9	-62.1	-51.2	0	0	0	111.3	N39 S42 P43 Y71 P73 K79 D344 T371	N39-H373 PolarHBondContact ND2-CE1 3.05Å; S42-H373 WeakPolarHBondContact CB-NE2 3.46Å; S42-H373 PolarHBondContact OG-CE1 3.42Å; S42-H373 PolarHBondContact OG-NE2 2.81Å; P43-H373 PolarHBondContact O-NE2 3.34Å; Y71-H373 HydrophobicContact CD1-CB 4.3Å; Y71-H373 WeakPolarHBondContact CD1-O 3.24Å; Y71-H373 HydrophobicContact CE1-CB 3.82Å; Y71-H373 WeakPolarHBondContact CE1-O 3.38Å; P73-H373 HydrophobicContact CG-CB 4.35Å; K79-H373 PolarHBondContact O-CE1 3.27Å; K79-H373 PolarHBondContact O-ND1 3.24Å; D344-H373 WeakPolarHBondContact OD1-CA 3.34Å; D344-H373 WeakPolarHBondContact OD2-CA 3.22Å; D344-H373 IonicContact OD2-CG 2.75Å; D344-H373 IonicContact OD2-ND1 3.86Å; D344-H373 PolarHBondContact OD2-ND1 3.37Å; T371-H373 VanDerWaalsContact C-N 3.3Å; T371-H373 WeakPolarHBondContact CB-O 3.43Å; T371-H373 PolarHBondContact OG1-O 3.01Å; T371-H373 VanDerWaalsContact OG1-O 3.13Å
374	G	94.3	Very high	93.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.124	C	C	.	.			trans	167.4	-22.1	174.8	0	0	0	0	0	112.9	Q84 D344 G378 F379	Q84-G374 PolarHBondContact OE1-O 2.85Å; D344-G374 PolarHBondContact OD1-N 2.98Å; G374-G378 CarbonylContact O-C 3.54Å; G374-G378 WeakPolarHBondContact O-CA 3.44Å; G374-G378 PolarHBondContact O-N 2.86Å; G374-G378 VanDerWaalsContact O-N 3.07Å; G374-F379 PolarHBondContact O-N 3.47Å
375	G	94.9	Very high	92.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	-165.4	-167.1	0	0	0	0	0	111.6	G81 S342 D344 M377	G81-G375 WeakPolarHBondContact O-CA 3.05Å; S342-G375 PolarHBondContact OG-N 2.67Å; S342-G375 PolarHBondContact OG-O 2.91Å; D344-G375 PolarHBondContact OD1-N 3.22Å; G375-M377 PolarHBondContact O-N 3.29Å
376	H	94.8	Very high	91.9	Very high	18 Å²	18	27.3 Å²	27.3	8%	0.083	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	109.7	170.9	-162.2	72.7	0	0	0	109.2	T85 S212 C239 D345 L347 G378	T85-H376 HydrophobicContact CG2-CB 3.81Å; T85-H376 PolarHBondContact OG1-N 3.25Å; S212-H376 WeakPolarHBondContact CB-NE2 3.32Å; S212-H376 PolarHBondContact OG-CE1 3.19Å; S212-H376 VanDerWaalsContact OG-CE1 3.31Å; S212-H376 PolarHBondContact OG-NE2 2.92Å; C239-H376 PolarHBondContact O-CE1 2.9Å; C239-H376 VanDerWaalsContact O-CE1 3.26Å; D345-H376 WeakPolarHBondContact OD1-CB 3.44Å; D345-H376 IonicContact OD1-CG 3Å; D345-H376 IonicContact OD1-ND1 3.91Å; D345-H376 PolarHBondContact OD1-ND1 2.67Å; D345-H376 IonicContact OD2-CE1 3.88Å; D345-H376 IonicContact OD2-CG 2.93Å; D345-H376 IonicContact OD2-ND1 3.58Å; D345-H376 PolarHBondContact OD2-ND1 3.39Å; L347-H376 HydrophobicContact CB-CB 4.48Å; L347-H376 HydrophobicContact CD1-CB 3.9Å; H376-G378 PolarHBondContact O-N 2.78Å
377	M	94.2	Very high	91.3	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.02	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	14.6	176.2	-60.8	-71.6	-56	0	0	115.6	Y88 Y147 F211 V238 C239 G375 M393	Y88-M377 HydrophobicContact CD1-CB 3.84Å; Y88-M377 HydrophobicContact CD2-CB 4.18Å; Y88-M377 WeakPolarHBondContact CD2-O 3.42Å; Y88-M377 HydrophobicContact CE1-CB 3.52Å; Y88-M377 HydrophobicContact CE1-CG 4.24Å; Y88-M377 HydrophobicContact CE2-CB 3.84Å; Y88-M377 WeakPolarHBondContact CE2-O 3.23Å; Y88-M377 HydrophobicContact CG-CB 4.15Å; Y147-M377 HydrophobicContact CD2-CE 3.89Å; Y147-M377 HydrophobicContact CE2-CE 3.74Å; F211-M377 HydrophobicContact CB-CE 3.76Å; F211-M377 HydrophobicContact CB-SD 4.07Å; F211-M377 HydrophobicContact CD1-CE 3.5Å; F211-M377 VanDerWaalsContact CD1-CE 3.5Å; F211-M377 HydrophobicContact CD1-SD 4.1Å; F211-M377 HydrophobicContact CE1-CE 4.33Å; F211-M377 HydrophobicContact CG-CE 3.88Å; V238-M377 HydrophobicContact CG1-SD 4.29Å; C239-M377 HydrophobicContact CB-CG 4.19Å; C239-M377 HydrophobicContact CB-SD 3.95Å; C239-M377 PolarHBondContact SG-N 2.75Å; C239-M377 VanDerWaalsContact SG-N 3.38Å; G375-M377 PolarHBondContact O-N 3.29Å; M377-M393 HydrophobicContact CE-SD 3.9Å; M377-M393 WeakPolarHBondContact O-CE 3.47Å; M377-M393 HydrophobicContact SD-SD 4.47Å
378	G	92.9	Very high	90.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-69.8	179.5	0	0	0	0	0	112.8	G374 H376 F380 T391	G374-G378 CarbonylContact O-C 3.54Å; G374-G378 WeakPolarHBondContact O-CA 3.44Å; G374-G378 PolarHBondContact O-N 2.86Å; G374-G378 VanDerWaalsContact O-N 3.07Å; H376-G378 PolarHBondContact O-N 2.78Å; G378-F380 PolarHBondContact O-N 3.39Å; G378-T391 VanDerWaalsContact O-CG2 3.32Å; G378-T391 WeakPolarHBondContact O-CG2 3.3Å
379	F	94.7	Very high	90.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.			trans	43.6	31.1	179.5	-66.3	-97.1	0	0	0	114.8	Y71 C239 V340 T371 G374 T391 W392 M393	Y71-F379 WeakPolarHBondContact OH-CA 3.35Å; C239-F379 WeakPolarHBondContact SG-CE2 3.35Å; V340-F379 HydrophobicContact CG1-CE1 4.26Å; V340-F379 HydrophobicContact CG1-CZ 4.28Å; T371-F379 HydrophobicContact CG2-CD1 4.46Å; T371-F379 HydrophobicContact CG2-CE1 3.88Å; T371-F379 VanDerWaalsContact OG1-CE1 3.22Å; T371-F379 WeakPolarHBondContact OG1-CE1 3.46Å; G374-F379 PolarHBondContact O-N 3.47Å; F379-T391 WeakPolarHBondContact O-CA 3.36Å; F379-T391 WeakPolarHBondContact O-CB 3.24Å; F379-W392 HydrophobicContact CB-CB 4.31Å; F379-W392 HydrophobicContact CD1-CD2 4.31Å; F379-W392 AromaticContact CD1-CE3 3.43Å; F379-W392 HydrophobicContact CD1-CE3 3.43Å; F379-W392 VanDerWaalsContact CD1-CE3 3.43Å; F379-W392 AromaticContact CD1-CZ3 3.95Å; F379-W392 HydrophobicContact CD1-CZ3 3.95Å; F379-W392 AromaticContact CE1-CE3 3.86Å; F379-W392 HydrophobicContact CE1-CE3 3.86Å; F379-W392 AromaticContact CE1-CZ3 3.88Å; F379-W392 HydrophobicContact CE1-CZ3 3.88Å; F379-W392 HydrophobicContact CG-CE3 4.38Å; F379-W392 PolarHBondContact O-N 3.13Å; F379-M393 HydrophobicContact CB-CB 3.9Å; F379-M393 HydrophobicContact CB-CE 3.84Å; F379-M393 HydrophobicContact CD1-CB 4.45Å; F379-M393 HydrophobicContact CD2-CB 4.22Å; F379-M393 HydrophobicContact CD2-CE 3.96Å; F379-M393 HydrophobicContact CG-CB 3.92Å; F379-M393 HydrophobicContact CG-CE 4.29Å
380	F	93.6	Very high	89.9	Confident	6 Å²	6	37.7 Å²	37.7	3%	0.026	21%	0.205	C	C	.	.			trans	-65.7	136	-176.1	-69.7	-76.1	0	0	0	111.2	Y71 P73 P74 W77 Q84 L87 G378 P387 T391	Y71-F380 PolarHBondContact OH-N 2.99Å; Y71-F380 VanDerWaalsContact OH-N 3.11Å; Y71-F380 PolarHBondContact OH-O 3.47Å; P73-F380 VanDerWaalsContact CA-O 3.26Å; P73-F380 WeakPolarHBondContact CA-O 3.45Å; P74-F380 WeakPolarHBondContact CD-O 3.42Å; P74-F380 HydrophobicContact CG-CB 4.29Å; W77-F380 HydrophobicContact CH2-CB 3.87Å; W77-F380 HydrophobicContact CH2-CD1 4.47Å; W77-F380 AromaticContact CH2-CD2 3.85Å; W77-F380 HydrophobicContact CH2-CD2 3.85Å; W77-F380 AromaticContact CH2-CG 3.82Å; W77-F380 HydrophobicContact CH2-CG 3.82Å; W77-F380 HydrophobicContact CZ3-CB 4.29Å; W77-F380 AromaticContact CZ3-CD2 3.86Å; W77-F380 HydrophobicContact CZ3-CD2 3.86Å; W77-F380 HydrophobicContact CZ3-CG 4.24Å; Q84-F380 HydrophobicContact CB-CD2 4.41Å; Q84-F380 HydrophobicContact CG-CD2 4.32Å; Q84-F380 VanDerWaalsContact OE1-N 3.11Å; L87-F380 HydrophobicContact CB-CE2 4.37Å; G378-F380 PolarHBondContact O-N 3.39Å; F380-P387 HydrophobicContact CB-CB 4.03Å; F380-P387 HydrophobicContact CD1-CB 3.7Å; F380-P387 HydrophobicContact CD1-CG 4.13Å; F380-P387 HydrophobicContact CG-CB 4.17Å; F380-T391 HydrophobicContact CD1-CG2 4.12Å
381	E	90.3	Very high	89.7	Confident	25 Å²	25	36.8 Å²	36.8	12%	0.117	20%	0.2	C	C	.	.			trans	-109.4	150.8	171.4	-67	-177.4	121.1	0	0	110	Y71 P387 H388 W392 K395	Y71-E381 HydrophobicContact CD2-CG 4.09Å; Y71-E381 HydrophobicContact CE2-CG 3.74Å; E381-P387 CarbonylContact O-C 3.57Å; E381-P387 VanDerWaalsContact O-CA 3.23Å; E381-P387 WeakPolarHBondContact O-CA 3.31Å; E381-H388 PolarHBondContact O-CD2 2.97Å; E381-H388 PolarHBondContact O-N 3.31Å; E381-W392 HydrophobicContact CG-CB 3.88Å; E381-K395 WeakPolarHBondContact OE2-CD 3.3Å; E381-K395 WeakPolarHBondContact OE2-CE 3.31Å; E381-K395 IonicContact OE2-NZ 3.86Å; E381-K395 PolarHBondContact OE2-NZ 2.95Å
382	G	81.8	Confident	89.7	Confident	5 Å²	5	36.9 Å²	36.9	5%	0.052	20%	0.2	C	C	.	.			trans	165.1	157.2	175	0	0	0	0	0	113	P74	P74-G382 WeakPolarHBondContact CA-O 3.01Å
383	A	72.8	Confident	89.6	Confident	81 Å²	81	33.1 Å²	33.1	67%	0.669	18%	0.183	S	C	*	.	S	Bend	trans	-68	-51.4	-172.7	0	0	0	0	0	113.4
384	V	79.3	Confident	89.6	Confident	76 Å²	76	33 Å²	33	46%	0.461	18%	0.182	S	C	.	.	S	Bend	trans	-137.4	-69.7	-170.6	-173.8	0	0	0	0	112.8	L75 I76	L75-V384 PolarHBondContact N-O 3.38Å; I76-V384 HydrophobicContact CD1-CG1 3.78Å; I76-V384 HydrophobicContact CG1-CG1 4.17Å; I76-V384 PolarHBondContact N-O 3.4Å
385	L	81.9	Confident	89.8	Confident	82 Å²	82	35.5 Å²	35.5	43%	0.429	19%	0.193	S	C	.	.	S	Bend	trans	-115.9	-43.5	-173.8	-174.3	67	0	0	0	112.9	I76 W77	I76-L385 HydrophobicContact CD1-CD1 4.27Å; W77-L385 PolarHBondContact NE1-O 2.98Å
386	F	83.6	Confident	89.9	Confident	167 Å²	167	35.5 Å²	35.5	73%	0.732	19%	0.193	S	C	*	.	S	Bend	trans	-93.4	127.5	-175.1	-60.4	-71.7	0	0	0	110.6
387	P	85.8	Confident	90.1	Very high	22 Å²	22	34.7 Å²	34.7	14%	0.143	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-77.7	152	176.6	33.4	-32.2	0	0	0	110.5	P74 W77 V94 F380 E381	P74-P387 HydrophobicContact CG-CB 4.2Å; W77-P387 HydrophobicContact CH2-CB 4.22Å; W77-P387 HydrophobicContact CH2-CG 4.26Å; W77-P387 HydrophobicContact CZ2-CB 4.16Å; W77-P387 HydrophobicContact CZ2-CG 4.05Å; V94-P387 HydrophobicContact CG2-CG 3.77Å; F380-P387 HydrophobicContact CB-CB 4.03Å; F380-P387 HydrophobicContact CD1-CB 3.7Å; F380-P387 HydrophobicContact CD1-CG 4.13Å; F380-P387 HydrophobicContact CG-CB 4.17Å; E381-P387 CarbonylContact O-C 3.57Å; E381-P387 VanDerWaalsContact O-CA 3.23Å; E381-P387 WeakPolarHBondContact O-CA 3.31Å
388	H	88.8	Confident	90.3	Very high	98 Å²	98	34.5 Å²	34.5	45%	0.454	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-66.2	152.2	166.2	-65	-55.8	0	0	0	110.5	E381 L390	E381-H388 PolarHBondContact O-CD2 2.97Å; E381-H388 PolarHBondContact O-N 3.31Å; H388-L390 VanDerWaalsContact C-N 3.31Å; H388-L390 PolarHBondContact O-N 3.47Å
389	P	86.4	Confident	90.5	Very high	60 Å²	60	37 Å²	37	39%	0.39	20%	0.2	S	C	.	.	S	Bend	trans	-59.8	-42	175.3	-26	35.5	0	0	0	112.9	V94	V94-P389 WeakPolarHBondContact O-CB 3.06Å
390	L	91.8	Very high	90.7	Very high	45 Å²	45	37 Å²	37	24%	0.236	20%	0.2	C	C	.	.	S	Bend	trans	-85.2	135.8	174.1	-65	174.8	0	0	0	110.3	T150 Y154 H388 D394	T150-L390 HydrophobicContact CG2-CD2 4Å; Y154-L390 HydrophobicContact CD1-CD2 4.38Å; Y154-L390 HydrophobicContact CD2-CD1 3.53Å; Y154-L390 HydrophobicContact CD2-CD2 3.97Å; Y154-L390 HydrophobicContact CD2-CG 4.42Å; Y154-L390 HydrophobicContact CE2-CD1 3.65Å; Y154-L390 HydrophobicContact CG-CD1 4.17Å; Y154-L390 HydrophobicContact CG-CD2 3.78Å; H388-L390 VanDerWaalsContact C-N 3.31Å; H388-L390 PolarHBondContact O-N 3.47Å; L390-D394 HydrophobicContact CD2-CB 4.42Å
391	T	93.9	Very high	90.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.199	C	C	.	.			trans	-95.7	166.8	176.4	60.7	0	0	0	0	110.9	R93 G378 F379 F380 M393 D394 K395	R93-T391 PolarHBondContact NH1-OG1 3.42Å; R93-T391 PolarHBondContact NH2-OG1 3.39Å; R93-T391 VanDerWaalsContact NH2-OG1 3.08Å; G378-T391 VanDerWaalsContact O-CG2 3.32Å; G378-T391 WeakPolarHBondContact O-CG2 3.3Å; F379-T391 WeakPolarHBondContact O-CA 3.36Å; F379-T391 WeakPolarHBondContact O-CB 3.24Å; F380-T391 HydrophobicContact CD1-CG2 4.12Å; T391-M393 HydrophobicContact CG2-CE 4.29Å; T391-M393 PolarHBondContact O-N 2.76Å; T391-D394 PolarHBondContact N-OD2 3.11Å; T391-D394 PolarHBondContact O-N 2.92Å; T391-D394 PolarHBondContact OG1-N 3.23Å; T391-D394 PolarHBondContact OG1-OD1 3.24Å; T391-D394 PolarHBondContact OG1-OD2 3.24Å; T391-K395 PolarHBondContact O-N 2.95Å
392	W	95.8	Very high	91.3	Very high	3 Å²	3	37 Å²	37	1%	0.011	20%	0.201	C	C	.	.	H	α-helix	trans	-58	-37.1	171.1	-178.8	99.8	0	0	0	111.1	P47 M66 Y71 V340 T371 F379 E381 D394 K395 V396	P47-W392 HydrophobicContact CB-CZ2 4.44Å; P47-W392 HydrophobicContact CG-CH2 4.3Å; P47-W392 HydrophobicContact CG-CZ2 3.57Å; M66-W392 HydrophobicContact CE-CB 3.96Å; M66-W392 HydrophobicContact CE-CD2 3.81Å; M66-W392 HydrophobicContact CE-CG 3.34Å; M66-W392 VanDerWaalsContact CE-NE1 3.32Å; M66-W392 WeakPolarHBondContact CE-O 3.39Å; M66-W392 VanDerWaalsContact O-CZ2 3.27Å; M66-W392 WeakPolarHBondContact O-CZ2 3.34Å; M66-W392 PolarHBondContact O-NE1 3.49Å; Y71-W392 HydrophobicContact CD2-CB 3.51Å; Y71-W392 AromaticContact CD2-CD1 3.48Å; Y71-W392 VanDerWaalsContact CD2-CD1 3.48Å; Y71-W392 HydrophobicContact CD2-CD2 4.44Å; Y71-W392 AromaticContact CD2-CG 3.54Å; Y71-W392 HydrophobicContact CD2-CG 3.54Å; Y71-W392 HydrophobicContact CE2-CB 3.54Å; Y71-W392 HydrophobicContact CE2-CG 4.07Å; Y71-W392 HydrophobicContact CG-CG 4.23Å; V340-W392 HydrophobicContact CG1-CH2 4.3Å; V340-W392 HydrophobicContact CG1-CZ3 3.76Å; T371-W392 HydrophobicContact CG2-CE3 4.31Å; T371-W392 HydrophobicContact CG2-CH2 3.83Å; T371-W392 HydrophobicContact CG2-CZ2 4.12Å; T371-W392 HydrophobicContact CG2-CZ3 3.9Å; F379-W392 HydrophobicContact CB-CB 4.31Å; F379-W392 HydrophobicContact CD1-CD2 4.31Å; F379-W392 AromaticContact CD1-CE3 3.43Å; F379-W392 HydrophobicContact CD1-CE3 3.43Å; F379-W392 VanDerWaalsContact CD1-CE3 3.43Å; F379-W392 AromaticContact CD1-CZ3 3.95Å; F379-W392 HydrophobicContact CD1-CZ3 3.95Å; F379-W392 AromaticContact CE1-CE3 3.86Å; F379-W392 HydrophobicContact CE1-CE3 3.86Å; F379-W392 AromaticContact CE1-CZ3 3.88Å; F379-W392 HydrophobicContact CE1-CZ3 3.88Å; F379-W392 HydrophobicContact CG-CE3 4.38Å; F379-W392 PolarHBondContact O-N 3.13Å; E381-W392 HydrophobicContact CG-CB 3.88Å; W392-D394 PolarHBondContact O-N 3.41Å; W392-K395 PolarHBondContact O-N 2.59Å; W392-V396 HydrophobicContact CE3-CB 4.38Å; W392-V396 HydrophobicContact CE3-CG1 3.9Å; W392-V396 HydrophobicContact CH2-CB 4.05Å; W392-V396 HydrophobicContact CH2-CG1 3.88Å; W392-V396 HydrophobicContact CH2-CG2 3.94Å; W392-V396 HydrophobicContact CZ2-CB 4.2Å; W392-V396 HydrophobicContact CZ2-CG1 4.48Å; W392-V396 HydrophobicContact CZ2-CG2 4.1Å; W392-V396 HydrophobicContact CZ3-CB 4.16Å; W392-V396 HydrophobicContact CZ3-CG1 3.57Å; W392-V396 HydrophobicContact CZ3-CG2 4.48Å; W392-V396 PolarHBondContact O-N 2.95Å
393	M	95.4	Very high	92.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-40	-179.5	103.4	-171.5	75.1	0	0	112.5	F211 V238 M377 F379 T391 K395 V396 I397	F211-M393 HydrophobicContact CE1-SD 4.24Å; V238-M393 HydrophobicContact CG1-SD 4.27Å; M377-M393 HydrophobicContact CE-SD 3.9Å; M377-M393 WeakPolarHBondContact O-CE 3.47Å; M377-M393 HydrophobicContact SD-SD 4.47Å; F379-M393 HydrophobicContact CB-CB 3.9Å; F379-M393 HydrophobicContact CB-CE 3.84Å; F379-M393 HydrophobicContact CD1-CB 4.45Å; F379-M393 HydrophobicContact CD2-CB 4.22Å; F379-M393 HydrophobicContact CD2-CE 3.96Å; F379-M393 HydrophobicContact CG-CB 3.92Å; F379-M393 HydrophobicContact CG-CE 4.29Å; T391-M393 HydrophobicContact CG2-CE 4.29Å; T391-M393 PolarHBondContact O-N 2.76Å; M393-K395 VanDerWaalsContact C-N 3.33Å; M393-K395 PolarHBondContact O-N 2.71Å; M393-V396 WeakPolarHBondContact O-CG1 3.35Å; M393-I397 VanDerWaalsContact O-CD1 3.22Å; M393-I397 WeakPolarHBondContact O-CD1 3.12Å; M393-I397 WeakPolarHBondContact O-CG1 3.49Å; M393-I397 PolarHBondContact O-N 2.95Å
394	D	96	Very high	93.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.7	-41.7	-178.5	-45.3	-53.4	0	0	0	110.2	R93 F151 Y154 L390 T391 W392 V398	R93-D394 IonicContact CZ-OD1 3.31Å; R93-D394 IonicContact CZ-OD2 2.71Å; R93-D394 IonicContact NH1-OD1 3.58Å; R93-D394 PolarHBondContact NH1-OD1 3.09Å; R93-D394 IonicContact NH1-OD2 3.47Å; R93-D394 PolarHBondContact NH1-OD2 3.12Å; R93-D394 IonicContact NH2-OD1 2.63Å; R93-D394 PolarHBondContact NH2-OD1 3.4Å; R93-D394 IonicContact NH2-OD2 3.52Å; R93-D394 PolarHBondContact NH2-OD2 3.49Å; F151-D394 HydrophobicContact CD2-CB 4.06Å; Y154-D394 HydrophobicContact CD1-CB 4.36Å; L390-D394 HydrophobicContact CD2-CB 4.42Å; T391-D394 PolarHBondContact N-OD2 3.11Å; T391-D394 PolarHBondContact O-N 2.92Å; T391-D394 PolarHBondContact OG1-N 3.23Å; T391-D394 PolarHBondContact OG1-OD1 3.24Å; T391-D394 PolarHBondContact OG1-OD2 3.24Å; W392-D394 PolarHBondContact O-N 3.41Å; D394-V398 PolarHBondContact O-N 3.34Å
395	K	97.3	Very high	94.1	Very high	54 Å²	54	29.7 Å²	29.7	24%	0.235	15%	0.148	C	C	.	.	H	α-helix	trans	-66.2	-47	-179.7	-70.1	173.4	-173.7	173.3	0	111.6	M66 E381 T391 W392 M393 I397 V398 E399	M66-K395 HydrophobicContact CE-CB 3.58Å; M66-K395 HydrophobicContact CE-CD 4.3Å; M66-K395 HydrophobicContact CG-CB 4.33Å; M66-K395 HydrophobicContact SD-CB 4.04Å; M66-K395 HydrophobicContact SD-CD 4.44Å; E381-K395 WeakPolarHBondContact OE2-CD 3.3Å; E381-K395 WeakPolarHBondContact OE2-CE 3.31Å; E381-K395 IonicContact OE2-NZ 3.86Å; E381-K395 PolarHBondContact OE2-NZ 2.95Å; T391-K395 PolarHBondContact O-N 2.95Å; W392-K395 PolarHBondContact O-N 2.59Å; M393-K395 VanDerWaalsContact C-N 3.33Å; M393-K395 PolarHBondContact O-N 2.71Å; K395-I397 VanDerWaalsContact C-N 3.34Å; K395-I397 PolarHBondContact O-N 3.24Å; K395-V398 PolarHBondContact O-N 3.33Å; K395-E399 VanDerWaalsContact O-CB 3.24Å; K395-E399 WeakPolarHBondContact O-CB 3.49Å; K395-E399 PolarHBondContact O-N 2.85Å
396	V	98.1	Very high	94.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.7	-37.3	-179.2	73.3	0	0	0	0	111.9	M66 L67 W392 M393 Y400	M66-V396 HydrophobicContact CB-CB 3.82Å; M66-V396 HydrophobicContact CB-CG2 3.77Å; M66-V396 HydrophobicContact CE-CB 4.29Å; M66-V396 HydrophobicContact CG-CB 4.39Å; L67-V396 HydrophobicContact CD2-CG2 3.8Å; L67-V396 HydrophobicContact CG-CG2 4.21Å; W392-V396 HydrophobicContact CE3-CB 4.38Å; W392-V396 HydrophobicContact CE3-CG1 3.9Å; W392-V396 HydrophobicContact CH2-CB 4.05Å; W392-V396 HydrophobicContact CH2-CG1 3.88Å; W392-V396 HydrophobicContact CH2-CG2 3.94Å; W392-V396 HydrophobicContact CZ2-CB 4.2Å; W392-V396 HydrophobicContact CZ2-CG1 4.48Å; W392-V396 HydrophobicContact CZ2-CG2 4.1Å; W392-V396 HydrophobicContact CZ3-CB 4.16Å; W392-V396 HydrophobicContact CZ3-CG1 3.57Å; W392-V396 HydrophobicContact CZ3-CG2 4.48Å; W392-V396 PolarHBondContact O-N 2.95Å; M393-V396 WeakPolarHBondContact O-CG1 3.35Å; V396-Y400 WeakPolarHBondContact O-CB 3.38Å; V396-Y400 PolarHBondContact O-N 3.44Å
397	I	98.4	Very high	95.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.7	-50.1	178.4	-65.5	159.9	0	0	0	109.9	F151 V209 F211 I236 V238 M393 K395 T401	F151-I397 HydrophobicContact CD2-CD1 4.44Å; F151-I397 HydrophobicContact CE2-CB 3.89Å; F151-I397 HydrophobicContact CE2-CD1 3.91Å; F151-I397 HydrophobicContact CE2-CG2 3.76Å; F151-I397 HydrophobicContact CZ-CB 4.17Å; F151-I397 HydrophobicContact CZ-CD1 4.22Å; F151-I397 HydrophobicContact CZ-CG2 3.52Å; V209-I397 HydrophobicContact CG1-CD1 4.2Å; V209-I397 HydrophobicContact CG1-CG2 4.17Å; V209-I397 HydrophobicContact CG2-CG2 4Å; F211-I397 HydrophobicContact CE1-CD1 3.62Å; F211-I397 HydrophobicContact CZ-CD1 3.77Å; I236-I397 HydrophobicContact CB-CG2 4.47Å; I236-I397 HydrophobicContact CD1-CG2 4.4Å; I236-I397 HydrophobicContact CG1-CG2 4.49Å; I236-I397 HydrophobicContact CG2-CG1 3.92Å; V238-I397 HydrophobicContact CG2-CD1 4.02Å; V238-I397 HydrophobicContact CG2-CG1 4.26Å; M393-I397 VanDerWaalsContact O-CD1 3.22Å; M393-I397 WeakPolarHBondContact O-CD1 3.12Å; M393-I397 WeakPolarHBondContact O-CG1 3.49Å; M393-I397 PolarHBondContact O-N 2.95Å; K395-I397 VanDerWaalsContact C-N 3.34Å; K395-I397 PolarHBondContact O-N 3.24Å; I397-T401 WeakPolarHBondContact O-CB 3.49Å; I397-T401 PolarHBondContact O-N 3.06Å; I397-T401 PolarHBondContact O-OG1 2.66Å
398	V	98.1	Very high	95.9	Very high	1 Å²	1	25 Å²	25	1%	0.006	12%	0.122	C	C	.	.	H	α-helix	trans	-68.9	-44.3	-177.8	-179	0	0	0	0	111.3	M133 F151 Y154 Q158 Y160 D394 K395 Y400 T401 D402	M133-V398 HydrophobicContact CE-CG2 4.28Å; F151-V398 HydrophobicContact CE2-CG2 4.03Å; Y154-V398 HydrophobicContact CD1-CB 4.39Å; Y154-V398 HydrophobicContact CD1-CG2 3.63Å; Y154-V398 HydrophobicContact CE1-CB 3.77Å; Y154-V398 HydrophobicContact CE1-CG1 4.31Å; Y154-V398 HydrophobicContact CE1-CG2 3.53Å; Q158-V398 HydrophobicContact CB-CG1 4Å; Q158-V398 HydrophobicContact CG-CG1 3.86Å; Y160-V398 HydrophobicContact CD2-CG1 4.49Å; Y160-V398 HydrophobicContact CE2-CG1 3.79Å; D394-V398 PolarHBondContact O-N 3.34Å; K395-V398 PolarHBondContact O-N 3.33Å; V398-Y400 PolarHBondContact O-N 3.34Å; V398-T401 WeakPolarHBondContact O-CB 3.39Å; V398-T401 PolarHBondContact O-N 3.02Å; V398-T401 VanDerWaalsContact O-N 3.14Å; V398-D402 PolarHBondContact O-N 3.24Å
399	E	97.8	Very high	96	Very high	51 Å²	51	24.7 Å²	24.7	24%	0.238	12%	0.12	C	C	.	.	H	α-helix	trans	-65.9	-38.9	-178.8	-165.9	-176	97.9	0	0	112.5	C64 P65 M66 K395 T401 A403	C64-E399 WeakPolarHBondContact CA-OE1 3.37Å; C64-E399 HydrophobicContact CB-CG 4.38Å; C64-E399 PolarHBondContact SG-OE1 2.76Å; P65-E399 WeakPolarHBondContact CD-OE1 3.46Å; M66-E399 WeakPolarHBondContact CG-OE1 3.34Å; M66-E399 WeakPolarHBondContact CG-OE2 3.34Å; M66-E399 PolarHBondContact N-OE1 3.26Å; K395-E399 VanDerWaalsContact O-CB 3.24Å; K395-E399 WeakPolarHBondContact O-CB 3.49Å; K395-E399 PolarHBondContact O-N 2.85Å; E399-T401 VanDerWaalsContact C-N 3.34Å; E399-A403 WeakPolarHBondContact O-CB 3.31Å; E399-A403 PolarHBondContact O-N 3.26Å
400	Y	98.6	Very high	96.3	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-42.9	171.9	-179.6	-91.5	0	0	0	111.3	L60 L67 C234 I236 L338 M367 V396 V398 A403 I404	L60-Y400 HydrophobicContact CB-CE2 4.5Å; L60-Y400 HydrophobicContact CD1-CE2 3.71Å; L60-Y400 HydrophobicContact CD2-CD2 4.17Å; L60-Y400 HydrophobicContact CD2-CE2 3.93Å; L60-Y400 HydrophobicContact CG-CE2 4.25Å; L67-Y400 HydrophobicContact CD1-CD2 4.14Å; C234-Y400 HydrophobicContact CB-CE1 4.16Å; I236-Y400 HydrophobicContact CD1-CD1 4.17Å; I236-Y400 HydrophobicContact CG1-CD1 3.84Å; I236-Y400 HydrophobicContact CG1-CE1 4.24Å; L338-Y400 HydrophobicContact CB-CD1 4.19Å; L338-Y400 HydrophobicContact CB-CD2 4.36Å; L338-Y400 HydrophobicContact CB-CE1 3.82Å; L338-Y400 HydrophobicContact CB-CE2 3.97Å; L338-Y400 HydrophobicContact CB-CG 4.45Å; L338-Y400 HydrophobicContact CD1-CD2 4.5Å; L338-Y400 HydrophobicContact CD1-CE2 4.28Å; L338-Y400 HydrophobicContact CD2-CD1 4.1Å; L338-Y400 HydrophobicContact CD2-CD2 3.71Å; L338-Y400 HydrophobicContact CD2-CE2 4.13Å; L338-Y400 HydrophobicContact CD2-CG 3.67Å; L338-Y400 HydrophobicContact CG-CD2 4.4Å; L338-Y400 HydrophobicContact CG-CE2 4.34Å; M367-Y400 HydrophobicContact SD-CE2 4.41Å; V396-Y400 WeakPolarHBondContact O-CB 3.38Å; V396-Y400 PolarHBondContact O-N 3.44Å; V398-Y400 PolarHBondContact O-N 3.34Å; Y400-A403 PolarHBondContact O-N 2.94Å; Y400-I404 HydrophobicContact CD1-CG1 4.1Å; Y400-I404 HydrophobicContact CE1-CD1 4.22Å; Y400-I404 HydrophobicContact CE1-CG1 3.7Å; Y400-I404 WeakPolarHBondContact O-CG1 3.49Å; Y400-I404 PolarHBondContact O-N 3.47Å
401	T	98.2	Very high	96.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-46.9	178.5	-57.6	0	0	0	0	111.3	M133 Y160 V207 I397 V398 E399 A403 I404 C405	M133-T401 HydrophobicContact CE-CG2 3.99Å; Y160-T401 HydrophobicContact CE1-CG2 3.58Å; Y160-T401 VanDerWaalsContact OH-CG2 3.3Å; Y160-T401 WeakPolarHBondContact OH-CG2 3.44Å; V207-T401 HydrophobicContact CB-CG2 4.08Å; V207-T401 HydrophobicContact CG1-CG2 3.72Å; V207-T401 HydrophobicContact CG2-CG2 3.35Å; I397-T401 WeakPolarHBondContact O-CB 3.49Å; I397-T401 PolarHBondContact O-N 3.06Å; I397-T401 PolarHBondContact O-OG1 2.66Å; V398-T401 WeakPolarHBondContact O-CB 3.39Å; V398-T401 PolarHBondContact O-N 3.02Å; V398-T401 VanDerWaalsContact O-N 3.14Å; E399-T401 VanDerWaalsContact C-N 3.34Å; T401-A403 VanDerWaalsContact C-N 3.28Å; T401-A403 PolarHBondContact O-N 3.06Å; T401-I404 WeakPolarHBondContact O-CB 3.39Å; T401-I404 PolarHBondContact O-N 3.33Å; T401-I404 VanDerWaalsContact O-N 3.1Å; T401-C405 PolarHBondContact O-N 3.26Å; T401-C405 PolarHBondContact O-SG 2.76Å
402	D	97.4	Very high	95.9	Very high	31 Å²	31	32.7 Å²	32.7	17%	0.166	15%	0.149	C	C	.	.	H	α-helix	trans	-56.4	-45.3	175.9	-76.5	-27.2	0	0	0	110.8	H125 Y160 V398 I404 C405 H406	H125-D402 IonicContact NE2-OD1 2.82Å; Y160-D402 PolarHBondContact OH-N 3.01Å; Y160-D402 PolarHBondContact OH-OD1 3.06Å; V398-D402 PolarHBondContact O-N 3.24Å; D402-I404 PolarHBondContact O-N 3.36Å; D402-C405 PolarHBondContact O-N 3.22Å; D402-H406 PolarHBondContact O-CD2 3.02Å; D402-H406 PolarHBondContact O-N 3.18Å
403	A	98	Very high	95.3	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.033	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-44.6	176.4	0	0	0	0	0	111.8	Y59 L60 E399 Y400 T401 H406 W407	Y59-A403 HydrophobicContact CE1-CB 4.4Å; Y59-A403 WeakPolarHBondContact CE1-O 3.28Å; L60-A403 HydrophobicContact CD2-CB 3.87Å; E399-A403 WeakPolarHBondContact O-CB 3.31Å; E399-A403 PolarHBondContact O-N 3.26Å; Y400-A403 PolarHBondContact O-N 2.94Å; T401-A403 VanDerWaalsContact C-N 3.28Å; T401-A403 PolarHBondContact O-N 3.06Å; A403-H406 PolarHBondContact O-N 3.36Å; A403-W407 WeakPolarHBondContact O-CB 3.33Å; A403-W407 PolarHBondContact O-N 2.94Å
404	I	98.2	Very high	94.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-48.1	175.1	-69.1	-72.4	0	0	0	111.3	L56 L60 L233 C234 P336 Y400 T401 D402 H406 W407 E408	L56-I404 HydrophobicContact CD1-CD1 4.02Å; L60-I404 HydrophobicContact CD1-CD1 4.08Å; L60-I404 HydrophobicContact CD2-CD1 3.68Å; L60-I404 HydrophobicContact CD2-CG1 3.89Å; L60-I404 HydrophobicContact CG-CD1 4.4Å; L233-I404 HydrophobicContact CB-CG2 3.91Å; C234-I404 HydrophobicContact CB-CD1 4.48Å; C234-I404 HydrophobicContact CB-CG1 4.08Å; C234-I404 HydrophobicContact CB-CG2 4.09Å; P336-I404 HydrophobicContact CB-CD1 3.68Å; P336-I404 HydrophobicContact CG-CD1 3.95Å; Y400-I404 HydrophobicContact CD1-CG1 4.1Å; Y400-I404 HydrophobicContact CE1-CD1 4.22Å; Y400-I404 HydrophobicContact CE1-CG1 3.7Å; Y400-I404 WeakPolarHBondContact O-CG1 3.49Å; Y400-I404 PolarHBondContact O-N 3.47Å; T401-I404 WeakPolarHBondContact O-CB 3.39Å; T401-I404 PolarHBondContact O-N 3.33Å; T401-I404 VanDerWaalsContact O-N 3.1Å; D402-I404 PolarHBondContact O-N 3.36Å; I404-H406 VanDerWaalsContact C-N 3.31Å; I404-H406 PolarHBondContact O-N 3.1Å; I404-W407 WeakPolarHBondContact O-CB 3.25Å; I404-W407 PolarHBondContact O-N 2.92Å; I404-W407 VanDerWaalsContact O-N 3.14Å; I404-E408 HydrophobicContact CG2-CG 4.48Å; I404-E408 PolarHBondContact O-N 3.23Å
405	C	97.2	Very high	93.8	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.02	22%	0.216	C	C	.	.	H	α-helix	trans	-57.7	-44.8	179.2	-67.1	0	0	0	0	111.5	T127 L233 T401 D402 K409	T127-C405 HydrophobicContact CG2-CB 3.76Å; L233-C405 VanDerWaalsContact CD1-SG 3.6Å; T401-C405 PolarHBondContact O-N 3.26Å; T401-C405 PolarHBondContact O-SG 2.76Å; D402-C405 PolarHBondContact O-N 3.22Å; C405-K409 WeakPolarHBondContact O-CB 3.3Å; C405-K409 PolarHBondContact O-N 3.38Å; C405-K409 VanDerWaalsContact O-N 3.13Å
406	H	97.2	Very high	93	Very high	76 Å²	76	49.7 Å²	49.7	35%	0.352	24%	0.238	S	C	.	.	H	α-helix	trans	-66.8	-37.6	176.4	-78.3	-64.5	0	0	0	113.1	S126 D402 A403 I404 K410	S126-H406 PolarHBondContact OG-NE2 3.12Å; D402-H406 PolarHBondContact O-CD2 3.02Å; D402-H406 PolarHBondContact O-N 3.18Å; A403-H406 PolarHBondContact O-N 3.36Å; I404-H406 VanDerWaalsContact C-N 3.31Å; I404-H406 PolarHBondContact O-N 3.1Å; H406-K410 WeakPolarHBondContact O-CB 3.46Å; H406-K410 PolarHBondContact O-N 3.42Å
407	W	96.4	Very high	91.9	Very high	34 Å²	34	52.6 Å²	52.6	13%	0.129	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-51.1	174.9	173.5	-97.3	0	0	0	111.6	P55 L56 Y59 A403 I404 K409 K410 Q411	P55-W407 HydrophobicContact CB-CH2 3.88Å; P55-W407 HydrophobicContact CB-CZ2 4.39Å; L56-W407 HydrophobicContact CB-CZ2 4.26Å; L56-W407 HydrophobicContact CD1-CD2 3.96Å; L56-W407 HydrophobicContact CD1-CG 3.81Å; Y59-W407 HydrophobicContact CD1-CB 3.94Å; Y59-W407 HydrophobicContact CD1-CD2 4.18Å; Y59-W407 AromaticContact CD1-CE3 3.59Å; Y59-W407 HydrophobicContact CD1-CE3 3.59Å; Y59-W407 HydrophobicContact CD1-CG 4.37Å; Y59-W407 HydrophobicContact CD1-CZ3 4.4Å; Y59-W407 AromaticContact CD2-CE3 3.73Å; Y59-W407 HydrophobicContact CD2-CE3 3.73Å; Y59-W407 HydrophobicContact CD2-CZ3 4Å; Y59-W407 HydrophobicContact CE1-CB 3.72Å; Y59-W407 HydrophobicContact CE1-CE3 4.16Å; Y59-W407 HydrophobicContact CE2-CE3 4.28Å; Y59-W407 HydrophobicContact CG-CD2 4.33Å; Y59-W407 AromaticContact CG-CE3 3.34Å; Y59-W407 HydrophobicContact CG-CE3 3.34Å; Y59-W407 AromaticContact CG-CZ3 3.74Å; Y59-W407 HydrophobicContact CG-CZ3 3.74Å; A403-W407 WeakPolarHBondContact O-CB 3.33Å; A403-W407 PolarHBondContact O-N 2.94Å; I404-W407 WeakPolarHBondContact O-CB 3.25Å; I404-W407 PolarHBondContact O-N 2.92Å; I404-W407 VanDerWaalsContact O-N 3.14Å; W407-K409 VanDerWaalsContact C-N 3.35Å; W407-K409 PolarHBondContact O-N 2.74Å; W407-K410 WeakPolarHBondContact O-CB 3.22Å; W407-K410 PolarHBondContact O-N 3.15Å; W407-K410 VanDerWaalsContact O-N 3.13Å; W407-Q411 HydrophobicContact CD2-CG 4.38Å; W407-Q411 VanDerWaalsContact CH2-NE2 3.33Å; W407-Q411 HydrophobicContact CZ2-CG 4.3Å; W407-Q411 WeakPolarHBondContact O-CG 3.37Å; W407-Q411 PolarHBondContact O-N 2.85Å
408	E	94.8	Very high	90.7	Very high	62 Å²	62	61.7 Å²	61.7	29%	0.29	29%	0.292	S	S	.	.	H	α-helix	trans	-60.6	-44.2	-179.7	-73	-57.3	130.2	0	0	111.6	L233 I404 K410 Q411 Q412	L233-E408 HydrophobicContact CD2-CG 4.13Å; I404-E408 HydrophobicContact CG2-CG 4.48Å; I404-E408 PolarHBondContact O-N 3.23Å; E408-K410 VanDerWaalsContact C-N 3.29Å; E408-K410 PolarHBondContact O-N 3.36Å; E408-Q411 PolarHBondContact O-N 3.26Å; E408-Q411 VanDerWaalsContact O-N 3.16Å; E408-Q412 WeakPolarHBondContact O-CG 3.06Å; E408-Q412 PolarHBondContact O-N 2.96Å
409	K	92.3	Very high	89.5	Confident	93 Å²	93	66.7 Å²	66.7	40%	0.404	32%	0.319	S	S	.	.	H	α-helix	trans	-59.9	-39.7	175.7	-171.1	162.8	-173.7	152.8	0	112.5	T127 D129 C405 W407 A413	T127-K409 HydrophobicContact CG2-CD 4.48Å; T127-K409 PolarHBondContact O-NZ 2.96Å; D129-K409 IonicContact OD1-NZ 2.65Å; C405-K409 WeakPolarHBondContact O-CB 3.3Å; C405-K409 PolarHBondContact O-N 3.38Å; C405-K409 VanDerWaalsContact O-N 3.13Å; W407-K409 VanDerWaalsContact C-N 3.35Å; W407-K409 PolarHBondContact O-N 2.74Å; K409-A413 PolarHBondContact O-N 3.31Å; K409-A413 VanDerWaalsContact O-N 3.12Å
410	K	92	Very high	88.1	Confident	116 Å²	116	67 Å²	67	50%	0.504	33%	0.327	S	S	.	.	H	α-helix	trans	-66.2	-41.9	175.6	-175.3	179.3	177.8	-178.7	0	111.8	H406 W407 E408 A413 C414	H406-K410 WeakPolarHBondContact O-CB 3.46Å; H406-K410 PolarHBondContact O-N 3.42Å; W407-K410 WeakPolarHBondContact O-CB 3.22Å; W407-K410 PolarHBondContact O-N 3.15Å; W407-K410 VanDerWaalsContact O-N 3.13Å; E408-K410 VanDerWaalsContact C-N 3.29Å; E408-K410 PolarHBondContact O-N 3.36Å; K410-A413 PolarHBondContact O-N 2.84Å; K410-C414 PolarHBondContact O-N 2.99Å; K410-C414 PolarHBondContact O-SG 3.49Å
411	Q	90.1	Very high	86.4	Confident	63 Å²	63	71.3 Å²	71.3	29%	0.294	35%	0.35	S	S	.	.	H	α-helix	trans	-62.2	-44.6	177.5	-69.7	-60.3	-25.5	0	0	111.7	W407 E408 A413 C414 Q415	W407-Q411 HydrophobicContact CD2-CG 4.38Å; W407-Q411 VanDerWaalsContact CH2-NE2 3.33Å; W407-Q411 HydrophobicContact CZ2-CG 4.3Å; W407-Q411 WeakPolarHBondContact O-CG 3.37Å; W407-Q411 PolarHBondContact O-N 2.85Å; E408-Q411 PolarHBondContact O-N 3.26Å; E408-Q411 VanDerWaalsContact O-N 3.16Å; Q411-A413 VanDerWaalsContact C-N 3.34Å; Q411-A413 PolarHBondContact O-N 3.11Å; Q411-C414 PolarHBondContact O-N 2.86Å; Q411-Q415 WeakPolarHBondContact O-CG 3.35Å; Q411-Q415 PolarHBondContact O-N 3.27Å
412	Q	86.5	Confident	84.5	Confident	93 Å²	93	74.5 Å²	74.5	44%	0.435	37%	0.372	S	S	.	.	H	α-helix	trans	-61.1	-41.6	176.4	-68.2	174.6	11.4	0	0	112.2	E408 Q415 R416	E408-Q412 WeakPolarHBondContact O-CG 3.06Å; E408-Q412 PolarHBondContact O-N 2.96Å; Q412-Q415 PolarHBondContact O-N 3.09Å; Q412-R416 WeakPolarHBondContact O-CG 3.3Å; Q412-R416 PolarHBondContact O-N 3.43Å
413	A	84.1	Confident	82.7	Confident	60 Å²	60	77.1 Å²	77.1	50%	0.496	39%	0.39	S	S	.	.	H	α-helix	trans	-63.4	-43.7	176.3	0	0	0	0	0	112.2	K409 K410 Q411 Q415 R416 S417	K409-A413 PolarHBondContact O-N 3.31Å; K409-A413 VanDerWaalsContact O-N 3.12Å; K410-A413 PolarHBondContact O-N 2.84Å; Q411-A413 VanDerWaalsContact C-N 3.34Å; Q411-A413 PolarHBondContact O-N 3.11Å; A413-Q415 PolarHBondContact O-N 3.49Å; A413-R416 PolarHBondContact O-N 3.05Å; A413-S417 PolarHBondContact O-N 3.31Å; A413-S417 VanDerWaalsContact O-N 3.08Å
414	C	81.3	Confident	80.6	Confident	58 Å²	58	80.3 Å²	80.3	39%	0.392	41%	0.412	S	S	.	.	H	α-helix	trans	-63.3	-39.8	175.9	-74	0	0	0	0	112.5	K410 Q411 S417 R418	K410-C414 PolarHBondContact O-N 2.99Å; K410-C414 PolarHBondContact O-SG 3.49Å; Q411-C414 PolarHBondContact O-N 2.86Å; C414-S417 PolarHBondContact O-N 3.26Å; C414-R418 WeakPolarHBondContact O-CG 3.3Å; C414-R418 PolarHBondContact O-N 2.84Å
415	Q	78.5	Confident	78.4	Confident	114 Å²	114	88.3 Å²	88.3	53%	0.533	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-44	176.3	-73.9	174	-2.3	0	0	111.9	Q411 Q412 A413 S417 R418 N419	Q411-Q415 WeakPolarHBondContact O-CG 3.35Å; Q411-Q415 PolarHBondContact O-N 3.27Å; Q412-Q415 PolarHBondContact O-N 3.09Å; A413-Q415 PolarHBondContact O-N 3.49Å; Q415-S417 PolarHBondContact O-N 2.89Å; Q415-R418 PolarHBondContact O-N 3.25Å; Q415-N419 PolarHBondContact O-N 3.16Å
416	R	79.5	Confident	76	Confident	183 Å²	183	96.2 Å²	96.2	69%	0.691	49%	0.485	S	S	*	.	H	α-helix	trans	-60.2	-43.6	176.4	-72.3	176.4	-173.4	179.2	4.2	112.2	Q412 A413 N419 S420	Q412-R416 WeakPolarHBondContact O-CG 3.3Å; Q412-R416 PolarHBondContact O-N 3.43Å; A413-R416 PolarHBondContact O-N 3.05Å; R416-N419 PolarHBondContact O-N 2.58Å; R416-S420 PolarHBondContact O-N 3.46Å; R416-S420 PolarHBondContact O-OG 3.42Å
417	S	75.4	Confident	73.4	Confident	61 Å²	61	102.8 Å²	102.8	43%	0.427	52%	0.523	S	S	.	.	H	α-helix	trans	-66.1	-34.9	177.2	173.9	0	0	0	0	113.2	A413 C414 Q415 S420 N421	A413-S417 PolarHBondContact O-N 3.31Å; A413-S417 VanDerWaalsContact O-N 3.08Å; C414-S417 PolarHBondContact O-N 3.26Å; Q415-S417 PolarHBondContact O-N 2.89Å; S417-S420 WeakPolarHBondContact CA-OG 3.36Å; S417-S420 PolarHBondContact O-OG 3.36Å; S417-N421 VanDerWaalsContact O-CG 3.31Å; S417-N421 PolarHBondContact O-N 3.35Å; S417-N421 PolarHBondContact O-OD1 2.94Å
418	R	73.7	Confident	72.2	Confident	191 Å²	191	106.2 Å²	106.2	72%	0.721	54%	0.543	S	S	*	.	H	α-helix	trans	-67.4	-43.5	174	-76.2	177.9	179.2	-179.4	-0.2	111.6	C414 Q415 S420 N421 S422	C414-R418 WeakPolarHBondContact O-CG 3.3Å; C414-R418 PolarHBondContact O-N 2.84Å; Q415-R418 PolarHBondContact O-N 3.25Å; R418-S420 PolarHBondContact O-N 3.22Å; R418-N421 PolarHBondContact O-N 3.36Å; R418-S422 PolarHBondContact O-N 3.1Å; R418-S422 PolarHBondContact O-OG 3.34Å
419	N	72.4	Confident	71	Confident	106 Å²	106	108.5 Å²	108.5	57%	0.567	56%	0.556	S	S	*	*	H	α-helix	trans	-65.8	-38	179.5	-69.8	-2	0	0	0	112	Q415 R416 S422 T423	Q415-N419 PolarHBondContact O-N 3.16Å; R416-N419 PolarHBondContact O-N 2.58Å; N419-S422 WeakPolarHBondContact CA-OG 3.41Å; N419-S422 PolarHBondContact O-N 3Å; N419-S422 PolarHBondContact O-OG 2.95Å; N419-T423 PolarHBondContact O-N 3.48Å; N419-T423 PolarHBondContact O-OG1 2.95Å
420	S	67.4	Low	69.9	Low	58 Å²	58	109.4 Å²	109.4	41%	0.406	56%	0.564	S	S	.	*	H	α-helix	trans	-65.8	-37.7	175.5	60.8	0	0	0	0	112.8	R416 S417 R418 T423 S424	R416-S420 PolarHBondContact O-N 3.46Å; R416-S420 PolarHBondContact O-OG 3.42Å; S417-S420 WeakPolarHBondContact CA-OG 3.36Å; S417-S420 PolarHBondContact O-OG 3.36Å; R418-S420 PolarHBondContact O-N 3.22Å; S420-T423 WeakPolarHBondContact CA-OG1 3.19Å; S420-T423 PolarHBondContact O-N 3.04Å; S420-T423 PolarHBondContact O-OG1 3.27Å; S420-S424 PolarHBondContact O-N 3.01Å; S420-S424 PolarHBondContact O-OG 2.75Å
421	N	63.1	Low	68.6	Low	91 Å²	91	109 Å²	109	49%	0.487	57%	0.568	S	S	.	*	H	α-helix	trans	-75	-27.5	179	-71.5	4.7	0	0	0	112.8	S417 R418 S424 H425	S417-N421 VanDerWaalsContact O-CG 3.31Å; S417-N421 PolarHBondContact O-N 3.35Å; S417-N421 PolarHBondContact O-OD1 2.94Å; R418-N421 PolarHBondContact O-N 3.36Å; N421-S424 WeakPolarHBondContact CA-OG 3.38Å; N421-S424 PolarHBondContact O-OG 2.66Å; N421-H425 PolarHBondContact O-CD2 3.19Å; N421-H425 VanDerWaalsContact O-CD2 3.24Å
422	S	59.3	Low	67.2	Low	68 Å²	68	111.9 Å²	111.9	48%	0.476	59%	0.585	S	S	.	*	H	α-helix	trans	-72.8	-31.7	173.2	49.8	0	0	0	0	113	R418 N419	R418-S422 PolarHBondContact O-N 3.1Å; R418-S422 PolarHBondContact O-OG 3.34Å; N419-S422 WeakPolarHBondContact CA-OG 3.41Å; N419-S422 PolarHBondContact O-N 3Å; N419-S422 PolarHBondContact O-OG 2.95Å
423	T	59.2	Low	65.9	Low	86 Å²	86	113.1 Å²	113.1	53%	0.528	60%	0.595	S	S	.	*	H	α-helix	trans	-73.8	-30.4	175.1	34.6	0	0	0	0	112.9	N419 S420 H425 Q426	N419-T423 PolarHBondContact O-N 3.48Å; N419-T423 PolarHBondContact O-OG1 2.95Å; S420-T423 WeakPolarHBondContact CA-OG1 3.19Å; S420-T423 PolarHBondContact O-N 3.04Å; S420-T423 PolarHBondContact O-OG1 3.27Å; T423-H425 PolarHBondContact O-N 3.3Å; T423-Q426 PolarHBondContact O-N 2.86Å
424	S	55	Low	64.6	Low	71 Å²	71	116.9 Å²	116.9	50%	0.497	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.8	-2	178.5	59.8	0	0	0	0	115	S420 N421	S420-S424 PolarHBondContact O-N 3.01Å; S420-S424 PolarHBondContact O-OG 2.75Å; N421-S424 WeakPolarHBondContact CA-OG 3.38Å; N421-S424 PolarHBondContact O-OG 2.66Å
425	H	51.8	Low	63.3	Low	168 Å²	168	121.5 Å²	121.5	78%	0.778	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	7.9	175.9	-76.7	-53.4	0	0	0	113	N421 T423	N421-H425 PolarHBondContact O-CD2 3.19Å; N421-H425 VanDerWaalsContact O-CD2 3.24Å; T423-H425 PolarHBondContact O-N 3.3Å
426	Q	46.3	Very low	62.1	Low	168 Å²	168	122.1 Å²	122.1	79%	0.785	63%	0.625	S	S	*	*			trans	-110.1	5.4	174.5	-74.8	-171.3	-22.3	0	0	113.7	T423	T423-Q426 PolarHBondContact O-N 2.86Å
427	D	41.7	Very low	60.5	Low	214 Å²	214	116.5 Å²	116.5	100%	1.144	62%	0.619	S	S	*	*			trans	-108.1	0	175.6	-70	-24.2	0	0	0	112.2

Retrieved 427 of 427 residues in 366.6 ms (Link to these results)

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