Q9ARW4_ORYSJ Loading...

Os01g0364100 protein

AlphaFold DB , UniProt , Accession Q9ARW4, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 725 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	49	Very low	50.2	Low	208 Å²	208	98.2 Å²	98.2	100%	1.025	58%	0.582	S	S	*	*				0	-41.2	0	-69.9	-139.8	-86.2	0	0	113.1	S3 A4 I5	M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 2.99Å; M1-A4 PolarHBondContact O-N 3.08Å; M1-I5 PolarHBondContact O-N 3.26Å
2	A	46.4	Very low	49.6	Very low	73 Å²	73	101.7 Å²	101.7	60%	0.603	59%	0.591	S	S	*	*	H	α-helix	trans	-57.5	-38.7	175.2	0	0	0	0	0	114.3	A4 I5 L6	A2-A4 VanDerWaalsContact C-N 3.32Å; A2-A4 PolarHBondContact O-N 2.81Å; A2-I5 PolarHBondContact O-N 3.27Å; A2-L6 PolarHBondContact O-N 2.79Å
3	S	48.3	Very low	49.2	Very low	97 Å²	97	99.8 Å²	99.8	68%	0.678	60%	0.595	S	S	*	*	H	α-helix	trans	-68.8	-26.4	178.5	-45.4	0	0	0	0	114.1	M1 L7	M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 2.99Å; S3-L7 PolarHBondContact O-N 3.26Å
4	A	51.7	Low	48.6	Very low	67 Å²	67	103.2 Å²	103.2	55%	0.554	60%	0.602	S	S	*	*	H	α-helix	trans	-77	-32	177.7	0	0	0	0	0	111.9	M1 A2 S8	M1-A4 PolarHBondContact O-N 3.08Å; A2-A4 VanDerWaalsContact C-N 3.32Å; A2-A4 PolarHBondContact O-N 2.81Å; A4-S8 PolarHBondContact O-N 3.3Å; A4-S8 VanDerWaalsContact O-N 3.13Å; A4-S8 PolarHBondContact O-OG 3.44Å
5	I	52.5	Low	47.6	Very low	103 Å²	103	105.5 Å²	105.5	53%	0.528	61%	0.61	S	S	.	*	H	α-helix	trans	-72.2	-39.3	175.8	-61.5	172.9	0	0	0	110.3	M1 A2 L7 S8 I9	M1-I5 PolarHBondContact O-N 3.26Å; A2-I5 PolarHBondContact O-N 3.27Å; I5-L7 PolarHBondContact O-N 3.09Å; I5-S8 WeakPolarHBondContact CA-OG 3.24Å; I5-S8 PolarHBondContact O-N 3.23Å; I5-S8 PolarHBondContact O-OG 2.95Å; I5-S8 VanDerWaalsContact O-OG 3.13Å; I5-I9 HydrophobicContact CG2-CD1 3.82Å; I5-I9 HydrophobicContact CG2-CG1 4.42Å; I5-I9 VanDerWaalsContact O-CG1 3.28Å; I5-I9 WeakPolarHBondContact O-CG1 3.34Å; I5-I9 PolarHBondContact O-N 3.48Å
6	L	49.3	Very low	46.7	Very low	121 Å²	121	105.3 Å²	105.3	63%	0.634	62%	0.616	S	S	*	*	H	α-helix	trans	-65.5	-36.7	175.4	-80	158.6	0	0	0	112.7	A2 A10	A2-L6 PolarHBondContact O-N 2.79Å; L6-A10 WeakPolarHBondContact O-CB 3.38Å; L6-A10 PolarHBondContact O-N 2.83Å
7	L	51.1	Low	46	Very low	113 Å²	113	105.1 Å²	105.1	59%	0.592	62%	0.622	S	S	*	*	H	α-helix	trans	-71.4	-36	177	-148.4	81	0	0	0	112.2	S3 I5 A10 I11	S3-L7 PolarHBondContact O-N 3.26Å; I5-L7 PolarHBondContact O-N 3.09Å; L7-A10 PolarHBondContact O-N 3.05Å; L7-I11 HydrophobicContact CD2-CD1 4.3Å; L7-I11 HydrophobicContact CG-CD1 4.2Å; L7-I11 WeakPolarHBondContact O-CB 3.5Å; L7-I11 WeakPolarHBondContact O-CD1 3.45Å; L7-I11 WeakPolarHBondContact O-CG1 3.45Å; L7-I11 PolarHBondContact O-N 2.97Å
8	S	52.1	Low	45.6	Very low	55 Å²	55	107.7 Å²	107.7	39%	0.385	63%	0.631	S	S	.	*	H	α-helix	trans	-74.6	-31.4	176.2	39.5	0	0	0	0	112.6	A4 I5 M12	A4-S8 PolarHBondContact O-N 3.3Å; A4-S8 VanDerWaalsContact O-N 3.13Å; A4-S8 PolarHBondContact O-OG 3.44Å; I5-S8 WeakPolarHBondContact CA-OG 3.24Å; I5-S8 PolarHBondContact O-N 3.23Å; I5-S8 PolarHBondContact O-OG 2.95Å; I5-S8 VanDerWaalsContact O-OG 3.13Å; S8-M12 WeakPolarHBondContact O-CB 3.36Å; S8-M12 PolarHBondContact O-N 2.8Å
9	I	50.8	Low	45.4	Very low	100 Å²	100	107 Å²	107	51%	0.513	63%	0.632	S	S	.	*	H	α-helix	trans	-68.9	-37.9	168.7	-65.6	168.1	0	0	0	110.6	I5 A13	I5-I9 HydrophobicContact CG2-CD1 3.82Å; I5-I9 HydrophobicContact CG2-CG1 4.42Å; I5-I9 VanDerWaalsContact O-CG1 3.28Å; I5-I9 WeakPolarHBondContact O-CG1 3.34Å; I5-I9 PolarHBondContact O-N 3.48Å; I9-A13 WeakPolarHBondContact O-CB 3.49Å; I9-A13 PolarHBondContact O-N 2.92Å
10	A	51.2	Low	45.9	Very low	51 Å²	51	103.1 Å²	103.1	42%	0.421	61%	0.613	S	S	.	*	H	α-helix	trans	-67.5	-38.4	175.1	0	0	0	0	0	112.7	L6 L7 Q14	L6-A10 WeakPolarHBondContact O-CB 3.38Å; L6-A10 PolarHBondContact O-N 2.83Å; L7-A10 PolarHBondContact O-N 3.05Å; A10-Q14 WeakPolarHBondContact O-CG 3.43Å; A10-Q14 PolarHBondContact O-N 3.03Å
11	I	49.5	Very low	46.6	Very low	92 Å²	92	103 Å²	103	47%	0.472	61%	0.606	S	S	.	*	H	α-helix	trans	-75.2	-37.5	177.7	-65.8	164.6	0	0	0	111.2	L7 Q14 L15	L7-I11 HydrophobicContact CD2-CD1 4.3Å; L7-I11 HydrophobicContact CG-CD1 4.2Å; L7-I11 WeakPolarHBondContact O-CB 3.5Å; L7-I11 WeakPolarHBondContact O-CD1 3.45Å; L7-I11 WeakPolarHBondContact O-CG1 3.45Å; L7-I11 PolarHBondContact O-N 2.97Å; I11-Q14 PolarHBondContact O-N 2.98Å; I11-L15 HydrophobicContact CG2-CD1 4.47Å; I11-L15 PolarHBondContact O-N 2.88Å
12	M	43.5	Very low	47.5	Very low	140 Å²	140	95.5 Å²	95.5	69%	0.69	57%	0.573	S	S	*	*	H	α-helix	trans	-72.6	-27.4	173.2	-75.9	-152.8	-72.4	0	0	113	S8 Q14 L15	S8-M12 WeakPolarHBondContact O-CB 3.36Å; S8-M12 PolarHBondContact O-N 2.8Å; M12-Q14 PolarHBondContact O-N 3.09Å; M12-L15 PolarHBondContact O-N 3.07Å
13	A	44.4	Very low	48.5	Very low	78 Å²	78	93.6 Å²	93.6	65%	0.645	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-14.3	170.9	0	0	0	0	0	113.3	I9	I9-A13 WeakPolarHBondContact O-CB 3.49Å; I9-A13 PolarHBondContact O-N 2.92Å
14	Q	40.3	Very low	49.8	Very low	147 Å²	147	95.6 Å²	95.6	69%	0.687	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-16.5	173.1	-75.5	-172	-24.5	0	0	113.6	A10 I11 M12 S16	A10-Q14 WeakPolarHBondContact O-CG 3.43Å; A10-Q14 PolarHBondContact O-N 3.03Å; I11-Q14 PolarHBondContact O-N 2.98Å; M12-Q14 PolarHBondContact O-N 3.09Å; Q14-S16 VanDerWaalsContact C-N 3.35Å; Q14-S16 PolarHBondContact O-N 3.25Å
15	L	33.4	Very low	51.2	Low	137 Å²	137	96.4 Å²	96.4	72%	0.717	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	64.5	178.2	-78	155.7	0	0	0	111.5	I11 M12	I11-L15 HydrophobicContact CG2-CD1 4.47Å; I11-L15 PolarHBondContact O-N 2.88Å; M12-L15 PolarHBondContact O-N 3.07Å
16	S	33.2	Very low	52.9	Low	103 Å²	103	93.3 Å²	93.3	72%	0.72	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-179	38.3	152.6	37.6	0	0	0	0	110.6	Q14 I18	Q14-S16 VanDerWaalsContact C-N 3.35Å; Q14-S16 PolarHBondContact O-N 3.25Å; S16-I18 VanDerWaalsContact C-N 3.31Å; S16-I18 PolarHBondContact O-N 2.88Å
17	S	35.7	Very low	54.7	Low	102 Å²	102	92.8 Å²	92.8	71%	0.713	56%	0.564	S	S	*	*			trans	-81.3	90.5	156.3	50.7	0	0	0	0	106.6	S19	S17-S19 VanDerWaalsContact C-N 3.33Å; S17-S19 PolarHBondContact O-N 2.95Å
18	I	38.3	Very low	56.5	Low	151 Å²	151	90.6 Å²	90.6	77%	0.774	56%	0.558	S	S	*	*			trans	-58.8	106.4	164.5	-63.1	169.1	0	0	0	104.6	S16 A20	S16-I18 VanDerWaalsContact C-N 3.31Å; S16-I18 PolarHBondContact O-N 2.88Å; I18-A20 VanDerWaalsContact C-N 3.35Å; I18-A20 PolarHBondContact O-N 3.4Å
19	S	41.7	Very low	58.4	Low	95 Å²	95	91.8 Å²	91.8	66%	0.664	56%	0.558	S	S	*	*			trans	-58.2	97.3	178.3	167	0	0	0	0	108.4	S17 Q21	S17-S19 VanDerWaalsContact C-N 3.33Å; S17-S19 PolarHBondContact O-N 2.95Å; S19-Q21 PolarHBondContact O-N 3.25Å; S19-Q21 VanDerWaalsContact O-N 3.16Å
20	A	55	Low	60.5	Low	29 Å²	29	87.1 Å²	87.1	24%	0.24	53%	0.533	C	S	.	.			trans	-86	41	177.4	0	0	0	0	0	111.5	I18 Y37	I18-A20 VanDerWaalsContact C-N 3.35Å; I18-A20 PolarHBondContact O-N 3.4Å; A20-Y37 PolarHBondContact O-OH 2.87Å
21	Q	62.1	Low	62.3	Low	101 Å²	101	86.4 Å²	86.4	47%	0.472	53%	0.532	S	S	.	.	S	Bend	trans	-105.5	142.2	155.9	-87.6	-179.5	-21.7	0	0	106.5	S19 A23 T277	S19-Q21 PolarHBondContact O-N 3.25Å; S19-Q21 VanDerWaalsContact O-N 3.16Å; Q21-A23 PolarHBondContact O-N 2.84Å; Q21-T277 PolarHBondContact NE2-OG1 3.41Å; Q21-T277 VanDerWaalsContact NE2-OG1 3.12Å
22	P	66.1	Low	64.3	Low	50 Å²	50	90.4 Å²	90.4	33%	0.325	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-54	130.6	174.1	22.5	-31	0	0	0	108.7	C26 Y37	P22-C26 HydrophobicContact CB-CB 4.36Å; P22-Y37 HydrophobicContact CB-CD2 4.2Å; P22-Y37 HydrophobicContact CG-CD2 4.28Å
23	A	69	Low	66.6	Low	33 Å²	33	85 Å²	85	27%	0.273	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-53.3	143.1	179.1	0	0	0	0	0	110.6	Q21 G25 C26 E44	Q21-A23 PolarHBondContact O-N 2.84Å; A23-G25 PolarHBondContact O-N 3.4Å; A23-C26 PolarHBondContact O-N 3.06Å; A23-C26 PolarHBondContact O-SG 3.15Å; A23-E44 HydrophobicContact CB-CB 4.47Å
24	P	74.7	Confident	68.9	Low	139 Å²	139	87.3 Å²	87.3	90%	0.903	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	126.2	176.7	20.8	-29.4	0	0	0	110.1
25	G	81.6	Confident	71.5	Confident	84 Å²	84	80.8 Å²	80.8	87%	0.866	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	101	3.4	-177.6	0	0	0	0	0	115.5	A23 Q27	A23-G25 PolarHBondContact O-N 3.4Å; G25-Q27 PolarHBondContact O-N 3.13Å
26	C	88	Confident	74.3	Confident	39 Å²	39	75.3 Å²	75.3	26%	0.264	47%	0.467	S	S	.	.			trans	-59.5	132.5	172.4	-71.3	0	0	0	0	112.3	P22 A23 S28 C45	P22-C26 HydrophobicContact CB-CB 4.36Å; A23-C26 PolarHBondContact O-N 3.06Å; A23-C26 PolarHBondContact O-SG 3.15Å; C26-S28 PolarHBondContact O-N 2.99Å; C26-C45 VanDerWaalsContact CA-SG 3.54Å; C26-C45 HydrophobicContact CB-CB 3.75Å; C26-C45 WeakPolarHBondContact CB-SG 3.49Å; C26-C45 WeakPolarHBondContact SG-CA 3.46Å; C26-C45 WeakPolarHBondContact SG-CB 3.31Å; C26-C45 CovalentContact SG-SG 2.03Å; C26-C45 PolarHBondContact SG-SG 3.42Å
27	Q	88.2	Confident	77.1	Confident	110 Å²	110	71 Å²	71	51%	0.514	44%	0.435	S	S	.	.			trans	-71.3	126	175.2	-175.4	179	-10.5	0	0	109.9	G25 H29 I41	G25-Q27 PolarHBondContact O-N 3.13Å; Q27-H29 WeakPolarHBondContact CG-O 3.47Å; Q27-H29 PolarHBondContact NE2-O 3.32Å; Q27-I41 HydrophobicContact CB-CB 4.49Å; Q27-I41 HydrophobicContact CB-CD1 4.06Å; Q27-I41 HydrophobicContact CG-CD1 3.87Å
28	S	88.2	Confident	79.9	Confident	66 Å²	66	66.2 Å²	66.2	46%	0.462	40%	0.401	S	S	.	.			trans	-93.1	-11.6	-176.5	59.6	0	0	0	0	114.5	C26 I35	C26-S28 PolarHBondContact O-N 2.99Å; S28-I35 PolarHBondContact O-N 3.5Å
29	H	92.1	Very high	82.5	Confident	81 Å²	81	59.1 Å²	59.1	38%	0.375	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.8	-176.6	-72.6	69.2	0	0	0	111.2	Q27 M33	Q27-H29 WeakPolarHBondContact CG-O 3.47Å; Q27-H29 PolarHBondContact NE2-O 3.32Å; H29-M33 CarbonylContact C-O 3.51Å; H29-M33 VanDerWaalsContact CA-O 3.28Å; H29-M33 WeakPolarHBondContact CA-O 3.42Å
30	C	93.5	Very high	85	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.007	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	104.8	166.6	-176.4	0	0	0	0	109.5	D32 M33 I35 I41 C55 K64 P65	C30-D32 PolarHBondContact O-N 3.17Å; C30-M33 PolarHBondContact N-O 3.35Å; C30-M33 PolarHBondContact O-N 2.94Å; C30-I35 HydrophobicContact CB-CD1 4.37Å; C30-I35 HydrophobicContact CB-CG1 4.18Å; C30-I41 HydrophobicContact CB-CD1 4.01Å; C30-C55 WeakPolarHBondContact CA-SG 3.33Å; C30-C55 HydrophobicContact CB-CB 3.78Å; C30-C55 WeakPolarHBondContact CB-SG 3.37Å; C30-C55 WeakPolarHBondContact SG-CA 3.42Å; C30-C55 WeakPolarHBondContact SG-CB 3.21Å; C30-C55 CovalentContact SG-SG 2.03Å; C30-C55 PolarHBondContact SG-SG 2.83Å; C30-K64 PolarHBondContact SG-O 3.27Å; C30-P65 HydrophobicContact CB-CB 4.02Å; C30-P65 HydrophobicContact CB-CG 4.41Å; C30-P65 VanDerWaalsContact SG-N 3.37Å
31	G	90.5	Very high	86.7	Confident	37 Å²	37	54.8 Å²	54.8	38%	0.381	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	-127.4	-167.5	0	0	0	0	0	110.2	M33	G31-M33 VanDerWaalsContact C-N 3.33Å
32	D	90.2	Very high	87.9	Confident	176 Å²	176	51.5 Å²	51.5	94%	0.941	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	0.5	179.2	-57.1	-40.6	0	0	0	113.4	C30	C30-D32 PolarHBondContact O-N 3.17Å
33	M	92.2	Very high	88.7	Confident	27 Å²	27	54.3 Å²	54.3	13%	0.133	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.7	-176.4	-177.6	170.7	173.7	0	0	111.6	H29 C30 G31 I35 P65 V72 N74 I75	H29-M33 CarbonylContact C-O 3.51Å; H29-M33 VanDerWaalsContact CA-O 3.28Å; H29-M33 WeakPolarHBondContact CA-O 3.42Å; C30-M33 PolarHBondContact N-O 3.35Å; C30-M33 PolarHBondContact O-N 2.94Å; G31-M33 VanDerWaalsContact C-N 3.33Å; M33-I35 HydrophobicContact CE-CD1 4.26Å; M33-I35 HydrophobicContact CG-CD1 4.15Å; M33-I35 HydrophobicContact SD-CD1 4.42Å; M33-P65 HydrophobicContact CB-CG 4.26Å; M33-P65 HydrophobicContact CG-CG 4.31Å; M33-P65 HydrophobicContact SD-CG 3.48Å; M33-P65 WeakPolarHBondContact SD-CG 3.46Å; M33-V72 HydrophobicContact CE-CG1 3.7Å; M33-V72 HydrophobicContact SD-CG1 4.12Å; M33-N74 VanDerWaalsContact CE-CA 3.44Å; M33-I75 HydrophobicContact CE-CB 4.09Å; M33-I75 HydrophobicContact CE-CD1 3.83Å; M33-I75 HydrophobicContact CE-CG1 3.65Å
34	E	93.2	Very high	89.5	Confident	125 Å²	125	60 Å²	60	58%	0.584	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	135.9	168.7	-171.4	177.1	-176.6	0	0	110.6	P36	E34-P36 VanDerWaalsContact O-CD 3.29Å; E34-P36 WeakPolarHBondContact O-CD 3.27Å
35	I	94.3	Very high	90.2	Very high	10 Å²	10	54.2 Å²	54.2	5%	0.051	32%	0.324	C	S	.	.			trans	-111	93.4	177.7	-54.1	-55.8	0	0	0	108.2	S28 C30 M33 F39 I41 I53 P65 I75	S28-I35 PolarHBondContact O-N 3.5Å; C30-I35 HydrophobicContact CB-CD1 4.37Å; C30-I35 HydrophobicContact CB-CG1 4.18Å; M33-I35 HydrophobicContact CE-CD1 4.26Å; M33-I35 HydrophobicContact CG-CD1 4.15Å; M33-I35 HydrophobicContact SD-CD1 4.42Å; I35-F39 HydrophobicContact CG2-CB 3.83Å; I35-I41 HydrophobicContact CB-CG1 4.44Å; I35-I41 HydrophobicContact CG1-CD1 4.07Å; I35-I41 HydrophobicContact CG1-CG1 4.14Å; I35-I41 HydrophobicContact CG2-CG1 4.39Å; I35-I53 HydrophobicContact CD1-CG2 4.09Å; I35-I53 HydrophobicContact CG1-CG2 4.47Å; I35-I53 HydrophobicContact CG2-CB 4.24Å; I35-I53 HydrophobicContact CG2-CG1 3.92Å; I35-P65 HydrophobicContact CD1-CB 3.97Å; I35-P65 HydrophobicContact CD1-CG 4.39Å; I35-I75 HydrophobicContact CD1-CD1 4.33Å
36	P	93.2	Very high	90.7	Very high	22 Å²	22	50.8 Å²	50.8	14%	0.143	29%	0.287	C	S	.	.			trans	-82	138.8	-176.3	33.3	-36.3	0	0	0	111.5	E34 F39 I75 L77	E34-P36 VanDerWaalsContact O-CD 3.29Å; E34-P36 WeakPolarHBondContact O-CD 3.27Å; P36-F39 CarbonylContact C-O 3.56Å; P36-F39 WeakPolarHBondContact O-CA 3.39Å; P36-F39 VanDerWaalsContact O-CB 3.28Å; P36-F39 WeakPolarHBondContact O-CB 3.37Å; P36-F39 PolarHBondContact O-N 3.21Å; P36-I75 HydrophobicContact CG-CB 4.3Å; P36-I75 HydrophobicContact CG-CG2 3.91Å; P36-L77 HydrophobicContact CB-CD1 3.94Å; P36-L77 HydrophobicContact CB-CD2 4.33Å; P36-L77 HydrophobicContact CB-CG 4.12Å; P36-L77 HydrophobicContact CG-CD1 4.41Å; P36-L77 HydrophobicContact CG-CD2 4.05Å; P36-L77 HydrophobicContact CG-CG 4.03Å
37	Y	92.1	Very high	90.8	Very high	14 Å²	14	50.8 Å²	50.8	6%	0.055	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	136.7	169.6	-167.8	-97.6	0	0	0	110.1	A20 P22 F39 C45 I47 L77 N273 Y275 I276	A20-Y37 PolarHBondContact O-OH 2.87Å; P22-Y37 HydrophobicContact CB-CD2 4.2Å; P22-Y37 HydrophobicContact CG-CD2 4.28Å; Y37-F39 VanDerWaalsContact C-N 3.34Å; Y37-F39 WeakPolarHBondContact CA-O 3.46Å; Y37-F39 PolarHBondContact N-O 2.86Å; Y37-C45 WeakPolarHBondContact CD2-O 3.39Å; Y37-I47 HydrophobicContact CE1-CB 4.46Å; Y37-I47 HydrophobicContact CE1-CD1 4.46Å; Y37-I47 HydrophobicContact CE2-CB 4.28Å; Y37-I47 WeakPolarHBondContact OH-CA 3.46Å; Y37-I47 WeakPolarHBondContact OH-CB 3.35Å; Y37-I47 VanDerWaalsContact OH-CG1 3.31Å; Y37-I47 WeakPolarHBondContact OH-CG1 3.44Å; Y37-L77 WeakPolarHBondContact O-CD1 3.44Å; Y37-N273 PolarHBondContact O-ND2 3.06Å; Y37-N273 PolarHBondContact O-OD1 3.41Å; Y37-Y275 WeakPolarHBondContact CE1-O 3.49Å; Y37-I276 HydrophobicContact CD1-CG2 3.41Å; Y37-I276 VanDerWaalsContact CD1-CG2 3.41Å; Y37-I276 HydrophobicContact CE1-CG2 4.15Å; Y37-I276 HydrophobicContact CG-CG2 3.83Å
38	P	93	Very high	90.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	cis	-81.1	-2.2	21.3	31.4	-33.7	0	0	0	115.5	A46 I47 F51 W229 I231 Y275	P38-A46 CarbonylContact O-C 3.59Å; P38-A46 WeakPolarHBondContact O-CA 3.43Å; P38-I47 HydrophobicContact CB-CB 3.73Å; P38-I47 HydrophobicContact CB-CD1 4.33Å; P38-I47 HydrophobicContact CB-CG2 3.5Å; P38-I47 PolarHBondContact O-N 2.7Å; P38-F51 HydrophobicContact CB-CD1 4.21Å; P38-F51 HydrophobicContact CG-CD1 3.85Å; P38-F51 HydrophobicContact CG-CE1 3.87Å; P38-F51 WeakPolarHBondContact O-CB 3.36Å; P38-W229 HydrophobicContact CG-CH2 4.22Å; P38-W229 HydrophobicContact CG-CZ3 4.15Å; P38-I231 HydrophobicContact CB-CD1 4.43Å; P38-I231 HydrophobicContact CG-CD1 4.23Å; P38-Y275 HydrophobicContact CG-CD1 4.23Å; P38-Y275 HydrophobicContact CG-CD2 4.37Å; P38-Y275 HydrophobicContact CG-CE1 4.33Å; P38-Y275 HydrophobicContact CG-CE2 4.48Å; P38-Y275 HydrophobicContact CG-CG 4.24Å
39	F	94.7	Very high	90.9	Very high	3 Å²	3	50.6 Å²	50.6	1%	0.013	29%	0.285	C	S	.	.			trans	-75.6	150.2	172.2	-59.6	-104.8	0	0	0	111	I35 P36 Y37 F51 I53 I75 T82 Y114 W229	I35-F39 HydrophobicContact CG2-CB 3.83Å; P36-F39 CarbonylContact C-O 3.56Å; P36-F39 WeakPolarHBondContact O-CA 3.39Å; P36-F39 VanDerWaalsContact O-CB 3.28Å; P36-F39 WeakPolarHBondContact O-CB 3.37Å; P36-F39 PolarHBondContact O-N 3.21Å; Y37-F39 VanDerWaalsContact C-N 3.34Å; Y37-F39 WeakPolarHBondContact CA-O 3.46Å; Y37-F39 PolarHBondContact N-O 2.86Å; F39-F51 VanDerWaalsContact CA-O 3.28Å; F39-F51 WeakPolarHBondContact CA-O 3.12Å; F39-F51 HydrophobicContact CD1-CB 4.4Å; F39-F51 HydrophobicContact CD1-CD1 4.02Å; F39-F51 AromaticContact CD2-CD1 3.89Å; F39-F51 HydrophobicContact CD2-CD1 3.89Å; F39-F51 AromaticContact CE1-CD1 3.9Å; F39-F51 HydrophobicContact CE1-CD1 3.9Å; F39-F51 HydrophobicContact CE1-CE1 4.49Å; F39-F51 AromaticContact CE2-CD1 3.68Å; F39-F51 HydrophobicContact CE2-CD1 3.68Å; F39-F51 AromaticContact CE2-CE1 3.9Å; F39-F51 HydrophobicContact CE2-CE1 3.9Å; F39-F51 HydrophobicContact CG-CD1 4.05Å; F39-F51 AromaticContact CZ-CD1 3.69Å; F39-F51 HydrophobicContact CZ-CD1 3.69Å; F39-F51 AromaticContact CZ-CE1 3.9Å; F39-F51 HydrophobicContact CZ-CE1 3.9Å; F39-I53 HydrophobicContact CB-CG1 4.11Å; F39-I53 HydrophobicContact CD1-CD1 3.86Å; F39-I53 HydrophobicContact CD1-CG1 3.99Å; F39-I53 HydrophobicContact CE1-CD1 4.48Å; F39-I75 HydrophobicContact CB-CD1 4.25Å; F39-I75 HydrophobicContact CD1-CD1 3.89Å; F39-I75 HydrophobicContact CD2-CD1 4.27Å; F39-I75 HydrophobicContact CD2-CG2 3.74Å; F39-I75 HydrophobicContact CE1-CD1 4.22Å; F39-I75 HydrophobicContact CE2-CG2 3.55Å; F39-I75 HydrophobicContact CG-CD1 3.9Å; F39-I75 HydrophobicContact CG-CG2 4.45Å; F39-I75 HydrophobicContact CZ-CG2 4.07Å; F39-T82 WeakPolarHBondContact CZ-OG1 3.44Å; F39-Y114 HydrophobicContact CE1-CE1 4.03Å; F39-Y114 AromaticContact CE1-CZ 4Å; F39-Y114 WeakPolarHBondContact CE1-OH 3.22Å; F39-Y114 HydrophobicContact CZ-CE1 4.16Å; F39-W229 HydrophobicContact CE2-CD2 4.13Å; F39-W229 AromaticContact CE2-CE2 3.59Å; F39-W229 HydrophobicContact CE2-CH2 4.3Å; F39-W229 AromaticContact CE2-CZ2 3.7Å; F39-W229 HydrophobicContact CE2-CZ2 3.7Å; F39-W229 AromaticContact CE2-NE1 3.78Å; F39-W229 AromaticContact CZ-CD1 3.8Å; F39-W229 HydrophobicContact CZ-CD2 4.08Å; F39-W229 AromaticContact CZ-CE2 3.79Å; F39-W229 HydrophobicContact CZ-CG 4.08Å; F39-W229 HydrophobicContact CZ-CZ2 4.36Å; F39-W229 AromaticContact CZ-NE1 3.58Å
40	G	92.9	Very high	90.8	Very high	4 Å²	4	47 Å²	47	4%	0.041	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	149.7	178.4	0	0	0	0	0	112.8	G42 F51 V52 I53	G40-G42 PolarHBondContact O-N 2.99Å; G40-F51 PolarHBondContact N-O 3.18Å; G40-V52 WeakPolarHBondContact O-CA 3.24Å; G40-I53 PolarHBondContact O-N 3.2Å
41	I	92.2	Very high	90.8	Very high	29 Å²	29	47 Å²	47	15%	0.149	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	102.9	174.8	-57	174.2	0	0	0	107.9	Q27 C30 I35 C45 I53 C55	Q27-I41 HydrophobicContact CB-CB 4.49Å; Q27-I41 HydrophobicContact CB-CD1 4.06Å; Q27-I41 HydrophobicContact CG-CD1 3.87Å; C30-I41 HydrophobicContact CB-CD1 4.01Å; I35-I41 HydrophobicContact CB-CG1 4.44Å; I35-I41 HydrophobicContact CG1-CD1 4.07Å; I35-I41 HydrophobicContact CG1-CG1 4.14Å; I35-I41 HydrophobicContact CG2-CG1 4.39Å; I41-C45 PolarHBondContact O-SG 3.06Å; I41-I53 WeakPolarHBondContact CA-O 3.46Å; I41-C55 HydrophobicContact CD1-CB 4.17Å; I41-C55 HydrophobicContact CG2-CB 4.04Å
42	G	86.6	Confident	91	Very high	32 Å²	32	45.5 Å²	45.5	33%	0.33	25%	0.253	S	S	.	.	S	Bend	trans	99.5	156.4	-175	0	0	0	0	0	113.8	G40 E44 C45	G40-G42 PolarHBondContact O-N 2.99Å; G42-E44 VanDerWaalsContact C-N 3.26Å; G42-E44 PolarHBondContact O-N 3.43Å; G42-C45 PolarHBondContact O-N 3.35Å; G42-C45 VanDerWaalsContact O-N 3.14Å
43	T	82.1	Confident	91.2	Very high	109 Å²	109	37.1 Å²	37.1	67%	0.669	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.7	-170.6	48.7	0	0	0	0	114.5	V52	T43-V52 HydrophobicContact CG2-CG2 4.27Å
44	E	85.2	Confident	91.3	Very high	153 Å²	153	41.1 Å²	41.1	72%	0.715	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.5	179.1	-59.6	-173.3	169.5	0	0	113.1	A23 G42	A23-E44 HydrophobicContact CB-CB 4.47Å; G42-E44 VanDerWaalsContact C-N 3.26Å; G42-E44 PolarHBondContact O-N 3.43Å
45	C	91.1	Very high	91.3	Very high	16 Å²	16	36.4 Å²	36.4	11%	0.108	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-15.6	-175.6	-65.8	0	0	0	0	113.6	C26 Y37 I41 G42	C26-C45 VanDerWaalsContact CA-SG 3.54Å; C26-C45 HydrophobicContact CB-CB 3.75Å; C26-C45 WeakPolarHBondContact CB-SG 3.49Å; C26-C45 WeakPolarHBondContact SG-CA 3.46Å; C26-C45 WeakPolarHBondContact SG-CB 3.31Å; C26-C45 CovalentContact SG-SG 2.03Å; C26-C45 PolarHBondContact SG-SG 3.42Å; Y37-C45 WeakPolarHBondContact CD2-O 3.39Å; I41-C45 PolarHBondContact O-SG 3.06Å; G42-C45 PolarHBondContact O-N 3.35Å; G42-C45 VanDerWaalsContact O-N 3.14Å
46	A	91.9	Very high	91.3	Very high	12 Å²	12	40.1 Å²	40.1	10%	0.099	22%	0.223	C	C	.	.	S	Bend	trans	-99.2	158	177.4	0	0	0	0	0	111.1	P38 E48 F51 V52	P38-A46 CarbonylContact O-C 3.59Å; P38-A46 WeakPolarHBondContact O-CA 3.43Å; A46-E48 VanDerWaalsContact C-N 3.3Å; A46-E48 PolarHBondContact O-N 3.23Å; A46-F51 HydrophobicContact CB-CB 4.02Å; A46-V52 HydrophobicContact CB-CG2 3.8Å
47	I	89.3	Confident	91.2	Very high	40 Å²	40	46.2 Å²	46.2	21%	0.205	25%	0.247	C	C	.	.	S	Bend	trans	-64.6	-35.7	179.2	-163.5	165.6	0	0	0	112.7	Y37 P38 F51 I231 A245	Y37-I47 HydrophobicContact CE1-CB 4.46Å; Y37-I47 HydrophobicContact CE1-CD1 4.46Å; Y37-I47 HydrophobicContact CE2-CB 4.28Å; Y37-I47 WeakPolarHBondContact OH-CA 3.46Å; Y37-I47 WeakPolarHBondContact OH-CB 3.35Å; Y37-I47 VanDerWaalsContact OH-CG1 3.31Å; Y37-I47 WeakPolarHBondContact OH-CG1 3.44Å; P38-I47 HydrophobicContact CB-CB 3.73Å; P38-I47 HydrophobicContact CB-CD1 4.33Å; P38-I47 HydrophobicContact CB-CG2 3.5Å; P38-I47 PolarHBondContact O-N 2.7Å; I47-F51 HydrophobicContact CG2-CB 4.31Å; I47-F51 HydrophobicContact CG2-CD2 3.76Å; I47-F51 HydrophobicContact CG2-CE2 4.21Å; I47-F51 HydrophobicContact CG2-CG 4.02Å; I47-I231 HydrophobicContact CD1-CD1 4.41Å; I47-I231 HydrophobicContact CG2-CD1 4.23Å; I47-A245 HydrophobicContact CD1-CB 3.68Å
48	E	88.8	Confident	91	Very high	75 Å²	75	47.3 Å²	47.3	35%	0.35	26%	0.256	S	S	.	.	S	Bend	trans	-153.1	163.5	177.5	66.7	-178.4	-165.3	0	0	109.3	A46 G50 F51	A46-E48 VanDerWaalsContact C-N 3.3Å; A46-E48 PolarHBondContact O-N 3.23Å; E48-G50 PolarHBondContact O-N 3.23Å; E48-F51 HydrophobicContact CG-CD2 3.51Å; E48-F51 HydrophobicContact CG-CE2 3.98Å; E48-F51 PolarHBondContact O-N 3.11Å; E48-F51 WeakPolarHBondContact OE1-CE2 3.15Å
49	P	89.5	Confident	90.6	Very high	97 Å²	97	52.9 Å²	52.9	63%	0.63	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-52.6	-28.5	-176.9	-29.7	36.7	0	0	0	114.5	F51 V52	P49-F51 VanDerWaalsContact C-N 3.26Å; P49-F51 PolarHBondContact O-N 3.03Å; P49-V52 WeakPolarHBondContact O-CG2 3.46Å; P49-V52 PolarHBondContact O-N 3.44Å
50	G	90.8	Very high	90.1	Very high	6 Å²	6	58.4 Å²	58.4	6%	0.062	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-68.6	-18.5	178.5	0	0	0	0	0	115.8	E48 Y114	E48-G50 PolarHBondContact O-N 3.23Å; G50-Y114 WeakPolarHBondContact O-CE2 3.46Å; G50-Y114 PolarHBondContact O-OH 3.4Å
51	F	93.7	Very high	89.9	Confident	0 Å²	0	60 Å²	60	0%	0	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-102.4	9.8	-179.5	-73.3	-97.7	0	0	0	112.8	P38 F39 G40 A46 I47 E48 P49 I53 P113 W229 I231	P38-F51 HydrophobicContact CB-CD1 4.21Å; P38-F51 HydrophobicContact CG-CD1 3.85Å; P38-F51 HydrophobicContact CG-CE1 3.87Å; P38-F51 WeakPolarHBondContact O-CB 3.36Å; F39-F51 VanDerWaalsContact CA-O 3.28Å; F39-F51 WeakPolarHBondContact CA-O 3.12Å; F39-F51 HydrophobicContact CD1-CB 4.4Å; F39-F51 HydrophobicContact CD1-CD1 4.02Å; F39-F51 AromaticContact CD2-CD1 3.89Å; F39-F51 HydrophobicContact CD2-CD1 3.89Å; F39-F51 AromaticContact CE1-CD1 3.9Å; F39-F51 HydrophobicContact CE1-CD1 3.9Å; F39-F51 HydrophobicContact CE1-CE1 4.49Å; F39-F51 AromaticContact CE2-CD1 3.68Å; F39-F51 HydrophobicContact CE2-CD1 3.68Å; F39-F51 AromaticContact CE2-CE1 3.9Å; F39-F51 HydrophobicContact CE2-CE1 3.9Å; F39-F51 HydrophobicContact CG-CD1 4.05Å; F39-F51 AromaticContact CZ-CD1 3.69Å; F39-F51 HydrophobicContact CZ-CD1 3.69Å; F39-F51 AromaticContact CZ-CE1 3.9Å; F39-F51 HydrophobicContact CZ-CE1 3.9Å; G40-F51 PolarHBondContact N-O 3.18Å; A46-F51 HydrophobicContact CB-CB 4.02Å; I47-F51 HydrophobicContact CG2-CB 4.31Å; I47-F51 HydrophobicContact CG2-CD2 3.76Å; I47-F51 HydrophobicContact CG2-CE2 4.21Å; I47-F51 HydrophobicContact CG2-CG 4.02Å; E48-F51 HydrophobicContact CG-CD2 3.51Å; E48-F51 HydrophobicContact CG-CE2 3.98Å; E48-F51 PolarHBondContact O-N 3.11Å; E48-F51 WeakPolarHBondContact OE1-CE2 3.15Å; P49-F51 VanDerWaalsContact C-N 3.26Å; P49-F51 PolarHBondContact O-N 3.03Å; F51-I53 PolarHBondContact O-N 2.88Å; F51-P113 HydrophobicContact CD2-CG 3.84Å; F51-P113 HydrophobicContact CE2-CB 3.7Å; F51-P113 HydrophobicContact CE2-CG 3.44Å; F51-P113 VanDerWaalsContact CE2-CG 3.44Å; F51-P113 HydrophobicContact CZ-CB 3.98Å; F51-P113 HydrophobicContact CZ-CG 3.91Å; F51-W229 HydrophobicContact CE1-CB 4.5Å; F51-W229 AromaticContact CE1-CD2 3.84Å; F51-W229 HydrophobicContact CE1-CD2 3.84Å; F51-W229 AromaticContact CE1-CE3 3.46Å; F51-W229 HydrophobicContact CE1-CE3 3.46Å; F51-W229 VanDerWaalsContact CE1-CE3 3.46Å; F51-W229 HydrophobicContact CE1-CG 4.3Å; F51-W229 AromaticContact CE1-CZ3 3.94Å; F51-W229 HydrophobicContact CE1-CZ3 3.94Å; F51-W229 HydrophobicContact CZ-CD2 4.4Å; F51-W229 AromaticContact CZ-CE3 3.76Å; F51-W229 HydrophobicContact CZ-CE3 3.76Å; F51-W229 HydrophobicContact CZ-CZ3 4.37Å; F51-I231 HydrophobicContact CE1-CD1 4.28Å; F51-I231 HydrophobicContact CE2-CD1 3.95Å; F51-I231 HydrophobicContact CZ-CD1 3.63Å
52	V	94.2	Very high	89.8	Confident	5 Å²	5	60.4 Å²	60.4	3%	0.03	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	125.9	178.2	178.2	0	0	0	0	110	G40 T43 A46 P49 Y54	G40-V52 WeakPolarHBondContact O-CA 3.24Å; T43-V52 HydrophobicContact CG2-CG2 4.27Å; A46-V52 HydrophobicContact CB-CG2 3.8Å; P49-V52 WeakPolarHBondContact O-CG2 3.46Å; P49-V52 PolarHBondContact O-N 3.44Å; V52-Y54 HydrophobicContact CG1-CE1 4.3Å
53	I	94.9	Very high	90.2	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.8	173.3	-64.1	-63.1	0	0	0	109.3	I35 F39 G40 I41 F51 P65 L67 V72 I75	I35-I53 HydrophobicContact CD1-CG2 4.09Å; I35-I53 HydrophobicContact CG1-CG2 4.47Å; I35-I53 HydrophobicContact CG2-CB 4.24Å; I35-I53 HydrophobicContact CG2-CG1 3.92Å; F39-I53 HydrophobicContact CB-CG1 4.11Å; F39-I53 HydrophobicContact CD1-CD1 3.86Å; F39-I53 HydrophobicContact CD1-CG1 3.99Å; F39-I53 HydrophobicContact CE1-CD1 4.48Å; G40-I53 PolarHBondContact O-N 3.2Å; I41-I53 WeakPolarHBondContact CA-O 3.46Å; F51-I53 PolarHBondContact O-N 2.88Å; I53-P65 HydrophobicContact CG2-CB 3.46Å; I53-P65 VanDerWaalsContact CG2-CB 3.46Å; I53-L67 HydrophobicContact CD1-CD1 4.28Å; I53-V72 HydrophobicContact CD1-CG2 4.21Å; I53-I75 HydrophobicContact CD1-CD1 4.32Å; I53-I75 HydrophobicContact CG1-CD1 4.48Å
54	Y	94.4	Very high	90.7	Very high	110 Å²	110	61.4 Å²	61.4	43%	0.431	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	110.7	174.1	-60	-80.7	0	0	0	109.4	V52 N56 P65 F66	V52-Y54 HydrophobicContact CG1-CE1 4.3Å; Y54-N56 PolarHBondContact O-N 3.41Å; Y54-P65 CarbonylContact O-C 3.59Å; Y54-F66 PolarHBondContact N-O 2.92Å; Y54-F66 PolarHBondContact O-N 2.71Å
55	C	93.4	Very high	91.2	Very high	27 Å²	27	54.3 Å²	54.3	18%	0.182	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	99.4	177.8	-170.5	0	0	0	0	110.3	C30 I41	C30-C55 WeakPolarHBondContact CA-SG 3.33Å; C30-C55 HydrophobicContact CB-CB 3.78Å; C30-C55 WeakPolarHBondContact CB-SG 3.37Å; C30-C55 WeakPolarHBondContact SG-CA 3.42Å; C30-C55 WeakPolarHBondContact SG-CB 3.21Å; C30-C55 CovalentContact SG-SG 2.03Å; C30-C55 PolarHBondContact SG-SG 2.83Å; I41-C55 HydrophobicContact CD1-CB 4.17Å; I41-C55 HydrophobicContact CG2-CB 4.04Å
56	N	93	Very high	91.4	Very high	88 Å²	88	55.3 Å²	55.3	47%	0.471	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	148.2	-173.6	-69.6	-25.5	0	0	0	111.6	Y54 K64 F66	Y54-N56 PolarHBondContact O-N 3.41Å; N56-K64 PolarHBondContact N-O 2.81Å; N56-K64 PolarHBondContact O-N 3.39Å; N56-F66 HydrophobicContact CB-CD2 4.02Å; N56-F66 HydrophobicContact CB-CE2 4.03Å
57	K	92	Very high	91.3	Very high	149 Å²	149	54.9 Å²	54.9	65%	0.648	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	121.4	173.8	-167.3	174.8	-177.8	176.6	0	110.1	G61 S62 M63	K57-G61 VanDerWaalsContact CE-O 3.25Å; K57-G61 WeakPolarHBondContact CE-O 3.25Å; K57-S62 CarbonylContact C-O 3.57Å; K57-S62 WeakPolarHBondContact CA-O 3.38Å; K57-M63 HydrophobicContact CB-CE 4.47Å; K57-M63 HydrophobicContact CB-SD 3.78Å; K57-M63 HydrophobicContact CG-SD 4.38Å
58	T	87.4	Confident	91.2	Very high	37 Å²	37	56 Å²	56	23%	0.227	31%	0.313	C	S	.	.			trans	-83.6	171	177.1	42.5	0	0	0	0	111.9	D60 G61 S62 K64 F66	T58-D60 VanDerWaalsContact CB-OD1 3.29Å; T58-D60 WeakPolarHBondContact CB-OD1 3.45Å; T58-D60 PolarHBondContact O-N 3.4Å; T58-D60 PolarHBondContact OG1-OD1 2.89Å; T58-G61 WeakPolarHBondContact O-CA 3.44Å; T58-G61 PolarHBondContact O-N 3.38Å; T58-S62 PolarHBondContact N-O 2.84Å; T58-S62 PolarHBondContact OG1-O 2.89Å; T58-S62 PolarHBondContact OG1-OG 3.14Å; T58-S62 VanDerWaalsContact OG1-OG 3.07Å; T58-K64 HydrophobicContact CG2-CB 3.95Å; T58-K64 HydrophobicContact CG2-CG 3.72Å; T58-F66 HydrophobicContact CG2-CE2 4.22Å; T58-F66 HydrophobicContact CG2-CZ 3.95Å
59	A	83.8	Confident	91	Very high	118 Å²	118	56.5 Å²	56.5	98%	0.975	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.4	-174.9	0	0	0	0	0	114	G61	A59-G61 PolarHBondContact O-N 3.4Å
60	D	85.7	Confident	91.1	Very high	119 Å²	119	52 Å²	52	64%	0.636	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-5.9	172	67.9	-19	0	0	0	113.1	T58 S62	T58-D60 VanDerWaalsContact CB-OD1 3.29Å; T58-D60 WeakPolarHBondContact CB-OD1 3.45Å; T58-D60 PolarHBondContact O-N 3.4Å; T58-D60 PolarHBondContact OG1-OD1 2.89Å; D60-S62 VanDerWaalsContact CG-OG 3.27Å; D60-S62 PolarHBondContact OD1-N 3.46Å; D60-S62 PolarHBondContact OD1-OG 3.3Å; D60-S62 PolarHBondContact OD2-OG 3.1Å
61	G	87.4	Confident	91.3	Very high	36 Å²	36	53.3 Å²	53.3	37%	0.371	29%	0.294	S	S	.	.	S	Bend	trans	87.1	-1.2	-180	0	0	0	0	0	115	K57 T58 A59	K57-G61 VanDerWaalsContact CE-O 3.25Å; K57-G61 WeakPolarHBondContact CE-O 3.25Å; T58-G61 WeakPolarHBondContact O-CA 3.44Å; T58-G61 PolarHBondContact O-N 3.38Å; A59-G61 PolarHBondContact O-N 3.4Å
62	S	90.6	Very high	91.4	Very high	39 Å²	39	53.4 Å²	53.4	27%	0.273	29%	0.294	S	S	.	.			trans	-77.9	155.1	176.5	69.8	0	0	0	0	111.6	K57 T58 D60 K64	K57-S62 CarbonylContact C-O 3.57Å; K57-S62 WeakPolarHBondContact CA-O 3.38Å; T58-S62 PolarHBondContact N-O 2.84Å; T58-S62 PolarHBondContact OG1-O 2.89Å; T58-S62 PolarHBondContact OG1-OG 3.14Å; T58-S62 VanDerWaalsContact OG1-OG 3.07Å; D60-S62 VanDerWaalsContact CG-OG 3.27Å; D60-S62 PolarHBondContact OD1-N 3.46Å; D60-S62 PolarHBondContact OD1-OG 3.3Å; D60-S62 PolarHBondContact OD2-OG 3.1Å; S62-K64 WeakPolarHBondContact OG-CE 3.35Å
63	M	94.6	Very high	91.4	Very high	93 Å²	93	56.3 Å²	56.3	46%	0.458	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.5	173.1	-73.8	-64.6	-155.2	0	0	108.7	K57	K57-M63 HydrophobicContact CB-CE 4.47Å; K57-M63 HydrophobicContact CB-SD 3.78Å; K57-M63 HydrophobicContact CG-SD 4.38Å
64	K	93.6	Very high	91.4	Very high	69 Å²	69	60.2 Å²	60.2	30%	0.3	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.8	-176.7	-64.4	-63.8	-168.5	161	0	111.4	C30 N56 T58 S62 F66 E71	C30-K64 PolarHBondContact SG-O 3.27Å; N56-K64 PolarHBondContact N-O 2.81Å; N56-K64 PolarHBondContact O-N 3.39Å; T58-K64 HydrophobicContact CG2-CB 3.95Å; T58-K64 HydrophobicContact CG2-CG 3.72Å; S62-K64 WeakPolarHBondContact OG-CE 3.35Å; K64-F66 HydrophobicContact CB-CD2 4.48Å; K64-F66 HydrophobicContact CB-CE2 3.66Å; K64-F66 HydrophobicContact CB-CZ 4.08Å; K64-F66 WeakPolarHBondContact O-CD2 3.42Å; K64-F66 WeakPolarHBondContact O-CE2 3.33Å; K64-E71 HydrophobicContact CB-CG 4.44Å; K64-E71 WeakPolarHBondContact CD-OE1 3.27Å; K64-E71 IonicContact NZ-OE1 3.6Å
65	P	95.8	Very high	91.4	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.026	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	137	177.4	28.4	-27.2	0	0	0	110.7	C30 M33 I35 I53 Y54 E71 V72	C30-P65 HydrophobicContact CB-CB 4.02Å; C30-P65 HydrophobicContact CB-CG 4.41Å; C30-P65 VanDerWaalsContact SG-N 3.37Å; M33-P65 HydrophobicContact CB-CG 4.26Å; M33-P65 HydrophobicContact CG-CG 4.31Å; M33-P65 HydrophobicContact SD-CG 3.48Å; M33-P65 WeakPolarHBondContact SD-CG 3.46Å; I35-P65 HydrophobicContact CD1-CB 3.97Å; I35-P65 HydrophobicContact CD1-CG 4.39Å; I53-P65 HydrophobicContact CG2-CB 3.46Å; I53-P65 VanDerWaalsContact CG2-CB 3.46Å; Y54-P65 CarbonylContact O-C 3.59Å; P65-E71 WeakPolarHBondContact O-CA 3.42Å; P65-V72 HydrophobicContact CB-CB 4.3Å; P65-V72 HydrophobicContact CG-CB 4.15Å; P65-V72 WeakPolarHBondContact CG-O 3.44Å; P65-V72 PolarHBondContact O-N 3.31Å
66	F	94.4	Very high	91.5	Very high	36 Å²	36	55.9 Å²	55.9	16%	0.158	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.5	177.3	-66.6	-94.1	0	0	0	110.9	Y54 N56 T58 K64 V70 E71	Y54-F66 PolarHBondContact N-O 2.92Å; Y54-F66 PolarHBondContact O-N 2.71Å; N56-F66 HydrophobicContact CB-CD2 4.02Å; N56-F66 HydrophobicContact CB-CE2 4.03Å; T58-F66 HydrophobicContact CG2-CE2 4.22Å; T58-F66 HydrophobicContact CG2-CZ 3.95Å; K64-F66 HydrophobicContact CB-CD2 4.48Å; K64-F66 HydrophobicContact CB-CE2 3.66Å; K64-F66 HydrophobicContact CB-CZ 4.08Å; K64-F66 WeakPolarHBondContact O-CD2 3.42Å; K64-F66 WeakPolarHBondContact O-CE2 3.33Å; F66-V70 CarbonylContact C-O 3.56Å; F66-V70 VanDerWaalsContact CA-O 3.26Å; F66-V70 WeakPolarHBondContact CA-O 3.45Å; F66-E71 HydrophobicContact CD1-CB 4.08Å; F66-E71 HydrophobicContact CE1-CB 3.7Å; F66-E71 HydrophobicContact CE1-CG 4.42Å; F66-E71 HydrophobicContact CZ-CB 4.28Å
67	L	90.9	Very high	91.4	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	112.1	165.5	-175.2	77.3	0	0	0	107.2	I53 N69 V70 V72 F109 Y114 L227	I53-L67 HydrophobicContact CD1-CD1 4.28Å; L67-N69 VanDerWaalsContact C-N 3.34Å; L67-N69 PolarHBondContact O-N 3.28Å; L67-V70 HydrophobicContact CB-CG2 4.17Å; L67-V70 PolarHBondContact N-O 3.26Å; L67-V70 WeakPolarHBondContact O-CG2 3.41Å; L67-V70 PolarHBondContact O-N 2.99Å; L67-V72 HydrophobicContact CB-CG2 3.72Å; L67-F109 HydrophobicContact CD2-CE1 4.07Å; L67-Y114 HydrophobicContact CD1-CE1 4.35Å; L67-Y114 HydrophobicContact CD1-CE2 3.54Å; L67-Y114 VanDerWaalsContact CD1-CZ 3.45Å; L67-Y114 VanDerWaalsContact CD1-OH 3.23Å; L67-Y114 WeakPolarHBondContact CD1-OH 3.45Å; L67-Y114 HydrophobicContact CD2-CD1 3.92Å; L67-Y114 HydrophobicContact CD2-CD2 3.68Å; L67-Y114 HydrophobicContact CD2-CE1 3.74Å; L67-Y114 HydrophobicContact CD2-CE2 3.48Å; L67-Y114 VanDerWaalsContact CD2-CE2 3.48Å; L67-Y114 HydrophobicContact CD2-CG 3.92Å; L67-Y114 HydrophobicContact CG-CE2 3.97Å; L67-L227 HydrophobicContact CD2-CD1 4.04Å
68	I	85.2	Confident	91.3	Very high	64 Å²	64	50.8 Å²	50.8	33%	0.328	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	-91.8	-171.9	-49.7	171.1	0	0	0	110.6	F109 W112	I68-F109 HydrophobicContact CD1-CD1 3.79Å; I68-F109 HydrophobicContact CD1-CE1 3.68Å; I68-W112 HydrophobicContact CD1-CD2 3.9Å; I68-W112 HydrophobicContact CD1-CG 3.89Å; I68-W112 HydrophobicContact CD1-CZ2 4.16Å; I68-W112 VanDerWaalsContact CD1-NE1 3.33Å; I68-W112 HydrophobicContact CG1-CD2 4.4Å; I68-W112 HydrophobicContact CG1-CZ2 4.15Å
69	N	86.5	Confident	91.5	Very high	86 Å²	86	54.2 Å²	54.2	46%	0.46	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	8.3	-178.7	64.7	-19	0	0	0	112.8	L67 W105	L67-N69 VanDerWaalsContact C-N 3.34Å; L67-N69 PolarHBondContact O-N 3.28Å; N69-W105 WeakPolarHBondContact ND2-CH2 3.33Å
70	V	91.7	Very high	92	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.2	178	-65.5	0	0	0	0	110.9	F66 L67 V72 A84 W105 L107 F109	F66-V70 CarbonylContact C-O 3.56Å; F66-V70 VanDerWaalsContact CA-O 3.26Å; F66-V70 WeakPolarHBondContact CA-O 3.45Å; L67-V70 HydrophobicContact CB-CG2 4.17Å; L67-V70 PolarHBondContact N-O 3.26Å; L67-V70 WeakPolarHBondContact O-CG2 3.41Å; L67-V70 PolarHBondContact O-N 2.99Å; V70-V72 PolarHBondContact O-N 2.9Å; V70-A84 HydrophobicContact CB-CB 4.45Å; V70-A84 HydrophobicContact CG2-CB 4.12Å; V70-W105 HydrophobicContact CG1-CZ2 4.2Å; V70-L107 HydrophobicContact CG1-CD1 3.92Å; V70-L107 HydrophobicContact CG1-CD2 3.73Å; V70-L107 HydrophobicContact CG1-CG 4.46Å; V70-F109 HydrophobicContact CG2-CZ 4.33Å
71	E	93.7	Very high	92.5	Very high	33 Å²	33	44.4 Å²	44.4	15%	0.154	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	132.7	176.2	-178.6	177	164.3	0	0	109.5	K64 P65 F66 A84 L85	K64-E71 HydrophobicContact CB-CG 4.44Å; K64-E71 WeakPolarHBondContact CD-OE1 3.27Å; K64-E71 IonicContact NZ-OE1 3.6Å; P65-E71 WeakPolarHBondContact O-CA 3.42Å; F66-E71 HydrophobicContact CD1-CB 4.08Å; F66-E71 HydrophobicContact CE1-CB 3.7Å; F66-E71 HydrophobicContact CE1-CG 4.42Å; F66-E71 HydrophobicContact CZ-CB 4.28Å; E71-A84 CarbonylContact O-C 3.46Å; E71-A84 WeakPolarHBondContact O-CA 3.11Å; E71-A84 WeakPolarHBondContact O-CB 3.34Å; E71-L85 HydrophobicContact CB-CB 4.38Å; E71-L85 HydrophobicContact CB-CD1 4.18Å; E71-L85 HydrophobicContact CG-CD1 4.39Å; E71-L85 PolarHBondContact O-N 3.44Å
72	V	95.4	Very high	92.9	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.6	176.3	179	0	0	0	0	108.9	M33 I53 P65 L67 V70 I75 T82	M33-V72 HydrophobicContact CE-CG1 3.7Å; M33-V72 HydrophobicContact SD-CG1 4.12Å; I53-V72 HydrophobicContact CD1-CG2 4.21Å; P65-V72 HydrophobicContact CB-CB 4.3Å; P65-V72 HydrophobicContact CG-CB 4.15Å; P65-V72 WeakPolarHBondContact CG-O 3.44Å; P65-V72 PolarHBondContact O-N 3.31Å; L67-V72 HydrophobicContact CB-CG2 3.72Å; V70-V72 PolarHBondContact O-N 2.9Å; V72-I75 HydrophobicContact CG1-CD1 4.27Å; V72-I75 HydrophobicContact CG1-CG1 3.9Å; V72-T82 HydrophobicContact CG1-CG2 3.62Å; V72-T82 HydrophobicContact CG2-CG2 4.2Å
73	L	94.2	Very high	93.2	Very high	65 Å²	65	44.5 Å²	44.5	34%	0.34	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-36.3	179.5	-61.5	177.8	0	0	0	112.4	R83 L85 P224	L73-R83 HydrophobicContact CB-CB 4.1Å; L73-R83 PolarHBondContact N-O 3.43Å; L73-L85 HydrophobicContact CD1-CD2 3.84Å; L73-L85 HydrophobicContact CD1-CG 4.08Å; L73-L85 HydrophobicContact CD2-CD1 4.15Å; L73-L85 HydrophobicContact CD2-CD2 4.32Å; L73-L85 HydrophobicContact CD2-CG 3.92Å; L73-L85 HydrophobicContact CG-CD2 4.4Å; L73-L85 HydrophobicContact CG-CG 4.1Å; L73-P224 HydrophobicContact CD1-CB 4.17Å; L73-P224 HydrophobicContact CD1-CG 4.29Å
74	N	94.8	Very high	93.2	Very high	84 Å²	84	40.1 Å²	40.1	45%	0.449	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	149.1	-179.8	-166	3.9	0	0	0	111	M33 T82 R83	M33-N74 VanDerWaalsContact CE-CA 3.44Å; N74-T82 CarbonylContact O-C 3.59Å; N74-T82 WeakPolarHBondContact O-CA 3.31Å; N74-R83 HydrophobicContact CB-CB 4.3Å; N74-R83 PolarHBondContact N-O 3.39Å; N74-R83 PolarHBondContact O-N 2.98Å
75	I	95.5	Very high	93.2	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.067	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.1	172.4	-65.1	163.4	0	0	0	107.9	M33 I35 P36 F39 I53 V72 L77 T82	M33-I75 HydrophobicContact CE-CB 4.09Å; M33-I75 HydrophobicContact CE-CD1 3.83Å; M33-I75 HydrophobicContact CE-CG1 3.65Å; I35-I75 HydrophobicContact CD1-CD1 4.33Å; P36-I75 HydrophobicContact CG-CB 4.3Å; P36-I75 HydrophobicContact CG-CG2 3.91Å; F39-I75 HydrophobicContact CB-CD1 4.25Å; F39-I75 HydrophobicContact CD1-CD1 3.89Å; F39-I75 HydrophobicContact CD2-CD1 4.27Å; F39-I75 HydrophobicContact CD2-CG2 3.74Å; F39-I75 HydrophobicContact CE1-CD1 4.22Å; F39-I75 HydrophobicContact CE2-CG2 3.55Å; F39-I75 HydrophobicContact CG-CD1 3.9Å; F39-I75 HydrophobicContact CG-CG2 4.45Å; F39-I75 HydrophobicContact CZ-CG2 4.07Å; I53-I75 HydrophobicContact CD1-CD1 4.32Å; I53-I75 HydrophobicContact CG1-CD1 4.48Å; V72-I75 HydrophobicContact CG1-CD1 4.27Å; V72-I75 HydrophobicContact CG1-CG1 3.9Å; I75-L77 HydrophobicContact CG2-CD2 4.38Å; I75-T82 HydrophobicContact CG1-CG2 4.03Å
76	S	94.4	Very high	93.1	Very high	33 Å²	33	37.1 Å²	37.1	23%	0.231	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	109.5	173.3	-170.8	0	0	0	0	109.8	H79 G80 Q81	S76-H79 PolarHBondContact OG-ND1 3.48Å; S76-G80 PolarHBondContact O-N 3.31Å; S76-Q81 PolarHBondContact N-O 3.28Å; S76-Q81 PolarHBondContact O-N 3.15Å
77	L	92.4	Very high	93.1	Very high	21 Å²	21	36.3 Å²	36.3	11%	0.11	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-46.5	174.4	-64.6	-171.7	0	0	0	111.9	P36 Y37 I75 H79 G80 W229 N273 Y275	P36-L77 HydrophobicContact CB-CD1 3.94Å; P36-L77 HydrophobicContact CB-CD2 4.33Å; P36-L77 HydrophobicContact CB-CG 4.12Å; P36-L77 HydrophobicContact CG-CD1 4.41Å; P36-L77 HydrophobicContact CG-CD2 4.05Å; P36-L77 HydrophobicContact CG-CG 4.03Å; Y37-L77 WeakPolarHBondContact O-CD1 3.44Å; I75-L77 HydrophobicContact CG2-CD2 4.38Å; L77-H79 VanDerWaalsContact C-N 3.27Å; L77-H79 PolarHBondContact O-N 3.4Å; L77-G80 PolarHBondContact O-N 3Å; L77-W229 HydrophobicContact CD2-CH2 3.95Å; L77-W229 HydrophobicContact CD2-CZ2 3.91Å; L77-N273 HydrophobicContact CD1-CB 4.21Å; L77-Y275 HydrophobicContact CB-CE2 4.49Å; L77-Y275 HydrophobicContact CD1-CD2 4.35Å; L77-Y275 HydrophobicContact CD2-CE2 4.25Å
78	L	89.6	Confident	93.1	Very high	109 Å²	109	36.7 Å²	36.7	57%	0.571	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-38.9	-175.4	-179.1	65.1	0	0	0	113.2	N265	L78-N265 PolarHBondContact O-OD1 2.79Å
79	H	90.8	Very high	93.6	Very high	108 Å²	108	33.7 Å²	33.7	50%	0.5	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-7.1	-179	-56.1	99.4	0	0	0	112.8	S76 L77 Q81	S76-H79 PolarHBondContact OG-ND1 3.48Å; L77-H79 VanDerWaalsContact C-N 3.27Å; L77-H79 PolarHBondContact O-N 3.4Å; H79-Q81 VanDerWaalsContact C-N 3.3Å; H79-Q81 HydrophobicContact CB-CB 4.19Å; H79-Q81 HydrophobicContact CB-CG 4.04Å; H79-Q81 PolarHBondContact O-N 3.38Å
80	G	94.5	Very high	93.9	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.01	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	38.7	-171.6	0	0	0	0	0	112.5	S76 L77 D228 W229	S76-G80 PolarHBondContact O-N 3.31Å; L77-G80 PolarHBondContact O-N 3Å; G80-D228 WeakPolarHBondContact O-CA 3.2Å; G80-W229 VanDerWaalsContact C-CE2 3.48Å; G80-W229 VanDerWaalsContact O-CD1 3.32Å; G80-W229 PolarHBondContact O-N 3.01Å; G80-W229 PolarHBondContact O-NE1 2.96Å
81	Q	96.3	Very high	93.9	Very high	30 Å²	30	32.9 Å²	32.9	14%	0.14	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.6	-171.2	-76.3	173.9	-0.5	0	0	112.4	S76 H79 H120 V226 L227 D228	S76-Q81 PolarHBondContact N-O 3.28Å; S76-Q81 PolarHBondContact O-N 3.15Å; H79-Q81 VanDerWaalsContact C-N 3.3Å; H79-Q81 HydrophobicContact CB-CB 4.19Å; H79-Q81 HydrophobicContact CB-CG 4.04Å; H79-Q81 PolarHBondContact O-N 3.38Å; Q81-H120 PolarHBondContact NE2-CD2 2.8Å; Q81-H120 PolarHBondContact NE2-NE2 3.2Å; Q81-V226 HydrophobicContact CB-CG1 4.03Å; Q81-V226 HydrophobicContact CG-CG1 3.88Å; Q81-L227 CarbonylContact C-O 3.5Å; Q81-L227 VanDerWaalsContact CA-O 3.3Å; Q81-L227 WeakPolarHBondContact CA-O 3.43Å; Q81-D228 WeakPolarHBondContact CG-OD1 3.33Å; Q81-D228 PolarHBondContact NE2-OD1 3.1Å
82	T	96.2	Very high	93.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121	172.4	-60.4	0	0	0	0	108.8	F39 V72 N74 I75 L227 W229	F39-T82 WeakPolarHBondContact CZ-OG1 3.44Å; V72-T82 HydrophobicContact CG1-CG2 3.62Å; V72-T82 HydrophobicContact CG2-CG2 4.2Å; N74-T82 CarbonylContact O-C 3.59Å; N74-T82 WeakPolarHBondContact O-CA 3.31Å; I75-T82 HydrophobicContact CG1-CG2 4.03Å; T82-L227 PolarHBondContact N-O 3.05Å; T82-L227 PolarHBondContact O-N 3.18Å; T82-W229 PolarHBondContact OG1-NE1 2.84Å
83	R	96.5	Very high	93.2	Very high	77 Å²	77	36.6 Å²	36.6	29%	0.291	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	131.7	171.3	-67.4	-175.7	65.7	-151.4	0.4	108.9	L73 N74 E199 V225 V226	L73-R83 HydrophobicContact CB-CB 4.1Å; L73-R83 PolarHBondContact N-O 3.43Å; N74-R83 HydrophobicContact CB-CB 4.3Å; N74-R83 PolarHBondContact N-O 3.39Å; N74-R83 PolarHBondContact O-N 2.98Å; R83-E199 IonicContact CZ-OE1 3.24Å; R83-E199 VanDerWaalsContact CZ-OE1 3.3Å; R83-E199 IonicContact CZ-OE2 2.67Å; R83-E199 VanDerWaalsContact NE-CD 3.31Å; R83-E199 IonicContact NE-OE1 3.85Å; R83-E199 PolarHBondContact NE-OE1 2.83Å; R83-E199 VanDerWaalsContact NE-OE1 3.15Å; R83-E199 IonicContact NE-OE2 3.3Å; R83-E199 PolarHBondContact NE-OE2 3.3Å; R83-E199 VanDerWaalsContact NH2-CD 3.33Å; R83-E199 IonicContact NH2-OE1 3.15Å; R83-E199 PolarHBondContact NH2-OE1 2.68Å; R83-E199 IonicContact NH2-OE2 2.77Å; R83-E199 PolarHBondContact NH2-OE2 2.96Å; R83-V225 CarbonylContact C-O 3.27Å; R83-V225 WeakPolarHBondContact CA-O 3.24Å; R83-V226 HydrophobicContact CG-CG2 4.27Å
84	A	95.1	Very high	92.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.008	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	165.1	180	0	0	0	0	0	111.4	V70 E71 P224 V225 L227	V70-A84 HydrophobicContact CB-CB 4.45Å; V70-A84 HydrophobicContact CG2-CB 4.12Å; E71-A84 CarbonylContact O-C 3.46Å; E71-A84 WeakPolarHBondContact O-CA 3.11Å; E71-A84 WeakPolarHBondContact O-CB 3.34Å; A84-P224 CarbonylContact O-C 3.53Å; A84-P224 WeakPolarHBondContact O-CA 3.49Å; A84-V225 HydrophobicContact CB-CG1 4.36Å; A84-V225 PolarHBondContact N-O 3.43Å; A84-V225 PolarHBondContact O-N 2.94Å; A84-L227 HydrophobicContact CB-CD1 4.37Å
85	L	93.8	Very high	92	Very high	10 Å²	10	37 Å²	37	5%	0.052	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.3	172.3	-70.6	176.9	0	0	0	110.7	E71 L73 Q222 P224	E71-L85 HydrophobicContact CB-CB 4.38Å; E71-L85 HydrophobicContact CB-CD1 4.18Å; E71-L85 HydrophobicContact CG-CD1 4.39Å; E71-L85 PolarHBondContact O-N 3.44Å; L73-L85 HydrophobicContact CD1-CD2 3.84Å; L73-L85 HydrophobicContact CD1-CG 4.08Å; L73-L85 HydrophobicContact CD2-CD1 4.15Å; L73-L85 HydrophobicContact CD2-CD2 4.32Å; L73-L85 HydrophobicContact CD2-CG 3.92Å; L73-L85 HydrophobicContact CG-CD2 4.4Å; L73-L85 HydrophobicContact CG-CG 4.1Å; L85-Q222 HydrophobicContact CB-CB 4.16Å; L85-Q222 HydrophobicContact CD2-CB 4.42Å; L85-P224 HydrophobicContact CD2-CG 4.45Å
86	N	93.8	Very high	91.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127	177.2	-177	38	0	0	0	109.8	W105 L107 Y173 L197 Q222 Q223 V225	N86-W105 PolarHBondContact OD1-NE1 3.26Å; N86-L107 VanDerWaalsContact OD1-CD1 3.23Å; N86-L107 WeakPolarHBondContact OD1-CD1 3.5Å; N86-Y173 VanDerWaalsContact CG-OH 3.3Å; N86-Y173 PolarHBondContact ND2-OH 3.22Å; N86-Y173 PolarHBondContact OD1-OH 3.02Å; N86-L197 PolarHBondContact ND2-O 3.15Å; N86-Q222 CarbonylContact O-C 3.52Å; N86-Q222 VanDerWaalsContact O-CA 3.23Å; N86-Q222 WeakPolarHBondContact O-CA 3.44Å; N86-Q223 PolarHBondContact N-O 3.24Å; N86-Q223 PolarHBondContact O-N 3.35Å; N86-V225 HydrophobicContact CB-CB 3.97Å; N86-V225 HydrophobicContact CB-CG1 3.78Å
87	A	93.1	Very high	91.1	Very high	19 Å²	19	44.3 Å²	44.3	16%	0.157	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	148.6	178.2	0	0	0	0	0	111.8	W105 Q222	A87-W105 HydrophobicContact CB-CB 4.33Å; A87-W105 HydrophobicContact CB-CD2 3.7Å; A87-W105 HydrophobicContact CB-CE3 4.24Å; A87-W105 HydrophobicContact CB-CG 3.73Å; A87-W105 HydrophobicContact CB-CZ2 4.37Å; A87-Q222 HydrophobicContact CB-CG 4.34Å
88	L	92.7	Very high	90.5	Very high	11 Å²	11	49.9 Å²	49.9	6%	0.058	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-80.4	136.9	178	-61.5	176	0	0	0	110.4	T90 Y194 A196 F215 G221 Q223	L88-T90 HydrophobicContact CB-CG2 4.46Å; L88-Y194 HydrophobicContact CD1-CD1 4.33Å; L88-A196 HydrophobicContact CD2-CB 3.45Å; L88-A196 VanDerWaalsContact CD2-CB 3.45Å; L88-F215 HydrophobicContact CD1-CD1 3.54Å; L88-F215 HydrophobicContact CD1-CE1 3.46Å; L88-F215 VanDerWaalsContact CD1-CE1 3.46Å; L88-F215 HydrophobicContact CD1-CG 4.43Å; L88-F215 HydrophobicContact CD1-CZ 4.26Å; L88-F215 HydrophobicContact CD2-CE1 3.61Å; L88-F215 HydrophobicContact CD2-CZ 4.07Å; L88-F215 HydrophobicContact CG-CE1 4.17Å; L88-G221 WeakPolarHBondContact CB-O 3.47Å; L88-G221 VanDerWaalsContact CG-O 3.29Å; L88-G221 WeakPolarHBondContact CG-O 3.46Å; L88-G221 PolarHBondContact N-O 2.88Å; L88-Q223 HydrophobicContact CD2-CB 4.37Å; L88-Q223 HydrophobicContact CD2-CG 3.71Å; L88-Q223 HydrophobicContact CG-CG 4.4Å
89	S	94.9	Very high	90.2	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.007	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	136.4	158.9	-64.6	0	0	0	0	108.9	S103 W105 V175 F177 Y194 A195	S89-S103 CarbonylContact C-O 3.57Å; S89-S103 VanDerWaalsContact CA-O 3.31Å; S89-S103 WeakPolarHBondContact CA-O 3.18Å; S89-W105 PolarHBondContact OG-N 2.95Å; S89-W105 PolarHBondContact OG-O 3.37Å; S89-V175 WeakPolarHBondContact OG-CG2 3.39Å; S89-F177 WeakPolarHBondContact O-CZ 3.3Å; S89-Y194 WeakPolarHBondContact O-CA 3.46Å; S89-A195 WeakPolarHBondContact CB-O 3.37Å; S89-A195 PolarHBondContact N-O 3.18Å; S89-A195 PolarHBondContact O-N 2.77Å
90	T	93.3	Very high	89.9	Confident	18 Å²	18	45.1 Å²	45.1	11%	0.11	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	148.2	-176.5	67.7	0	0	0	0	110.9	L88 S102 S103 S193 Y194	L88-T90 HydrophobicContact CB-CG2 4.46Å; T90-S102 CarbonylContact O-C 3.16Å; T90-S102 VanDerWaalsContact O-CA 3.24Å; T90-S102 WeakPolarHBondContact O-CA 3.36Å; T90-S103 PolarHBondContact N-O 3.4Å; T90-S103 PolarHBondContact O-N 2.83Å; T90-S103 WeakPolarHBondContact OG1-CB 3.47Å; T90-S193 CarbonylContact C-O 3.6Å; T90-S193 WeakPolarHBondContact CA-O 3.49Å; T90-Y194 HydrophobicContact CG2-CD1 3.79Å; T90-Y194 HydrophobicContact CG2-CE1 3.89Å
91	Y	91.3	Very high	89.5	Confident	54 Å²	54	48.9 Å²	48.9	21%	0.212	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	96.9	170.8	-175	-128.4	0	0	0	108.5	M100 E101 F177 C192 S193	Y91-M100 HydrophobicContact CD1-CE 3.39Å; Y91-M100 HydrophobicContact CD2-CB 4.24Å; Y91-M100 HydrophobicContact CD2-CE 4.35Å; Y91-M100 HydrophobicContact CE1-CB 3.99Å; Y91-M100 HydrophobicContact CE1-CE 3.44Å; Y91-M100 VanDerWaalsContact CE1-CE 3.44Å; Y91-M100 HydrophobicContact CE1-CG 4.26Å; Y91-M100 HydrophobicContact CE2-CB 3.44Å; Y91-M100 VanDerWaalsContact CE2-CB 3.44Å; Y91-M100 HydrophobicContact CE2-CE 4.4Å; Y91-M100 HydrophobicContact CG-CE 3.89Å; Y91-M100 WeakPolarHBondContact O-CE 3.41Å; Y91-M100 VanDerWaalsContact OH-CB 3.22Å; Y91-M100 WeakPolarHBondContact OH-CB 3.41Å; Y91-E101 WeakPolarHBondContact CA-O 3.48Å; Y91-F177 HydrophobicContact CD1-CB 4.04Å; Y91-F177 HydrophobicContact CD1-CG 4.43Å; Y91-F177 HydrophobicContact CG-CB 4.02Å; Y91-F177 HydrophobicContact CG-CD2 4.46Å; Y91-F177 HydrophobicContact CG-CG 4.14Å; Y91-C192 CarbonylContact O-C 3.31Å; Y91-S193 PolarHBondContact N-O 2.79Å; Y91-S193 PolarHBondContact O-N 2.78Å
92	C	89.1	Confident	89.2	Confident	22 Å²	22	49.8 Å²	49.8	15%	0.149	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	148.6	-164.8	-66.6	0	0	0	0	111.7	M100 E101 P191 C192	C92-M100 CarbonylContact O-C 3.52Å; C92-M100 WeakPolarHBondContact O-CA 3.38Å; C92-E101 PolarHBondContact N-O 3.16Å; C92-E101 PolarHBondContact O-N 2.89Å; C92-P191 WeakPolarHBondContact CA-O 3.44Å; C92-C192 HydrophobicContact CB-CB 4.09Å; C92-C192 WeakPolarHBondContact CB-SG 3.43Å; C92-C192 WeakPolarHBondContact SG-CB 3.47Å; C92-C192 CovalentContact SG-SG 2.03Å; C92-C192 PolarHBondContact SG-SG 2.93Å
93	Y	84.3	Confident	89	Confident	92 Å²	92	53.4 Å²	53.4	36%	0.361	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	124.7	171.8	-172.3	-104.2	0	0	0	110	D95 M100 P191	Y93-D95 WeakPolarHBondContact CE1-OD1 3.45Å; Y93-M100 HydrophobicContact CD2-CG 4.41Å; Y93-M100 HydrophobicContact CD2-SD 3.96Å; Y93-M100 HydrophobicContact CG-SD 4.35Å; Y93-P191 PolarHBondContact N-O 3.35Å
94	N	84.1	Confident	88.7	Confident	48 Å²	48	57 Å²	57	26%	0.257	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.5	175.4	-176.8	-24	0	0	0	109.8	V96 T97 K98 S99 E101	N94-V96 PolarHBondContact O-N 3.19Å; N94-V96 WeakPolarHBondContact OD1-CB 3.16Å; N94-V96 PolarHBondContact OD1-N 2.98Å; N94-T97 WeakPolarHBondContact CB-OG1 3.06Å; N94-T97 PolarHBondContact O-N 2.75Å; N94-T97 PolarHBondContact OD1-N 3.11Å; N94-K98 WeakPolarHBondContact O-CA 3.49Å; N94-K98 PolarHBondContact O-N 3.44Å; N94-S99 PolarHBondContact N-O 2.92Å; N94-E101 HydrophobicContact CB-CG 4.19Å; N94-E101 VanDerWaalsContact ND2-CD 3.27Å; N94-E101 PolarHBondContact ND2-OE1 3.24Å; N94-E101 PolarHBondContact ND2-OE2 3.04Å
95	D	80.3	Confident	88.4	Confident	109 Å²	109	60.2 Å²	60.2	58%	0.583	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-25	-178.8	-87.6	-43.8	0	0	0	114.1	Y93 K98	Y93-D95 WeakPolarHBondContact CE1-OD1 3.45Å; D95-K98 VanDerWaalsContact O-CD 3.29Å; D95-K98 WeakPolarHBondContact O-CD 3.48Å; D95-K98 WeakPolarHBondContact O-CE 3.4Å; D95-K98 PolarHBondContact O-NZ 3.02Å; D95-K98 IonicContact OD1-NZ 2.77Å
96	V	85.3	Confident	88.2	Confident	130 Å²	130	62.6 Å²	62.6	79%	0.788	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-48.7	-179.2	-177.5	0	0	0	0	110.3	N94 K98	N94-V96 PolarHBondContact O-N 3.19Å; N94-V96 WeakPolarHBondContact OD1-CB 3.16Å; N94-V96 PolarHBondContact OD1-N 2.98Å; V96-K98 VanDerWaalsContact C-N 3.31Å
97	T	85.8	Confident	88	Confident	70 Å²	70	62.9 Å²	62.9	43%	0.429	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-7.3	-179.6	63.7	0	0	0	0	113	N94 S99 E101	N94-T97 WeakPolarHBondContact CB-OG1 3.06Å; N94-T97 PolarHBondContact O-N 2.75Å; N94-T97 PolarHBondContact OD1-N 3.11Å; T97-S99 PolarHBondContact O-N 2.94Å; T97-S99 VanDerWaalsContact O-N 3.15Å; T97-S99 PolarHBondContact OG1-OG 2.85Å; T97-S99 VanDerWaalsContact OG1-OG 3.14Å; T97-E101 VanDerWaalsContact CB-OE1 3.31Å; T97-E101 WeakPolarHBondContact CB-OE1 3.39Å; T97-E101 WeakPolarHBondContact CG2-OE1 3.47Å; T97-E101 PolarHBondContact OG1-OE1 3.05Å
98	K	80.9	Confident	87.9	Confident	137 Å²	137	66.2 Å²	66.2	60%	0.596	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	29	-176.7	-61.2	-61.3	-177.4	-153.7	0	113	N94 D95 V96	N94-K98 WeakPolarHBondContact O-CA 3.49Å; N94-K98 PolarHBondContact O-N 3.44Å; D95-K98 VanDerWaalsContact O-CD 3.29Å; D95-K98 WeakPolarHBondContact O-CD 3.48Å; D95-K98 WeakPolarHBondContact O-CE 3.4Å; D95-K98 PolarHBondContact O-NZ 3.02Å; D95-K98 IonicContact OD1-NZ 2.77Å; V96-K98 VanDerWaalsContact C-N 3.31Å
99	S	82.6	Confident	87.9	Confident	53 Å²	53	65.7 Å²	65.7	37%	0.371	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	161.8	-178	69	0	0	0	0	111.4	N94 T97	N94-S99 PolarHBondContact N-O 2.92Å; T97-S99 PolarHBondContact O-N 2.94Å; T97-S99 VanDerWaalsContact O-N 3.15Å; T97-S99 PolarHBondContact OG1-OG 2.85Å; T97-S99 VanDerWaalsContact OG1-OG 3.14Å
100	M	83.9	Confident	87.6	Confident	64 Å²	64	68.6 Å²	68.6	32%	0.315	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	123	173.9	-68.3	-71.9	-66.5	0	0	109.3	Y91 C92 Y93	Y91-M100 HydrophobicContact CD1-CE 3.39Å; Y91-M100 HydrophobicContact CD2-CB 4.24Å; Y91-M100 HydrophobicContact CD2-CE 4.35Å; Y91-M100 HydrophobicContact CE1-CB 3.99Å; Y91-M100 HydrophobicContact CE1-CE 3.44Å; Y91-M100 VanDerWaalsContact CE1-CE 3.44Å; Y91-M100 HydrophobicContact CE1-CG 4.26Å; Y91-M100 HydrophobicContact CE2-CB 3.44Å; Y91-M100 VanDerWaalsContact CE2-CB 3.44Å; Y91-M100 HydrophobicContact CE2-CE 4.4Å; Y91-M100 HydrophobicContact CG-CE 3.89Å; Y91-M100 WeakPolarHBondContact O-CE 3.41Å; Y91-M100 VanDerWaalsContact OH-CB 3.22Å; Y91-M100 WeakPolarHBondContact OH-CB 3.41Å; C92-M100 CarbonylContact O-C 3.52Å; C92-M100 WeakPolarHBondContact O-CA 3.38Å; Y93-M100 HydrophobicContact CD2-CG 4.41Å; Y93-M100 HydrophobicContact CD2-SD 3.96Å; Y93-M100 HydrophobicContact CG-SD 4.35Å
101	E	87.4	Confident	87.4	Confident	80 Å²	80	73.2 Å²	73.2	37%	0.374	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.6	-178.4	-70.1	177.9	-176.9	0	0	110.6	Y91 C92 N94 T97	Y91-E101 WeakPolarHBondContact CA-O 3.48Å; C92-E101 PolarHBondContact N-O 3.16Å; C92-E101 PolarHBondContact O-N 2.89Å; N94-E101 HydrophobicContact CB-CG 4.19Å; N94-E101 VanDerWaalsContact ND2-CD 3.27Å; N94-E101 PolarHBondContact ND2-OE1 3.24Å; N94-E101 PolarHBondContact ND2-OE2 3.04Å; T97-E101 VanDerWaalsContact CB-OE1 3.31Å; T97-E101 WeakPolarHBondContact CB-OE1 3.39Å; T97-E101 WeakPolarHBondContact CG2-OE1 3.47Å; T97-E101 PolarHBondContact OG1-OE1 3.05Å
102	S	88.8	Confident	87.4	Confident	50 Å²	50	74.4 Å²	74.4	35%	0.35	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127	177.1	69.2	0	0	0	0	111.7	T90 R104	T90-S102 CarbonylContact O-C 3.16Å; T90-S102 VanDerWaalsContact O-CA 3.24Å; T90-S102 WeakPolarHBondContact O-CA 3.36Å; S102-R104 PolarHBondContact OG-NE 3.35Å
103	S	91.7	Very high	87.6	Confident	75 Å²	75	74 Å²	74	52%	0.524	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	112.8	162.2	-172.5	0	0	0	0	108.3	S89 T90	S89-S103 CarbonylContact C-O 3.57Å; S89-S103 VanDerWaalsContact CA-O 3.31Å; S89-S103 WeakPolarHBondContact CA-O 3.18Å; T90-S103 PolarHBondContact N-O 3.4Å; T90-S103 PolarHBondContact O-N 2.83Å; T90-S103 WeakPolarHBondContact OG1-CB 3.47Å
104	R	90.5	Very high	88.1	Confident	153 Å²	153	69.7 Å²	69.7	58%	0.577	38%	0.375	S	S	*	.			trans	-103.7	133.6	-173.9	-60.7	-179.8	-166.9	171.2	-0.4	110	S102	S102-R104 PolarHBondContact OG-NE 3.35Å
105	W	89.9	Confident	88.6	Confident	68 Å²	68	68.9 Å²	68.9	26%	0.258	37%	0.369	S	S	.	.			trans	-115.6	140.4	172.3	178.7	-109.5	0	0	0	109.6	N69 V70 N86 A87 S89 L107	N69-W105 WeakPolarHBondContact ND2-CH2 3.33Å; V70-W105 HydrophobicContact CG1-CZ2 4.2Å; N86-W105 PolarHBondContact OD1-NE1 3.26Å; A87-W105 HydrophobicContact CB-CB 4.33Å; A87-W105 HydrophobicContact CB-CD2 3.7Å; A87-W105 HydrophobicContact CB-CE3 4.24Å; A87-W105 HydrophobicContact CB-CG 3.73Å; A87-W105 HydrophobicContact CB-CZ2 4.37Å; S89-W105 PolarHBondContact OG-N 2.95Å; S89-W105 PolarHBondContact OG-O 3.37Å; W105-L107 HydrophobicContact CZ2-CD2 3.63Å; W105-L107 HydrophobicContact CZ2-CG 4.08Å
106	S	88.3	Confident	89.4	Confident	60 Å²	60	63.7 Å²	63.7	42%	0.42	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	141.2	177.1	58.2	0	0	0	0	109	Y173 N174	S106-Y173 WeakPolarHBondContact CB-O 3.37Å; S106-N174 WeakPolarHBondContact CB-OD1 3.48Å
107	L	89	Confident	89.9	Confident	6 Å²	6	57.6 Å²	57.6	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.7	172	-76.4	173.2	0	0	0	109.1	V70 N86 W105 F109 F116 S172 Y173	V70-L107 HydrophobicContact CG1-CD1 3.92Å; V70-L107 HydrophobicContact CG1-CD2 3.73Å; V70-L107 HydrophobicContact CG1-CG 4.46Å; N86-L107 VanDerWaalsContact OD1-CD1 3.23Å; N86-L107 WeakPolarHBondContact OD1-CD1 3.5Å; W105-L107 HydrophobicContact CZ2-CD2 3.63Å; W105-L107 HydrophobicContact CZ2-CG 4.08Å; L107-F109 HydrophobicContact CB-CE2 4.13Å; L107-F109 HydrophobicContact CD1-CE2 4.17Å; L107-F109 HydrophobicContact CD1-CZ 4.32Å; L107-F109 HydrophobicContact CD2-CZ 4.49Å; L107-F116 HydrophobicContact CB-CZ 3.85Å; L107-F116 HydrophobicContact CD1-CE1 4.35Å; L107-F116 HydrophobicContact CD1-CZ 4.27Å; L107-S172 VanDerWaalsContact O-CA 3.22Å; L107-S172 WeakPolarHBondContact O-CA 3.4Å; L107-Y173 HydrophobicContact CB-CE1 4.25Å; L107-Y173 PolarHBondContact O-N 3.35Å
108	D	91.9	Very high	90.4	Very high	89 Å²	89	55.4 Å²	55.4	48%	0.476	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	104.8	178.7	-171.1	-7.5	0	0	0	110.3	S110 S172	D108-S110 WeakPolarHBondContact OD1-CB 3.43Å; D108-S110 PolarHBondContact OD1-N 3.08Å; D108-S110 PolarHBondContact OD1-OG 3.24Å; D108-S110 PolarHBondContact OD2-OG 3.45Å; D108-S172 WeakPolarHBondContact OD1-CB 3.47Å
109	F	92.3	Very high	91.1	Very high	1 Å²	1	53.9 Å²	53.9	0%	0.004	29%	0.287	C	S	.	.			trans	-99.7	14.9	174.2	-61.2	-66.3	0	0	0	112.6	L67 I68 V70 L107 T111 W112 Y114 F116 N171 L227	L67-F109 HydrophobicContact CD2-CE1 4.07Å; I68-F109 HydrophobicContact CD1-CD1 3.79Å; I68-F109 HydrophobicContact CD1-CE1 3.68Å; V70-F109 HydrophobicContact CG2-CZ 4.33Å; L107-F109 HydrophobicContact CB-CE2 4.13Å; L107-F109 HydrophobicContact CD1-CE2 4.17Å; L107-F109 HydrophobicContact CD1-CZ 4.32Å; L107-F109 HydrophobicContact CD2-CZ 4.49Å; F109-T111 PolarHBondContact O-N 2.96Å; F109-W112 HydrophobicContact CB-CB 4.24Å; F109-W112 HydrophobicContact CD1-CB 4.29Å; F109-W112 HydrophobicContact CD1-CG 4.5Å; F109-W112 CarbonylContact O-C 3.58Å; F109-W112 WeakPolarHBondContact O-CA 3.36Å; F109-W112 PolarHBondContact O-N 3.48Å; F109-Y114 VanDerWaalsContact CB-O 3.32Å; F109-Y114 WeakPolarHBondContact CB-O 3.4Å; F109-Y114 HydrophobicContact CD1-CD2 4.15Å; F109-Y114 HydrophobicContact CD1-CG 4.44Å; F109-F116 HydrophobicContact CD2-CE1 4.37Å; F109-F116 AromaticContact CD2-CE2 3.97Å; F109-F116 HydrophobicContact CD2-CE2 3.97Å; F109-F116 AromaticContact CD2-CZ 3.7Å; F109-F116 HydrophobicContact CD2-CZ 3.7Å; F109-F116 AromaticContact CE2-CE1 3.95Å; F109-F116 HydrophobicContact CE2-CE1 3.95Å; F109-F116 HydrophobicContact CE2-CE2 4.33Å; F109-F116 AromaticContact CE2-CZ 3.58Å; F109-F116 HydrophobicContact CE2-CZ 3.58Å; F109-N171 WeakPolarHBondContact CA-O 3.41Å; F109-N171 VanDerWaalsContact CB-O 3.32Å; F109-N171 WeakPolarHBondContact CB-O 3.35Å; F109-N171 PolarHBondContact N-O 3.06Å; F109-L227 HydrophobicContact CD2-CD2 4.35Å; F109-L227 HydrophobicContact CE1-CD1 4.4Å; F109-L227 HydrophobicContact CE2-CD1 3.91Å; F109-L227 HydrophobicContact CE2-CD2 3.8Å; F109-L227 HydrophobicContact CZ-CD1 3.72Å; F109-L227 HydrophobicContact CZ-CD2 4.46Å
110	S	88.3	Confident	91.7	Very high	61 Å²	61	53.9 Å²	53.9	43%	0.427	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-31.8	-175.5	60.2	0	0	0	0	114.4	D108 W112	D108-S110 WeakPolarHBondContact OD1-CB 3.43Å; D108-S110 PolarHBondContact OD1-N 3.08Å; D108-S110 PolarHBondContact OD1-OG 3.24Å; D108-S110 PolarHBondContact OD2-OG 3.45Å; S110-W112 VanDerWaalsContact C-N 3.35Å
111	T	88.8	Confident	92.4	Very high	115 Å²	115	50.9 Å²	50.9	71%	0.706	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	0.4	175.3	55.8	0	0	0	0	113.7	F109	F109-T111 PolarHBondContact O-N 2.96Å
112	W	92	Very high	92.8	Very high	80 Å²	80	49.2 Å²	49.2	30%	0.303	26%	0.258	S	S	.	.	S	Bend	trans	-120	161.3	-169.4	-57.9	102.2	0	0	0	110.5	I68 F109 S110 Y114	I68-W112 HydrophobicContact CD1-CD2 3.9Å; I68-W112 HydrophobicContact CD1-CG 3.89Å; I68-W112 HydrophobicContact CD1-CZ2 4.16Å; I68-W112 VanDerWaalsContact CD1-NE1 3.33Å; I68-W112 HydrophobicContact CG1-CD2 4.4Å; I68-W112 HydrophobicContact CG1-CZ2 4.15Å; F109-W112 HydrophobicContact CB-CB 4.24Å; F109-W112 HydrophobicContact CD1-CB 4.29Å; F109-W112 HydrophobicContact CD1-CG 4.5Å; F109-W112 CarbonylContact O-C 3.58Å; F109-W112 WeakPolarHBondContact O-CA 3.36Å; F109-W112 PolarHBondContact O-N 3.48Å; S110-W112 VanDerWaalsContact C-N 3.35Å; W112-Y114 HydrophobicContact CB-CD2 3.88Å; W112-Y114 HydrophobicContact CB-CE2 4.46Å; W112-Y114 PolarHBondContact O-N 3Å
113	P	93.3	Very high	93.1	Very high	14 Å²	14	46.9 Å²	46.9	9%	0.091	24%	0.242	C	C	.	.	S	Bend	trans	-76.6	12.3	-177.1	30.6	-35.6	0	0	0	114	F51 W229 A230	F51-P113 HydrophobicContact CD2-CG 3.84Å; F51-P113 HydrophobicContact CE2-CB 3.7Å; F51-P113 HydrophobicContact CE2-CG 3.44Å; F51-P113 VanDerWaalsContact CE2-CG 3.44Å; F51-P113 HydrophobicContact CZ-CB 3.98Å; F51-P113 HydrophobicContact CZ-CG 3.91Å; P113-W229 VanDerWaalsContact O-CA 3.23Å; P113-W229 WeakPolarHBondContact O-CA 3.1Å; P113-A230 PolarHBondContact O-N 3.03Å
114	Y	95.1	Very high	93.3	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	147.1	-171.9	-54.6	-83.3	0	0	0	113	F39 G50 L67 F109 W112 L227 D228 W229	F39-Y114 HydrophobicContact CE1-CE1 4.03Å; F39-Y114 AromaticContact CE1-CZ 4Å; F39-Y114 WeakPolarHBondContact CE1-OH 3.22Å; F39-Y114 HydrophobicContact CZ-CE1 4.16Å; G50-Y114 WeakPolarHBondContact O-CE2 3.46Å; G50-Y114 PolarHBondContact O-OH 3.4Å; L67-Y114 HydrophobicContact CD1-CE1 4.35Å; L67-Y114 HydrophobicContact CD1-CE2 3.54Å; L67-Y114 VanDerWaalsContact CD1-CZ 3.45Å; L67-Y114 VanDerWaalsContact CD1-OH 3.23Å; L67-Y114 WeakPolarHBondContact CD1-OH 3.45Å; L67-Y114 HydrophobicContact CD2-CD1 3.92Å; L67-Y114 HydrophobicContact CD2-CD2 3.68Å; L67-Y114 HydrophobicContact CD2-CE1 3.74Å; L67-Y114 HydrophobicContact CD2-CE2 3.48Å; L67-Y114 VanDerWaalsContact CD2-CE2 3.48Å; L67-Y114 HydrophobicContact CD2-CG 3.92Å; L67-Y114 HydrophobicContact CG-CE2 3.97Å; F109-Y114 VanDerWaalsContact CB-O 3.32Å; F109-Y114 WeakPolarHBondContact CB-O 3.4Å; F109-Y114 HydrophobicContact CD1-CD2 4.15Å; F109-Y114 HydrophobicContact CD1-CG 4.44Å; W112-Y114 HydrophobicContact CB-CD2 3.88Å; W112-Y114 HydrophobicContact CB-CE2 4.46Å; W112-Y114 PolarHBondContact O-N 3Å; Y114-L227 HydrophobicContact CD1-CB 4.18Å; Y114-L227 HydrophobicContact CD1-CD1 4.41Å; Y114-D228 CarbonylContact C-O 3.47Å; Y114-D228 WeakPolarHBondContact CA-O 3.36Å; Y114-W229 HydrophobicContact CD1-CB 3.67Å; Y114-W229 HydrophobicContact CD1-CG 4.42Å; Y114-W229 HydrophobicContact CE1-CB 3.74Å; Y114-W229 HydrophobicContact CE1-CG 4.16Å
115	R	95.2	Very high	93.6	Very high	31 Å²	31	36.2 Å²	36.2	12%	0.117	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	150.2	171.9	-64.5	166.6	-165.9	116.9	13.5	108.9	S117 L170 N171 L227 D228 N258 P260	R115-S117 PolarHBondContact O-N 3.29Å; R115-L170 CarbonylContact C-O 3.59Å; R115-L170 WeakPolarHBondContact CA-O 3.49Å; R115-N171 HydrophobicContact CG-CB 4.27Å; R115-L227 CarbonylContact O-C 3.58Å; R115-L227 VanDerWaalsContact O-CA 3.28Å; R115-L227 WeakPolarHBondContact O-CA 3.37Å; R115-D228 PolarHBondContact N-O 3.32Å; R115-D228 PolarHBondContact O-N 3.24Å; R115-N258 WeakPolarHBondContact CD-O 3.36Å; R115-N258 PolarHBondContact NH1-O 3.46Å; R115-P260 PolarHBondContact NH1-O 3.31Å; R115-P260 PolarHBondContact NH2-O 3.45Å
116	F	95.8	Very high	93.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	125.6	172.3	-62.1	-77.9	0	0	0	109.1	L107 F109 N118 I166 L170 Y173 L197 V225 L227 N258	L107-F116 HydrophobicContact CB-CZ 3.85Å; L107-F116 HydrophobicContact CD1-CE1 4.35Å; L107-F116 HydrophobicContact CD1-CZ 4.27Å; F109-F116 HydrophobicContact CD2-CE1 4.37Å; F109-F116 AromaticContact CD2-CE2 3.97Å; F109-F116 HydrophobicContact CD2-CE2 3.97Å; F109-F116 AromaticContact CD2-CZ 3.7Å; F109-F116 HydrophobicContact CD2-CZ 3.7Å; F109-F116 AromaticContact CE2-CE1 3.95Å; F109-F116 HydrophobicContact CE2-CE1 3.95Å; F109-F116 HydrophobicContact CE2-CE2 4.33Å; F109-F116 AromaticContact CE2-CZ 3.58Å; F109-F116 HydrophobicContact CE2-CZ 3.58Å; F116-N118 PolarHBondContact O-N 3.19Å; F116-N118 VanDerWaalsContact O-N 3.15Å; F116-I166 HydrophobicContact CB-CD1 3.62Å; F116-L170 HydrophobicContact CD2-CD2 4.41Å; F116-L170 HydrophobicContact CD2-CG 4.22Å; F116-L170 WeakPolarHBondContact CD2-O 3.47Å; F116-L170 PolarHBondContact N-O 2.68Å; F116-Y173 HydrophobicContact CD2-CD1 4.21Å; F116-Y173 HydrophobicContact CE1-CD1 4.34Å; F116-Y173 AromaticContact CE1-CE1 3.82Å; F116-Y173 HydrophobicContact CE1-CE1 3.82Å; F116-Y173 AromaticContact CE2-CD1 3.58Å; F116-Y173 HydrophobicContact CE2-CD1 3.58Å; F116-Y173 AromaticContact CE2-CE1 3.87Å; F116-Y173 HydrophobicContact CE2-CE1 3.87Å; F116-Y173 AromaticContact CZ-CD1 3.67Å; F116-Y173 HydrophobicContact CZ-CD1 3.67Å; F116-Y173 AromaticContact CZ-CE1 3.43Å; F116-Y173 HydrophobicContact CZ-CE1 3.43Å; F116-Y173 VanDerWaalsContact CZ-CE1 3.43Å; F116-L197 HydrophobicContact CB-CD1 3.93Å; F116-L197 HydrophobicContact CD1-CD1 3.49Å; F116-L197 VanDerWaalsContact CD1-CD1 3.49Å; F116-L197 HydrophobicContact CD2-CD1 3.95Å; F116-L197 HydrophobicContact CE1-CD1 3.98Å; F116-L197 HydrophobicContact CE2-CD1 4.41Å; F116-L197 HydrophobicContact CG-CD1 3.48Å; F116-L197 VanDerWaalsContact CG-CD1 3.48Å; F116-L197 HydrophobicContact CZ-CD1 4.43Å; F116-V225 HydrophobicContact CD1-CG2 3.93Å; F116-V225 HydrophobicContact CE1-CG2 4.38Å; F116-L227 HydrophobicContact CD1-CD2 3.58Å; F116-L227 HydrophobicContact CE1-CD2 3.68Å; F116-L227 HydrophobicContact CG-CD2 4.35Å; F116-L227 HydrophobicContact CZ-CD2 4.48Å; F116-N258 PolarHBondContact O-ND2 3.39Å; F116-N258 VanDerWaalsContact O-ND2 3.15Å
117	S	96.8	Very high	93.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	16%	0.158	C	C	.	.			trans	-62.6	118.6	179.4	-170.6	0	0	0	0	110.8	R115 L119 H120 N121 V226 D228	R115-S117 PolarHBondContact O-N 3.29Å; S117-L119 PolarHBondContact O-N 2.97Å; S117-H120 PolarHBondContact OG-CD2 3.36Å; S117-N121 PolarHBondContact N-ND2 2.97Å; S117-N121 WeakPolarHBondContact O-CB 3.31Å; S117-N121 PolarHBondContact O-N 2.51Å; S117-N121 VanDerWaalsContact O-N 3.1Å; S117-N121 PolarHBondContact O-ND2 3.49Å; S117-V226 WeakPolarHBondContact CB-O 3.47Å; S117-V226 PolarHBondContact N-O 3.29Å; S117-D228 VanDerWaalsContact CA-OD2 3.24Å; S117-D228 WeakPolarHBondContact CA-OD2 3.4Å; S117-D228 VanDerWaalsContact CB-OD1 3.25Å; S117-D228 WeakPolarHBondContact CB-OD1 3.38Å; S117-D228 WeakPolarHBondContact CB-OD2 3.49Å; S117-D228 PolarHBondContact OG-OD1 3.34Å; S117-D228 PolarHBondContact OG-OD2 2.97Å; S117-D228 VanDerWaalsContact OG-OD2 3.1Å
118	N	95.2	Very high	93.9	Very high	24 Å²	24	30.9 Å²	30.9	13%	0.128	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.6	-178.5	74.3	-79.5	0	0	0	113.1	F116 I166 K168	F116-N118 PolarHBondContact O-N 3.19Å; F116-N118 VanDerWaalsContact O-N 3.15Å; N118-I166 HydrophobicContact CB-CG1 4.12Å; N118-K168 HydrophobicContact CB-CG 4.23Å
119	L	95.5	Very high	93.7	Very high	106 Å²	106	28.6 Å²	28.6	56%	0.555	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-36.9	179.6	-63.8	178.9	0	0	0	111.8	S117 I257	S117-L119 PolarHBondContact O-N 2.97Å; L119-I257 HydrophobicContact CD1-CD1 4.11Å
120	H	96.6	Very high	93.6	Very high	53 Å²	53	28.6 Å²	28.6	25%	0.245	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-7.3	-173.7	-60.8	-74.7	0	0	0	113.8	Q81 S117 E199 T200 D201 V226	Q81-H120 PolarHBondContact NE2-CD2 2.8Å; Q81-H120 PolarHBondContact NE2-NE2 3.2Å; S117-H120 PolarHBondContact OG-CD2 3.36Å; H120-E199 CarbonylContact O-C 3.59Å; H120-E199 WeakPolarHBondContact O-CA 3.41Å; H120-T200 WeakPolarHBondContact O-CB 3.44Å; H120-T200 PolarHBondContact O-N 2.95Å; H120-T200 PolarHBondContact O-OG1 3.24Å; H120-T200 VanDerWaalsContact O-OG1 3.09Å; H120-D201 IonicContact ND1-OD2 3.1Å; H120-V226 HydrophobicContact CB-CB 3.89Å; H120-V226 HydrophobicContact CB-CG1 4.18Å; H120-V226 HydrophobicContact CB-CG2 3.74Å
121	N	97.2	Very high	93.9	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	150	174.8	-52.7	-57.1	0	0	0	112.9	S117 I166 V198 V225 V226	S117-N121 PolarHBondContact N-ND2 2.97Å; S117-N121 WeakPolarHBondContact O-CB 3.31Å; S117-N121 PolarHBondContact O-N 2.51Å; S117-N121 VanDerWaalsContact O-N 3.1Å; S117-N121 PolarHBondContact O-ND2 3.49Å; N121-I166 HydrophobicContact CB-CD1 4.13Å; N121-V198 VanDerWaalsContact CA-O 3.29Å; N121-V198 WeakPolarHBondContact CA-O 3.24Å; N121-V225 WeakPolarHBondContact OD1-CG2 3.29Å; N121-V226 PolarHBondContact ND2-O 2.96Å; N121-V226 PolarHBondContact OD1-N 3.13Å
122	K	95.8	Very high	94.2	Very high	45 Å²	45	22.7 Å²	22.7	20%	0.196	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.7	166.2	-74.6	175.4	-179.4	176.1	0	110.1	V124 Q163 N164 L197 V198 T200	K122-V124 HydrophobicContact CB-CG2 4.24Å; K122-Q163 HydrophobicContact CD-CB 4.35Å; K122-Q163 HydrophobicContact CD-CG 4.27Å; K122-N164 WeakPolarHBondContact CA-O 3.41Å; K122-L197 WeakPolarHBondContact O-CA 3.24Å; K122-V198 PolarHBondContact N-O 2.68Å; K122-V198 PolarHBondContact O-N 3.06Å; K122-T200 HydrophobicContact CD-CG2 3.94Å; K122-T200 HydrophobicContact CG-CG2 4.46Å
123	F	96.4	Very high	94.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	119.5	163.9	177.3	-123.7	0	0	0	108.4	V125 S132 I134 T141 C143 Q163 N164 I166 A195 L197	F123-V125 HydrophobicContact CD1-CG2 4.21Å; F123-V125 HydrophobicContact CE1-CG2 3.45Å; F123-V125 VanDerWaalsContact CE1-CG2 3.45Å; F123-V125 HydrophobicContact CE2-CG2 4.19Å; F123-V125 HydrophobicContact CZ-CG2 3.44Å; F123-V125 VanDerWaalsContact CZ-CG2 3.44Å; F123-S132 WeakPolarHBondContact CE1-O 3.32Å; F123-I134 HydrophobicContact CB-CD1 4.07Å; F123-I134 HydrophobicContact CD1-CG1 4.36Å; F123-I134 HydrophobicContact CD2-CD1 4.12Å; F123-I134 HydrophobicContact CD2-CG1 4.32Å; F123-I134 HydrophobicContact CD2-CG2 3.7Å; F123-I134 HydrophobicContact CE2-CG2 3.41Å; F123-I134 VanDerWaalsContact CE2-CG2 3.41Å; F123-I134 HydrophobicContact CG-CD1 4.02Å; F123-I134 HydrophobicContact CG-CG1 4.19Å; F123-I134 HydrophobicContact CG-CG2 4.39Å; F123-I134 HydrophobicContact CZ-CG2 3.86Å; F123-T141 HydrophobicContact CB-CG2 4.5Å; F123-T141 HydrophobicContact CD1-CG2 4.33Å; F123-C143 HydrophobicContact CD1-CB 4.33Å; F123-C143 HydrophobicContact CE1-CB 4.2Å; F123-Q163 CarbonylContact O-C 3.46Å; F123-Q163 VanDerWaalsContact O-CA 3.22Å; F123-Q163 WeakPolarHBondContact O-CA 3.34Å; F123-N164 PolarHBondContact N-O 3.22Å; F123-N164 PolarHBondContact O-N 3.22Å; F123-I166 HydrophobicContact CB-CG2 4.18Å; F123-A195 HydrophobicContact CE2-CB 3.96Å; F123-A195 HydrophobicContact CZ-CB 4.08Å; F123-L197 HydrophobicContact CB-CD2 3.79Å; F123-L197 HydrophobicContact CD2-CD2 4.21Å; F123-L197 HydrophobicContact CG-CD2 4.47Å
124	V	95.6	Very high	94.4	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.024	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.1	-176.1	-179.2	0	0	0	0	109.2	K122 I126 C162 Q163 A195 A196 V198 F203	K122-V124 HydrophobicContact CB-CG2 4.24Å; V124-I126 HydrophobicContact CG1-CD1 4.41Å; V124-I126 HydrophobicContact CG1-CG1 3.99Å; V124-C162 WeakPolarHBondContact CA-O 3.24Å; V124-Q163 HydrophobicContact CG2-CB 4.1Å; V124-A195 WeakPolarHBondContact O-CA 3.35Å; V124-A196 PolarHBondContact N-O 3.07Å; V124-A196 PolarHBondContact O-N 3.24Å; V124-A196 VanDerWaalsContact O-N 3.13Å; V124-V198 HydrophobicContact CB-CG2 4.28Å; V124-V198 HydrophobicContact CG2-CB 4.26Å; V124-V198 HydrophobicContact CG2-CG2 4.3Å; V124-F203 HydrophobicContact CG1-CE1 3.76Å; V124-F203 HydrophobicContact CG1-CE2 4.44Å; V124-F203 HydrophobicContact CG1-CZ 3.66Å; V124-F203 HydrophobicContact CG2-CD1 4.29Å; V124-F203 HydrophobicContact CG2-CE1 4.17Å
125	V	95.6	Very high	94.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	122.3	176	-175.9	0	0	0	0	108.4	F123 T130 C143 C161 C162 Y194 A195	F123-V125 HydrophobicContact CD1-CG2 4.21Å; F123-V125 HydrophobicContact CE1-CG2 3.45Å; F123-V125 VanDerWaalsContact CE1-CG2 3.45Å; F123-V125 HydrophobicContact CE2-CG2 4.19Å; F123-V125 HydrophobicContact CZ-CG2 3.44Å; F123-V125 VanDerWaalsContact CZ-CG2 3.44Å; V125-T130 HydrophobicContact CG1-CG2 3.85Å; V125-C143 HydrophobicContact CB-CB 4.02Å; V125-C143 HydrophobicContact CG2-CB 3.51Å; V125-C161 CarbonylContact O-C 3.5Å; V125-C161 WeakPolarHBondContact O-CA 3.41Å; V125-C162 PolarHBondContact N-O 3.34Å; V125-C162 PolarHBondContact O-N 2.99Å; V125-Y194 CarbonylContact C-O 3.55Å; V125-Y194 VanDerWaalsContact CA-O 3.32Å; V125-Y194 WeakPolarHBondContact CA-O 3.43Å; V125-A195 HydrophobicContact CG2-CB 4.29Å
126	I	93.5	Very high	93.9	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.3	179.5	-59	175.9	0	0	0	108.8	V124 G160 S193 Y194 F203 F205 Y209 V210 F215	V124-I126 HydrophobicContact CG1-CD1 4.41Å; V124-I126 HydrophobicContact CG1-CG1 3.99Å; I126-G160 WeakPolarHBondContact CA-O 3.39Å; I126-S193 CarbonylContact O-C 3.37Å; I126-S193 VanDerWaalsContact O-CA 3.24Å; I126-S193 WeakPolarHBondContact O-CA 3.28Å; I126-Y194 HydrophobicContact CB-CD2 4.24Å; I126-Y194 HydrophobicContact CG2-CD2 4.27Å; I126-Y194 PolarHBondContact N-O 3.25Å; I126-Y194 PolarHBondContact O-N 3.19Å; I126-F203 HydrophobicContact CD1-CE2 4.18Å; I126-F203 HydrophobicContact CD1-CZ 3.93Å; I126-F205 HydrophobicContact CD1-CD2 4.39Å; I126-F205 HydrophobicContact CG1-CD2 4.49Å; I126-F205 HydrophobicContact CG2-CE2 4.03Å; I126-Y209 HydrophobicContact CD1-CD2 4.09Å; I126-V210 HydrophobicContact CG2-CG2 3.76Å; I126-F215 HydrophobicContact CD1-CD1 3.96Å; I126-F215 HydrophobicContact CD1-CD2 4.07Å; I126-F215 HydrophobicContact CD1-CE1 3.75Å; I126-F215 HydrophobicContact CD1-CE2 3.91Å; I126-F215 HydrophobicContact CD1-CG 4.11Å; I126-F215 HydrophobicContact CD1-CZ 3.73Å
127	G	91.3	Very high	93.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	139.9	177.8	177	0	0	0	0	0	112.1	S145 G160	G127-S145 VanDerWaalsContact O-CB 3.27Å; G127-S145 WeakPolarHBondContact O-CB 3.05Å; G127-S145 PolarHBondContact O-OG 3.08Å; G127-G160 PolarHBondContact N-O 3.47Å
128	C	89	Confident	92.7	Very high	21 Å²	21	38.4 Å²	38.4	14%	0.142	20%	0.203	C	C	.	.	S	Bend	trans	-110.1	142.5	175.9	-60.7	0	0	0	0	110.6	T130 C147 N190 V210	C128-T130 PolarHBondContact O-N 3.32Å; C128-C147 WeakPolarHBondContact CA-SG 3.42Å; C128-C147 HydrophobicContact CB-CB 3.65Å; C128-C147 WeakPolarHBondContact CB-SG 3.42Å; C128-C147 WeakPolarHBondContact SG-CB 3.38Å; C128-C147 CovalentContact SG-SG 2.02Å; C128-C147 PolarHBondContact SG-SG 3.27Å; C128-N190 HydrophobicContact CB-CB 4.04Å; C128-N190 PolarHBondContact N-ND2 3.39Å; C128-N190 PolarHBondContact O-ND2 3.41Å; C128-V210 WeakPolarHBondContact SG-CG1 3.43Å
129	N	88.5	Confident	92.4	Very high	41 Å²	41	39.9 Å²	39.9	22%	0.219	21%	0.207	C	C	.	.	S	Bend	trans	54.2	38.5	-178.7	-167.9	26.2	0	0	0	112.7	S145 T179 V180 Y181	N129-S145 PolarHBondContact N-O 3.33Å; N129-T179 WeakPolarHBondContact O-CA 3.43Å; N129-V180 PolarHBondContact O-N 2.98Å; N129-V180 WeakPolarHBondContact OD1-CB 3.47Å; N129-V180 PolarHBondContact OD1-N 3.35Å; N129-V180 VanDerWaalsContact OD1-N 3.1Å; N129-Y181 PolarHBondContact ND2-O 2.84Å; N129-Y181 PolarHBondContact OD1-N 2.88Å
130	T	90.8	Very high	92.3	Very high	2 Å²	2	39 Å²	39	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.9	-173.1	-165.9	0	0	0	0	110.3	V125 C128 A144 S145 S193	V125-T130 HydrophobicContact CG1-CG2 3.85Å; C128-T130 PolarHBondContact O-N 3.32Å; T130-A144 WeakPolarHBondContact O-CA 3.28Å; T130-S145 PolarHBondContact N-O 3.24Å; T130-S145 PolarHBondContact O-N 3.3Å; T130-S193 VanDerWaalsContact CB-OG 3.32Å; T130-S193 WeakPolarHBondContact CB-OG 3.34Å; T130-S193 VanDerWaalsContact OG1-CB 3.3Å; T130-S193 WeakPolarHBondContact OG1-CB 3.47Å; T130-S193 PolarHBondContact OG1-OG 3.25Å
131	L	93.2	Very high	92.2	Very high	52 Å²	52	37.2 Å²	37.2	27%	0.272	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123	168.8	-177.6	152.4	0	0	0	106.6	Y133 A144 F177 F178 V180	L131-Y133 HydrophobicContact CD2-CD1 4.13Å; L131-A144 HydrophobicContact CB-CB 4.24Å; L131-A144 HydrophobicContact CD1-CB 4.16Å; L131-A144 HydrophobicContact CG-CB 4.21Å; L131-F177 CarbonylContact O-C 3.57Å; L131-F177 WeakPolarHBondContact O-CA 3.33Å; L131-F178 HydrophobicContact CB-CB 4.28Å; L131-F178 HydrophobicContact CD2-CB 4.17Å; L131-F178 HydrophobicContact CD2-CD2 4.41Å; L131-F178 PolarHBondContact N-O 3.02Å; L131-F178 PolarHBondContact O-N 3.48Å; L131-F178 VanDerWaalsContact O-O 3.1Å; L131-V180 HydrophobicContact CB-CG2 4.01Å
132	S	95.2	Very high	92	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	146	173.5	-174.3	0	0	0	0	109.4	F123 A142 C143 V175 T176 A195	F123-S132 WeakPolarHBondContact CE1-O 3.32Å; S132-A142 WeakPolarHBondContact O-CA 3.34Å; S132-C143 PolarHBondContact N-O 3.24Å; S132-C143 PolarHBondContact O-N 3.12Å; S132-C143 VanDerWaalsContact O-O 3.08Å; S132-V175 WeakPolarHBondContact OG-CG1 3.5Å; S132-T176 WeakPolarHBondContact CA-O 3.32Å; S132-T176 WeakPolarHBondContact CB-O 3.35Å; S132-T176 PolarHBondContact OG-O 2.87Å; S132-A195 WeakPolarHBondContact OG-CB 3.45Å
133	Y	94.3	Very high	92	Very high	60 Å²	60	37.5 Å²	37.5	24%	0.235	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	154	173.8	68.4	-100.9	0	0	0	110.7	L131 Y135 T140 T141 T176 F178	L131-Y133 HydrophobicContact CD2-CD1 4.13Å; Y133-Y135 HydrophobicContact CD2-CD1 4.05Å; Y133-Y135 AromaticContact CE2-CD1 3.55Å; Y133-Y135 HydrophobicContact CE2-CD1 3.55Å; Y133-Y135 HydrophobicContact CE2-CE1 4.28Å; Y133-Y135 HydrophobicContact CE2-CG 4.16Å; Y133-T140 HydrophobicContact CD2-CG2 3.95Å; Y133-T140 HydrophobicContact CG-CG2 4.42Å; Y133-T141 CarbonylContact C-O 3.4Å; Y133-T141 WeakPolarHBondContact CA-O 3.13Å; Y133-T141 WeakPolarHBondContact CB-O 3.43Å; Y133-T176 HydrophobicContact CE1-CG2 4.44Å; Y133-T176 PolarHBondContact N-O 2.96Å; Y133-T176 VanDerWaalsContact N-O 3.14Å; Y133-T176 PolarHBondContact O-N 3.49Å; Y133-F178 HydrophobicContact CD1-CD2 4.24Å; Y133-F178 HydrophobicContact CD1-CE2 4.29Å; Y133-F178 AromaticContact CE1-CD2 3.73Å; Y133-F178 HydrophobicContact CE1-CD2 3.73Å; Y133-F178 AromaticContact CE1-CE2 3.35Å; Y133-F178 HydrophobicContact CE1-CE2 3.35Å; Y133-F178 HydrophobicContact CE1-CZ 4.42Å; Y133-F178 AromaticContact CZ-CE2 3.99Å
134	I	94.8	Very high	91.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	142.4	169.5	56.4	173.8	0	0	0	110.3	F123 T140 T141 I166 L170 Y173 N174 V175 L197	F123-I134 HydrophobicContact CB-CD1 4.07Å; F123-I134 HydrophobicContact CD1-CG1 4.36Å; F123-I134 HydrophobicContact CD2-CD1 4.12Å; F123-I134 HydrophobicContact CD2-CG1 4.32Å; F123-I134 HydrophobicContact CD2-CG2 3.7Å; F123-I134 HydrophobicContact CE2-CG2 3.41Å; F123-I134 VanDerWaalsContact CE2-CG2 3.41Å; F123-I134 HydrophobicContact CG-CD1 4.02Å; F123-I134 HydrophobicContact CG-CG1 4.19Å; F123-I134 HydrophobicContact CG-CG2 4.39Å; F123-I134 HydrophobicContact CZ-CG2 3.86Å; I134-T140 VanDerWaalsContact O-CA 3.3Å; I134-T140 WeakPolarHBondContact O-CA 3.47Å; I134-T141 HydrophobicContact CD1-CG2 3.68Å; I134-T141 HydrophobicContact CG1-CG2 3.41Å; I134-T141 VanDerWaalsContact CG1-CG2 3.41Å; I134-T141 PolarHBondContact N-O 3.47Å; I134-T141 PolarHBondContact O-N 3.41Å; I134-T141 VanDerWaalsContact O-N 3.08Å; I134-I166 HydrophobicContact CD1-CG2 4.17Å; I134-L170 HydrophobicContact CD1-CD2 4.19Å; I134-Y173 HydrophobicContact CB-CD2 4.26Å; I134-Y173 HydrophobicContact CG2-CD2 3.63Å; I134-Y173 HydrophobicContact CG2-CE2 4.35Å; I134-Y173 HydrophobicContact CG2-CG 4.36Å; I134-N174 VanDerWaalsContact CA-O 3.22Å; I134-N174 WeakPolarHBondContact CA-O 3.31Å; I134-V175 HydrophobicContact CG2-CG2 3.9Å; I134-L197 HydrophobicContact CD1-CD2 3.84Å
135	Y	92.4	Very high	91.7	Very high	91 Å²	91	39.1 Å²	39.1	36%	0.357	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	151.2	176.8	74.1	-80.1	0	0	0	111.7	Y133 Y139 N174	Y133-Y135 HydrophobicContact CD2-CD1 4.05Å; Y133-Y135 AromaticContact CE2-CD1 3.55Å; Y133-Y135 HydrophobicContact CE2-CD1 3.55Å; Y133-Y135 HydrophobicContact CE2-CE1 4.28Å; Y133-Y135 HydrophobicContact CE2-CG 4.16Å; Y135-Y139 VanDerWaalsContact CA-O 3.3Å; Y135-Y139 WeakPolarHBondContact CA-O 3.41Å; Y135-N174 HydrophobicContact CD1-CB 3.93Å; Y135-N174 WeakPolarHBondContact CD1-O 3.23Å; Y135-N174 HydrophobicContact CE1-CB 3.42Å; Y135-N174 VanDerWaalsContact CE1-CB 3.42Å; Y135-N174 HydrophobicContact CE2-CB 4.23Å; Y135-N174 PolarHBondContact N-O 3.46Å; Y135-N174 PolarHBondContact O-N 2.95Å
136	N	87.4	Confident	91.4	Very high	40 Å²	40	40.8 Å²	40.8	21%	0.214	23%	0.233	C	C	.	.			trans	-134.7	13.9	173.9	78.9	-20.9	0	0	0	113.7	E138 Y139 L170 S172	N136-E138 PolarHBondContact OD1-N 3.35Å; N136-Y139 PolarHBondContact N-O 2.77Å; N136-Y139 WeakPolarHBondContact OD1-CB 3.33Å; N136-Y139 PolarHBondContact OD1-N 3.32Å; N136-Y139 PolarHBondContact OD1-O 2.92Å; N136-L170 HydrophobicContact CB-CD1 4.37Å; N136-S172 VanDerWaalsContact CB-O 3.23Å; N136-S172 WeakPolarHBondContact CB-O 3.32Å
137	G	82.8	Confident	91.1	Very high	72 Å²	72	41.4 Å²	41.4	74%	0.742	24%	0.238	S	C	*	.	S	Bend	trans	98.6	-34.4	-178.6	0	0	0	0	0	114.1
138	E	85	Confident	90.6	Very high	193 Å²	193	46.3 Å²	46.3	90%	0.902	28%	0.278	S	S	*	.	S	Bend	trans	-109.4	-33.1	178.6	-64.6	-175.9	168.7	0	0	112.6	N136	N136-E138 PolarHBondContact OD1-N 3.35Å
139	Y	89.5	Confident	90.2	Very high	54 Å²	54	53.1 Å²	53.1	21%	0.212	31%	0.305	C	S	.	.			trans	-114.9	140.7	-179.6	177.4	-108.5	0	0	0	110.2	Y135 N136 T141 N165 I166 A167 L170	Y135-Y139 VanDerWaalsContact CA-O 3.3Å; Y135-Y139 WeakPolarHBondContact CA-O 3.41Å; N136-Y139 PolarHBondContact N-O 2.77Å; N136-Y139 WeakPolarHBondContact OD1-CB 3.33Å; N136-Y139 PolarHBondContact OD1-N 3.32Å; N136-Y139 PolarHBondContact OD1-O 2.92Å; Y139-T141 HydrophobicContact CE1-CG2 3.58Å; Y139-T141 VanDerWaalsContact OH-CB 3.27Å; Y139-T141 WeakPolarHBondContact OH-CB 3.14Å; Y139-T141 WeakPolarHBondContact OH-CG2 3.45Å; Y139-N165 PolarHBondContact OH-O 3.32Å; Y139-I166 WeakPolarHBondContact OH-CA 3.5Å; Y139-A167 HydrophobicContact CD2-CB 3.61Å; Y139-A167 HydrophobicContact CE1-CB 4.32Å; Y139-A167 HydrophobicContact CE2-CB 3.38Å; Y139-A167 HydrophobicContact CG-CB 4.18Å; Y139-A167 PolarHBondContact OH-N 3.09Å; Y139-L170 HydrophobicContact CD1-CD1 3.8Å; Y139-L170 HydrophobicContact CE1-CD1 4.5Å; Y139-L170 HydrophobicContact CE1-CD2 4.44Å
140	T	92.7	Very high	90	Very high	89 Å²	89	54.9 Å²	54.9	55%	0.546	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	131.5	169.7	-62	0	0	0	0	109.1	Y133 I134	Y133-T140 HydrophobicContact CD2-CG2 3.95Å; Y133-T140 HydrophobicContact CG-CG2 4.42Å; I134-T140 VanDerWaalsContact O-CA 3.3Å; I134-T140 WeakPolarHBondContact O-CA 3.47Å
141	T	94.2	Very high	89.8	Confident	14 Å²	14	56.1 Å²	56.1	9%	0.086	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.8	169.1	-172.1	0	0	0	0	110	F123 Y133 I134 Y139 N164	F123-T141 HydrophobicContact CB-CG2 4.5Å; F123-T141 HydrophobicContact CD1-CG2 4.33Å; Y133-T141 CarbonylContact C-O 3.4Å; Y133-T141 WeakPolarHBondContact CA-O 3.13Å; Y133-T141 WeakPolarHBondContact CB-O 3.43Å; I134-T141 HydrophobicContact CD1-CG2 3.68Å; I134-T141 HydrophobicContact CG1-CG2 3.41Å; I134-T141 VanDerWaalsContact CG1-CG2 3.41Å; I134-T141 PolarHBondContact N-O 3.47Å; I134-T141 PolarHBondContact O-N 3.41Å; I134-T141 VanDerWaalsContact O-N 3.08Å; Y139-T141 HydrophobicContact CE1-CG2 3.58Å; Y139-T141 VanDerWaalsContact OH-CB 3.27Å; Y139-T141 WeakPolarHBondContact OH-CB 3.14Å; Y139-T141 WeakPolarHBondContact OH-CG2 3.45Å; T141-N164 PolarHBondContact OG1-ND2 3.35Å
142	A	94	Very high	89.7	Confident	45 Å²	45	57.6 Å²	57.6	37%	0.372	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	154.6	-175.3	0	0	0	0	0	110.3	S132 N164	S132-A142 WeakPolarHBondContact O-CA 3.34Å; A142-N164 PolarHBondContact O-ND2 3.07Å
143	C	95.5	Very high	89.6	Confident	7 Å²	7	62 Å²	62	5%	0.047	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.1	168.1	-128.7	0	0	0	0	109.1	F123 V125 S132 C162 Q163	F123-C143 HydrophobicContact CD1-CB 4.33Å; F123-C143 HydrophobicContact CE1-CB 4.2Å; V125-C143 HydrophobicContact CB-CB 4.02Å; V125-C143 HydrophobicContact CG2-CB 3.51Å; S132-C143 PolarHBondContact N-O 3.24Å; S132-C143 PolarHBondContact O-N 3.12Å; S132-C143 VanDerWaalsContact O-O 3.08Å; C143-C162 WeakPolarHBondContact CA-SG 3.44Å; C143-C162 HydrophobicContact CB-CB 3.72Å; C143-C162 WeakPolarHBondContact CB-SG 3.4Å; C143-C162 WeakPolarHBondContact SG-CB 3.21Å; C143-C162 CovalentContact SG-SG 2.03Å; C143-C162 PolarHBondContact SG-SG 3.31Å; C143-Q163 PolarHBondContact SG-N 3.4Å
144	A	94	Very high	89.4	Confident	39 Å²	39	64.6 Å²	64.6	32%	0.322	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.2	177.2	0	0	0	0	0	109.6	T130 L131 C162 V180	T130-A144 WeakPolarHBondContact O-CA 3.28Å; L131-A144 HydrophobicContact CB-CB 4.24Å; L131-A144 HydrophobicContact CD1-CB 4.16Å; L131-A144 HydrophobicContact CG-CB 4.21Å; A144-C162 PolarHBondContact N-SG 3.48Å; A144-C162 VanDerWaalsContact N-SG 3.38Å; A144-C162 VanDerWaalsContact O-CB 3.28Å; A144-C162 WeakPolarHBondContact O-CB 3.44Å; A144-C162 PolarHBondContact O-SG 3.18Å; A144-C162 VanDerWaalsContact O-SG 3.35Å; A144-V180 HydrophobicContact CB-CG2 4.09Å
145	S	92.4	Very high	89.3	Confident	0 Å²	0	66 Å²	66	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.4	178.4	177.3	0	0	0	0	110.5	G127 N129 T130 G158 G160 C161	G127-S145 VanDerWaalsContact O-CB 3.27Å; G127-S145 WeakPolarHBondContact O-CB 3.05Å; G127-S145 PolarHBondContact O-OG 3.08Å; N129-S145 PolarHBondContact N-O 3.33Å; T130-S145 PolarHBondContact N-O 3.24Å; T130-S145 PolarHBondContact O-N 3.3Å; S145-G158 WeakPolarHBondContact CA-O 3.4Å; S145-G160 WeakPolarHBondContact OG-CA 3.45Å; S145-G160 PolarHBondContact OG-N 3.39Å; S145-G160 PolarHBondContact OG-O 3.03Å; S145-C161 PolarHBondContact OG-N 3.2Å; S145-C161 VanDerWaalsContact OG-N 3.13Å
146	V	89	Confident	89.3	Confident	35 Å²	35	62.2 Å²	62.2	21%	0.212	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-129.1	155.8	-178.2	-62.3	0	0	0	0	110.1	G158 V159 G160 V180 Y181	V146-G158 PolarHBondContact N-O 3.11Å; V146-V159 VanDerWaalsContact O-CA 3.26Å; V146-V159 WeakPolarHBondContact O-CA 3.08Å; V146-G160 PolarHBondContact O-N 3.19Å; V146-V180 HydrophobicContact CG1-CB 4.04Å; V146-V180 HydrophobicContact CG1-CG1 3.94Å; V146-V180 HydrophobicContact CG1-CG2 3.93Å; V146-Y181 HydrophobicContact CB-CE2 4.34Å; V146-Y181 HydrophobicContact CG1-CE2 3.7Å
147	C	87.2	Confident	89.5	Confident	14 Å²	14	66.7 Å²	66.7	10%	0.095	41%	0.407	C	S	.	.			trans	-122.9	42.5	-175.3	-62.6	0	0	0	0	112.5	C128 K149 Q188	C128-C147 WeakPolarHBondContact CA-SG 3.42Å; C128-C147 HydrophobicContact CB-CB 3.65Å; C128-C147 WeakPolarHBondContact CB-SG 3.42Å; C128-C147 WeakPolarHBondContact SG-CB 3.38Å; C128-C147 CovalentContact SG-SG 2.02Å; C128-C147 PolarHBondContact SG-SG 3.27Å; C147-K149 CarbonylContact C-O 3.57Å; C147-K149 PolarHBondContact O-N 2.85Å; C147-Q188 PolarHBondContact O-OE1 3.34Å; C147-Q188 VanDerWaalsContact O-OE1 3.13Å
148	A	80.1	Confident	89.9	Confident	102 Å²	102	64 Å²	64	84%	0.843	38%	0.379	S	S	*	.	S	Bend	trans	-61.1	-24.9	173.7	0	0	0	0	0	112.4
149	K	80.8	Confident	90.3	Very high	164 Å²	164	57.1 Å²	57.1	71%	0.713	35%	0.35	S	S	*	.	S	Bend	trans	-122.4	156	169.1	-65.8	-179.1	-179.2	177.5	0	108.8	C147 V159	C147-K149 CarbonylContact C-O 3.57Å; C147-K149 PolarHBondContact O-N 2.85Å; K149-V159 VanDerWaalsContact O-CG1 3.24Å; K149-V159 WeakPolarHBondContact O-CG1 3.38Å
150	A	84.1	Confident	90.4	Very high	79 Å²	79	54.6 Å²	54.6	65%	0.653	34%	0.34	S	S	*	.			trans	-61.3	133.2	174.6	0	0	0	0	0	110.2
151	P	87.3	Confident	90.5	Very high	27 Å²	27	50.3 Å²	50.3	18%	0.175	31%	0.314	C	S	.	.			trans	-65.9	154.9	175.5	28.3	-33.7	0	0	0	110.6	V159 F205 T207	P151-V159 HydrophobicContact CB-CG1 4.47Å; P151-F205 HydrophobicContact CB-CE1 4.07Å; P151-F205 HydrophobicContact CB-CZ 4.17Å; P151-T207 HydrophobicContact CB-CG2 4.13Å; P151-T207 HydrophobicContact CG-CG2 4.1Å; P151-T207 WeakPolarHBondContact O-CG2 3.47Å
152	T	90.9	Very high	90.5	Very high	83 Å²	83	50.6 Å²	50.6	51%	0.509	32%	0.316	S	S	.	.			trans	-118.2	143.5	176.6	49.8	0	0	0	0	110	S155 F205	T152-S155 PolarHBondContact O-N 3.46Å; T152-S155 VanDerWaalsContact OG1-CB 3.31Å; T152-S155 WeakPolarHBondContact OG1-CB 3.5Å; T152-F205 WeakPolarHBondContact O-CD1 3.39Å; T152-F205 WeakPolarHBondContact O-CE1 3.38Å
153	N	92.9	Very high	90.6	Very high	93 Å²	93	51.8 Å²	51.8	50%	0.497	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	146.4	175	-68.9	-22.2	0	0	0	110.3	S155 T207	N153-S155 PolarHBondContact O-N 3.33Å; N153-S155 VanDerWaalsContact O-N 3.07Å; N153-T207 WeakPolarHBondContact OD1-CB 3.39Å; N153-T207 VanDerWaalsContact OD1-CG2 3.31Å; N153-T207 WeakPolarHBondContact OD1-CG2 3.11Å; N153-T207 PolarHBondContact OD1-N 2.87Å; N153-T207 PolarHBondContact OD1-OG1 2.85Å
154	D	90.9	Very high	90.6	Very high	115 Å²	115	54.4 Å²	54.4	62%	0.615	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	6	179.1	-56.2	-59.3	0	0	0	116.4	F205	D154-F205 PolarHBondContact N-O 3.14Å
155	S	92.5	Very high	90.7	Very high	30 Å²	30	57.3 Å²	57.3	21%	0.21	34%	0.338	C	S	.	.			trans	-106.6	130.5	170.9	173.9	0	0	0	0	110.9	T152 N153 D157 F205	T152-S155 PolarHBondContact O-N 3.46Å; T152-S155 VanDerWaalsContact OG1-CB 3.31Å; T152-S155 WeakPolarHBondContact OG1-CB 3.5Å; N153-S155 PolarHBondContact O-N 3.33Å; N153-S155 VanDerWaalsContact O-N 3.07Å; S155-D157 PolarHBondContact OG-OD2 3.41Å; S155-F205 WeakPolarHBondContact O-CD1 3.26Å
156	C	93	Very high	90.8	Very high	12 Å²	12	57.7 Å²	57.7	8%	0.081	34%	0.34	C	S	.	.			trans	-134.4	51.2	-178.7	-167.9	0	0	0	0	111.1	C161 C162 Q163	C156-C161 CarbonylContact C-O 3.55Å; C156-C161 WeakPolarHBondContact CA-O 3.3Å; C156-C161 HydrophobicContact CB-CB 3.75Å; C156-C161 WeakPolarHBondContact CB-SG 3.45Å; C156-C161 WeakPolarHBondContact SG-CB 3.24Å; C156-C161 CovalentContact SG-SG 2.04Å; C156-C161 PolarHBondContact SG-SG 3.11Å; C156-C162 PolarHBondContact SG-N 3.14Å; C156-Q163 HydrophobicContact CB-CG 4.32Å
157	D	91.3	Very high	91	Very high	134 Å²	134	57.7 Å²	57.7	72%	0.717	34%	0.343	S	S	*	.	B	Isolated β-bridge	trans	-107.2	28.2	-169.8	-53.2	-55.5	0	0	0	112.8	S155 C161	S155-D157 PolarHBondContact OG-OD2 3.41Å; D157-C161 PolarHBondContact N-O 3.17Å
158	G	91.3	Very high	91.3	Very high	14 Å²	14	63.4 Å²	63.4	14%	0.144	37%	0.367	C	S	.	.	S	Bend	trans	98.7	1.2	-179.6	0	0	0	0	0	114.8	S145 V146 C161	S145-G158 WeakPolarHBondContact CA-O 3.4Å; V146-G158 PolarHBondContact N-O 3.11Å; G158-C161 VanDerWaalsContact CA-O 3.31Å; G158-C161 WeakPolarHBondContact CA-O 3.39Å; G158-C161 PolarHBondContact N-O 2.83Å
159	V	92	Very high	91.8	Very high	50 Å²	50	60 Å²	60	30%	0.303	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-110.2	101.1	176.6	-172	0	0	0	0	110.9	V146 K149 P151 C161	V146-V159 VanDerWaalsContact O-CA 3.26Å; V146-V159 WeakPolarHBondContact O-CA 3.08Å; K149-V159 VanDerWaalsContact O-CG1 3.24Å; K149-V159 WeakPolarHBondContact O-CG1 3.38Å; P151-V159 HydrophobicContact CB-CG1 4.47Å; V159-C161 PolarHBondContact N-O 2.95Å; V159-C161 PolarHBondContact O-N 2.97Å
160	G	91.7	Very high	92.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	71.5	-24.6	-173.6	0	0	0	0	0	114.9	I126 G127 S145 V146 V210	I126-G160 WeakPolarHBondContact CA-O 3.39Å; G127-G160 PolarHBondContact N-O 3.47Å; S145-G160 WeakPolarHBondContact OG-CA 3.45Å; S145-G160 PolarHBondContact OG-N 3.39Å; S145-G160 PolarHBondContact OG-O 3.03Å; V146-G160 PolarHBondContact O-N 3.19Å; G160-V210 VanDerWaalsContact O-CG2 3.3Å; G160-V210 WeakPolarHBondContact O-CG2 3.49Å
161	C	94.6	Very high	92.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	138.4	173.7	-176.7	0	0	0	0	110.1	V125 S145 C156 D157 G158 V159 F205	V125-C161 CarbonylContact O-C 3.5Å; V125-C161 WeakPolarHBondContact O-CA 3.41Å; S145-C161 PolarHBondContact OG-N 3.2Å; S145-C161 VanDerWaalsContact OG-N 3.13Å; C156-C161 CarbonylContact C-O 3.55Å; C156-C161 WeakPolarHBondContact CA-O 3.3Å; C156-C161 HydrophobicContact CB-CB 3.75Å; C156-C161 WeakPolarHBondContact CB-SG 3.45Å; C156-C161 WeakPolarHBondContact SG-CB 3.24Å; C156-C161 CovalentContact SG-SG 2.04Å; C156-C161 PolarHBondContact SG-SG 3.11Å; D157-C161 PolarHBondContact N-O 3.17Å; G158-C161 VanDerWaalsContact CA-O 3.31Å; G158-C161 WeakPolarHBondContact CA-O 3.39Å; G158-C161 PolarHBondContact N-O 2.83Å; V159-C161 PolarHBondContact N-O 2.95Å; V159-C161 PolarHBondContact O-N 2.97Å; C161-F205 HydrophobicContact CB-CB 4.39Å; C161-F205 HydrophobicContact CB-CD1 4.02Å; C161-F205 HydrophobicContact CB-CD2 3.42Å; C161-F205 VanDerWaalsContact CB-CD2 3.42Å; C161-F205 HydrophobicContact CB-CE1 4.12Å; C161-F205 HydrophobicContact CB-CE2 3.57Å; C161-F205 HydrophobicContact CB-CG 3.65Å; C161-F205 HydrophobicContact CB-CZ 3.91Å
162	C	95.9	Very high	93.3	Very high	20 Å²	20	50.2 Å²	50.2	14%	0.135	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138.2	170.7	-177.8	0	0	0	0	108.7	V124 V125 C143 A144 C156	V124-C162 WeakPolarHBondContact CA-O 3.24Å; V125-C162 PolarHBondContact N-O 3.34Å; V125-C162 PolarHBondContact O-N 2.99Å; C143-C162 WeakPolarHBondContact CA-SG 3.44Å; C143-C162 HydrophobicContact CB-CB 3.72Å; C143-C162 WeakPolarHBondContact CB-SG 3.4Å; C143-C162 WeakPolarHBondContact SG-CB 3.21Å; C143-C162 CovalentContact SG-SG 2.03Å; C143-C162 PolarHBondContact SG-SG 3.31Å; A144-C162 PolarHBondContact N-SG 3.48Å; A144-C162 VanDerWaalsContact N-SG 3.38Å; A144-C162 VanDerWaalsContact O-CB 3.28Å; A144-C162 WeakPolarHBondContact O-CB 3.44Å; A144-C162 PolarHBondContact O-SG 3.18Å; A144-C162 VanDerWaalsContact O-SG 3.35Å; C156-C162 PolarHBondContact SG-N 3.14Å
163	Q	95.9	Very high	93.4	Very high	69 Å²	69	46.3 Å²	46.3	32%	0.322	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.5	174.2	64.4	-178.8	6.8	0	0	111.8	K122 F123 V124 C143 C156	K122-Q163 HydrophobicContact CD-CB 4.35Å; K122-Q163 HydrophobicContact CD-CG 4.27Å; F123-Q163 CarbonylContact O-C 3.46Å; F123-Q163 VanDerWaalsContact O-CA 3.22Å; F123-Q163 WeakPolarHBondContact O-CA 3.34Å; V124-Q163 HydrophobicContact CG2-CB 4.1Å; C143-Q163 PolarHBondContact SG-N 3.4Å; C156-Q163 HydrophobicContact CB-CG 4.32Å
164	N	95.5	Very high	93.5	Very high	63 Å²	63	45 Å²	45	34%	0.337	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.7	175.7	-150.1	-9.9	0	0	0	111.4	K122 F123 T141 A142	K122-N164 WeakPolarHBondContact CA-O 3.41Å; F123-N164 PolarHBondContact N-O 3.22Å; F123-N164 PolarHBondContact O-N 3.22Å; T141-N164 PolarHBondContact OG1-ND2 3.35Å; A142-N164 PolarHBondContact O-ND2 3.07Å
165	N	95.5	Very high	93.6	Very high	99 Å²	99	39.8 Å²	39.8	53%	0.529	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	155.1	175.3	-65.8	-21.7	0	0	0	110	Y139	Y139-N165 PolarHBondContact OH-O 3.32Å
166	I	94.3	Very high	93.6	Very high	9 Å²	9	39.1 Å²	39.1	5%	0.046	22%	0.221	C	C	.	.			trans	-104.4	152.4	173.8	66.2	177	0	0	0	111	F116 N118 N121 F123 I134 Y139 L170 L197	F116-I166 HydrophobicContact CB-CD1 3.62Å; N118-I166 HydrophobicContact CB-CG1 4.12Å; N121-I166 HydrophobicContact CB-CD1 4.13Å; F123-I166 HydrophobicContact CB-CG2 4.18Å; I134-I166 HydrophobicContact CD1-CG2 4.17Å; Y139-I166 WeakPolarHBondContact OH-CA 3.5Å; I166-L170 HydrophobicContact CB-CD2 4.11Å; I166-L170 HydrophobicContact CD1-CD2 4.25Å; I166-L170 HydrophobicContact CG2-CD2 4.3Å; I166-L197 HydrophobicContact CD1-CD1 4.44Å; I166-L197 HydrophobicContact CG2-CD2 3.58Å
167	A	92.8	Very high	93.6	Very high	34 Å²	34	39.4 Å²	39.4	28%	0.281	22%	0.221	S	C	.	.			trans	-72	152.6	176.2	0	0	0	0	0	111.9	Y139	Y139-A167 HydrophobicContact CD2-CB 3.61Å; Y139-A167 HydrophobicContact CE1-CB 4.32Å; Y139-A167 HydrophobicContact CE2-CB 3.38Å; Y139-A167 HydrophobicContact CG-CB 4.18Å; Y139-A167 PolarHBondContact OH-N 3.09Å
168	K	93.4	Very high	93.6	Very high	135 Å²	135	38 Å²	38	59%	0.587	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	145	166.3	-72.1	-170.3	172.3	-154.8	0	110.2	N118 L170 I257	N118-K168 HydrophobicContact CB-CG 4.23Å; K168-L170 VanDerWaalsContact C-N 3.32Å; K168-I257 PolarHBondContact NZ-O 2.81Å
169	G	92.2	Very high	93.4	Very high	29 Å²	29	40.6 Å²	40.6	30%	0.299	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	-3.6	175.9	0	0	0	0	0	115.2	N171 N258	G169-N171 PolarHBondContact O-N 3.23Å; G169-N171 VanDerWaalsContact O-N 3.1Å; G169-N258 PolarHBondContact N-OD1 3.29Å
170	L	94.7	Very high	93.1	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	22%	0.222	C	C	.	.			trans	-62.2	113.9	-179.6	-170.6	68.7	0	0	0	110.5	R115 F116 I134 N136 Y139 I166 K168 S172 L197	R115-L170 CarbonylContact C-O 3.59Å; R115-L170 WeakPolarHBondContact CA-O 3.49Å; F116-L170 HydrophobicContact CD2-CD2 4.41Å; F116-L170 HydrophobicContact CD2-CG 4.22Å; F116-L170 WeakPolarHBondContact CD2-O 3.47Å; F116-L170 PolarHBondContact N-O 2.68Å; I134-L170 HydrophobicContact CD1-CD2 4.19Å; N136-L170 HydrophobicContact CB-CD1 4.37Å; Y139-L170 HydrophobicContact CD1-CD1 3.8Å; Y139-L170 HydrophobicContact CE1-CD1 4.5Å; Y139-L170 HydrophobicContact CE1-CD2 4.44Å; I166-L170 HydrophobicContact CB-CD2 4.11Å; I166-L170 HydrophobicContact CD1-CD2 4.25Å; I166-L170 HydrophobicContact CG2-CD2 4.3Å; K168-L170 VanDerWaalsContact C-N 3.32Å; L170-S172 WeakPolarHBondContact CD1-O 3.4Å; L170-L197 HydrophobicContact CD2-CD1 4.31Å
171	N	93.3	Very high	92.6	Very high	45 Å²	45	47 Å²	47	24%	0.241	25%	0.247	C	C	.	.			trans	-114.2	-17.1	-178.4	57	3.7	0	0	0	113.1	F109 R115 G169	F109-N171 WeakPolarHBondContact CA-O 3.41Å; F109-N171 VanDerWaalsContact CB-O 3.32Å; F109-N171 WeakPolarHBondContact CB-O 3.35Å; F109-N171 PolarHBondContact N-O 3.06Å; R115-N171 HydrophobicContact CG-CB 4.27Å; G169-N171 PolarHBondContact O-N 3.23Å; G169-N171 VanDerWaalsContact O-N 3.1Å
172	S	94.4	Very high	91.6	Very high	17 Å²	17	55 Å²	55	12%	0.119	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156.5	176.2	66	0	0	0	0	110.3	L107 D108 N136 L170	L107-S172 VanDerWaalsContact O-CA 3.22Å; L107-S172 WeakPolarHBondContact O-CA 3.4Å; D108-S172 WeakPolarHBondContact OD1-CB 3.47Å; N136-S172 VanDerWaalsContact CB-O 3.23Å; N136-S172 WeakPolarHBondContact CB-O 3.32Å; L170-S172 WeakPolarHBondContact CD1-O 3.4Å
173	Y	94	Very high	90	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.008	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	148	171.6	72	-84.7	0	0	0	111.8	N86 S106 L107 F116 I134 V175 L197	N86-Y173 VanDerWaalsContact CG-OH 3.3Å; N86-Y173 PolarHBondContact ND2-OH 3.22Å; N86-Y173 PolarHBondContact OD1-OH 3.02Å; S106-Y173 WeakPolarHBondContact CB-O 3.37Å; L107-Y173 HydrophobicContact CB-CE1 4.25Å; L107-Y173 PolarHBondContact O-N 3.35Å; F116-Y173 HydrophobicContact CD2-CD1 4.21Å; F116-Y173 HydrophobicContact CE1-CD1 4.34Å; F116-Y173 AromaticContact CE1-CE1 3.82Å; F116-Y173 HydrophobicContact CE1-CE1 3.82Å; F116-Y173 AromaticContact CE2-CD1 3.58Å; F116-Y173 HydrophobicContact CE2-CD1 3.58Å; F116-Y173 AromaticContact CE2-CE1 3.87Å; F116-Y173 HydrophobicContact CE2-CE1 3.87Å; F116-Y173 AromaticContact CZ-CD1 3.67Å; F116-Y173 HydrophobicContact CZ-CD1 3.67Å; F116-Y173 AromaticContact CZ-CE1 3.43Å; F116-Y173 HydrophobicContact CZ-CE1 3.43Å; F116-Y173 VanDerWaalsContact CZ-CE1 3.43Å; I134-Y173 HydrophobicContact CB-CD2 4.26Å; I134-Y173 HydrophobicContact CG2-CD2 3.63Å; I134-Y173 HydrophobicContact CG2-CE2 4.35Å; I134-Y173 HydrophobicContact CG2-CG 4.36Å; Y173-V175 HydrophobicContact CD2-CG2 3.8Å; Y173-V175 HydrophobicContact CE2-CG2 3.59Å; Y173-L197 HydrophobicContact CD1-CD1 3.7Å; Y173-L197 HydrophobicContact CD1-CG 4.37Å; Y173-L197 HydrophobicContact CE1-CD1 3.65Å; Y173-L197 HydrophobicContact CE1-CG 4.09Å; Y173-L197 HydrophobicContact CG-CD1 4.37Å
174	N	93.4	Very high	88.2	Confident	65 Å²	65	59.7 Å²	59.7	35%	0.348	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.8	167.9	-75	-76.6	0	0	0	109.6	S106 I134 Y135	S106-N174 WeakPolarHBondContact CB-OD1 3.48Å; I134-N174 VanDerWaalsContact CA-O 3.22Å; I134-N174 WeakPolarHBondContact CA-O 3.31Å; Y135-N174 HydrophobicContact CD1-CB 3.93Å; Y135-N174 WeakPolarHBondContact CD1-O 3.23Å; Y135-N174 HydrophobicContact CE1-CB 3.42Å; Y135-N174 VanDerWaalsContact CE1-CB 3.42Å; Y135-N174 HydrophobicContact CE2-CB 4.23Å; Y135-N174 PolarHBondContact N-O 3.46Å; Y135-N174 PolarHBondContact O-N 2.95Å
175	V	93.7	Very high	86	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.03	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	136.5	-179.9	-175.6	0	0	0	0	110.3	S89 S132 I134 Y173 F177 A195	S89-V175 WeakPolarHBondContact OG-CG2 3.39Å; S132-V175 WeakPolarHBondContact OG-CG1 3.5Å; I134-V175 HydrophobicContact CG2-CG2 3.9Å; Y173-V175 HydrophobicContact CD2-CG2 3.8Å; Y173-V175 HydrophobicContact CE2-CG2 3.59Å; V175-F177 HydrophobicContact CG1-CD2 4.46Å; V175-F177 HydrophobicContact CG1-CE2 3.99Å; V175-F177 HydrophobicContact CG1-CZ 4.26Å; V175-A195 HydrophobicContact CG1-CB 3.7Å
176	T	93	Very high	83.8	Confident	17 Å²	17	62 Å²	62	10%	0.104	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.7	169.9	-51.1	0	0	0	0	110.5	S132 Y133 F178	S132-T176 WeakPolarHBondContact CA-O 3.32Å; S132-T176 WeakPolarHBondContact CB-O 3.35Å; S132-T176 PolarHBondContact OG-O 2.87Å; Y133-T176 HydrophobicContact CE1-CG2 4.44Å; Y133-T176 PolarHBondContact N-O 2.96Å; Y133-T176 VanDerWaalsContact N-O 3.14Å; Y133-T176 PolarHBondContact O-N 3.49Å; T176-F178 HydrophobicContact CG2-CD2 4.08Å; T176-F178 HydrophobicContact CG2-CE2 3.4Å; T176-F178 VanDerWaalsContact CG2-CE2 3.4Å; T176-F178 HydrophobicContact CG2-CZ 4.13Å
177	F	92.3	Very high	81.7	Confident	18 Å²	18	67.4 Å²	67.4	8%	0.079	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	144.7	176.3	-67.8	-87.1	0	0	0	111.4	S89 Y91 L131 V175 A195	S89-F177 WeakPolarHBondContact O-CZ 3.3Å; Y91-F177 HydrophobicContact CD1-CB 4.04Å; Y91-F177 HydrophobicContact CD1-CG 4.43Å; Y91-F177 HydrophobicContact CG-CB 4.02Å; Y91-F177 HydrophobicContact CG-CD2 4.46Å; Y91-F177 HydrophobicContact CG-CG 4.14Å; L131-F177 CarbonylContact O-C 3.57Å; L131-F177 WeakPolarHBondContact O-CA 3.33Å; V175-F177 HydrophobicContact CG1-CD2 4.46Å; V175-F177 HydrophobicContact CG1-CE2 3.99Å; V175-F177 HydrophobicContact CG1-CZ 4.26Å; F177-A195 HydrophobicContact CE1-CB 3.63Å; F177-A195 HydrophobicContact CE2-CB 4.48Å; F177-A195 HydrophobicContact CZ-CB 3.51Å
178	F	90.7	Very high	79.9	Confident	104 Å²	104	71.2 Å²	71.2	46%	0.456	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	160.6	173.9	-73.3	-88.6	0	0	0	109.2	L131 Y133 T176	L131-F178 HydrophobicContact CB-CB 4.28Å; L131-F178 HydrophobicContact CD2-CB 4.17Å; L131-F178 HydrophobicContact CD2-CD2 4.41Å; L131-F178 PolarHBondContact N-O 3.02Å; L131-F178 PolarHBondContact O-N 3.48Å; L131-F178 VanDerWaalsContact O-O 3.1Å; Y133-F178 HydrophobicContact CD1-CD2 4.24Å; Y133-F178 HydrophobicContact CD1-CE2 4.29Å; Y133-F178 AromaticContact CE1-CD2 3.73Å; Y133-F178 HydrophobicContact CE1-CD2 3.73Å; Y133-F178 AromaticContact CE1-CE2 3.35Å; Y133-F178 HydrophobicContact CE1-CE2 3.35Å; Y133-F178 HydrophobicContact CE1-CZ 4.42Å; Y133-F178 AromaticContact CZ-CE2 3.99Å; T176-F178 HydrophobicContact CG2-CD2 4.08Å; T176-F178 HydrophobicContact CG2-CE2 3.4Å; T176-F178 VanDerWaalsContact CG2-CE2 3.4Å; T176-F178 HydrophobicContact CG2-CZ 4.13Å
179	T	87	Confident	78.4	Confident	69 Å²	69	69.6 Å²	69.6	42%	0.423	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	142.8	169.7	49.2	0	0	0	0	110.2	N129	N129-T179 WeakPolarHBondContact O-CA 3.43Å
180	V	86.2	Confident	77.4	Confident	48 Å²	48	69.3 Å²	69.3	29%	0.291	38%	0.38	S	S	.	.	S	Bend	trans	-75.2	-40.8	179.3	-178.4	0	0	0	0	110.9	N129 L131 A144 V146	N129-V180 PolarHBondContact O-N 2.98Å; N129-V180 WeakPolarHBondContact OD1-CB 3.47Å; N129-V180 PolarHBondContact OD1-N 3.35Å; N129-V180 VanDerWaalsContact OD1-N 3.1Å; L131-V180 HydrophobicContact CB-CG2 4.01Å; A144-V180 HydrophobicContact CB-CG2 4.09Å; V146-V180 HydrophobicContact CG1-CB 4.04Å; V146-V180 HydrophobicContact CG1-CG1 3.94Å; V146-V180 HydrophobicContact CG1-CG2 3.93Å
181	Y	82.5	Confident	76.8	Confident	137 Å²	137	71 Å²	71	54%	0.537	39%	0.391	S	S	.	.			trans	-124.4	143.5	177.8	-48.4	-68.7	0	0	0	110.1	N129 V146 D183	N129-Y181 PolarHBondContact ND2-O 2.84Å; N129-Y181 PolarHBondContact OD1-N 2.88Å; V146-Y181 HydrophobicContact CB-CE2 4.34Å; V146-Y181 HydrophobicContact CG1-CE2 3.7Å; Y181-D183 PolarHBondContact O-N 3.3Å
182	N	72.4	Confident	76.6	Confident	167 Å²	167	68.9 Å²	68.9	89%	0.893	38%	0.38	S	S	*	.			trans	-77.6	13.6	174	-96.2	3.3	0	0	0	113.6
183	D	63.3	Low	76.4	Confident	87 Å²	87	68.3 Å²	68.3	47%	0.465	38%	0.376	S	S	.	.			trans	-89.4	121	-171	-163.9	-2	0	0	0	111.9	Y181 S185	Y181-D183 PolarHBondContact O-N 3.3Å; D183-S185 PolarHBondContact OD1-N 3.29Å; D183-S185 VanDerWaalsContact OD1-N 3.13Å; D183-S185 PolarHBondContact OD1-OG 3.42Å; D183-S185 VanDerWaalsContact OD1-OG 3.09Å; D183-S185 PolarHBondContact OD2-OG 3.08Å
184	S	57.2	Low	76.5	Confident	100 Å²	100	68.3 Å²	68.3	70%	0.699	38%	0.376	S	S	*	.	S	Bend	trans	-82.8	-12.5	179	50.6	0	0	0	0	113.2	N186	S184-N186 VanDerWaalsContact C-N 3.3Å; S184-N186 PolarHBondContact O-N 2.7Å
185	S	50.7	Low	76.5	Confident	87 Å²	87	65.2 Å²	65.2	61%	0.608	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-10.2	-171.6	71	0	0	0	0	114.8	D183	D183-S185 PolarHBondContact OD1-N 3.29Å; D183-S185 VanDerWaalsContact OD1-N 3.13Å; D183-S185 PolarHBondContact OD1-OG 3.42Å; D183-S185 VanDerWaalsContact OD1-OG 3.09Å; D183-S185 PolarHBondContact OD2-OG 3.08Å
186	N	47.5	Very low	76.6	Confident	123 Å²	123	65.1 Å²	65.1	66%	0.658	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	39.8	-175.8	-85.7	-21.2	0	0	0	112.9	S184 Q188	S184-N186 VanDerWaalsContact C-N 3.3Å; S184-N186 PolarHBondContact O-N 2.7Å; N186-Q188 PolarHBondContact O-N 3.12Å
187	L	51.5	Low	76.7	Confident	124 Å²	124	64.3 Å²	64.3	65%	0.649	35%	0.354	S	S	*	.			trans	-67.9	64	156.5	-89.9	110.7	0	0	0	109.4	S189	L187-S189 PolarHBondContact O-N 3.28Å
188	Q	53.6	Low	76.8	Confident	114 Å²	114	63.5 Å²	63.5	53%	0.533	35%	0.351	S	S	.	.			trans	-53.5	125.5	160	-157.8	161.6	14.5	0	0	106.1	C147 N186 N190	C147-Q188 PolarHBondContact O-OE1 3.34Å; C147-Q188 VanDerWaalsContact O-OE1 3.13Å; N186-Q188 PolarHBondContact O-N 3.12Å; Q188-N190 VanDerWaalsContact C-N 3.29Å; Q188-N190 WeakPolarHBondContact O-CB 3.47Å; Q188-N190 PolarHBondContact O-N 3.1Å
189	S	62.8	Low	77.1	Confident	101 Å²	101	59.2 Å²	59.2	71%	0.706	33%	0.332	S	S	*	.	S	Bend	trans	-38.6	78.7	-167.2	-160.8	0	0	0	0	114.9	L187	L187-S189 PolarHBondContact O-N 3.28Å
190	N	70.5	Confident	77.4	Confident	22 Å²	22	57.4 Å²	57.4	12%	0.118	32%	0.321	C	S	.	.			trans	-118.2	92.8	177.6	179.7	35.1	0	0	0	107.7	C128 Q188 C192 V210	C128-N190 HydrophobicContact CB-CB 4.04Å; C128-N190 PolarHBondContact N-ND2 3.39Å; C128-N190 PolarHBondContact O-ND2 3.41Å; Q188-N190 VanDerWaalsContact C-N 3.29Å; Q188-N190 WeakPolarHBondContact O-CB 3.47Å; Q188-N190 PolarHBondContact O-N 3.1Å; N190-C192 PolarHBondContact O-N 3.09Å; N190-C192 PolarHBondContact OD1-O 3.04Å; N190-V210 PolarHBondContact OD1-O 2.92Å; N190-V210 VanDerWaalsContact OD1-O 3.11Å
191	P	82.2	Confident	77.6	Confident	39 Å²	39	59.8 Å²	59.8	25%	0.253	33%	0.332	S	S	.	.			trans	-66.7	-27.1	-174	26.4	-33.3	0	0	0	112.7	C92 Y93 V210 M213	C92-P191 WeakPolarHBondContact CA-O 3.44Å; Y93-P191 PolarHBondContact N-O 3.35Å; P191-V210 WeakPolarHBondContact CD-O 3.36Å; P191-M213 HydrophobicContact CB-CE 4.48Å; P191-M213 HydrophobicContact CG-CG 4.38Å
192	C	88.9	Confident	77.9	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.007	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	144.7	-174.1	-74.7	0	0	0	0	112.4	Y91 C92 N190 Y194 M213	Y91-C192 CarbonylContact O-C 3.31Å; C92-C192 HydrophobicContact CB-CB 4.09Å; C92-C192 WeakPolarHBondContact CB-SG 3.43Å; C92-C192 WeakPolarHBondContact SG-CB 3.47Å; C92-C192 CovalentContact SG-SG 2.03Å; C92-C192 PolarHBondContact SG-SG 2.93Å; N190-C192 PolarHBondContact O-N 3.09Å; N190-C192 PolarHBondContact OD1-O 3.04Å; C192-Y194 HydrophobicContact CB-CE1 3.98Å; C192-Y194 HydrophobicContact CB-CE2 3.8Å; C192-Y194 VanDerWaalsContact CB-CZ 3.42Å; C192-Y194 VanDerWaalsContact CB-OH 3.27Å; C192-Y194 WeakPolarHBondContact CB-OH 3.37Å; C192-M213 WeakPolarHBondContact SG-CE 3.41Å
193	S	91.8	Very high	78.9	Confident	4 Å²	4	49.6 Å²	49.6	3%	0.028	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	149.3	160.9	-53.8	0	0	0	0	110.6	T90 Y91 I126 T130	T90-S193 CarbonylContact C-O 3.6Å; T90-S193 WeakPolarHBondContact CA-O 3.49Å; Y91-S193 PolarHBondContact N-O 2.79Å; Y91-S193 PolarHBondContact O-N 2.78Å; I126-S193 CarbonylContact O-C 3.37Å; I126-S193 VanDerWaalsContact O-CA 3.24Å; I126-S193 WeakPolarHBondContact O-CA 3.28Å; T130-S193 VanDerWaalsContact CB-OG 3.32Å; T130-S193 WeakPolarHBondContact CB-OG 3.34Å; T130-S193 VanDerWaalsContact OG1-CB 3.3Å; T130-S193 WeakPolarHBondContact OG1-CB 3.47Å; T130-S193 PolarHBondContact OG1-OG 3.25Å
194	Y	94.4	Very high	80.2	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.008	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.8	-178	-53.8	-80.2	0	0	0	110.2	L88 S89 T90 V125 I126 C192 F215 N216	L88-Y194 HydrophobicContact CD1-CD1 4.33Å; S89-Y194 WeakPolarHBondContact O-CA 3.46Å; T90-Y194 HydrophobicContact CG2-CD1 3.79Å; T90-Y194 HydrophobicContact CG2-CE1 3.89Å; V125-Y194 CarbonylContact C-O 3.55Å; V125-Y194 VanDerWaalsContact CA-O 3.32Å; V125-Y194 WeakPolarHBondContact CA-O 3.43Å; I126-Y194 HydrophobicContact CB-CD2 4.24Å; I126-Y194 HydrophobicContact CG2-CD2 4.27Å; I126-Y194 PolarHBondContact N-O 3.25Å; I126-Y194 PolarHBondContact O-N 3.19Å; C192-Y194 HydrophobicContact CB-CE1 3.98Å; C192-Y194 HydrophobicContact CB-CE2 3.8Å; C192-Y194 VanDerWaalsContact CB-CZ 3.42Å; C192-Y194 VanDerWaalsContact CB-OH 3.27Å; C192-Y194 WeakPolarHBondContact CB-OH 3.37Å; Y194-F215 AromaticContact CD1-CD1 4Å; Y194-F215 HydrophobicContact CD1-CD1 4Å; Y194-F215 HydrophobicContact CD2-CB 4.32Å; Y194-F215 AromaticContact CD2-CD1 3.82Å; Y194-F215 HydrophobicContact CD2-CD1 3.82Å; Y194-F215 HydrophobicContact CD2-CG 4.48Å; Y194-F215 HydrophobicContact CE2-CB 4.12Å; Y194-F215 HydrophobicContact CE2-CD1 4.39Å; Y194-F215 AromaticContact CG-CD1 3.59Å; Y194-F215 HydrophobicContact CG-CD1 3.59Å; Y194-F215 HydrophobicContact CG-CE1 4.22Å; Y194-N216 HydrophobicContact CE1-CB 3.75Å
195	A	95	Very high	82	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	130.2	172.3	0	0	0	0	0	111	S89 F123 V124 V125 S132 V175 F177	S89-A195 WeakPolarHBondContact CB-O 3.37Å; S89-A195 PolarHBondContact N-O 3.18Å; S89-A195 PolarHBondContact O-N 2.77Å; F123-A195 HydrophobicContact CE2-CB 3.96Å; F123-A195 HydrophobicContact CZ-CB 4.08Å; V124-A195 WeakPolarHBondContact O-CA 3.35Å; V125-A195 HydrophobicContact CG2-CB 4.29Å; S132-A195 WeakPolarHBondContact OG-CB 3.45Å; V175-A195 HydrophobicContact CG1-CB 3.7Å; F177-A195 HydrophobicContact CE1-CB 3.63Å; F177-A195 HydrophobicContact CE2-CB 4.48Å; F177-A195 HydrophobicContact CZ-CB 3.51Å
196	A	94.3	Very high	84	Confident	2 Å²	2	47.2 Å²	47.2	2%	0.017	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	163.9	178.8	0	0	0	0	0	111.9	L88 V124 V198	L88-A196 HydrophobicContact CD2-CB 3.45Å; L88-A196 VanDerWaalsContact CD2-CB 3.45Å; V124-A196 PolarHBondContact N-O 3.07Å; V124-A196 PolarHBondContact O-N 3.24Å; V124-A196 VanDerWaalsContact O-N 3.13Å; A196-V198 HydrophobicContact CB-CG2 4.2Å
197	L	95.7	Very high	86	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	129.2	158.9	-63.1	-176.9	0	0	0	109	N86 F116 K122 F123 I134 I166 L170 Y173 V225	N86-L197 PolarHBondContact ND2-O 3.15Å; F116-L197 HydrophobicContact CB-CD1 3.93Å; F116-L197 HydrophobicContact CD1-CD1 3.49Å; F116-L197 VanDerWaalsContact CD1-CD1 3.49Å; F116-L197 HydrophobicContact CD2-CD1 3.95Å; F116-L197 HydrophobicContact CE1-CD1 3.98Å; F116-L197 HydrophobicContact CE2-CD1 4.41Å; F116-L197 HydrophobicContact CG-CD1 3.48Å; F116-L197 VanDerWaalsContact CG-CD1 3.48Å; F116-L197 HydrophobicContact CZ-CD1 4.43Å; K122-L197 WeakPolarHBondContact O-CA 3.24Å; F123-L197 HydrophobicContact CB-CD2 3.79Å; F123-L197 HydrophobicContact CD2-CD2 4.21Å; F123-L197 HydrophobicContact CG-CD2 4.47Å; I134-L197 HydrophobicContact CD1-CD2 3.84Å; I166-L197 HydrophobicContact CD1-CD1 4.44Å; I166-L197 HydrophobicContact CG2-CD2 3.58Å; L170-L197 HydrophobicContact CD2-CD1 4.31Å; Y173-L197 HydrophobicContact CD1-CD1 3.7Å; Y173-L197 HydrophobicContact CD1-CG 4.37Å; Y173-L197 HydrophobicContact CE1-CD1 3.65Å; Y173-L197 HydrophobicContact CE1-CG 4.09Å; Y173-L197 HydrophobicContact CG-CD1 4.37Å; L197-V225 HydrophobicContact CB-CG2 4.11Å
198	V	95	Very high	87.9	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142.8	-176	-171.9	0	0	0	0	110.3	N121 K122 V124 A196 T200 F203 Q223 P224	N121-V198 VanDerWaalsContact CA-O 3.29Å; N121-V198 WeakPolarHBondContact CA-O 3.24Å; K122-V198 PolarHBondContact N-O 2.68Å; K122-V198 PolarHBondContact O-N 3.06Å; V124-V198 HydrophobicContact CB-CG2 4.28Å; V124-V198 HydrophobicContact CG2-CB 4.26Å; V124-V198 HydrophobicContact CG2-CG2 4.3Å; A196-V198 HydrophobicContact CB-CG2 4.2Å; V198-T200 PolarHBondContact O-N 3.27Å; V198-F203 HydrophobicContact CG1-CB 3.71Å; V198-F203 HydrophobicContact CG1-CD2 3.83Å; V198-F203 HydrophobicContact CG1-CG 3.94Å; V198-Q223 HydrophobicContact CG1-CB 4.04Å; V198-Q223 HydrophobicContact CG1-CG 4.48Å; V198-Q223 HydrophobicContact CG2-CB 4.07Å; V198-Q223 HydrophobicContact CG2-CG 4.29Å; V198-P224 CarbonylContact C-O 3.43Å
199	E	96.4	Very high	89.6	Confident	13 Å²	13	35.4 Å²	35.4	6%	0.061	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	119	172.1	-179.6	178.2	165.8	0	0	111.4	R83 H120 D201 T202 F203 P224 V226	R83-E199 IonicContact CZ-OE1 3.24Å; R83-E199 VanDerWaalsContact CZ-OE1 3.3Å; R83-E199 IonicContact CZ-OE2 2.67Å; R83-E199 VanDerWaalsContact NE-CD 3.31Å; R83-E199 IonicContact NE-OE1 3.85Å; R83-E199 PolarHBondContact NE-OE1 2.83Å; R83-E199 VanDerWaalsContact NE-OE1 3.15Å; R83-E199 IonicContact NE-OE2 3.3Å; R83-E199 PolarHBondContact NE-OE2 3.3Å; R83-E199 VanDerWaalsContact NH2-CD 3.33Å; R83-E199 IonicContact NH2-OE1 3.15Å; R83-E199 PolarHBondContact NH2-OE1 2.68Å; R83-E199 IonicContact NH2-OE2 2.77Å; R83-E199 PolarHBondContact NH2-OE2 2.96Å; H120-E199 CarbonylContact O-C 3.59Å; H120-E199 WeakPolarHBondContact O-CA 3.41Å; E199-D201 PolarHBondContact O-N 2.96Å; E199-T202 HydrophobicContact CG-CG2 4.47Å; E199-T202 PolarHBondContact O-OG1 2.68Å; E199-F203 WeakPolarHBondContact O-CB 3.5Å; E199-F203 PolarHBondContact O-N 3.07Å; E199-F203 VanDerWaalsContact O-N 3.14Å; E199-P224 HydrophobicContact CB-CB 4.11Å; E199-P224 WeakPolarHBondContact CB-O 3.04Å; E199-P224 PolarHBondContact N-O 2.71Å; E199-P224 VanDerWaalsContact OE2-CB 3.25Å; E199-P224 WeakPolarHBondContact OE2-CB 3.46Å; E199-V226 HydrophobicContact CB-CG2 4.28Å; E199-V226 HydrophobicContact CG-CG2 3.81Å
200	T	93.7	Very high	90.9	Very high	32 Å²	32	30.8 Å²	30.8	20%	0.196	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-42	-171.2	-55.8	0	0	0	0	112.1	H120 K122 V198 T202	H120-T200 WeakPolarHBondContact O-CB 3.44Å; H120-T200 PolarHBondContact O-N 2.95Å; H120-T200 PolarHBondContact O-OG1 3.24Å; H120-T200 VanDerWaalsContact O-OG1 3.09Å; K122-T200 HydrophobicContact CD-CG2 3.94Å; K122-T200 HydrophobicContact CG-CG2 4.46Å; V198-T200 PolarHBondContact O-N 3.27Å; T200-T202 VanDerWaalsContact C-N 3.29Å; T200-T202 PolarHBondContact O-N 2.82Å
201	D	90.9	Very high	91.5	Very high	98 Å²	98	33.6 Å²	33.6	52%	0.524	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-31.5	-170.5	-65.5	-31.3	0	0	0	112.2	H120 E199 R204	H120-D201 IonicContact ND1-OD2 3.1Å; E199-D201 PolarHBondContact O-N 2.96Å; D201-R204 PolarHBondContact O-NH1 2.85Å; D201-R204 PolarHBondContact O-NH2 3.27Å; D201-R204 VanDerWaalsContact O-NH2 3.08Å
202	T	89.1	Confident	91.7	Very high	71 Å²	71	34.5 Å²	34.5	44%	0.436	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-24.7	-177.4	60.5	0	0	0	0	113.7	E199 T200 R204	E199-T202 HydrophobicContact CG-CG2 4.47Å; E199-T202 PolarHBondContact O-OG1 2.68Å; T200-T202 VanDerWaalsContact C-N 3.29Å; T200-T202 PolarHBondContact O-N 2.82Å; T202-R204 PolarHBondContact O-N 3.4Å
203	F	91.8	Very high	91.5	Very high	18 Å²	18	38.3 Å²	38.3	8%	0.079	20%	0.196	C	C	.	.			trans	-70.8	126.5	-177.8	-179	-107.3	0	0	0	112.5	V124 I126 V198 E199 F205 F215	V124-F203 HydrophobicContact CG1-CE1 3.76Å; V124-F203 HydrophobicContact CG1-CE2 4.44Å; V124-F203 HydrophobicContact CG1-CZ 3.66Å; V124-F203 HydrophobicContact CG2-CD1 4.29Å; V124-F203 HydrophobicContact CG2-CE1 4.17Å; I126-F203 HydrophobicContact CD1-CE2 4.18Å; I126-F203 HydrophobicContact CD1-CZ 3.93Å; V198-F203 HydrophobicContact CG1-CB 3.71Å; V198-F203 HydrophobicContact CG1-CD2 3.83Å; V198-F203 HydrophobicContact CG1-CG 3.94Å; E199-F203 WeakPolarHBondContact O-CB 3.5Å; E199-F203 PolarHBondContact O-N 3.07Å; E199-F203 VanDerWaalsContact O-N 3.14Å; F203-F205 HydrophobicContact CE1-CB 4.27Å; F203-F205 HydrophobicContact CZ-CB 4.28Å; F203-F215 AromaticContact CE2-CE2 3.84Å; F203-F215 HydrophobicContact CE2-CE2 3.84Å; F203-F215 HydrophobicContact CE2-CZ 4.11Å
204	R	92.4	Very high	91.2	Very high	136 Å²	136	41.8 Å²	41.8	51%	0.513	21%	0.21	S	C	.	.			trans	-131.7	119.9	172.1	-63.9	-64.5	178.6	-80.6	-7.8	108.8	D201 T202 Y209	D201-R204 PolarHBondContact O-NH1 2.85Å; D201-R204 PolarHBondContact O-NH2 3.27Å; D201-R204 VanDerWaalsContact O-NH2 3.08Å; T202-R204 PolarHBondContact O-N 3.4Å; R204-Y209 WeakPolarHBondContact O-CE2 3.46Å
205	F	93.5	Very high	90.9	Very high	5 Å²	5	41.9 Å²	41.9	2%	0.022	21%	0.211	C	C	.	.			trans	-69.8	133.2	180	173.4	-109.1	0	0	0	110.7	I126 P151 T152 D154 S155 C161 F203 T207 Y209 V210	I126-F205 HydrophobicContact CD1-CD2 4.39Å; I126-F205 HydrophobicContact CG1-CD2 4.49Å; I126-F205 HydrophobicContact CG2-CE2 4.03Å; P151-F205 HydrophobicContact CB-CE1 4.07Å; P151-F205 HydrophobicContact CB-CZ 4.17Å; T152-F205 WeakPolarHBondContact O-CD1 3.39Å; T152-F205 WeakPolarHBondContact O-CE1 3.38Å; D154-F205 PolarHBondContact N-O 3.14Å; S155-F205 WeakPolarHBondContact O-CD1 3.26Å; C161-F205 HydrophobicContact CB-CB 4.39Å; C161-F205 HydrophobicContact CB-CD1 4.02Å; C161-F205 HydrophobicContact CB-CD2 3.42Å; C161-F205 VanDerWaalsContact CB-CD2 3.42Å; C161-F205 HydrophobicContact CB-CE1 4.12Å; C161-F205 HydrophobicContact CB-CE2 3.57Å; C161-F205 HydrophobicContact CB-CG 3.65Å; C161-F205 HydrophobicContact CB-CZ 3.91Å; F203-F205 HydrophobicContact CE1-CB 4.27Å; F203-F205 HydrophobicContact CZ-CB 4.28Å; F205-T207 HydrophobicContact CE1-CG2 4.46Å; F205-Y209 HydrophobicContact CD2-CD2 4.17Å; F205-V210 HydrophobicContact CE2-CG2 3.8Å; F205-V210 HydrophobicContact CZ-CG2 3.66Å
206	K	92.4	Very high	90.5	Very high	84 Å²	84	44.8 Å²	44.8	37%	0.365	23%	0.226	S	C	.	.			trans	-123.2	138.3	171.7	-57.2	-178.9	-177.5	170.9	0	109.4	E208 Y209	K206-E208 HydrophobicContact CB-CG 3.69Å; K206-E208 HydrophobicContact CD-CG 4.3Å; K206-E208 WeakPolarHBondContact CD-OE1 3.4Å; K206-E208 IonicContact NZ-OE1 3.56Å; K206-E208 PolarHBondContact O-N 3.2Å; K206-E208 VanDerWaalsContact O-N 3.15Å; K206-Y209 HydrophobicContact CB-CD1 4.27Å; K206-Y209 HydrophobicContact CB-CD2 4.14Å; K206-Y209 HydrophobicContact CB-CE1 4.07Å; K206-Y209 HydrophobicContact CB-CE2 3.95Å; K206-Y209 HydrophobicContact CB-CG 4.29Å; K206-Y209 HydrophobicContact CD-CE1 4.11Å; K206-Y209 HydrophobicContact CG-CE1 4.37Å; K206-Y209 HydrophobicContact CG-CE2 4.07Å; K206-Y209 WeakPolarHBondContact O-CB 3.15Å; K206-Y209 VanDerWaalsContact O-CG 3.31Å; K206-Y209 PolarHBondContact O-N 3.03Å
207	T	90.6	Very high	89.9	Confident	42 Å²	42	51 Å²	51	26%	0.258	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-32.7	177.3	48.2	0	0	0	0	112.9	P151 N153 F205 Y209 V210 T211	P151-T207 HydrophobicContact CB-CG2 4.13Å; P151-T207 HydrophobicContact CG-CG2 4.1Å; P151-T207 WeakPolarHBondContact O-CG2 3.47Å; N153-T207 WeakPolarHBondContact OD1-CB 3.39Å; N153-T207 VanDerWaalsContact OD1-CG2 3.31Å; N153-T207 WeakPolarHBondContact OD1-CG2 3.11Å; N153-T207 PolarHBondContact OD1-N 2.87Å; N153-T207 PolarHBondContact OD1-OG1 2.85Å; F205-T207 HydrophobicContact CE1-CG2 4.46Å; T207-Y209 PolarHBondContact O-N 2.84Å; T207-Y209 VanDerWaalsContact O-N 3.17Å; T207-V210 PolarHBondContact O-N 3.5Å; T207-T211 PolarHBondContact O-N 2.89Å
208	E	90	Very high	89	Confident	50 Å²	50	52.9 Å²	52.9	23%	0.234	27%	0.267	C	S	.	.	H	α-helix	trans	-58.4	-25	174.2	64.3	-174.4	-179.4	0	0	113.7	K206 V210 T211 T212 K214	K206-E208 HydrophobicContact CB-CG 3.69Å; K206-E208 HydrophobicContact CD-CG 4.3Å; K206-E208 WeakPolarHBondContact CD-OE1 3.4Å; K206-E208 IonicContact NZ-OE1 3.56Å; K206-E208 PolarHBondContact O-N 3.2Å; K206-E208 VanDerWaalsContact O-N 3.15Å; E208-V210 PolarHBondContact O-N 2.88Å; E208-T211 PolarHBondContact O-N 3.3Å; E208-T212 WeakPolarHBondContact O-CB 3Å; E208-T212 PolarHBondContact O-N 2.97Å; E208-T212 PolarHBondContact O-OG1 2.86Å; E208-K214 HydrophobicContact CG-CD 3.91Å; E208-K214 WeakPolarHBondContact OE1-CD 3.41Å; E208-K214 WeakPolarHBondContact OE1-CE 3.29Å; E208-K214 IonicContact OE1-NZ 3.8Å; E208-K214 PolarHBondContact OE1-NZ 3Å; E208-K214 VanDerWaalsContact OE2-CD 3.26Å; E208-K214 WeakPolarHBondContact OE2-CD 3.41Å; E208-K214 IonicContact OE2-NZ 2.77Å; E208-K214 PolarHBondContact OE2-NZ 3.09Å
209	Y	90.6	Very high	88	Confident	21 Å²	21	59.5 Å²	59.5	8%	0.082	29%	0.293	C	S	.	.	H	α-helix	trans	-69	-19.8	176.6	-59.1	-19.6	0	0	0	113.3	I126 R204 F205 K206 T207 F215	I126-Y209 HydrophobicContact CD1-CD2 4.09Å; R204-Y209 WeakPolarHBondContact O-CE2 3.46Å; F205-Y209 HydrophobicContact CD2-CD2 4.17Å; K206-Y209 HydrophobicContact CB-CD1 4.27Å; K206-Y209 HydrophobicContact CB-CD2 4.14Å; K206-Y209 HydrophobicContact CB-CE1 4.07Å; K206-Y209 HydrophobicContact CB-CE2 3.95Å; K206-Y209 HydrophobicContact CB-CG 4.29Å; K206-Y209 HydrophobicContact CD-CE1 4.11Å; K206-Y209 HydrophobicContact CG-CE1 4.37Å; K206-Y209 HydrophobicContact CG-CE2 4.07Å; K206-Y209 WeakPolarHBondContact O-CB 3.15Å; K206-Y209 VanDerWaalsContact O-CG 3.31Å; K206-Y209 PolarHBondContact O-N 3.03Å; T207-Y209 PolarHBondContact O-N 2.84Å; T207-Y209 VanDerWaalsContact O-N 3.17Å; Y209-F215 HydrophobicContact CD1-CB 3.83Å; Y209-F215 HydrophobicContact CD1-CD2 4Å; Y209-F215 HydrophobicContact CD1-CG 4.37Å; Y209-F215 AromaticContact CD2-CD2 3.64Å; Y209-F215 HydrophobicContact CD2-CD2 3.64Å; Y209-F215 HydrophobicContact CD2-CE2 4.22Å; Y209-F215 HydrophobicContact CD2-CG 4.35Å; Y209-F215 HydrophobicContact CE1-CD2 4.17Å; Y209-F215 AromaticContact CE2-CD2 3.8Å; Y209-F215 HydrophobicContact CE2-CD2 3.8Å; Y209-F215 HydrophobicContact CE2-CE2 4.19Å; Y209-F215 HydrophobicContact CG-CB 3.84Å; Y209-F215 AromaticContact CG-CD2 3.75Å; Y209-F215 HydrophobicContact CG-CD2 3.75Å; Y209-F215 HydrophobicContact CG-CG 4.09Å
210	V	89.1	Confident	87.4	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.024	33%	0.328	C	S	.	.	H	α-helix	trans	-94	-40.9	176	179.2	0	0	0	0	110.6	I126 C128 G160 N190 P191 F205 T207 E208	I126-V210 HydrophobicContact CG2-CG2 3.76Å; C128-V210 WeakPolarHBondContact SG-CG1 3.43Å; G160-V210 VanDerWaalsContact O-CG2 3.3Å; G160-V210 WeakPolarHBondContact O-CG2 3.49Å; N190-V210 PolarHBondContact OD1-O 2.92Å; N190-V210 VanDerWaalsContact OD1-O 3.11Å; P191-V210 WeakPolarHBondContact CD-O 3.36Å; F205-V210 HydrophobicContact CE2-CG2 3.8Å; F205-V210 HydrophobicContact CZ-CG2 3.66Å; T207-V210 PolarHBondContact O-N 3.5Å; E208-V210 PolarHBondContact O-N 2.88Å
211	T	84.7	Confident	87.1	Confident	81 Å²	81	65 Å²	65	50%	0.497	32%	0.323	S	S	.	.	H	α-helix	trans	-86.3	-12.6	-173.9	60.3	0	0	0	0	113.7	T207 E208	T207-T211 PolarHBondContact O-N 2.89Å; E208-T211 PolarHBondContact O-N 3.3Å
212	T	86.1	Confident	87.2	Confident	57 Å²	57	63 Å²	63	35%	0.35	31%	0.311	S	S	.	.	S	Bend	trans	-139	171.6	-176.9	76.6	0	0	0	0	111.3	E208 K214	E208-T212 WeakPolarHBondContact O-CB 3Å; E208-T212 PolarHBondContact O-N 2.97Å; E208-T212 PolarHBondContact O-OG1 2.86Å; T212-K214 PolarHBondContact O-N 2.73Å; T212-K214 VanDerWaalsContact OG1-CB 3.23Å; T212-K214 WeakPolarHBondContact OG1-CB 3.49Å; T212-K214 PolarHBondContact OG1-N 2.81Å
213	M	83.5	Confident	87.4	Confident	82 Å²	82	60.2 Å²	60.2	40%	0.404	29%	0.293	S	S	.	.	S	Bend	trans	-83.2	7.8	173.2	-73.1	-175.8	156.9	0	0	114.1	P191 C192 F215 N216 E217	P191-M213 HydrophobicContact CB-CE 4.48Å; P191-M213 HydrophobicContact CG-CG 4.38Å; C192-M213 WeakPolarHBondContact SG-CE 3.41Å; M213-F215 PolarHBondContact O-N 3.27Å; M213-N216 WeakPolarHBondContact O-CA 3.27Å; M213-N216 WeakPolarHBondContact O-CB 3.42Å; M213-N216 PolarHBondContact O-N 3.25Å; M213-E217 PolarHBondContact O-N 2.87Å; M213-E217 VanDerWaalsContact O-N 3.14Å
214	K	85.9	Confident	87.5	Confident	76 Å²	76	59.7 Å²	59.7	33%	0.33	29%	0.291	S	S	.	.	H	α-helix	trans	-58.3	-29.4	-172.1	-164.2	-175.7	-169.7	-178.3	0	114	E208 T212 N216 E217 T218	E208-K214 HydrophobicContact CG-CD 3.91Å; E208-K214 WeakPolarHBondContact OE1-CD 3.41Å; E208-K214 WeakPolarHBondContact OE1-CE 3.29Å; E208-K214 IonicContact OE1-NZ 3.8Å; E208-K214 PolarHBondContact OE1-NZ 3Å; E208-K214 VanDerWaalsContact OE2-CD 3.26Å; E208-K214 WeakPolarHBondContact OE2-CD 3.41Å; E208-K214 IonicContact OE2-NZ 2.77Å; E208-K214 PolarHBondContact OE2-NZ 3.09Å; T212-K214 PolarHBondContact O-N 2.73Å; T212-K214 VanDerWaalsContact OG1-CB 3.23Å; T212-K214 WeakPolarHBondContact OG1-CB 3.49Å; T212-K214 PolarHBondContact OG1-N 2.81Å; K214-N216 VanDerWaalsContact C-N 3.32Å; K214-E217 PolarHBondContact O-N 3.34Å; K214-T218 WeakPolarHBondContact O-CB 3.42Å; K214-T218 PolarHBondContact O-N 2.95Å; K214-T218 PolarHBondContact O-OG1 3.39Å
215	F	87.2	Confident	87.7	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-65.3	-37.4	175.7	-167.5	-115.3	0	0	0	112.3	L88 I126 Y194 F203 Y209 M213 Q223	L88-F215 HydrophobicContact CD1-CD1 3.54Å; L88-F215 HydrophobicContact CD1-CE1 3.46Å; L88-F215 VanDerWaalsContact CD1-CE1 3.46Å; L88-F215 HydrophobicContact CD1-CG 4.43Å; L88-F215 HydrophobicContact CD1-CZ 4.26Å; L88-F215 HydrophobicContact CD2-CE1 3.61Å; L88-F215 HydrophobicContact CD2-CZ 4.07Å; L88-F215 HydrophobicContact CG-CE1 4.17Å; I126-F215 HydrophobicContact CD1-CD1 3.96Å; I126-F215 HydrophobicContact CD1-CD2 4.07Å; I126-F215 HydrophobicContact CD1-CE1 3.75Å; I126-F215 HydrophobicContact CD1-CE2 3.91Å; I126-F215 HydrophobicContact CD1-CG 4.11Å; I126-F215 HydrophobicContact CD1-CZ 3.73Å; Y194-F215 AromaticContact CD1-CD1 4Å; Y194-F215 HydrophobicContact CD1-CD1 4Å; Y194-F215 HydrophobicContact CD2-CB 4.32Å; Y194-F215 AromaticContact CD2-CD1 3.82Å; Y194-F215 HydrophobicContact CD2-CD1 3.82Å; Y194-F215 HydrophobicContact CD2-CG 4.48Å; Y194-F215 HydrophobicContact CE2-CB 4.12Å; Y194-F215 HydrophobicContact CE2-CD1 4.39Å; Y194-F215 AromaticContact CG-CD1 3.59Å; Y194-F215 HydrophobicContact CG-CD1 3.59Å; Y194-F215 HydrophobicContact CG-CE1 4.22Å; F203-F215 AromaticContact CE2-CE2 3.84Å; F203-F215 HydrophobicContact CE2-CE2 3.84Å; F203-F215 HydrophobicContact CE2-CZ 4.11Å; Y209-F215 HydrophobicContact CD1-CB 3.83Å; Y209-F215 HydrophobicContact CD1-CD2 4Å; Y209-F215 HydrophobicContact CD1-CG 4.37Å; Y209-F215 AromaticContact CD2-CD2 3.64Å; Y209-F215 HydrophobicContact CD2-CD2 3.64Å; Y209-F215 HydrophobicContact CD2-CE2 4.22Å; Y209-F215 HydrophobicContact CD2-CG 4.35Å; Y209-F215 HydrophobicContact CE1-CD2 4.17Å; Y209-F215 AromaticContact CE2-CD2 3.8Å; Y209-F215 HydrophobicContact CE2-CD2 3.8Å; Y209-F215 HydrophobicContact CE2-CE2 4.19Å; Y209-F215 HydrophobicContact CG-CB 3.84Å; Y209-F215 AromaticContact CG-CD2 3.75Å; Y209-F215 HydrophobicContact CG-CD2 3.75Å; Y209-F215 HydrophobicContact CG-CG 4.09Å; M213-F215 PolarHBondContact O-N 3.27Å; F215-Q223 HydrophobicContact CE1-CG 4.47Å; F215-Q223 HydrophobicContact CE2-CG 4.14Å; F215-Q223 HydrophobicContact CZ-CG 3.72Å
216	N	86.6	Confident	87.9	Confident	62 Å²	62	53.3 Å²	53.3	33%	0.332	27%	0.268	S	S	.	.	H	α-helix	trans	-74.1	-27.2	173.7	-161.8	45.7	0	0	0	112.7	Y194 M213 K214 N220 G221	Y194-N216 HydrophobicContact CE1-CB 3.75Å; M213-N216 WeakPolarHBondContact O-CA 3.27Å; M213-N216 WeakPolarHBondContact O-CB 3.42Å; M213-N216 PolarHBondContact O-N 3.25Å; K214-N216 VanDerWaalsContact C-N 3.32Å; N216-N220 CarbonylContact O-C 3.51Å; N216-G221 WeakPolarHBondContact O-CA 3.47Å; N216-G221 PolarHBondContact O-N 2.92Å
217	E	82.9	Confident	88.1	Confident	132 Å²	132	49.3 Å²	49.3	62%	0.617	25%	0.25	S	S	*	.	H	α-helix	trans	-77.4	-29.5	175.8	-64.4	168.2	-176.9	0	0	111.6	M213 K214 Y219 N220	M213-E217 PolarHBondContact O-N 2.87Å; M213-E217 VanDerWaalsContact O-N 3.14Å; K214-E217 PolarHBondContact O-N 3.34Å; E217-Y219 PolarHBondContact O-N 3.3Å; E217-N220 PolarHBondContact O-N 2.81Å
218	T	77.1	Confident	88.4	Confident	40 Å²	40	47.6 Å²	47.6	25%	0.245	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-68.9	126	179	-57.9	0	0	0	0	109.8	K214 N220 G221	K214-T218 WeakPolarHBondContact O-CB 3.42Å; K214-T218 PolarHBondContact O-N 2.95Å; K214-T218 PolarHBondContact O-OG1 3.39Å; T218-N220 PolarHBondContact O-N 3.19Å; T218-G221 PolarHBondContact O-N 2.87Å
219	Y	72.7	Confident	88.7	Confident	142 Å²	142	45.3 Å²	45.3	56%	0.557	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	50.3	35.5	-172.8	-57.7	-75.5	0	0	0	114	E217 G221 Q222	E217-Y219 PolarHBondContact O-N 3.3Å; Y219-G221 VanDerWaalsContact C-N 3.25Å; Y219-G221 PolarHBondContact O-N 3.43Å; Y219-Q222 WeakPolarHBondContact CB-O 3.33Å; Y219-Q222 WeakPolarHBondContact O-CB 3.34Å; Y219-Q222 PolarHBondContact O-N 2.93Å; Y219-Q222 VanDerWaalsContact O-N 3.16Å
220	N	83.9	Confident	88.9	Confident	152 Å²	152	44.4 Å²	44.4	81%	0.813	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	53.6	39.3	178.9	-61.1	-24.1	0	0	0	113.7	N216 E217 T218	N216-N220 CarbonylContact O-C 3.51Å; E217-N220 PolarHBondContact O-N 2.81Å; T218-N220 PolarHBondContact O-N 3.19Å
221	G	88.1	Confident	89	Confident	9 Å²	9	44.7 Å²	44.7	9%	0.093	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	81.4	22.9	176.4	0	0	0	0	0	113.2	L88 N216 T218 Y219	L88-G221 WeakPolarHBondContact CB-O 3.47Å; L88-G221 VanDerWaalsContact CG-O 3.29Å; L88-G221 WeakPolarHBondContact CG-O 3.46Å; L88-G221 PolarHBondContact N-O 2.88Å; N216-G221 WeakPolarHBondContact O-CA 3.47Å; N216-G221 PolarHBondContact O-N 2.92Å; T218-G221 PolarHBondContact O-N 2.87Å; Y219-G221 VanDerWaalsContact C-N 3.25Å; Y219-G221 PolarHBondContact O-N 3.43Å
222	Q	92.1	Very high	89.1	Confident	55 Å²	55	42.4 Å²	42.4	26%	0.257	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	162.7	177.7	-55.9	178.1	-50.1	0	0	110.5	L85 N86 A87 Y219	L85-Q222 HydrophobicContact CB-CB 4.16Å; L85-Q222 HydrophobicContact CD2-CB 4.42Å; N86-Q222 CarbonylContact O-C 3.52Å; N86-Q222 VanDerWaalsContact O-CA 3.23Å; N86-Q222 WeakPolarHBondContact O-CA 3.44Å; A87-Q222 HydrophobicContact CB-CG 4.34Å; Y219-Q222 WeakPolarHBondContact CB-O 3.33Å; Y219-Q222 WeakPolarHBondContact O-CB 3.34Å; Y219-Q222 PolarHBondContact O-N 2.93Å; Y219-Q222 VanDerWaalsContact O-N 3.16Å
223	Q	93.3	Very high	89.2	Confident	13 Å²	13	48.2 Å²	48.2	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	148.9	172.4	-70	-65.4	-56.7	0	0	110.3	N86 L88 V198 F215	N86-Q223 PolarHBondContact N-O 3.24Å; N86-Q223 PolarHBondContact O-N 3.35Å; L88-Q223 HydrophobicContact CD2-CB 4.37Å; L88-Q223 HydrophobicContact CD2-CG 3.71Å; L88-Q223 HydrophobicContact CG-CG 4.4Å; V198-Q223 HydrophobicContact CG1-CB 4.04Å; V198-Q223 HydrophobicContact CG1-CG 4.48Å; V198-Q223 HydrophobicContact CG2-CB 4.07Å; V198-Q223 HydrophobicContact CG2-CG 4.29Å; F215-Q223 HydrophobicContact CE1-CG 4.47Å; F215-Q223 HydrophobicContact CE2-CG 4.14Å; F215-Q223 HydrophobicContact CZ-CG 3.72Å
224	P	95.6	Very high	89.3	Confident	7 Å²	7	47.1 Å²	47.1	5%	0.045	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	140.9	174.2	-24	34.8	0	0	0	112.2	L73 A84 L85 V198 E199	L73-P224 HydrophobicContact CD1-CB 4.17Å; L73-P224 HydrophobicContact CD1-CG 4.29Å; A84-P224 CarbonylContact O-C 3.53Å; A84-P224 WeakPolarHBondContact O-CA 3.49Å; L85-P224 HydrophobicContact CD2-CG 4.45Å; V198-P224 CarbonylContact C-O 3.43Å; E199-P224 HydrophobicContact CB-CB 4.11Å; E199-P224 WeakPolarHBondContact CB-O 3.04Å; E199-P224 PolarHBondContact N-O 2.71Å; E199-P224 VanDerWaalsContact OE2-CB 3.25Å; E199-P224 WeakPolarHBondContact OE2-CB 3.46Å
225	V	95.8	Very high	89.4	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	148.6	172.1	74.1	0	0	0	0	109.4	R83 A84 N86 F116 N121 L197 L227	R83-V225 CarbonylContact C-O 3.27Å; R83-V225 WeakPolarHBondContact CA-O 3.24Å; A84-V225 HydrophobicContact CB-CG1 4.36Å; A84-V225 PolarHBondContact N-O 3.43Å; A84-V225 PolarHBondContact O-N 2.94Å; N86-V225 HydrophobicContact CB-CB 3.97Å; N86-V225 HydrophobicContact CB-CG1 3.78Å; F116-V225 HydrophobicContact CD1-CG2 3.93Å; F116-V225 HydrophobicContact CE1-CG2 4.38Å; N121-V225 WeakPolarHBondContact OD1-CG2 3.29Å; L197-V225 HydrophobicContact CB-CG2 4.11Å; V225-L227 HydrophobicContact CG1-CD2 4.33Å
226	V	97.3	Very high	89.5	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.024	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.8	176.7	-173	0	0	0	0	110.3	Q81 R83 S117 H120 N121 E199	Q81-V226 HydrophobicContact CB-CG1 4.03Å; Q81-V226 HydrophobicContact CG-CG1 3.88Å; R83-V226 HydrophobicContact CG-CG2 4.27Å; S117-V226 WeakPolarHBondContact CB-O 3.47Å; S117-V226 PolarHBondContact N-O 3.29Å; H120-V226 HydrophobicContact CB-CB 3.89Å; H120-V226 HydrophobicContact CB-CG1 4.18Å; H120-V226 HydrophobicContact CB-CG2 3.74Å; N121-V226 PolarHBondContact ND2-O 2.96Å; N121-V226 PolarHBondContact OD1-N 3.13Å; E199-V226 HydrophobicContact CB-CG2 4.28Å; E199-V226 HydrophobicContact CG-CG2 3.81Å
227	L	96.5	Very high	89.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.4	175.3	-55.7	177.5	0	0	0	108.9	L67 Q81 T82 A84 F109 Y114 R115 F116 V225	L67-L227 HydrophobicContact CD2-CD1 4.04Å; Q81-L227 CarbonylContact C-O 3.5Å; Q81-L227 VanDerWaalsContact CA-O 3.3Å; Q81-L227 WeakPolarHBondContact CA-O 3.43Å; T82-L227 PolarHBondContact N-O 3.05Å; T82-L227 PolarHBondContact O-N 3.18Å; A84-L227 HydrophobicContact CB-CD1 4.37Å; F109-L227 HydrophobicContact CD2-CD2 4.35Å; F109-L227 HydrophobicContact CE1-CD1 4.4Å; F109-L227 HydrophobicContact CE2-CD1 3.91Å; F109-L227 HydrophobicContact CE2-CD2 3.8Å; F109-L227 HydrophobicContact CZ-CD1 3.72Å; F109-L227 HydrophobicContact CZ-CD2 4.46Å; Y114-L227 HydrophobicContact CD1-CB 4.18Å; Y114-L227 HydrophobicContact CD1-CD1 4.41Å; R115-L227 CarbonylContact O-C 3.58Å; R115-L227 VanDerWaalsContact O-CA 3.28Å; R115-L227 WeakPolarHBondContact O-CA 3.37Å; F116-L227 HydrophobicContact CD1-CD2 3.58Å; F116-L227 HydrophobicContact CE1-CD2 3.68Å; F116-L227 HydrophobicContact CG-CD2 4.35Å; F116-L227 HydrophobicContact CZ-CD2 4.48Å; V225-L227 HydrophobicContact CG1-CD2 4.33Å
228	D	97.3	Very high	89.3	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.032	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	133.7	166.8	-60.5	-28.8	0	0	0	107.8	G80 Q81 Y114 R115 S117 N258	G80-D228 WeakPolarHBondContact O-CA 3.2Å; Q81-D228 WeakPolarHBondContact CG-OD1 3.33Å; Q81-D228 PolarHBondContact NE2-OD1 3.1Å; Y114-D228 CarbonylContact C-O 3.47Å; Y114-D228 WeakPolarHBondContact CA-O 3.36Å; R115-D228 PolarHBondContact N-O 3.32Å; R115-D228 PolarHBondContact O-N 3.24Å; S117-D228 VanDerWaalsContact CA-OD2 3.24Å; S117-D228 WeakPolarHBondContact CA-OD2 3.4Å; S117-D228 VanDerWaalsContact CB-OD1 3.25Å; S117-D228 WeakPolarHBondContact CB-OD1 3.38Å; S117-D228 WeakPolarHBondContact CB-OD2 3.49Å; S117-D228 PolarHBondContact OG-OD1 3.34Å; S117-D228 PolarHBondContact OG-OD2 2.97Å; S117-D228 VanDerWaalsContact OG-OD2 3.1Å; D228-N258 HydrophobicContact CB-CB 4.22Å; D228-N258 VanDerWaalsContact OD2-CB 3.3Å; D228-N258 WeakPolarHBondContact OD2-CB 3.46Å; D228-N258 PolarHBondContact OD2-ND2 3.16Å
229	W	95.6	Very high	89.1	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	158.5	173.6	54.1	-94.5	0	0	0	110.8	P38 F39 F51 L77 G80 T82 P113 Y114 L263 Y275	P38-W229 HydrophobicContact CG-CH2 4.22Å; P38-W229 HydrophobicContact CG-CZ3 4.15Å; F39-W229 HydrophobicContact CE2-CD2 4.13Å; F39-W229 AromaticContact CE2-CE2 3.59Å; F39-W229 HydrophobicContact CE2-CH2 4.3Å; F39-W229 AromaticContact CE2-CZ2 3.7Å; F39-W229 HydrophobicContact CE2-CZ2 3.7Å; F39-W229 AromaticContact CE2-NE1 3.78Å; F39-W229 AromaticContact CZ-CD1 3.8Å; F39-W229 HydrophobicContact CZ-CD2 4.08Å; F39-W229 AromaticContact CZ-CE2 3.79Å; F39-W229 HydrophobicContact CZ-CG 4.08Å; F39-W229 HydrophobicContact CZ-CZ2 4.36Å; F39-W229 AromaticContact CZ-NE1 3.58Å; F51-W229 HydrophobicContact CE1-CB 4.5Å; F51-W229 AromaticContact CE1-CD2 3.84Å; F51-W229 HydrophobicContact CE1-CD2 3.84Å; F51-W229 AromaticContact CE1-CE3 3.46Å; F51-W229 HydrophobicContact CE1-CE3 3.46Å; F51-W229 VanDerWaalsContact CE1-CE3 3.46Å; F51-W229 HydrophobicContact CE1-CG 4.3Å; F51-W229 AromaticContact CE1-CZ3 3.94Å; F51-W229 HydrophobicContact CE1-CZ3 3.94Å; F51-W229 HydrophobicContact CZ-CD2 4.4Å; F51-W229 AromaticContact CZ-CE3 3.76Å; F51-W229 HydrophobicContact CZ-CE3 3.76Å; F51-W229 HydrophobicContact CZ-CZ3 4.37Å; L77-W229 HydrophobicContact CD2-CH2 3.95Å; L77-W229 HydrophobicContact CD2-CZ2 3.91Å; G80-W229 VanDerWaalsContact C-CE2 3.48Å; G80-W229 VanDerWaalsContact O-CD1 3.32Å; G80-W229 PolarHBondContact O-N 3.01Å; G80-W229 PolarHBondContact O-NE1 2.96Å; T82-W229 PolarHBondContact OG1-NE1 2.84Å; P113-W229 VanDerWaalsContact O-CA 3.23Å; P113-W229 WeakPolarHBondContact O-CA 3.1Å; Y114-W229 HydrophobicContact CD1-CB 3.67Å; Y114-W229 HydrophobicContact CD1-CG 4.42Å; Y114-W229 HydrophobicContact CE1-CB 3.74Å; Y114-W229 HydrophobicContact CE1-CG 4.16Å; W229-L263 HydrophobicContact CD2-CD2 4.48Å; W229-L263 HydrophobicContact CE3-CD2 3.78Å; W229-L263 HydrophobicContact CH2-CD2 4.1Å; W229-L263 HydrophobicContact CZ3-CD2 3.58Å; W229-L263 WeakPolarHBondContact O-CD2 3.5Å; W229-Y275 HydrophobicContact CH2-CE2 4.08Å; W229-Y275 AromaticContact CH2-CZ 3.86Å; W229-Y275 WeakPolarHBondContact CH2-OH 3.49Å; W229-Y275 AromaticContact CZ3-CZ 3.94Å; W229-Y275 WeakPolarHBondContact CZ3-OH 3.45Å
230	A	94.7	Very high	88.9	Confident	2 Å²	2	50 Å²	50	2%	0.017	27%	0.265	C	S	.	.			trans	-148.9	152.6	177.1	0	0	0	0	0	110.7	P113	P113-A230 PolarHBondContact O-N 3.03Å
231	I	91.9	Very high	88	Confident	11 Å²	11	50.8 Å²	50.8	6%	0.056	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-80.4	128.8	174.5	-57.4	-59.6	0	0	0	109.8	P38 I47 F51 A245 G261 Y262 Y275	P38-I231 HydrophobicContact CB-CD1 4.43Å; P38-I231 HydrophobicContact CG-CD1 4.23Å; I47-I231 HydrophobicContact CD1-CD1 4.41Å; I47-I231 HydrophobicContact CG2-CD1 4.23Å; F51-I231 HydrophobicContact CE1-CD1 4.28Å; F51-I231 HydrophobicContact CE2-CD1 3.95Å; F51-I231 HydrophobicContact CZ-CD1 3.63Å; I231-A245 HydrophobicContact CB-CB 4.41Å; I231-A245 HydrophobicContact CG1-CB 4.13Å; I231-A245 HydrophobicContact CG2-CB 3.73Å; I231-G261 VanDerWaalsContact O-CA 3.25Å; I231-G261 WeakPolarHBondContact O-CA 3.11Å; I231-Y262 HydrophobicContact CB-CE1 4.29Å; I231-Y262 HydrophobicContact CB-CE2 4.3Å; I231-Y262 WeakPolarHBondContact CB-O 3.42Å; I231-Y262 HydrophobicContact CG2-CE1 4.09Å; I231-Y262 HydrophobicContact CG2-CE2 4.38Å; I231-Y262 PolarHBondContact N-O 2.83Å; I231-Y262 WeakPolarHBondContact O-CD1 3.19Å; I231-Y262 PolarHBondContact O-N 3.12Å; I231-Y262 VanDerWaalsContact O-N 3.1Å; I231-Y275 HydrophobicContact CD1-CE1 4.24Å; I231-Y275 HydrophobicContact CG1-CE1 3.83Å
232	G	87.7	Confident	86.8	Confident	32 Å²	32	55.6 Å²	55.6	33%	0.33	29%	0.293	S	S	.	.	S	Bend	trans	64.4	-166.5	173.4	0	0	0	0	0	114.2	G261	G232-G261 WeakPolarHBondContact O-CA 3.45Å
233	K	86.5	Confident	85.8	Confident	180 Å²	180	56.9 Å²	56.9	78%	0.783	31%	0.309	S	S	*	.	S	Bend	trans	-119.6	6.5	-176.5	-63	-176	179	-178.4	0	113.7	P260	K233-P260 WeakPolarHBondContact O-CB 3.43Å
234	V	86.4	Confident	85.3	Confident	58 Å²	58	59.2 Å²	59.2	35%	0.352	32%	0.317	S	S	.	.	S	Bend	trans	-123	155.7	-178.2	-61.2	0	0	0	0	109.9	E238 G261 Y262	V234-E238 HydrophobicContact CB-CB 3.99Å; V234-E238 HydrophobicContact CG2-CB 4.26Å; V234-G261 CarbonylContact O-C 3.54Å; V234-G261 VanDerWaalsContact O-CA 3.29Å; V234-G261 WeakPolarHBondContact O-CA 3.39Å; V234-Y262 WeakPolarHBondContact O-CD1 3.46Å
235	G	88.2	Confident	85	Confident	24 Å²	24	59.1 Å²	59.1	25%	0.247	32%	0.317	C	S	.	.			trans	-79.8	177.3	176.2	0	0	0	0	0	113.2	K237 E238 A239 D255	G235-K237 VanDerWaalsContact C-N 3.25Å; G235-K237 PolarHBondContact O-N 3.45Å; G235-E238 PolarHBondContact O-N 2.99Å; G235-E238 VanDerWaalsContact O-N 3.12Å; G235-A239 PolarHBondContact O-N 3.21Å; G235-A239 VanDerWaalsContact O-N 3.12Å; G235-D255 WeakPolarHBondContact CA-OD1 3.34Å
236	C	89.2	Confident	84.8	Confident	30 Å²	30	59.3 Å²	59.3	20%	0.203	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.9	-176.3	-70.5	0	0	0	0	114.2	E238 C253 V254 D255	C236-E238 VanDerWaalsContact C-N 3.31Å; C236-E238 PolarHBondContact O-N 3.16Å; C236-C253 WeakPolarHBondContact CA-SG 3.23Å; C236-C253 HydrophobicContact CB-CB 3.8Å; C236-C253 WeakPolarHBondContact CB-SG 3.27Å; C236-C253 WeakPolarHBondContact SG-CB 3.46Å; C236-C253 CovalentContact SG-SG 2.03Å; C236-C253 PolarHBondContact SG-SG 2.61Å; C236-V254 PolarHBondContact SG-N 2.91Å; C236-D255 PolarHBondContact N-OD1 3.49Å; C236-D255 PolarHBondContact SG-N 3.27Å
237	K	85.1	Confident	84.4	Confident	203 Å²	203	63.9 Å²	63.9	88%	0.883	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-30.9	-180	-67.9	-177.4	-179.5	176.1	0	113.4	G235	G235-K237 VanDerWaalsContact C-N 3.25Å; G235-K237 PolarHBondContact O-N 3.45Å
238	E	80	Confident	84.1	Confident	145 Å²	145	64.1 Å²	64.1	68%	0.678	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-7.2	-176.6	-68.7	176.6	-174.3	0	0	112.1	V234 G235 C236 N240	V234-E238 HydrophobicContact CB-CB 3.99Å; V234-E238 HydrophobicContact CG2-CB 4.26Å; G235-E238 PolarHBondContact O-N 2.99Å; G235-E238 VanDerWaalsContact O-N 3.12Å; C236-E238 VanDerWaalsContact C-N 3.31Å; C236-E238 PolarHBondContact O-N 3.16Å; E238-N240 PolarHBondContact O-N 2.76Å
239	A	73.6	Confident	83.7	Confident	20 Å²	20	71.3 Å²	71.3	17%	0.165	37%	0.368	C	S	.	.			trans	-62	107	178.2	0	0	0	0	0	109.9	G235 Y244 Y262	G235-A239 PolarHBondContact O-N 3.21Å; G235-A239 VanDerWaalsContact O-N 3.12Å; A239-Y244 HydrophobicContact CB-CD2 3.98Å; A239-Y244 HydrophobicContact CB-CE2 4.4Å; A239-Y262 HydrophobicContact CB-CD1 4.29Å; A239-Y262 HydrophobicContact CB-CE1 3.83Å
240	N	68.5	Low	83.6	Confident	96 Å²	96	73.1 Å²	73.1	51%	0.513	38%	0.377	S	S	.	.			trans	-70.9	142.6	-178.3	-171	-1.9	0	0	0	111.1	E238 T242 S243 Y244	E238-N240 PolarHBondContact O-N 2.76Å; N240-T242 PolarHBondContact ND2-OG1 2.82Å; N240-T242 PolarHBondContact O-N 3.23Å; N240-T242 VanDerWaalsContact O-N 3.12Å; N240-S243 CarbonylContact O-C 3.59Å; N240-S243 PolarHBondContact O-N 3.44Å; N240-Y244 WeakPolarHBondContact O-CB 3.44Å; N240-Y244 PolarHBondContact O-N 3.33Å
241	M	63.8	Low	83.5	Confident	167 Å²	167	74 Å²	74	82%	0.823	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-29.5	-178.4	-65.9	-167.1	-156.8	0	0	113.8
242	T	63.6	Low	83.6	Confident	110 Å²	110	77.9 Å²	77.9	68%	0.675	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-42	-179.8	51.4	0	0	0	0	112.5	N240 R247	N240-T242 PolarHBondContact ND2-OG1 2.82Å; N240-T242 PolarHBondContact O-N 3.23Å; N240-T242 VanDerWaalsContact O-N 3.12Å; T242-R247 PolarHBondContact O-NH2 3.23Å
243	S	70.4	Confident	83.8	Confident	83 Å²	83	77.8 Å²	77.8	58%	0.58	40%	0.395	S	S	*	.	S	Bend	trans	-102.1	16.5	178.7	63.1	0	0	0	0	113.3	N240 A245 Y262	N240-S243 CarbonylContact O-C 3.59Å; N240-S243 PolarHBondContact O-N 3.44Å; S243-A245 PolarHBondContact O-N 3.37Å; S243-Y262 PolarHBondContact O-OH 3.35Å
244	Y	84.1	Confident	84.1	Confident	61 Å²	61	71.7 Å²	71.7	24%	0.239	37%	0.372	C	S	.	.			trans	-72.7	118.7	179.3	-172.1	-119.4	0	0	0	110.3	A239 N240 C246 R247 C253 Y262	A239-Y244 HydrophobicContact CB-CD2 3.98Å; A239-Y244 HydrophobicContact CB-CE2 4.4Å; N240-Y244 WeakPolarHBondContact O-CB 3.44Å; N240-Y244 PolarHBondContact O-N 3.33Å; Y244-C246 HydrophobicContact CD1-CB 4.24Å; Y244-C246 WeakPolarHBondContact CD1-O 3.5Å; Y244-C246 HydrophobicContact CE1-CB 3.51Å; Y244-C246 WeakPolarHBondContact CE1-O 3.35Å; Y244-C246 HydrophobicContact CE2-CB 4.24Å; Y244-R247 PolarHBondContact O-NE 3.48Å; Y244-R247 PolarHBondContact O-NH1 2.82Å; Y244-R247 PolarHBondContact O-NH2 2.81Å; Y244-C253 HydrophobicContact CE2-CB 3.92Å; Y244-C253 WeakPolarHBondContact OH-CB 3.49Å; Y244-Y262 HydrophobicContact CD2-CE2 4.36Å; Y244-Y262 HydrophobicContact CE2-CE2 4.34Å
245	A	89.5	Confident	84.5	Confident	5 Å²	5	73 Å²	73	4%	0.041	38%	0.377	C	S	.	.			trans	-84	-17	-174.1	0	0	0	0	0	114.1	I47 I231 S243 R247 Y262 Y275	I47-A245 HydrophobicContact CD1-CB 3.68Å; I231-A245 HydrophobicContact CB-CB 4.41Å; I231-A245 HydrophobicContact CG1-CB 4.13Å; I231-A245 HydrophobicContact CG2-CB 3.73Å; S243-A245 PolarHBondContact O-N 3.37Å; A245-R247 PolarHBondContact O-N 3.36Å; A245-R247 VanDerWaalsContact O-N 3.15Å; A245-Y262 HydrophobicContact CB-CE2 4.24Å; A245-Y262 PolarHBondContact N-OH 3.47Å; A245-Y275 HydrophobicContact CB-CD1 4.26Å; A245-Y275 WeakPolarHBondContact O-CA 3.32Å
246	C	91.2	Very high	84.7	Confident	7 Å²	7	72.8 Å²	72.8	5%	0.047	37%	0.372	C	S	.	.			trans	-82	97.6	177.8	-39.7	0	0	0	0	108.8	Y244 S251 C264	Y244-C246 HydrophobicContact CD1-CB 4.24Å; Y244-C246 WeakPolarHBondContact CD1-O 3.5Å; Y244-C246 HydrophobicContact CE1-CB 3.51Å; Y244-C246 WeakPolarHBondContact CE1-O 3.35Å; Y244-C246 HydrophobicContact CE2-CB 4.24Å; C246-S251 WeakPolarHBondContact CB-OG 3.39Å; C246-C264 WeakPolarHBondContact CA-SG 3.5Å; C246-C264 HydrophobicContact CB-CB 3.61Å; C246-C264 WeakPolarHBondContact CB-SG 3.49Å; C246-C264 PolarHBondContact N-SG 3Å; C246-C264 VanDerWaalsContact SG-CA 3.56Å; C246-C264 WeakPolarHBondContact SG-CB 3.27Å; C246-C264 CovalentContact SG-SG 2.03Å; C246-C264 PolarHBondContact SG-SG 3.46Å
247	R	87.8	Confident	84.8	Confident	99 Å²	99	76.2 Å²	76.2	37%	0.374	39%	0.387	S	S	.	.			trans	-97.6	-24.9	-170.1	-65.9	-62.3	-169.8	-166.6	-4.1	113.1	T242 Y244 A245 P274	T242-R247 PolarHBondContact O-NH2 3.23Å; Y244-R247 PolarHBondContact O-NE 3.48Å; Y244-R247 PolarHBondContact O-NH1 2.82Å; Y244-R247 PolarHBondContact O-NH2 2.81Å; A245-R247 PolarHBondContact O-N 3.36Å; A245-R247 VanDerWaalsContact O-N 3.15Å; R247-P274 PolarHBondContact N-O 2.91Å
248	S	91.3	Very high	85.2	Confident	6 Å²	6	66.5 Å²	66.5	4%	0.042	35%	0.345	C	S	.	.	S	Bend	trans	-70.4	140.8	-178.1	-164.8	0	0	0	0	111.2	H250 S251 P274 I276 G279 C280	S248-H250 PolarHBondContact O-N 3.33Å; S248-S251 PolarHBondContact N-OG 3.2Å; S248-S251 WeakPolarHBondContact O-CB 3.47Å; S248-S251 PolarHBondContact O-N 2.82Å; S248-S251 VanDerWaalsContact O-N 3.1Å; S248-S251 PolarHBondContact O-OG 3.03Å; S248-P274 PolarHBondContact N-O 2.96Å; S248-P274 VanDerWaalsContact N-O 3.14Å; S248-I276 WeakPolarHBondContact CB-O 3.43Å; S248-I276 PolarHBondContact N-O 3.27Å; S248-G279 PolarHBondContact OG-N 3.22Å; S248-C280 WeakPolarHBondContact OG-CB 3.31Å; S248-C280 PolarHBondContact OG-N 3.36Å
249	K	89.6	Confident	85.6	Confident	157 Å²	157	61.1 Å²	61.1	68%	0.683	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.1	-179.6	-177.2	-174.2	171.4	-157.5	0	112.8
250	H	92.6	Very high	86.4	Confident	39 Å²	39	63.6 Å²	63.6	18%	0.181	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	43	179	-62	-74.1	0	0	0	110.6	S248 C266 T267 Y270 C280 E303	S248-H250 PolarHBondContact O-N 3.33Å; H250-C266 CarbonylContact O-C 3.55Å; H250-C266 WeakPolarHBondContact O-CA 3.31Å; H250-T267 PolarHBondContact O-N 3.24Å; H250-T267 PolarHBondContact O-OG1 3.08Å; H250-Y270 HydrophobicContact CB-CD1 3.72Å; H250-Y270 HydrophobicContact CB-CD2 3.84Å; H250-Y270 HydrophobicContact CB-CE1 3.95Å; H250-Y270 HydrophobicContact CB-CE2 4.06Å; H250-Y270 HydrophobicContact CB-CG 3.66Å; H250-Y270 AromaticContact CD2-CD1 3.96Å; H250-Y270 AromaticContact CD2-CE1 3.41Å; H250-Y270 VanDerWaalsContact CD2-CE1 3.41Å; H250-Y270 WeakPolarHBondContact CD2-CE1 3.49Å; H250-Y270 AromaticContact CD2-CZ 3.69Å; H250-Y270 AromaticContact CE1-CZ 3.52Å; H250-Y270 PolarHBondContact CE1-OH 2.88Å; H250-Y270 AromaticContact CG-CD1 3.77Å; H250-Y270 AromaticContact CG-CE1 3.45Å; H250-Y270 VanDerWaalsContact CG-CE1 3.45Å; H250-Y270 AromaticContact CG-CE2 3.75Å; H250-Y270 AromaticContact CG-CZ 3.44Å; H250-Y270 VanDerWaalsContact CG-CZ 3.44Å; H250-Y270 AromaticContact ND1-CE1 3.86Å; H250-Y270 AromaticContact ND1-CE2 3.53Å; H250-Y270 AromaticContact ND1-CZ 3.33Å; H250-Y270 VanDerWaalsContact ND1-CZ 3.33Å; H250-Y270 PolarHBondContact ND1-OH 3.3Å; H250-Y270 AromaticContact NE2-CE1 3.86Å; H250-Y270 AromaticContact NE2-CZ 3.8Å; H250-Y270 PolarHBondContact NE2-OH 3.1Å; H250-C280 HydrophobicContact CB-CB 4.07Å; H250-C280 PolarHBondContact O-SG 3.47Å; H250-C280 VanDerWaalsContact O-SG 3.38Å; H250-E303 IonicContact NE2-OE1 3.82Å
251	S	92.9	Very high	87.5	Confident	20 Å²	20	59.1 Å²	59.1	14%	0.14	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	151.3	173.8	68.7	0	0	0	0	112.4	C246 S248 N265 P274	C246-S251 WeakPolarHBondContact CB-OG 3.39Å; S248-S251 PolarHBondContact N-OG 3.2Å; S248-S251 WeakPolarHBondContact O-CB 3.47Å; S248-S251 PolarHBondContact O-N 2.82Å; S248-S251 VanDerWaalsContact O-N 3.1Å; S248-S251 PolarHBondContact O-OG 3.03Å; S251-N265 CarbonylContact C-O 3.37Å; S251-N265 WeakPolarHBondContact CA-O 3.38Å; S251-N265 WeakPolarHBondContact CB-O 3.43Å; S251-P274 VanDerWaalsContact CB-CB 3.5Å
252	E	92.8	Very high	88.9	Confident	94 Å²	94	51.4 Å²	51.4	44%	0.439	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	148.2	177.1	63.4	-176.7	168.8	0	0	111.1	V254 C264 N265 T267	E252-V254 HydrophobicContact CG-CG2 4.46Å; E252-C264 WeakPolarHBondContact O-CA 3.38Å; E252-N265 HydrophobicContact CG-CB 4.37Å; E252-N265 PolarHBondContact N-O 2.86Å; E252-N265 PolarHBondContact O-N 3.47Å; E252-T267 HydrophobicContact CB-CG2 4.22Å; E252-T267 HydrophobicContact CG-CG2 4.38Å
253	C	92.5	Very high	90.4	Very high	30 Å²	30	47 Å²	47	20%	0.203	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	134.4	175	-174.4	0	0	0	0	110.4	C236 Y244 Y262	C236-C253 WeakPolarHBondContact CA-SG 3.23Å; C236-C253 HydrophobicContact CB-CB 3.8Å; C236-C253 WeakPolarHBondContact CB-SG 3.27Å; C236-C253 WeakPolarHBondContact SG-CB 3.46Å; C236-C253 CovalentContact SG-SG 2.03Å; C236-C253 PolarHBondContact SG-SG 2.61Å; Y244-C253 HydrophobicContact CE2-CB 3.92Å; Y244-C253 WeakPolarHBondContact OH-CB 3.49Å; C253-Y262 VanDerWaalsContact SG-CB 3.55Å; C253-Y262 WeakPolarHBondContact SG-CD2 3.41Å
254	V	93.3	Very high	91.5	Very high	52 Å²	52	43 Å²	43	32%	0.315	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.1	176.4	-175.8	0	0	0	0	109.3	C236 E252 Y262 L263 N265	C236-V254 PolarHBondContact SG-N 2.91Å; E252-V254 HydrophobicContact CG-CG2 4.46Å; V254-Y262 CarbonylContact O-C 3.57Å; V254-Y262 WeakPolarHBondContact O-CA 3.36Å; V254-Y262 WeakPolarHBondContact O-CB 3.4Å; V254-L263 PolarHBondContact N-O 2.97Å; V254-L263 PolarHBondContact O-N 3.17Å; V254-N265 HydrophobicContact CG2-CB 4.23Å
255	D	93.5	Very high	92	Very high	84 Å²	84	41.6 Å²	41.6	45%	0.449	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	139.9	178.3	-76.3	-45.7	0	0	0	111.3	G235 C236 I257	G235-D255 WeakPolarHBondContact CA-OD1 3.34Å; C236-D255 PolarHBondContact N-OD1 3.49Å; C236-D255 PolarHBondContact SG-N 3.27Å; D255-I257 PolarHBondContact O-N 2.87Å
256	S	93.1	Very high	92.3	Very high	20 Å²	20	42.4 Å²	42.4	14%	0.14	23%	0.228	C	C	.	.			trans	-63.6	132.7	177.1	-176.3	0	0	0	0	111	N258 G261	S256-N258 VanDerWaalsContact C-N 3.27Å; S256-N258 PolarHBondContact O-N 2.94Å; S256-N258 PolarHBondContact OG-N 3.27Å; S256-G261 VanDerWaalsContact CB-O 3.28Å; S256-G261 WeakPolarHBondContact CB-O 3.4Å; S256-G261 PolarHBondContact N-O 3.12Å
257	I	91.7	Very high	92.4	Very high	102 Å²	102	43.9 Å²	43.9	52%	0.523	24%	0.236	S	C	.	.	S	Bend	trans	-77.2	-15.1	178	60.5	169.5	0	0	0	113.4	L119 K168 D255	L119-I257 HydrophobicContact CD1-CD1 4.11Å; K168-I257 PolarHBondContact NZ-O 2.81Å; D255-I257 PolarHBondContact O-N 2.87Å
258	N	93	Very high	92.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-130.7	82.6	-174.1	-171.1	12.7	0	0	0	110.7	R115 F116 G169 D228 S256	R115-N258 WeakPolarHBondContact CD-O 3.36Å; R115-N258 PolarHBondContact NH1-O 3.46Å; F116-N258 PolarHBondContact O-ND2 3.39Å; F116-N258 VanDerWaalsContact O-ND2 3.15Å; G169-N258 PolarHBondContact N-OD1 3.29Å; D228-N258 HydrophobicContact CB-CB 4.22Å; D228-N258 VanDerWaalsContact OD2-CB 3.3Å; D228-N258 WeakPolarHBondContact OD2-CB 3.46Å; D228-N258 PolarHBondContact OD2-ND2 3.16Å; S256-N258 VanDerWaalsContact C-N 3.27Å; S256-N258 PolarHBondContact O-N 2.94Å; S256-N258 PolarHBondContact OG-N 3.27Å
259	G	89	Confident	92.4	Very high	32 Å²	32	46.5 Å²	46.5	33%	0.33	26%	0.259	S	S	.	.	S	Bend	trans	87.5	-174.4	179.5	0	0	0	0	0	113.7
260	P	90.4	Very high	92.5	Very high	71 Å²	71	40.5 Å²	40.5	46%	0.461	23%	0.233	S	C	.	.	S	Bend	trans	-73	156.4	-177.4	28.1	-34.2	0	0	0	113	R115 K233	R115-P260 PolarHBondContact NH1-O 3.31Å; R115-P260 PolarHBondContact NH2-O 3.45Å; K233-P260 WeakPolarHBondContact O-CB 3.43Å
261	G	91.7	Very high	92.4	Very high	3 Å²	3	43.6 Å²	43.6	3%	0.031	25%	0.247	C	C	.	.			trans	112.5	-179	-177.8	0	0	0	0	0	112.2	I231 G232 V234 S256	I231-G261 VanDerWaalsContact O-CA 3.25Å; I231-G261 WeakPolarHBondContact O-CA 3.11Å; G232-G261 WeakPolarHBondContact O-CA 3.45Å; V234-G261 CarbonylContact O-C 3.54Å; V234-G261 VanDerWaalsContact O-CA 3.29Å; V234-G261 WeakPolarHBondContact O-CA 3.39Å; S256-G261 VanDerWaalsContact CB-O 3.28Å; S256-G261 WeakPolarHBondContact CB-O 3.4Å; S256-G261 PolarHBondContact N-O 3.12Å
262	Y	93.3	Very high	92.4	Very high	5 Å²	5	44.9 Å²	44.9	2%	0.02	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	165.6	179.2	65.6	-85.6	0	0	0	112.4	I231 V234 A239 S243 Y244 A245 C253 V254	I231-Y262 HydrophobicContact CB-CE1 4.29Å; I231-Y262 HydrophobicContact CB-CE2 4.3Å; I231-Y262 WeakPolarHBondContact CB-O 3.42Å; I231-Y262 HydrophobicContact CG2-CE1 4.09Å; I231-Y262 HydrophobicContact CG2-CE2 4.38Å; I231-Y262 PolarHBondContact N-O 2.83Å; I231-Y262 WeakPolarHBondContact O-CD1 3.19Å; I231-Y262 PolarHBondContact O-N 3.12Å; I231-Y262 VanDerWaalsContact O-N 3.1Å; V234-Y262 WeakPolarHBondContact O-CD1 3.46Å; A239-Y262 HydrophobicContact CB-CD1 4.29Å; A239-Y262 HydrophobicContact CB-CE1 3.83Å; S243-Y262 PolarHBondContact O-OH 3.35Å; Y244-Y262 HydrophobicContact CD2-CE2 4.36Å; Y244-Y262 HydrophobicContact CE2-CE2 4.34Å; A245-Y262 HydrophobicContact CB-CE2 4.24Å; A245-Y262 PolarHBondContact N-OH 3.47Å; C253-Y262 VanDerWaalsContact SG-CB 3.55Å; C253-Y262 WeakPolarHBondContact SG-CD2 3.41Å; V254-Y262 CarbonylContact O-C 3.57Å; V254-Y262 WeakPolarHBondContact O-CA 3.36Å; V254-Y262 WeakPolarHBondContact O-CB 3.4Å
263	L	94.6	Very high	92.4	Very high	17 Å²	17	41.4 Å²	41.4	9%	0.089	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	166.5	172.9	-62.8	173.2	0	0	0	109.4	W229 V254	W229-L263 HydrophobicContact CD2-CD2 4.48Å; W229-L263 HydrophobicContact CE3-CD2 3.78Å; W229-L263 HydrophobicContact CH2-CD2 4.1Å; W229-L263 HydrophobicContact CZ3-CD2 3.58Å; W229-L263 WeakPolarHBondContact O-CD2 3.5Å; V254-L263 PolarHBondContact N-O 2.97Å; V254-L263 PolarHBondContact O-N 3.17Å
264	C	94.1	Very high	92.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.9	172.6	-57	0	0	0	0	107.9	C246 E252 P274 Y275	C246-C264 WeakPolarHBondContact CA-SG 3.5Å; C246-C264 HydrophobicContact CB-CB 3.61Å; C246-C264 WeakPolarHBondContact CB-SG 3.49Å; C246-C264 PolarHBondContact N-SG 3Å; C246-C264 VanDerWaalsContact SG-CA 3.56Å; C246-C264 WeakPolarHBondContact SG-CB 3.27Å; C246-C264 CovalentContact SG-SG 2.03Å; C246-C264 PolarHBondContact SG-SG 3.46Å; E252-C264 WeakPolarHBondContact O-CA 3.38Å; C264-P274 VanDerWaalsContact C-CG 3.43Å; C264-P274 HydrophobicContact CB-CB 3.81Å; C264-P274 HydrophobicContact CB-CG 3.81Å; C264-P274 WeakPolarHBondContact O-CG 3.48Å; C264-Y275 HydrophobicContact CB-CD1 4Å; C264-Y275 HydrophobicContact CB-CE1 3.6Å; C264-Y275 HydrophobicContact CB-CE2 4.19Å; C264-Y275 HydrophobicContact CB-CG 4.46Å; C264-Y275 PolarHBondContact N-OH 2.89Å; C264-Y275 VanDerWaalsContact N-OH 3.08Å; C264-Y275 WeakPolarHBondContact SG-CE1 3.25Å
265	N	94.8	Very high	92.4	Very high	31 Å²	31	37.8 Å²	37.8	17%	0.166	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	151.2	174.2	-82.3	-9.7	0	0	0	110	L78 S251 E252 V254	L78-N265 PolarHBondContact O-OD1 2.79Å; S251-N265 CarbonylContact C-O 3.37Å; S251-N265 WeakPolarHBondContact CA-O 3.38Å; S251-N265 WeakPolarHBondContact CB-O 3.43Å; E252-N265 HydrophobicContact CG-CB 4.37Å; E252-N265 PolarHBondContact N-O 2.86Å; E252-N265 PolarHBondContact O-N 3.47Å; V254-N265 HydrophobicContact CG2-CB 4.23Å
266	C	94.2	Very high	92.3	Very high	22 Å²	22	36 Å²	36	15%	0.149	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	140.5	166.5	-64.3	0	0	0	0	109.4	H250 Y270 C280	H250-C266 CarbonylContact O-C 3.55Å; H250-C266 WeakPolarHBondContact O-CA 3.31Å; C266-Y270 WeakPolarHBondContact CB-O 3.36Å; C266-C280 WeakPolarHBondContact CA-SG 3.38Å; C266-C280 HydrophobicContact CB-CB 3.8Å; C266-C280 WeakPolarHBondContact CB-SG 3.41Å; C266-C280 VanDerWaalsContact SG-CA 3.53Å; C266-C280 WeakPolarHBondContact SG-CB 3.27Å; C266-C280 CovalentContact SG-SG 2.04Å; C266-C280 PolarHBondContact SG-SG 3.23Å
267	T	93.4	Very high	92.1	Very high	38 Å²	38	38.3 Å²	38.3	23%	0.233	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-64	156.7	175.2	54	0	0	0	0	110.4	H250 E252 G269 Y270	H250-T267 PolarHBondContact O-N 3.24Å; H250-T267 PolarHBondContact O-OG1 3.08Å; E252-T267 HydrophobicContact CB-CG2 4.22Å; E252-T267 HydrophobicContact CG-CG2 4.38Å; T267-G269 PolarHBondContact O-N 3.47Å; T267-Y270 WeakPolarHBondContact O-CB 3.42Å; T267-Y270 PolarHBondContact O-N 3.26Å
268	L	89.8	Confident	91.9	Very high	147 Å²	147	39 Å²	39	77%	0.77	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.6	134.2	177.7	-170.9	69.8	0	0	0	112	W305	L268-W305 HydrophobicContact CD2-CZ3 4.41Å
269	G	89.2	Confident	91.8	Very high	12 Å²	12	39.4 Å²	39.4	12%	0.124	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	-8.7	-174.7	0	0	0	0	0	114.2	T267 V283	T267-G269 PolarHBondContact O-N 3.47Å; G269-V283 WeakPolarHBondContact O-CB 3.48Å; G269-V283 WeakPolarHBondContact O-CG2 3.32Å; G269-V283 PolarHBondContact O-N 3.32Å
270	Y	93	Very high	92	Very high	32 Å²	32	38.2 Å²	38.2	13%	0.125	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	149.6	179.1	-60.6	-101.4	0	0	0	111.1	H250 C266 T267 I281 D282 E303 G304	H250-Y270 HydrophobicContact CB-CD1 3.72Å; H250-Y270 HydrophobicContact CB-CD2 3.84Å; H250-Y270 HydrophobicContact CB-CE1 3.95Å; H250-Y270 HydrophobicContact CB-CE2 4.06Å; H250-Y270 HydrophobicContact CB-CG 3.66Å; H250-Y270 AromaticContact CD2-CD1 3.96Å; H250-Y270 AromaticContact CD2-CE1 3.41Å; H250-Y270 VanDerWaalsContact CD2-CE1 3.41Å; H250-Y270 WeakPolarHBondContact CD2-CE1 3.49Å; H250-Y270 AromaticContact CD2-CZ 3.69Å; H250-Y270 AromaticContact CE1-CZ 3.52Å; H250-Y270 PolarHBondContact CE1-OH 2.88Å; H250-Y270 AromaticContact CG-CD1 3.77Å; H250-Y270 AromaticContact CG-CE1 3.45Å; H250-Y270 VanDerWaalsContact CG-CE1 3.45Å; H250-Y270 AromaticContact CG-CE2 3.75Å; H250-Y270 AromaticContact CG-CZ 3.44Å; H250-Y270 VanDerWaalsContact CG-CZ 3.44Å; H250-Y270 AromaticContact ND1-CE1 3.86Å; H250-Y270 AromaticContact ND1-CE2 3.53Å; H250-Y270 AromaticContact ND1-CZ 3.33Å; H250-Y270 VanDerWaalsContact ND1-CZ 3.33Å; H250-Y270 PolarHBondContact ND1-OH 3.3Å; H250-Y270 AromaticContact NE2-CE1 3.86Å; H250-Y270 AromaticContact NE2-CZ 3.8Å; H250-Y270 PolarHBondContact NE2-OH 3.1Å; C266-Y270 WeakPolarHBondContact CB-O 3.36Å; T267-Y270 WeakPolarHBondContact O-CB 3.42Å; T267-Y270 PolarHBondContact O-N 3.26Å; Y270-I281 CarbonylContact C-O 3.54Å; Y270-I281 VanDerWaalsContact CA-O 3.32Å; Y270-I281 WeakPolarHBondContact CA-O 3.17Å; Y270-D282 HydrophobicContact CD1-CB 4.43Å; Y270-D282 HydrophobicContact CE1-CB 4.27Å; Y270-E303 HydrophobicContact CE1-CG 4.49Å; Y270-G304 VanDerWaalsContact CE2-CA 3.44Å
271	H	90.8	Very high	92.1	Very high	104 Å²	104	39.8 Å²	39.8	48%	0.481	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	161.7	176.1	74.9	-59.4	0	0	0	110.5	C280 I281 V283	H271-C280 CarbonylContact O-C 3.47Å; H271-I281 PolarHBondContact N-O 2.85Å; H271-I281 PolarHBondContact ND1-O 2.94Å; H271-I281 VanDerWaalsContact ND1-O 3.08Å; H271-I281 PolarHBondContact O-N 2.81Å; H271-V283 HydrophobicContact CB-CG2 3.71Å; H271-V283 WeakPolarHBondContact ND1-CG2 3.22Å
272	G	91.8	Very high	92.1	Very high	47 Å²	47	41.7 Å²	41.7	49%	0.485	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	123.7	-142.8	179.1	0	0	0	0	0	111.8	P274 G279	G272-P274 WeakPolarHBondContact O-CD 3.37Å; G272-G279 CarbonylContact C-O 3.54Å; G272-G279 WeakPolarHBondContact CA-O 3.27Å
273	N	93.4	Very high	92	Very high	21 Å²	21	42.8 Å²	42.8	11%	0.112	24%	0.244	C	C	.	.			trans	-109.5	104.5	-171.2	-169.6	-26.4	0	0	0	111.8	Y37 L77 Y275 I276 G279	Y37-N273 PolarHBondContact O-ND2 3.06Å; Y37-N273 PolarHBondContact O-OD1 3.41Å; L77-N273 HydrophobicContact CD1-CB 4.21Å; N273-Y275 PolarHBondContact O-N 3.5Å; N273-Y275 WeakPolarHBondContact OD1-CB 3.46Å; N273-Y275 WeakPolarHBondContact OD1-CD2 3.23Å; N273-Y275 PolarHBondContact OD1-N 3.33Å; N273-I276 HydrophobicContact CB-CD1 4.03Å; N273-I276 HydrophobicContact CB-CG1 4.03Å; N273-G279 PolarHBondContact N-O 3.03Å; N273-G279 CarbonylContact O-C 3.55Å; N273-G279 VanDerWaalsContact O-C 3.31Å; N273-G279 WeakPolarHBondContact O-CA 3.44Å
274	P	94.2	Very high	91.7	Very high	4 Å²	4	44.4 Å²	44.4	3%	0.026	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-12.1	-176.7	27.4	-31.7	0	0	0	114.2	R247 S248 S251 C264 G272	R247-P274 PolarHBondContact N-O 2.91Å; S248-P274 PolarHBondContact N-O 2.96Å; S248-P274 VanDerWaalsContact N-O 3.14Å; S251-P274 VanDerWaalsContact CB-CB 3.5Å; C264-P274 VanDerWaalsContact C-CG 3.43Å; C264-P274 HydrophobicContact CB-CB 3.81Å; C264-P274 HydrophobicContact CB-CG 3.81Å; C264-P274 WeakPolarHBondContact O-CG 3.48Å; G272-P274 WeakPolarHBondContact O-CD 3.37Å
275	Y	92.2	Very high	91.4	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-11.7	-176.2	-58.7	-85.9	0	0	0	113.5	Y37 P38 L77 W229 I231 A245 C264 N273	Y37-Y275 WeakPolarHBondContact CE1-O 3.49Å; P38-Y275 HydrophobicContact CG-CD1 4.23Å; P38-Y275 HydrophobicContact CG-CD2 4.37Å; P38-Y275 HydrophobicContact CG-CE1 4.33Å; P38-Y275 HydrophobicContact CG-CE2 4.48Å; P38-Y275 HydrophobicContact CG-CG 4.24Å; L77-Y275 HydrophobicContact CB-CE2 4.49Å; L77-Y275 HydrophobicContact CD1-CD2 4.35Å; L77-Y275 HydrophobicContact CD2-CE2 4.25Å; W229-Y275 HydrophobicContact CH2-CE2 4.08Å; W229-Y275 AromaticContact CH2-CZ 3.86Å; W229-Y275 WeakPolarHBondContact CH2-OH 3.49Å; W229-Y275 AromaticContact CZ3-CZ 3.94Å; W229-Y275 WeakPolarHBondContact CZ3-OH 3.45Å; I231-Y275 HydrophobicContact CD1-CE1 4.24Å; I231-Y275 HydrophobicContact CG1-CE1 3.83Å; A245-Y275 HydrophobicContact CB-CD1 4.26Å; A245-Y275 WeakPolarHBondContact O-CA 3.32Å; C264-Y275 HydrophobicContact CB-CD1 4Å; C264-Y275 HydrophobicContact CB-CE1 3.6Å; C264-Y275 HydrophobicContact CB-CE2 4.19Å; C264-Y275 HydrophobicContact CB-CG 4.46Å; C264-Y275 PolarHBondContact N-OH 2.89Å; C264-Y275 VanDerWaalsContact N-OH 3.08Å; C264-Y275 WeakPolarHBondContact SG-CE1 3.25Å; N273-Y275 PolarHBondContact O-N 3.5Å; N273-Y275 WeakPolarHBondContact OD1-CB 3.46Å; N273-Y275 WeakPolarHBondContact OD1-CD2 3.23Å; N273-Y275 PolarHBondContact OD1-N 3.33Å
276	I	90.6	Very high	91.1	Very high	48 Å²	48	45.4 Å²	45.4	25%	0.246	26%	0.259	C	S	.	.	S	Bend	trans	-111.9	151.2	175.9	64.6	-179.1	0	0	0	110.8	Y37 S248 N273 D278 G279	Y37-I276 HydrophobicContact CD1-CG2 3.41Å; Y37-I276 VanDerWaalsContact CD1-CG2 3.41Å; Y37-I276 HydrophobicContact CE1-CG2 4.15Å; Y37-I276 HydrophobicContact CG-CG2 3.83Å; S248-I276 WeakPolarHBondContact CB-O 3.43Å; S248-I276 PolarHBondContact N-O 3.27Å; N273-I276 HydrophobicContact CB-CD1 4.03Å; N273-I276 HydrophobicContact CB-CG1 4.03Å; I276-D278 PolarHBondContact O-N 3.21Å; I276-G279 PolarHBondContact O-N 3.35Å
277	T	88.6	Confident	90.7	Very high	67 Å²	67	51.8 Å²	51.8	41%	0.411	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	132.2	173.6	-45.9	0	0	0	0	110	Q21 G279	Q21-T277 PolarHBondContact NE2-OG1 3.41Å; Q21-T277 VanDerWaalsContact NE2-OG1 3.12Å; T277-G279 PolarHBondContact O-N 3Å
278	D	88.9	Confident	90.1	Very high	117 Å²	117	54.8 Å²	54.8	63%	0.626	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	20.3	-179	-54.2	-37	0	0	0	115.3	I276	I276-D278 PolarHBondContact O-N 3.21Å
279	G	90.3	Very high	89.5	Confident	8 Å²	8	56.6 Å²	56.6	8%	0.082	31%	0.309	C	S	.	.			trans	-78.1	-15.6	-179.9	0	0	0	0	0	115.6	S248 G272 N273 I276 T277	S248-G279 PolarHBondContact OG-N 3.22Å; G272-G279 CarbonylContact C-O 3.54Å; G272-G279 WeakPolarHBondContact CA-O 3.27Å; N273-G279 PolarHBondContact N-O 3.03Å; N273-G279 CarbonylContact O-C 3.55Å; N273-G279 VanDerWaalsContact O-C 3.31Å; N273-G279 WeakPolarHBondContact O-CA 3.44Å; I276-G279 PolarHBondContact O-N 3.35Å; T277-G279 PolarHBondContact O-N 3Å
280	C	93.5	Very high	89.1	Confident	8 Å²	8	64.2 Å²	64.2	5%	0.054	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	110.4	168.7	-66.7	0	0	0	0	109.5	S248 H250 C266 H271	S248-C280 WeakPolarHBondContact OG-CB 3.31Å; S248-C280 PolarHBondContact OG-N 3.36Å; H250-C280 HydrophobicContact CB-CB 4.07Å; H250-C280 PolarHBondContact O-SG 3.47Å; H250-C280 VanDerWaalsContact O-SG 3.38Å; C266-C280 WeakPolarHBondContact CA-SG 3.38Å; C266-C280 HydrophobicContact CB-CB 3.8Å; C266-C280 WeakPolarHBondContact CB-SG 3.41Å; C266-C280 VanDerWaalsContact SG-CA 3.53Å; C266-C280 WeakPolarHBondContact SG-CB 3.27Å; C266-C280 CovalentContact SG-SG 2.04Å; C266-C280 PolarHBondContact SG-SG 3.23Å; H271-C280 CarbonylContact O-C 3.47Å
281	I	91.7	Very high	88.4	Confident	104 Å²	104	65.6 Å²	65.6	53%	0.533	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.2	-176.2	-53.4	170.2	0	0	0	108.6	Y270 H271 V283	Y270-I281 CarbonylContact C-O 3.54Å; Y270-I281 VanDerWaalsContact CA-O 3.32Å; Y270-I281 WeakPolarHBondContact CA-O 3.17Å; H271-I281 PolarHBondContact N-O 2.85Å; H271-I281 PolarHBondContact ND1-O 2.94Å; H271-I281 VanDerWaalsContact ND1-O 3.08Å; H271-I281 PolarHBondContact O-N 2.81Å; I281-V283 PolarHBondContact O-N 2.99Å
282	D	92.1	Very high	88	Confident	42 Å²	42	61.9 Å²	61.9	23%	0.225	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	128.6	173.6	-176.4	51.7	0	0	0	111.1	Y270 N301 G304	Y270-D282 HydrophobicContact CD1-CB 4.43Å; Y270-D282 HydrophobicContact CE1-CB 4.27Å; D282-N301 PolarHBondContact OD2-ND2 3.12Å; D282-G304 WeakPolarHBondContact OD1-CA 3.5Å; D282-G304 PolarHBondContact OD1-N 2.77Å
283	V	90.2	Very high	87.6	Confident	29 Å²	29	60 Å²	60	18%	0.176	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-82	121.6	174.6	178.2	0	0	0	0	107.5	G269 H271 I281 E285 Q288 N301	G269-V283 WeakPolarHBondContact O-CB 3.48Å; G269-V283 WeakPolarHBondContact O-CG2 3.32Å; G269-V283 PolarHBondContact O-N 3.32Å; H271-V283 HydrophobicContact CB-CG2 3.71Å; H271-V283 WeakPolarHBondContact ND1-CG2 3.22Å; I281-V283 PolarHBondContact O-N 2.99Å; V283-E285 HydrophobicContact CG1-CG 4.11Å; V283-E285 PolarHBondContact O-N 3.11Å; V283-E285 VanDerWaalsContact O-OE2 3.07Å; V283-Q288 VanDerWaalsContact CG1-NE2 3.29Å; V283-N301 PolarHBondContact O-OD1 2.74Å
284	N	89.5	Confident	87.1	Confident	50 Å²	50	59.6 Å²	59.6	27%	0.267	32%	0.318	S	S	.	.			trans	-76.6	89.7	169.5	-172.5	-12.6	0	0	0	109.9	C286 E287 N301	N284-C286 PolarHBondContact O-N 3.3Å; N284-C286 VanDerWaalsContact O-N 3.14Å; N284-C286 WeakPolarHBondContact OD1-CB 3.18Å; N284-C286 PolarHBondContact OD1-N 2.76Å; N284-E287 HydrophobicContact CB-CB 4.43Å; N284-E287 WeakPolarHBondContact ND2-CG 3.33Å; N284-E287 PolarHBondContact ND2-OE1 3.06Å; N284-E287 PolarHBondContact ND2-OE2 3.44Å; N284-E287 PolarHBondContact O-N 2.83Å; N284-E287 VanDerWaalsContact O-N 3.13Å; N284-N301 WeakPolarHBondContact CA-OD1 3.44Å; N284-N301 WeakPolarHBondContact OD1-CB 3.46Å
285	E	88.4	Confident	86.3	Confident	19 Å²	19	69.6 Å²	69.6	9%	0.089	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-65.6	-19.9	-176.7	-57.5	93.9	163.2	0	0	112.5	V283 E287 P292 N301 Y306	V283-E285 HydrophobicContact CG1-CG 4.11Å; V283-E285 PolarHBondContact O-N 3.11Å; V283-E285 VanDerWaalsContact O-OE2 3.07Å; E285-E287 VanDerWaalsContact C-N 3.29Å; E285-E287 PolarHBondContact O-N 2.95Å; E285-P292 HydrophobicContact CB-CG 4.06Å; E285-P292 WeakPolarHBondContact O-CD 3.5Å; E285-N301 PolarHBondContact N-OD1 3.28Å; E285-N301 PolarHBondContact OE2-OD1 3.32Å; E285-N301 VanDerWaalsContact OE2-OD1 3.07Å; E285-Y306 HydrophobicContact CB-CD1 3.61Å; E285-Y306 HydrophobicContact CB-CE1 4.21Å; E285-Y306 HydrophobicContact CB-CG 4.05Å; E285-Y306 HydrophobicContact CG-CD1 3.7Å; E285-Y306 HydrophobicContact CG-CE1 4.18Å
286	C	87.4	Confident	85.7	Confident	33 Å²	33	72.7 Å²	72.7	22%	0.223	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-71.8	-20.5	177.1	-59.6	0	0	0	0	114	N284 C299 R300 N301	N284-C286 PolarHBondContact O-N 3.3Å; N284-C286 VanDerWaalsContact O-N 3.14Å; N284-C286 WeakPolarHBondContact OD1-CB 3.18Å; N284-C286 PolarHBondContact OD1-N 2.76Å; C286-C299 WeakPolarHBondContact CA-SG 3.42Å; C286-C299 HydrophobicContact CB-CB 3.69Å; C286-C299 WeakPolarHBondContact CB-SG 3.25Å; C286-C299 WeakPolarHBondContact SG-CB 3.48Å; C286-C299 CovalentContact SG-SG 2.03Å; C286-C299 PolarHBondContact SG-SG 2.87Å; C286-R300 VanDerWaalsContact SG-C 3.57Å; C286-N301 PolarHBondContact SG-N 3.28Å
287	E	85.5	Confident	85.4	Confident	157 Å²	157	71.2 Å²	71.2	73%	0.734	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-97	-0.9	-180	-75	178	-172.6	0	0	113.5	N284 E285	N284-E287 HydrophobicContact CB-CB 4.43Å; N284-E287 WeakPolarHBondContact ND2-CG 3.33Å; N284-E287 PolarHBondContact ND2-OE1 3.06Å; N284-E287 PolarHBondContact ND2-OE2 3.44Å; N284-E287 PolarHBondContact O-N 2.83Å; N284-E287 VanDerWaalsContact O-N 3.13Å; E285-E287 VanDerWaalsContact C-N 3.29Å; E285-E287 PolarHBondContact O-N 2.95Å
288	Q	81.8	Confident	85.3	Confident	100 Å²	100	72.8 Å²	72.8	47%	0.467	40%	0.398	S	S	.	.	S	Bend	trans	-65.9	148.4	176.4	-66.8	-178	6.5	0	0	111.6	V283 Q290	V283-Q288 VanDerWaalsContact CG1-NE2 3.29Å; Q288-Q290 CarbonylContact O-C 3.47Å; Q288-Q290 PolarHBondContact O-N 2.84Å
289	N	77.5	Confident	85.4	Confident	185 Å²	185	68.6 Å²	68.6	99%	0.989	38%	0.378	S	S	*	.	S	Bend	trans	-49.3	-33.3	-179.5	-81.2	-20.7	0	0	0	113.6
290	Q	79.3	Confident	85.3	Confident	173 Å²	173	77 Å²	77	81%	0.808	41%	0.407	S	S	*	.	S	Bend	trans	-113.8	103.5	173.3	-135.5	167.6	23.2	0	0	107.6	Q288	Q288-Q290 CarbonylContact O-C 3.47Å; Q288-Q290 PolarHBondContact O-N 2.84Å
291	S	78.7	Confident	85.1	Confident	60 Å²	60	78.8 Å²	78.8	42%	0.42	42%	0.416	S	S	.	.			trans	-55.8	130.7	177.3	-171.3	0	0	0	0	109.3	C293	S291-C293 PolarHBondContact O-N 3.46Å
292	P	82.1	Confident	85	Confident	27 Å²	27	76.4 Å²	76.4	18%	0.175	41%	0.406	C	S	.	.	S	Bend	trans	-68.5	-22.5	178	29.6	-36.9	0	0	0	111.1	E285 Y306 N321	E285-P292 HydrophobicContact CB-CG 4.06Å; E285-P292 WeakPolarHBondContact O-CD 3.5Å; P292-Y306 HydrophobicContact CB-CD2 4.15Å; P292-Y306 HydrophobicContact CB-CE1 4.21Å; P292-Y306 HydrophobicContact CB-CE2 3.49Å; P292-Y306 VanDerWaalsContact CB-CE2 3.49Å; P292-Y306 HydrophobicContact CG-CD1 4.41Å; P292-Y306 HydrophobicContact CG-CD2 3.69Å; P292-Y306 HydrophobicContact CG-CE1 4.31Å; P292-Y306 HydrophobicContact CG-CE2 3.58Å; P292-Y306 HydrophobicContact CG-CG 4.12Å; P292-N321 PolarHBondContact O-ND2 2.78Å; P292-N321 VanDerWaalsContact O-ND2 3.09Å
293	C	84.5	Confident	84.8	Confident	8 Å²	8	81.2 Å²	81.2	5%	0.054	43%	0.427	C	S	.	.	S	Bend	trans	-81.2	146.5	177.4	-61.2	0	0	0	0	111.6	S291 A297 C299 C308	S291-C293 PolarHBondContact O-N 3.46Å; C293-A297 HydrophobicContact CB-CB 4.13Å; C293-C299 HydrophobicContact CB-CB 4.1Å; C293-C299 VanDerWaalsContact SG-CA 3.57Å; C293-C299 WeakPolarHBondContact SG-CB 3.42Å; C293-C299 PolarHBondContact SG-SG 3.32Å; C293-C308 WeakPolarHBondContact CA-SG 2.97Å; C293-C308 HydrophobicContact CB-CB 3.81Å; C293-C308 WeakPolarHBondContact CB-SG 3.19Å; C293-C308 WeakPolarHBondContact SG-CA 3.3Å; C293-C308 WeakPolarHBondContact SG-CB 2.95Å; C293-C308 CovalentContact SG-SG 2.03Å; C293-C308 PolarHBondContact SG-SG 3.4Å
294	P	83	Confident	84.5	Confident	12 Å²	12	80.4 Å²	80.4	8%	0.078	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-69.7	157.4	-177.7	31.8	-36.9	0	0	0	111.8	G296 A297 L316 N321	P294-G296 PolarHBondContact O-N 2.77Å; P294-G296 VanDerWaalsContact O-N 3.08Å; P294-A297 HydrophobicContact CG-CB 3.76Å; P294-A297 WeakPolarHBondContact O-CB 2.89Å; P294-A297 PolarHBondContact O-N 3.36Å; P294-L316 HydrophobicContact CG-CD1 3.45Å; P294-L316 VanDerWaalsContact CG-CD1 3.45Å; P294-N321 WeakPolarHBondContact CB-O 3.41Å; P294-N321 WeakPolarHBondContact CD-OD1 3.42Å
295	K	77.5	Confident	84.5	Confident	214 Å²	214	85.3 Å²	85.3	93%	0.93	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	119.9	179.6	-73.1	-172.4	177.4	-178.3	0	110.8
296	G	78.7	Confident	84.5	Confident	65 Å²	65	87.9 Å²	87.9	67%	0.67	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	-3	-179.7	0	0	0	0	0	115.5	P294 P311	P294-G296 PolarHBondContact O-N 2.77Å; P294-G296 VanDerWaalsContact O-N 3.08Å; G296-P311 WeakPolarHBondContact O-CD 3.32Å
297	A	84.7	Confident	84.5	Confident	18 Å²	18	91.7 Å²	91.7	15%	0.149	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-83.9	148.4	165.2	0	0	0	0	0	110.7	C293 P294 S309	C293-A297 HydrophobicContact CB-CB 4.13Å; P294-A297 HydrophobicContact CG-CB 3.76Å; P294-A297 WeakPolarHBondContact O-CB 2.89Å; P294-A297 PolarHBondContact O-N 3.36Å; A297-S309 CarbonylContact C-O 3.58Å; A297-S309 WeakPolarHBondContact CA-O 3.39Å
298	T	86.9	Confident	84.7	Confident	100 Å²	100	84.9 Å²	84.9	61%	0.613	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	120.7	171.1	-54.2	0	0	0	0	108.8	S309	T298-S309 PolarHBondContact N-O 3.14Å; T298-S309 PolarHBondContact O-N 3.03Å
299	C	89.3	Confident	84.8	Confident	29 Å²	29	82.9 Å²	82.9	20%	0.196	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	132	171.7	-168.7	0	0	0	0	109.8	C286 C293	C286-C299 WeakPolarHBondContact CA-SG 3.42Å; C286-C299 HydrophobicContact CB-CB 3.69Å; C286-C299 WeakPolarHBondContact CB-SG 3.25Å; C286-C299 WeakPolarHBondContact SG-CB 3.48Å; C286-C299 CovalentContact SG-SG 2.03Å; C286-C299 PolarHBondContact SG-SG 2.87Å; C293-C299 HydrophobicContact CB-CB 4.1Å; C293-C299 VanDerWaalsContact SG-CA 3.57Å; C293-C299 WeakPolarHBondContact SG-CB 3.42Å; C293-C299 PolarHBondContact SG-SG 3.32Å
300	R	88.8	Confident	85.2	Confident	184 Å²	184	75.4 Å²	75.4	69%	0.694	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	116.3	171.6	-177.5	-179.5	178	-173.2	-0.4	109	C286 H307	C286-R300 VanDerWaalsContact SG-C 3.57Å; R300-H307 PolarHBondContact N-O 2.99Å; R300-H307 PolarHBondContact O-N 3.49Å
301	N	89.9	Confident	85.3	Confident	45 Å²	45	70.4 Å²	70.4	24%	0.241	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	142.9	175.4	-162.2	62.4	0	0	0	111	D282 V283 N284 E285 C286	D282-N301 PolarHBondContact OD2-ND2 3.12Å; V283-N301 PolarHBondContact O-OD1 2.74Å; N284-N301 WeakPolarHBondContact CA-OD1 3.44Å; N284-N301 WeakPolarHBondContact OD1-CB 3.46Å; E285-N301 PolarHBondContact N-OD1 3.28Å; E285-N301 PolarHBondContact OE2-OD1 3.32Å; E285-N301 VanDerWaalsContact OE2-OD1 3.07Å; C286-N301 PolarHBondContact SG-N 3.28Å
302	T	88.8	Confident	85.2	Confident	55 Å²	55	75.1 Å²	75.1	34%	0.337	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	156.9	174.1	46.6	0	0	0	0	108.6	G304 W305	T302-G304 PolarHBondContact O-N 3.4Å; T302-G304 VanDerWaalsContact O-N 3.08Å; T302-W305 CarbonylContact C-O 3.53Å; T302-W305 VanDerWaalsContact C-O 3.27Å; T302-W305 VanDerWaalsContact CA-O 3.31Å; T302-W305 WeakPolarHBondContact CA-O 3.48Å; T302-W305 PolarHBondContact N-O 2.77Å; T302-W305 CarbonylContact O-C 3.54Å; T302-W305 PolarHBondContact O-N 2.83Å; T302-W305 PolarHBondContact OG1-O 2.93Å
303	E	87.6	Confident	84.7	Confident	142 Å²	142	76.4 Å²	76.4	66%	0.664	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	118.3	-179.1	-158.7	-171.3	154.3	0	0	110.7	H250 Y270 W305	H250-E303 IonicContact NE2-OE1 3.82Å; Y270-E303 HydrophobicContact CE1-CG 4.49Å; E303-W305 VanDerWaalsContact C-N 3.33Å
304	G	85	Confident	84.4	Confident	12 Å²	12	82.7 Å²	82.7	12%	0.124	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	6.8	-176.8	0	0	0	0	0	115.5	Y270 D282 T302	Y270-G304 VanDerWaalsContact CE2-CA 3.44Å; D282-G304 WeakPolarHBondContact OD1-CA 3.5Å; D282-G304 PolarHBondContact OD1-N 2.77Å; T302-G304 PolarHBondContact O-N 3.4Å; T302-G304 VanDerWaalsContact O-N 3.08Å
305	W	89.5	Confident	84.1	Confident	154 Å²	154	87.1 Å²	87.1	58%	0.583	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-165	172.6	-172.6	-158.1	-98.3	0	0	0	113.9	L268 T302 E303	L268-W305 HydrophobicContact CD2-CZ3 4.41Å; T302-W305 CarbonylContact C-O 3.53Å; T302-W305 VanDerWaalsContact C-O 3.27Å; T302-W305 VanDerWaalsContact CA-O 3.31Å; T302-W305 WeakPolarHBondContact CA-O 3.48Å; T302-W305 PolarHBondContact N-O 2.77Å; T302-W305 CarbonylContact O-C 3.54Å; T302-W305 PolarHBondContact O-N 2.83Å; T302-W305 PolarHBondContact OG1-O 2.93Å; E303-W305 VanDerWaalsContact C-N 3.33Å
306	Y	88.1	Confident	84.1	Confident	73 Å²	73	79.7 Å²	79.7	29%	0.286	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	150.2	170.8	62.7	-81.9	0	0	0	112.8	E285 P292	E285-Y306 HydrophobicContact CB-CD1 3.61Å; E285-Y306 HydrophobicContact CB-CE1 4.21Å; E285-Y306 HydrophobicContact CB-CG 4.05Å; E285-Y306 HydrophobicContact CG-CD1 3.7Å; E285-Y306 HydrophobicContact CG-CE1 4.18Å; P292-Y306 HydrophobicContact CB-CD2 4.15Å; P292-Y306 HydrophobicContact CB-CE1 4.21Å; P292-Y306 HydrophobicContact CB-CE2 3.49Å; P292-Y306 VanDerWaalsContact CB-CE2 3.49Å; P292-Y306 HydrophobicContact CG-CD1 4.41Å; P292-Y306 HydrophobicContact CG-CD2 3.69Å; P292-Y306 HydrophobicContact CG-CE1 4.31Å; P292-Y306 HydrophobicContact CG-CE2 3.58Å; P292-Y306 HydrophobicContact CG-CG 4.12Å
307	H	87.8	Confident	84.1	Confident	112 Å²	112	77.9 Å²	77.9	52%	0.519	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.7	174.8	-162.5	-51.9	0	0	0	111	R300	R300-H307 PolarHBondContact N-O 2.99Å; R300-H307 PolarHBondContact O-N 3.49Å
308	C	88.4	Confident	83.5	Confident	14 Å²	14	86.2 Å²	86.2	10%	0.095	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.6	171.6	-56.9	0	0	0	0	110.4	C293 L316	C293-C308 WeakPolarHBondContact CA-SG 2.97Å; C293-C308 HydrophobicContact CB-CB 3.81Å; C293-C308 WeakPolarHBondContact CB-SG 3.19Å; C293-C308 WeakPolarHBondContact SG-CA 3.3Å; C293-C308 WeakPolarHBondContact SG-CB 2.95Å; C293-C308 CovalentContact SG-SG 2.03Å; C293-C308 PolarHBondContact SG-SG 3.4Å; C308-L316 HydrophobicContact CB-CD1 4.46Å; C308-L316 HydrophobicContact CB-CD2 3.73Å
309	S	85.2	Confident	82.8	Confident	58 Å²	58	90.8 Å²	90.8	41%	0.406	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.4	177.8	-66.8	0	0	0	0	110.3	A297 T298	A297-S309 CarbonylContact C-O 3.58Å; A297-S309 WeakPolarHBondContact CA-O 3.39Å; T298-S309 PolarHBondContact N-O 3.14Å; T298-S309 PolarHBondContact O-N 3.03Å
310	C	84.8	Confident	82	Confident	28 Å²	28	93.5 Å²	93.5	19%	0.189	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-81.3	154.6	174.8	-70.4	0	0	0	0	111.1	R314 L316 C323	C310-R314 HydrophobicContact CB-CB 4.1Å; C310-R314 WeakPolarHBondContact CB-O 3.23Å; C310-L316 VanDerWaalsContact SG-CA 3.59Å; C310-C323 HydrophobicContact CB-CB 3.86Å; C310-C323 WeakPolarHBondContact CB-SG 3.43Å; C310-C323 WeakPolarHBondContact SG-CA 3.36Å; C310-C323 WeakPolarHBondContact SG-CB 3.36Å; C310-C323 CovalentContact SG-SG 2.04Å; C310-C323 PolarHBondContact SG-SG 2.83Å
311	P	81.8	Confident	81.3	Confident	68 Å²	68	88.5 Å²	88.5	44%	0.442	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-59.7	154.7	173.4	22.5	-31.6	0	0	0	111.6	G296 G313 R314	G296-P311 WeakPolarHBondContact O-CD 3.32Å; P311-G313 PolarHBondContact O-N 2.87Å; P311-R314 PolarHBondContact O-N 2.87Å
312	V	77.2	Confident	80.8	Confident	159 Å²	159	88.9 Å²	88.9	96%	0.964	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	130.8	-177.2	-178.7	0	0	0	0	110.9
313	G	71.8	Confident	80.2	Confident	54 Å²	54	87 Å²	87	56%	0.557	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	2	-176.7	0	0	0	0	0	115.1	P311 D326	P311-G313 PolarHBondContact O-N 2.87Å; G313-D326 PolarHBondContact O-N 3.03Å
314	R	78	Confident	79.8	Confident	141 Å²	141	83.6 Å²	83.6	53%	0.532	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.3	174.7	-60.6	-166.8	174.2	-172.4	0.1	111.4	C310 P311 C323 N324	C310-R314 HydrophobicContact CB-CB 4.1Å; C310-R314 WeakPolarHBondContact CB-O 3.23Å; P311-R314 PolarHBondContact O-N 2.87Å; R314-C323 HydrophobicContact CB-CB 4.23Å; R314-N324 CarbonylContact C-O 3.55Å; R314-N324 WeakPolarHBondContact CA-O 3.23Å; R314-N324 VanDerWaalsContact CB-O 3.27Å; R314-N324 WeakPolarHBondContact CB-O 3.47Å
315	K	77.4	Confident	79.2	Confident	104 Å²	104	86.8 Å²	86.8	45%	0.452	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	142.5	174.5	-79.5	-176.8	173.5	138.9	0	110.8	A317 N324 D326 S328	K315-A317 PolarHBondContact O-N 3.46Å; K315-N324 PolarHBondContact N-O 3.15Å; K315-N324 PolarHBondContact O-N 3.38Å; K315-D326 HydrophobicContact CD-CB 4.38Å; K315-D326 WeakPolarHBondContact CD-OD1 3.24Å; K315-D326 VanDerWaalsContact CE-CG 3.48Å; K315-D326 WeakPolarHBondContact CE-OD1 3.35Å; K315-D326 WeakPolarHBondContact CE-OD2 3.5Å; K315-D326 HydrophobicContact CG-CB 4.09Å; K315-D326 IonicContact NZ-OD1 2.65Å; K315-D326 PolarHBondContact NZ-OD1 3.39Å; K315-D326 IonicContact NZ-OD2 3.88Å; K315-D326 PolarHBondContact NZ-OD2 3.07Å; K315-S328 PolarHBondContact NZ-OG 2.94Å
316	L	76.3	Confident	78.2	Confident	59 Å²	59	82.2 Å²	82.2	31%	0.309	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	114.1	174.7	-176.5	69.1	0	0	0	109.3	P294 C308 C310	P294-L316 HydrophobicContact CG-CD1 3.45Å; P294-L316 VanDerWaalsContact CG-CD1 3.45Å; C308-L316 HydrophobicContact CB-CD1 4.46Å; C308-L316 HydrophobicContact CB-CD2 3.73Å; C310-L316 VanDerWaalsContact SG-CA 3.59Å
317	A	79.3	Confident	77.4	Confident	26 Å²	26	82.6 Å²	82.6	22%	0.215	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	110	169.7	0	0	0	0	0	108.8	K315 E319 T320 N321 T322 N324	K315-A317 PolarHBondContact O-N 3.46Å; A317-E319 VanDerWaalsContact C-N 3.32Å; A317-E319 PolarHBondContact O-N 3.08Å; A317-T320 WeakPolarHBondContact CB-OG1 3.36Å; A317-N321 WeakPolarHBondContact O-CA 3.46Å; A317-N321 PolarHBondContact O-N 2.86Å; A317-T322 PolarHBondContact N-O 2.79Å; A317-T322 PolarHBondContact O-N 3.43Å; A317-N324 WeakPolarHBondContact CB-ND2 3.42Å
318	K	71	Confident	76.6	Confident	193 Å²	193	80 Å²	80	84%	0.839	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-35.8	-176.6	-71	-173.1	178.2	-175.5	0	113
319	E	72.1	Confident	75.6	Confident	197 Å²	197	85.9 Å²	85.9	92%	0.921	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-45	-176.1	-66.6	177.5	-179.6	0	0	112.8	A317	A317-E319 VanDerWaalsContact C-N 3.32Å; A317-E319 PolarHBondContact O-N 3.08Å
320	T	72.6	Confident	75	Confident	86 Å²	86	88.4 Å²	88.4	53%	0.528	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-8.7	-178.3	52.6	0	0	0	0	112.9	A317 T322	A317-T320 WeakPolarHBondContact CB-OG1 3.36Å; T320-T322 PolarHBondContact O-N 3.37Å; T320-T322 PolarHBondContact OG1-OG1 3.05Å
321	N	74.6	Confident	74.5	Confident	79 Å²	79	91.3 Å²	91.3	42%	0.422	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.1	60.6	-166.3	-155.9	18.8	0	0	0	110.4	P292 P294 A317	P292-N321 PolarHBondContact O-ND2 2.78Å; P292-N321 VanDerWaalsContact O-ND2 3.09Å; P294-N321 WeakPolarHBondContact CB-O 3.41Å; P294-N321 WeakPolarHBondContact CD-OD1 3.42Å; A317-N321 WeakPolarHBondContact O-CA 3.46Å; A317-N321 PolarHBondContact O-N 2.86Å
322	T	79.9	Confident	74.2	Confident	52 Å²	52	90.1 Å²	90.1	32%	0.319	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	152	178.4	57.6	0	0	0	0	112.3	A317 T320 N324	A317-T322 PolarHBondContact N-O 2.79Å; A317-T322 PolarHBondContact O-N 3.43Å; T320-T322 PolarHBondContact O-N 3.37Å; T320-T322 PolarHBondContact OG1-OG1 3.05Å; T322-N324 PolarHBondContact O-N 3.1Å; T322-N324 PolarHBondContact OG1-OD1 3.14Å
323	C	76.9	Confident	74.3	Confident	16 Å²	16	87.2 Å²	87.2	11%	0.108	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	98.2	168.8	-71.5	0	0	0	0	110.1	C310 R314	C310-C323 HydrophobicContact CB-CB 3.86Å; C310-C323 WeakPolarHBondContact CB-SG 3.43Å; C310-C323 WeakPolarHBondContact SG-CA 3.36Å; C310-C323 WeakPolarHBondContact SG-CB 3.36Å; C310-C323 CovalentContact SG-SG 2.04Å; C310-C323 PolarHBondContact SG-SG 2.83Å; R314-C323 HydrophobicContact CB-CB 4.23Å
324	N	78.3	Confident	74.6	Confident	71 Å²	71	87.4 Å²	87.4	38%	0.38	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	147.1	-180	-67.3	-11.7	0	0	0	110.3	R314 K315 A317 T322 D326	R314-N324 CarbonylContact C-O 3.55Å; R314-N324 WeakPolarHBondContact CA-O 3.23Å; R314-N324 VanDerWaalsContact CB-O 3.27Å; R314-N324 WeakPolarHBondContact CB-O 3.47Å; K315-N324 PolarHBondContact N-O 3.15Å; K315-N324 PolarHBondContact O-N 3.38Å; A317-N324 WeakPolarHBondContact CB-ND2 3.42Å; T322-N324 PolarHBondContact O-N 3.1Å; T322-N324 PolarHBondContact OG1-OD1 3.14Å; N324-D326 PolarHBondContact O-N 3.48Å
325	P	73.4	Confident	74.9	Confident	79 Å²	79	85.2 Å²	85.2	51%	0.513	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	137.2	171	23.6	-32	0	0	0	109.7	I327	P325-I327 VanDerWaalsContact C-N 3.31Å; P325-I327 HydrophobicContact CG-CG1 4.35Å; P325-I327 WeakPolarHBondContact O-CG1 3.42Å; P325-I327 PolarHBondContact O-N 3.01Å
326	D	67.7	Low	75.3	Confident	57 Å²	57	82.2 Å²	82.2	31%	0.305	47%	0.465	S	S	.	.			trans	-74.5	86.6	179.9	-171	3.5	0	0	0	110.3	G313 K315 N324 S328	G313-D326 PolarHBondContact O-N 3.03Å; K315-D326 HydrophobicContact CD-CB 4.38Å; K315-D326 WeakPolarHBondContact CD-OD1 3.24Å; K315-D326 VanDerWaalsContact CE-CG 3.48Å; K315-D326 WeakPolarHBondContact CE-OD1 3.35Å; K315-D326 WeakPolarHBondContact CE-OD2 3.5Å; K315-D326 HydrophobicContact CG-CB 4.09Å; K315-D326 IonicContact NZ-OD1 2.65Å; K315-D326 PolarHBondContact NZ-OD1 3.39Å; K315-D326 IonicContact NZ-OD2 3.88Å; K315-D326 PolarHBondContact NZ-OD2 3.07Å; N324-D326 PolarHBondContact O-N 3.48Å; D326-S328 PolarHBondContact O-N 3.45Å; D326-S328 WeakPolarHBondContact OD1-CB 3.21Å; D326-S328 PolarHBondContact OD1-N 2.83Å; D326-S328 PolarHBondContact OD1-OG 2.9Å
327	I	71.4	Confident	75.7	Confident	81 Å²	81	82.5 Å²	82.5	42%	0.415	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-1.1	176.4	-39.6	-176.9	0	0	0	110.7	P325 L329 I330 I331	P325-I327 VanDerWaalsContact C-N 3.31Å; P325-I327 HydrophobicContact CG-CG1 4.35Å; P325-I327 WeakPolarHBondContact O-CG1 3.42Å; P325-I327 PolarHBondContact O-N 3.01Å; I327-L329 PolarHBondContact O-N 2.94Å; I327-L329 VanDerWaalsContact O-N 3.09Å; I327-I330 HydrophobicContact CG2-CB 3.76Å; I327-I330 HydrophobicContact CG2-CD1 4.07Å; I327-I330 HydrophobicContact CG2-CG1 4.45Å; I327-I330 HydrophobicContact CG2-CG2 4.16Å; I327-I330 PolarHBondContact O-N 2.88Å; I327-I331 HydrophobicContact CB-CD1 4.07Å; I327-I331 HydrophobicContact CB-CG1 4.4Å; I327-I331 HydrophobicContact CG2-CD1 4.12Å; I327-I331 HydrophobicContact CG2-CG1 3.95Å; I327-I331 PolarHBondContact O-N 2.75Å
328	S	69.7	Low	76.2	Confident	58 Å²	58	86.1 Å²	86.1	41%	0.406	49%	0.487	S	S	.	.	H	α-helix	trans	-58	-32.3	-174.2	-48.6	0	0	0	0	112.6	K315 D326 G332	K315-S328 PolarHBondContact NZ-OG 2.94Å; D326-S328 PolarHBondContact O-N 3.45Å; D326-S328 WeakPolarHBondContact OD1-CB 3.21Å; D326-S328 PolarHBondContact OD1-N 2.83Å; D326-S328 PolarHBondContact OD1-OG 2.9Å; S328-G332 WeakPolarHBondContact O-CA 3.42Å; S328-G332 PolarHBondContact O-N 2.8Å
329	L	67.4	Low	77	Confident	137 Å²	137	80.3 Å²	80.3	72%	0.717	47%	0.468	S	S	*	.	H	α-helix	trans	-67.5	-44.6	174.3	-113.2	161.4	0	0	0	111.7	I327 G332 V333	I327-L329 PolarHBondContact O-N 2.94Å; I327-L329 VanDerWaalsContact O-N 3.09Å; L329-G332 PolarHBondContact O-N 3.06Å; L329-V333 WeakPolarHBondContact O-CB 3.37Å; L329-V333 WeakPolarHBondContact O-CG2 3.44Å; L329-V333 PolarHBondContact O-N 3.2Å
330	I	73.1	Confident	77.9	Confident	112 Å²	112	75.8 Å²	75.8	57%	0.574	45%	0.449	S	S	*	.	H	α-helix	trans	-68.7	-43	179	-62.7	164.6	0	0	0	110.5	I327 S334	I327-I330 HydrophobicContact CG2-CB 3.76Å; I327-I330 HydrophobicContact CG2-CD1 4.07Å; I327-I330 HydrophobicContact CG2-CG1 4.45Å; I327-I330 HydrophobicContact CG2-CG2 4.16Å; I327-I330 PolarHBondContact O-N 2.88Å; I330-S334 VanDerWaalsContact O-CB 3.28Å; I330-S334 WeakPolarHBondContact O-CB 3.5Å; I330-S334 PolarHBondContact O-N 3Å; I330-S334 PolarHBondContact O-OG 3.28Å
331	I	74.3	Confident	78.7	Confident	88 Å²	88	76 Å²	76	45%	0.451	45%	0.45	S	S	.	.	H	α-helix	trans	-64.7	-45.3	175.8	-67.4	165.6	0	0	0	110	I327 V333 S334 I335	I327-I331 HydrophobicContact CB-CD1 4.07Å; I327-I331 HydrophobicContact CB-CG1 4.4Å; I327-I331 HydrophobicContact CG2-CD1 4.12Å; I327-I331 HydrophobicContact CG2-CG1 3.95Å; I327-I331 PolarHBondContact O-N 2.75Å; I331-V333 PolarHBondContact O-N 2.83Å; I331-S334 PolarHBondContact O-N 2.75Å; I331-I335 HydrophobicContact CG2-CD1 3.43Å; I331-I335 VanDerWaalsContact CG2-CD1 3.43Å; I331-I335 HydrophobicContact CG2-CG1 4.02Å; I331-I335 WeakPolarHBondContact O-CB 3.4Å; I331-I335 VanDerWaalsContact O-CG1 3.31Å; I331-I335 WeakPolarHBondContact O-CG1 3.45Å; I331-I335 PolarHBondContact O-N 2.71Å
332	G	75.4	Confident	79.5	Confident	44 Å²	44	76.1 Å²	76.1	45%	0.454	45%	0.45	S	S	.	.	H	α-helix	trans	-61	-43.5	178	0	0	0	0	0	112.6	S328 L329 G336	S328-G332 WeakPolarHBondContact O-CA 3.42Å; S328-G332 PolarHBondContact O-N 2.8Å; L329-G332 PolarHBondContact O-N 3.06Å; G332-G336 WeakPolarHBondContact O-CA 3.44Å; G332-G336 PolarHBondContact O-N 3.47Å
333	V	79	Confident	80.1	Confident	98 Å²	98	78 Å²	78	59%	0.594	46%	0.457	S	S	*	.	H	α-helix	trans	-66	-39.7	174.7	171.6	0	0	0	0	111.2	L329 I331 S337	L329-V333 WeakPolarHBondContact O-CB 3.37Å; L329-V333 WeakPolarHBondContact O-CG2 3.44Å; L329-V333 PolarHBondContact O-N 3.2Å; I331-V333 PolarHBondContact O-N 2.83Å; V333-S337 VanDerWaalsContact O-CB 3.24Å; V333-S337 WeakPolarHBondContact O-CB 3.42Å; V333-S337 PolarHBondContact O-N 2.84Å
334	S	79.7	Confident	80.8	Confident	57 Å²	57	81 Å²	81	40%	0.399	47%	0.471	S	S	.	.	H	α-helix	trans	-70.7	-46.8	-179.8	-57.4	0	0	0	0	112.5	I330 I331 S337 I338	I330-S334 VanDerWaalsContact O-CB 3.28Å; I330-S334 WeakPolarHBondContact O-CB 3.5Å; I330-S334 PolarHBondContact O-N 3Å; I330-S334 PolarHBondContact O-OG 3.28Å; I331-S334 PolarHBondContact O-N 2.75Å; S334-S337 WeakPolarHBondContact O-CB 2.9Å; S334-S337 PolarHBondContact O-N 3.4Å; S334-I338 VanDerWaalsContact O-CG1 3.31Å; S334-I338 WeakPolarHBondContact O-CG1 3.44Å; S334-I338 PolarHBondContact O-N 2.75Å
335	I	84.6	Confident	81.4	Confident	96 Å²	96	83.4 Å²	83.4	49%	0.492	48%	0.478	S	S	.	.	H	α-helix	trans	-65	-44.5	175.4	-65.8	175.6	0	0	0	109.8	I331 S337 I338 V339	I331-I335 HydrophobicContact CG2-CD1 3.43Å; I331-I335 VanDerWaalsContact CG2-CD1 3.43Å; I331-I335 HydrophobicContact CG2-CG1 4.02Å; I331-I335 WeakPolarHBondContact O-CB 3.4Å; I331-I335 VanDerWaalsContact O-CG1 3.31Å; I331-I335 WeakPolarHBondContact O-CG1 3.45Å; I331-I335 PolarHBondContact O-N 2.71Å; I335-S337 VanDerWaalsContact C-N 3.27Å; I335-S337 PolarHBondContact O-N 3Å; I335-I338 PolarHBondContact O-N 3.49Å; I335-V339 HydrophobicContact CG2-CG2 4.03Å; I335-V339 WeakPolarHBondContact O-CB 3.42Å; I335-V339 VanDerWaalsContact O-CG2 3.29Å; I335-V339 WeakPolarHBondContact O-CG2 3.31Å; I335-V339 PolarHBondContact O-N 3.41Å
336	G	84.6	Confident	82.3	Confident	40 Å²	40	85.2 Å²	85.2	41%	0.412	48%	0.479	S	S	.	.	H	α-helix	trans	-57.1	-42	175	0	0	0	0	0	111.9	G332 L340	G332-G336 WeakPolarHBondContact O-CA 3.44Å; G332-G336 PolarHBondContact O-N 3.47Å; G336-L340 WeakPolarHBondContact O-CB 3.41Å; G336-L340 PolarHBondContact O-N 3.04Å
337	S	85.1	Confident	83.4	Confident	66 Å²	66	86.5 Å²	86.5	46%	0.462	49%	0.489	S	S	.	.	H	α-helix	trans	-64.1	-46.4	174.6	-177.4	0	0	0	0	112.4	V333 S334 I335 L340 V341	V333-S337 VanDerWaalsContact O-CB 3.24Å; V333-S337 WeakPolarHBondContact O-CB 3.42Å; V333-S337 PolarHBondContact O-N 2.84Å; S334-S337 WeakPolarHBondContact O-CB 2.9Å; S334-S337 PolarHBondContact O-N 3.4Å; I335-S337 VanDerWaalsContact C-N 3.27Å; I335-S337 PolarHBondContact O-N 3Å; S337-L340 PolarHBondContact O-N 2.84Å; S337-V341 WeakPolarHBondContact O-CG2 3.38Å; S337-V341 PolarHBondContact O-N 3.47Å
338	I	88.8	Confident	84.2	Confident	102 Å²	102	91 Å²	91	52%	0.523	50%	0.5	S	S	.	.	H	α-helix	trans	-65.2	-46.2	179.5	-67.9	165	0	0	0	111.2	S334 I335 L340 V341 I342	S334-I338 VanDerWaalsContact O-CG1 3.31Å; S334-I338 WeakPolarHBondContact O-CG1 3.44Å; S334-I338 PolarHBondContact O-N 2.75Å; I335-I338 PolarHBondContact O-N 3.49Å; I338-L340 VanDerWaalsContact C-N 3.3Å; I338-L340 PolarHBondContact O-N 2.92Å; I338-V341 PolarHBondContact O-N 3.48Å; I338-I342 HydrophobicContact CG2-CD1 3.87Å; I338-I342 HydrophobicContact CG2-CG1 4.48Å; I338-I342 WeakPolarHBondContact O-CG1 3.4Å; I338-I342 PolarHBondContact O-N 3.24Å
339	V	89.6	Confident	85.1	Confident	70 Å²	70	91 Å²	91	42%	0.424	50%	0.495	S	S	.	.	H	α-helix	trans	-61.8	-41.1	177	172.2	0	0	0	0	110.2	I335 V341 I342 I343	I335-V339 HydrophobicContact CG2-CG2 4.03Å; I335-V339 WeakPolarHBondContact O-CB 3.42Å; I335-V339 VanDerWaalsContact O-CG2 3.29Å; I335-V339 WeakPolarHBondContact O-CG2 3.31Å; I335-V339 PolarHBondContact O-N 3.41Å; V339-V341 PolarHBondContact O-N 3.07Å; V339-I342 PolarHBondContact O-N 2.99Å; V339-I343 HydrophobicContact CG1-CD1 3.72Å; V339-I343 HydrophobicContact CG1-CG1 4.29Å; V339-I343 WeakPolarHBondContact O-CB 3.31Å; V339-I343 VanDerWaalsContact O-CG1 3.26Å; V339-I343 WeakPolarHBondContact O-CG1 3.38Å; V339-I343 PolarHBondContact O-N 2.93Å
340	L	90.1	Very high	86	Confident	103 Å²	103	88.6 Å²	88.6	54%	0.539	48%	0.482	S	S	.	.	H	α-helix	trans	-62	-42.9	175	-174.6	68.5	0	0	0	111.6	G336 S337 I338 I343 I344	G336-L340 WeakPolarHBondContact O-CB 3.41Å; G336-L340 PolarHBondContact O-N 3.04Å; S337-L340 PolarHBondContact O-N 2.84Å; I338-L340 VanDerWaalsContact C-N 3.3Å; I338-L340 PolarHBondContact O-N 2.92Å; L340-I343 PolarHBondContact O-N 3.07Å; L340-I344 HydrophobicContact CD1-CD1 4.38Å; L340-I344 HydrophobicContact CG-CD1 3.93Å; L340-I344 WeakPolarHBondContact O-CB 3.32Å; L340-I344 WeakPolarHBondContact O-CD1 3.22Å; L340-I344 WeakPolarHBondContact O-CG1 3.18Å; L340-I344 PolarHBondContact O-N 3.43Å
341	V	90.1	Very high	86.5	Confident	90 Å²	90	89.6 Å²	89.6	55%	0.545	48%	0.482	S	S	.	.	H	α-helix	trans	-62.9	-42.3	175.7	171.2	0	0	0	0	111.4	S337 I338 V339 I344 F345	S337-V341 WeakPolarHBondContact O-CG2 3.38Å; S337-V341 PolarHBondContact O-N 3.47Å; I338-V341 PolarHBondContact O-N 3.48Å; V339-V341 PolarHBondContact O-N 3.07Å; V341-I344 PolarHBondContact O-N 3.26Å; V341-F345 WeakPolarHBondContact O-CB 3.47Å; V341-F345 PolarHBondContact O-N 3.07Å
342	I	91.2	Very high	86.9	Confident	82 Å²	82	90.6 Å²	90.6	42%	0.421	49%	0.485	S	S	.	.	H	α-helix	trans	-64.9	-45.1	177.1	-69.2	170.2	0	0	0	110.9	I338 V339 I344 F345 F346	I338-I342 HydrophobicContact CG2-CD1 3.87Å; I338-I342 HydrophobicContact CG2-CG1 4.48Å; I338-I342 WeakPolarHBondContact O-CG1 3.4Å; I338-I342 PolarHBondContact O-N 3.24Å; V339-I342 PolarHBondContact O-N 2.99Å; I342-I344 PolarHBondContact O-N 3.46Å; I342-F345 WeakPolarHBondContact O-CB 3.39Å; I342-F345 PolarHBondContact O-N 3.31Å; I342-F346 HydrophobicContact CG2-CD2 3.53Å; I342-F346 HydrophobicContact CG2-CE2 3.48Å; I342-F346 VanDerWaalsContact CG2-CE2 3.48Å; I342-F346 VanDerWaalsContact O-CD2 3.26Å; I342-F346 WeakPolarHBondContact O-CD2 3.32Å; I342-F346 PolarHBondContact O-N 3.39Å
343	I	91.9	Very high	87.2	Confident	91 Å²	91	97.1 Å²	97.1	47%	0.467	50%	0.496	S	S	.	.	H	α-helix	trans	-60.9	-45.9	175.5	-69.7	169.5	0	0	0	109.9	V339 L340 F345 F346 V347	V339-I343 HydrophobicContact CG1-CD1 3.72Å; V339-I343 HydrophobicContact CG1-CG1 4.29Å; V339-I343 WeakPolarHBondContact O-CB 3.31Å; V339-I343 VanDerWaalsContact O-CG1 3.26Å; V339-I343 WeakPolarHBondContact O-CG1 3.38Å; V339-I343 PolarHBondContact O-N 2.93Å; L340-I343 PolarHBondContact O-N 3.07Å; I343-F345 VanDerWaalsContact C-N 3.28Å; I343-F345 PolarHBondContact O-N 3.41Å; I343-F346 PolarHBondContact O-N 3.23Å; I343-V347 HydrophobicContact CG2-CG2 4.02Å; I343-V347 VanDerWaalsContact O-CB 3.25Å; I343-V347 WeakPolarHBondContact O-CB 3.28Å; I343-V347 WeakPolarHBondContact O-CG2 3.31Å; I343-V347 PolarHBondContact O-N 2.9Å
344	I	91.5	Very high	87.2	Confident	78 Å²	78	100.7 Å²	100.7	40%	0.4	50%	0.499	S	S	.	.	H	α-helix	trans	-59.9	-40.2	176.2	-70	165.7	0	0	0	110.7	L340 V341 I342 R348	L340-I344 HydrophobicContact CD1-CD1 4.38Å; L340-I344 HydrophobicContact CG-CD1 3.93Å; L340-I344 WeakPolarHBondContact O-CB 3.32Å; L340-I344 WeakPolarHBondContact O-CD1 3.22Å; L340-I344 WeakPolarHBondContact O-CG1 3.18Å; L340-I344 PolarHBondContact O-N 3.43Å; V341-I344 PolarHBondContact O-N 3.26Å; I342-I344 PolarHBondContact O-N 3.46Å; I344-R348 HydrophobicContact CG2-CG 4.49Å; I344-R348 VanDerWaalsContact O-CB 3.29Å; I344-R348 WeakPolarHBondContact O-CB 3.26Å; I344-R348 VanDerWaalsContact O-CG 3.26Å; I344-R348 WeakPolarHBondContact O-CG 3.29Å; I344-R348 PolarHBondContact O-N 3.43Å
345	F	90.5	Very high	87.2	Confident	122 Å²	122	103.5 Å²	103.5	54%	0.535	50%	0.504	S	S	.	.	H	α-helix	trans	-65.2	-47.8	177.3	179.6	-104	0	0	0	112.4	V341 I342 I343 R348 I349	V341-F345 WeakPolarHBondContact O-CB 3.47Å; V341-F345 PolarHBondContact O-N 3.07Å; I342-F345 WeakPolarHBondContact O-CB 3.39Å; I342-F345 PolarHBondContact O-N 3.31Å; I343-F345 VanDerWaalsContact C-N 3.28Å; I343-F345 PolarHBondContact O-N 3.41Å; F345-R348 WeakPolarHBondContact O-CB 3.46Å; F345-R348 PolarHBondContact O-N 2.89Å; F345-I349 HydrophobicContact CD1-CD1 3.86Å; F345-I349 HydrophobicContact CE1-CD1 3.3Å; F345-I349 HydrophobicContact CE1-CG1 4.38Å; F345-I349 HydrophobicContact CE2-CD1 4.19Å; F345-I349 HydrophobicContact CZ-CD1 3.5Å; F345-I349 VanDerWaalsContact CZ-CD1 3.5Å; F345-I349 HydrophobicContact CZ-CG1 4.37Å; F345-I349 WeakPolarHBondContact O-CG1 3.41Å; F345-I349 PolarHBondContact O-N 3.02Å
346	F	92.6	Very high	86.8	Confident	117 Å²	117	104 Å²	104	51%	0.513	51%	0.507	S	S	.	.	H	α-helix	trans	-67.1	-40.2	176.6	-80	-68.8	0	0	0	112.3	I342 I343 R348 I349 I350	I342-F346 HydrophobicContact CG2-CD2 3.53Å; I342-F346 HydrophobicContact CG2-CE2 3.48Å; I342-F346 VanDerWaalsContact CG2-CE2 3.48Å; I342-F346 VanDerWaalsContact O-CD2 3.26Å; I342-F346 WeakPolarHBondContact O-CD2 3.32Å; I342-F346 PolarHBondContact O-N 3.39Å; I343-F346 PolarHBondContact O-N 3.23Å; F346-R348 VanDerWaalsContact C-N 3.3Å; F346-R348 PolarHBondContact O-N 3.25Å; F346-I349 PolarHBondContact O-N 2.76Å; F346-I350 WeakPolarHBondContact O-CB 3.46Å; F346-I350 VanDerWaalsContact O-CG1 3.25Å; F346-I350 WeakPolarHBondContact O-CG1 3.11Å; F346-I350 PolarHBondContact O-N 3.2Å
347	V	90.1	Very high	86.4	Confident	85 Å²	85	106.3 Å²	106.3	52%	0.515	51%	0.513	S	S	.	.	H	α-helix	trans	-61.4	-41.3	173.2	170.3	0	0	0	0	109.9	I343 I350 F351	I343-V347 HydrophobicContact CG2-CG2 4.02Å; I343-V347 VanDerWaalsContact O-CB 3.25Å; I343-V347 WeakPolarHBondContact O-CB 3.28Å; I343-V347 WeakPolarHBondContact O-CG2 3.31Å; I343-V347 PolarHBondContact O-N 2.9Å; V347-I350 PolarHBondContact O-N 3.34Å; V347-F351 WeakPolarHBondContact O-CB 3.26Å; V347-F351 PolarHBondContact O-N 3.34Å
348	R	88.9	Confident	86.1	Confident	176 Å²	176	108.1 Å²	108.1	66%	0.664	52%	0.518	S	S	*	.	H	α-helix	trans	-61.6	-46.8	172.6	-81.2	-178.4	176	-173.3	-0.2	112	I344 F345 F346 I350 F351 E352	I344-R348 HydrophobicContact CG2-CG 4.49Å; I344-R348 VanDerWaalsContact O-CB 3.29Å; I344-R348 WeakPolarHBondContact O-CB 3.26Å; I344-R348 VanDerWaalsContact O-CG 3.26Å; I344-R348 WeakPolarHBondContact O-CG 3.29Å; I344-R348 PolarHBondContact O-N 3.43Å; F345-R348 WeakPolarHBondContact O-CB 3.46Å; F345-R348 PolarHBondContact O-N 2.89Å; F346-R348 VanDerWaalsContact C-N 3.3Å; F346-R348 PolarHBondContact O-N 3.25Å; R348-I350 PolarHBondContact O-N 2.9Å; R348-F351 PolarHBondContact O-N 3.29Å; R348-E352 WeakPolarHBondContact O-CB 3.25Å; R348-E352 VanDerWaalsContact O-CG 3.31Å; R348-E352 WeakPolarHBondContact O-CG 3.39Å; R348-E352 PolarHBondContact O-N 3.04Å
349	I	88	Confident	85.5	Confident	58 Å²	58	105.9 Å²	105.9	30%	0.297	51%	0.509	S	S	.	.	H	α-helix	trans	-61.1	-45.8	176.8	-71.6	175.3	0	0	0	111.2	F345 F346 F351 E352 R353	F345-I349 HydrophobicContact CD1-CD1 3.86Å; F345-I349 HydrophobicContact CE1-CD1 3.3Å; F345-I349 HydrophobicContact CE1-CG1 4.38Å; F345-I349 HydrophobicContact CE2-CD1 4.19Å; F345-I349 HydrophobicContact CZ-CD1 3.5Å; F345-I349 VanDerWaalsContact CZ-CD1 3.5Å; F345-I349 HydrophobicContact CZ-CG1 4.37Å; F345-I349 WeakPolarHBondContact O-CG1 3.41Å; F345-I349 PolarHBondContact O-N 3.02Å; F346-I349 PolarHBondContact O-N 2.76Å; I349-F351 VanDerWaalsContact C-N 3.32Å; I349-E352 PolarHBondContact O-N 3.38Å; I349-R353 HydrophobicContact CG2-CG 4.41Å; I349-R353 VanDerWaalsContact O-CB 3.31Å; I349-R353 WeakPolarHBondContact O-CB 3.34Å; I349-R353 VanDerWaalsContact O-CG 3.28Å; I349-R353 WeakPolarHBondContact O-CG 3.48Å; I349-R353 PolarHBondContact O-N 2.84Å
350	I	87.1	Confident	84.6	Confident	86 Å²	86	105.6 Å²	105.6	44%	0.441	50%	0.502	S	S	.	.	H	α-helix	trans	-64.6	-41.2	178.6	-69.6	168	0	0	0	110	F346 V347 R348 R353 R354	F346-I350 WeakPolarHBondContact O-CB 3.46Å; F346-I350 VanDerWaalsContact O-CG1 3.25Å; F346-I350 WeakPolarHBondContact O-CG1 3.11Å; F346-I350 PolarHBondContact O-N 3.2Å; V347-I350 PolarHBondContact O-N 3.34Å; R348-I350 PolarHBondContact O-N 2.9Å; I350-R353 PolarHBondContact O-N 3.1Å; I350-R354 HydrophobicContact CG2-CG 4.34Å; I350-R354 WeakPolarHBondContact O-CB 3.32Å; I350-R354 VanDerWaalsContact O-CG 3.32Å; I350-R354 WeakPolarHBondContact O-CG 3.18Å; I350-R354 PolarHBondContact O-N 3.01Å
351	F	83.7	Confident	83.7	Confident	132 Å²	132	106.8 Å²	106.8	58%	0.579	50%	0.503	S	S	*	.	H	α-helix	trans	-65.5	-45.8	177.9	-170.7	-96.1	0	0	0	111.3	V347 R348 I349 R353 R354 K355	V347-F351 WeakPolarHBondContact O-CB 3.26Å; V347-F351 PolarHBondContact O-N 3.34Å; R348-F351 PolarHBondContact O-N 3.29Å; I349-F351 VanDerWaalsContact C-N 3.32Å; F351-R353 PolarHBondContact O-N 3.29Å; F351-R354 PolarHBondContact O-N 2.96Å; F351-K355 WeakPolarHBondContact O-CB 3.26Å; F351-K355 PolarHBondContact O-N 3.47Å
352	E	82.4	Confident	82.7	Confident	110 Å²	110	108.8 Å²	108.8	51%	0.514	50%	0.504	S	S	.	.	H	α-helix	trans	-63.5	-40.3	175	-70.3	-60.9	163.4	0	0	111.7	R348 I349 K355 L356	R348-E352 WeakPolarHBondContact O-CB 3.25Å; R348-E352 VanDerWaalsContact O-CG 3.31Å; R348-E352 WeakPolarHBondContact O-CG 3.39Å; R348-E352 PolarHBondContact O-N 3.04Å; I349-E352 PolarHBondContact O-N 3.38Å; E352-K355 PolarHBondContact O-N 3.1Å; E352-L356 WeakPolarHBondContact O-CB 3.45Å; E352-L356 PolarHBondContact O-N 2.9Å
353	R	81.9	Confident	81.5	Confident	181 Å²	181	108.2 Å²	108.2	68%	0.683	50%	0.497	S	S	*	.	H	α-helix	trans	-64.6	-45.3	174.5	-77.3	-176.2	177.1	-151.6	0.2	112.1	I349 I350 F351 L356 T357	I349-R353 HydrophobicContact CG2-CG 4.41Å; I349-R353 VanDerWaalsContact O-CB 3.31Å; I349-R353 WeakPolarHBondContact O-CB 3.34Å; I349-R353 VanDerWaalsContact O-CG 3.28Å; I349-R353 WeakPolarHBondContact O-CG 3.48Å; I349-R353 PolarHBondContact O-N 2.84Å; I350-R353 PolarHBondContact O-N 3.1Å; F351-R353 PolarHBondContact O-N 3.29Å; R353-L356 PolarHBondContact O-N 2.68Å; R353-T357 PolarHBondContact O-N 2.97Å; R353-T357 PolarHBondContact O-OG1 2.91Å
354	R	79.8	Confident	80.1	Confident	172 Å²	172	106.3 Å²	106.3	65%	0.649	49%	0.487	S	S	*	.	H	α-helix	trans	-62.8	-45.2	176.3	-78.6	-177.5	176	-175.7	-0.8	110.9	I350 F351 L356 T357 D358	I350-R354 HydrophobicContact CG2-CG 4.34Å; I350-R354 WeakPolarHBondContact O-CB 3.32Å; I350-R354 VanDerWaalsContact O-CG 3.32Å; I350-R354 WeakPolarHBondContact O-CG 3.18Å; I350-R354 PolarHBondContact O-N 3.01Å; F351-R354 PolarHBondContact O-N 2.96Å; R354-L356 VanDerWaalsContact C-N 3.33Å; R354-L356 PolarHBondContact O-N 3.34Å; R354-T357 PolarHBondContact O-N 3.44Å; R354-D358 WeakPolarHBondContact O-CB 3.17Å; R354-D358 VanDerWaalsContact O-CG 3.27Å; R354-D358 PolarHBondContact O-N 3.27Å
355	K	79.8	Confident	78.9	Confident	116 Å²	116	109.1 Å²	109.1	50%	0.504	50%	0.499	S	S	.	.	H	α-helix	trans	-57.5	-44.2	175.8	-173.5	-178.3	176.9	-170.4	0	111.7	F351 E352 V359	F351-K355 WeakPolarHBondContact O-CB 3.26Å; F351-K355 PolarHBondContact O-N 3.47Å; E352-K355 PolarHBondContact O-N 3.1Å; K355-V359 WeakPolarHBondContact O-CB 3.31Å; K355-V359 VanDerWaalsContact O-CG2 3.23Å; K355-V359 WeakPolarHBondContact O-CG2 3.28Å; K355-V359 PolarHBondContact O-N 2.86Å
356	L	75.5	Confident	77.7	Confident	107 Å²	107	107.7 Å²	107.7	56%	0.56	49%	0.494	S	S	*	.	H	α-helix	trans	-64.5	-45.1	176.1	-176.6	63.7	0	0	0	112.1	E352 R353 R354 V359 K360	E352-L356 WeakPolarHBondContact O-CB 3.45Å; E352-L356 PolarHBondContact O-N 2.9Å; R353-L356 PolarHBondContact O-N 2.68Å; R354-L356 VanDerWaalsContact C-N 3.33Å; R354-L356 PolarHBondContact O-N 3.34Å; L356-V359 PolarHBondContact O-N 3.14Å; L356-K360 WeakPolarHBondContact O-CG 3.24Å; L356-K360 PolarHBondContact O-N 3.35Å
357	T	76.7	Confident	76.2	Confident	89 Å²	89	103.2 Å²	103.2	55%	0.546	47%	0.474	S	S	.	.	H	α-helix	trans	-64.7	-40.1	177.9	-57.1	0	0	0	0	112.1	R353 R354 K360 K361	R353-T357 PolarHBondContact O-N 2.97Å; R353-T357 PolarHBondContact O-OG1 2.91Å; R354-T357 PolarHBondContact O-N 3.44Å; T357-K360 PolarHBondContact O-N 2.97Å; T357-K361 WeakPolarHBondContact O-CB 3.17Å; T357-K361 PolarHBondContact O-N 3.41Å
358	D	78.8	Confident	74.7	Confident	104 Å²	104	101.1 Å²	101.1	56%	0.556	47%	0.47	S	S	*	.	H	α-helix	trans	-65.6	-40.3	177.2	-73.3	-20.7	0	0	0	111.1	R354 K361 K362	R354-D358 WeakPolarHBondContact O-CB 3.17Å; R354-D358 VanDerWaalsContact O-CG 3.27Å; R354-D358 PolarHBondContact O-N 3.27Å; D358-K361 PolarHBondContact O-N 3.17Å; D358-K362 VanDerWaalsContact O-CB 3.31Å; D358-K362 WeakPolarHBondContact O-CB 3.25Å; D358-K362 PolarHBondContact O-N 3.34Å
359	V	75	Confident	73.3	Confident	55 Å²	55	92.8 Å²	92.8	33%	0.333	44%	0.438	S	S	.	.	H	α-helix	trans	-62.3	-47	172.8	168.4	0	0	0	0	111.1	K355 L356 K361 K362 Y363	K355-V359 WeakPolarHBondContact O-CB 3.31Å; K355-V359 VanDerWaalsContact O-CG2 3.23Å; K355-V359 WeakPolarHBondContact O-CG2 3.28Å; K355-V359 PolarHBondContact O-N 2.86Å; L356-V359 PolarHBondContact O-N 3.14Å; V359-K361 VanDerWaalsContact C-N 3.35Å; V359-K361 PolarHBondContact O-N 3.36Å; V359-K362 WeakPolarHBondContact O-CB 3.47Å; V359-K362 PolarHBondContact O-N 3.13Å; V359-Y363 HydrophobicContact CG1-CD2 3.85Å; V359-Y363 HydrophobicContact CG1-CE2 3.24Å; V359-Y363 WeakPolarHBondContact O-CD2 3.31Å; V359-Y363 PolarHBondContact O-N 2.67Å
360	K	70.4	Confident	71.7	Confident	63 Å²	63	95.9 Å²	95.9	27%	0.274	46%	0.455	S	S	.	.	H	α-helix	trans	-58.7	-44.5	175.6	-75.6	-171.6	170.9	-150.4	0	112.4	L356 T357 K362 Y363 I364 E464	L356-K360 WeakPolarHBondContact O-CG 3.24Å; L356-K360 PolarHBondContact O-N 3.35Å; T357-K360 PolarHBondContact O-N 2.97Å; K360-K362 VanDerWaalsContact C-N 3.31Å; K360-K362 PolarHBondContact O-N 2.77Å; K360-Y363 PolarHBondContact O-N 3.08Å; K360-I364 WeakPolarHBondContact O-CG1 3.39Å; K360-I364 PolarHBondContact O-N 3.38Å; K360-E464 IonicContact NZ-OE2 3.5Å; K360-E464 PolarHBondContact NZ-OE2 2.57Å
361	K	71.4	Confident	70	Confident	128 Å²	128	98.5 Å²	98.5	56%	0.557	47%	0.469	S	S	*	.	H	α-helix	trans	-65.1	-37.5	177.9	-169.2	175.7	-178.4	179.2	0	111.4	T357 D358 V359 I364 Q365	T357-K361 WeakPolarHBondContact O-CB 3.17Å; T357-K361 PolarHBondContact O-N 3.41Å; D358-K361 PolarHBondContact O-N 3.17Å; V359-K361 VanDerWaalsContact C-N 3.35Å; V359-K361 PolarHBondContact O-N 3.36Å; K361-I364 PolarHBondContact O-N 3.09Å; K361-Q365 WeakPolarHBondContact O-CG 3.29Å; K361-Q365 PolarHBondContact O-N 3.35Å
362	K	70.2	Confident	68.9	Low	133 Å²	133	93.7 Å²	93.7	58%	0.578	45%	0.449	S	S	*	.	H	α-helix	trans	-63.4	-43.9	174.3	-170.9	179	176.9	-176.4	0	111.5	D358 V359 K360 I364 Q365 E366	D358-K362 VanDerWaalsContact O-CB 3.31Å; D358-K362 WeakPolarHBondContact O-CB 3.25Å; D358-K362 PolarHBondContact O-N 3.34Å; V359-K362 WeakPolarHBondContact O-CB 3.47Å; V359-K362 PolarHBondContact O-N 3.13Å; K360-K362 VanDerWaalsContact C-N 3.31Å; K360-K362 PolarHBondContact O-N 2.77Å; K362-I364 PolarHBondContact O-N 2.71Å; K362-Q365 PolarHBondContact O-N 2.97Å; K362-E366 VanDerWaalsContact O-CB 3.24Å; K362-E366 WeakPolarHBondContact O-CB 3.47Å; K362-E366 PolarHBondContact O-N 3.27Å
363	Y	65.3	Low	67.8	Low	70 Å²	70	91.7 Å²	91.7	28%	0.275	44%	0.439	S	S	.	.	H	α-helix	trans	-60.6	-45.4	174.5	-67.9	-45.5	0	0	0	112.1	V359 K360 Q365 E366 H367 D466	V359-Y363 HydrophobicContact CG1-CD2 3.85Å; V359-Y363 HydrophobicContact CG1-CE2 3.24Å; V359-Y363 WeakPolarHBondContact O-CD2 3.31Å; V359-Y363 PolarHBondContact O-N 2.67Å; K360-Y363 PolarHBondContact O-N 3.08Å; Y363-Q365 VanDerWaalsContact C-N 3.27Å; Y363-Q365 PolarHBondContact O-N 3.38Å; Y363-E366 PolarHBondContact O-N 2.92Å; Y363-H367 WeakPolarHBondContact O-CB 3.39Å; Y363-H367 PolarHBondContact O-CD2 3.11Å; Y363-H367 PolarHBondContact O-N 2.91Å; Y363-D466 HydrophobicContact CE1-CB 4.31Å
364	I	62.7	Low	66.9	Low	50 Å²	50	89.5 Å²	89.5	26%	0.256	44%	0.437	S	S	.	.	H	α-helix	trans	-59.1	-39.8	176.5	-67.6	167.9	0	0	0	111.6	K360 K361 K362 G369 F373	K360-I364 WeakPolarHBondContact O-CG1 3.39Å; K360-I364 PolarHBondContact O-N 3.38Å; K361-I364 PolarHBondContact O-N 3.09Å; K362-I364 PolarHBondContact O-N 2.71Å; I364-G369 WeakPolarHBondContact O-CA 3.4Å; I364-G369 PolarHBondContact O-N 2.98Å; I364-F373 HydrophobicContact CG2-CE2 4.08Å
365	Q	65.9	Low	65.9	Low	137 Å²	137	86.6 Å²	86.6	64%	0.64	43%	0.429	S	S	*	.	H	α-helix	trans	-70.6	-43.7	176.2	-74.7	179.3	-27.1	0	0	112.4	K361 K362 Y363 G368	K361-Q365 WeakPolarHBondContact O-CG 3.29Å; K361-Q365 PolarHBondContact O-N 3.35Å; K362-Q365 PolarHBondContact O-N 2.97Å; Y363-Q365 VanDerWaalsContact C-N 3.27Å; Y363-Q365 PolarHBondContact O-N 3.38Å; Q365-G368 PolarHBondContact O-N 3.33Å
366	E	64.6	Low	64.9	Low	93 Å²	93	81.5 Å²	81.5	44%	0.435	41%	0.407	S	S	.	.	H	α-helix	trans	-67.6	-35.5	-177.3	-170.5	174.7	168.2	0	0	112.2	K362 Y363 G368 K437	K362-E366 VanDerWaalsContact O-CB 3.24Å; K362-E366 WeakPolarHBondContact O-CB 3.47Å; K362-E366 PolarHBondContact O-N 3.27Å; Y363-E366 PolarHBondContact O-N 2.92Å; E366-G368 PolarHBondContact O-N 3.26Å; E366-K437 WeakPolarHBondContact OE1-CE 3.49Å; E366-K437 IonicContact OE1-NZ 3.85Å; E366-K437 PolarHBondContact OE1-NZ 2.86Å
367	H	62	Low	64	Low	23 Å²	23	84.7 Å²	84.7	11%	0.106	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	11.1	175.2	-62.1	-54.5	0	0	0	113.7	Y363 G369 L463 V465	Y363-H367 WeakPolarHBondContact O-CB 3.39Å; Y363-H367 PolarHBondContact O-CD2 3.11Å; Y363-H367 PolarHBondContact O-N 2.91Å; H367-G369 PolarHBondContact O-N 3.32Å; H367-L463 HydrophobicContact CB-CD2 4.35Å; H367-V465 PolarHBondContact NE2-O 2.83Å
368	G	57.9	Low	63.2	Low	41 Å²	41	84.9 Å²	84.9	42%	0.423	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	18.2	179.1	0	0	0	0	0	113.8	Q365 E366 L370 L372	Q365-G368 PolarHBondContact O-N 3.33Å; E366-G368 PolarHBondContact O-N 3.26Å; G368-L370 PolarHBondContact O-N 3.19Å; G368-L372 PolarHBondContact O-N 3.2Å
369	G	59.8	Low	62.1	Low	0 Å²	0	84 Å²	84	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-54.6	-47.4	-167.2	0	0	0	0	0	112.6	I364 H367 L371 L372 F373	I364-G369 WeakPolarHBondContact O-CA 3.4Å; I364-G369 PolarHBondContact O-N 2.98Å; H367-G369 PolarHBondContact O-N 3.32Å; G369-L371 PolarHBondContact O-N 3.48Å; G369-L372 CarbonylContact O-C 3.58Å; G369-L372 PolarHBondContact O-N 2.85Å; G369-L372 VanDerWaalsContact O-N 3.15Å; G369-F373 WeakPolarHBondContact O-CB 3.2Å; G369-F373 WeakPolarHBondContact O-CD2 3.33Å; G369-F373 WeakPolarHBondContact O-CG 3.45Å; G369-F373 PolarHBondContact O-N 3.3Å
370	L	54.3	Low	61.1	Low	124 Å²	124	83.6 Å²	83.6	65%	0.649	41%	0.411	S	S	*	.	H	α-helix	trans	-59.5	-45.8	-169.5	-161.2	78.4	0	0	0	113.8	G368 L372 F373 E374	G368-L370 PolarHBondContact O-N 3.19Å; L370-L372 VanDerWaalsContact C-N 3.35Å; L370-F373 PolarHBondContact O-N 2.89Å; L370-E374 PolarHBondContact O-N 3.22Å; L370-E374 VanDerWaalsContact O-N 3.12Å
371	L	52.9	Low	60.4	Low	140 Å²	140	82.7 Å²	82.7	73%	0.733	42%	0.42	S	S	*	.	H	α-helix	trans	-67.2	-39.2	178.4	-81.6	163.1	0	0	0	111.4	G369 K375	G369-L371 PolarHBondContact O-N 3.48Å; L371-K375 WeakPolarHBondContact O-CB 3.35Å; L371-K375 PolarHBondContact O-N 3.27Å; L371-K375 VanDerWaalsContact O-N 3.08Å
372	L	59	Low	59.6	Low	31 Å²	31	85.4 Å²	85.4	16%	0.162	44%	0.439	C	S	.	.	H	α-helix	trans	-70.4	-39.8	178.2	-168.5	115.3	0	0	0	111.7	G368 G369 L370 E374 K375 M376 M444	G368-L372 PolarHBondContact O-N 3.2Å; G369-L372 CarbonylContact O-C 3.58Å; G369-L372 PolarHBondContact O-N 2.85Å; G369-L372 VanDerWaalsContact O-N 3.15Å; L370-L372 VanDerWaalsContact C-N 3.35Å; L372-E374 PolarHBondContact O-N 2.98Å; L372-K375 PolarHBondContact O-N 3.18Å; L372-M376 HydrophobicContact CD2-CG 4.31Å; L372-M376 HydrophobicContact CD2-SD 3.36Å; L372-M376 WeakPolarHBondContact CD2-SD 3.47Å; L372-M376 HydrophobicContact CG-CG 4.19Å; L372-M376 HydrophobicContact CG-SD 3.83Å; L372-M376 WeakPolarHBondContact O-CB 3.06Å; L372-M376 WeakPolarHBondContact O-CG 3.36Å; L372-M376 PolarHBondContact O-N 2.94Å; L372-M444 HydrophobicContact CD1-CE 3.61Å; L372-M444 HydrophobicContact CD2-CE 3.13Å; L372-M444 HydrophobicContact CD2-CG 4.1Å; L372-M444 HydrophobicContact CD2-SD 3.42Å; L372-M444 WeakPolarHBondContact CD2-SD 3.46Å; L372-M444 HydrophobicContact CG-CE 3.93Å
373	F	60.7	Low	59.4	Low	68 Å²	68	81.8 Å²	81.8	30%	0.298	43%	0.434	S	S	.	.	H	α-helix	trans	-56.3	-47.8	173	-84.6	-73.2	0	0	0	111.3	I364 G369 L370 K377 V386 L463	I364-F373 HydrophobicContact CG2-CE2 4.08Å; G369-F373 WeakPolarHBondContact O-CB 3.2Å; G369-F373 WeakPolarHBondContact O-CD2 3.33Å; G369-F373 WeakPolarHBondContact O-CG 3.45Å; G369-F373 PolarHBondContact O-N 3.3Å; L370-F373 PolarHBondContact O-N 2.89Å; F373-K377 WeakPolarHBondContact O-CB 3.47Å; F373-K377 PolarHBondContact O-N 3.29Å; F373-V386 HydrophobicContact CD1-CG2 3.81Å; F373-V386 HydrophobicContact CE1-CB 3.62Å; F373-V386 HydrophobicContact CE1-CG1 3.66Å; F373-V386 HydrophobicContact CE1-CG2 3.19Å; F373-V386 HydrophobicContact CZ-CB 4.21Å; F373-V386 HydrophobicContact CZ-CG1 3.71Å; F373-V386 HydrophobicContact CZ-CG2 3.98Å; F373-L463 HydrophobicContact CE2-CD1 3.9Å; F373-L463 HydrophobicContact CZ-CD1 4.17Å
374	E	61.3	Low	60	Low	136 Å²	136	79.8 Å²	79.8	64%	0.636	43%	0.427	S	S	*	.	H	α-helix	trans	-63.4	-44.9	178.4	-82.1	-175.4	164.9	0	0	111.6	L370 L372 S378	L370-E374 PolarHBondContact O-N 3.22Å; L370-E374 VanDerWaalsContact O-N 3.12Å; L372-E374 PolarHBondContact O-N 2.98Å; E374-S378 WeakPolarHBondContact O-CB 3.34Å; E374-S378 PolarHBondContact O-N 3.4Å; E374-S378 VanDerWaalsContact O-N 3.12Å
375	K	59.7	Low	60.9	Low	110 Å²	110	80.9 Å²	80.9	48%	0.478	43%	0.43	S	S	.	.	H	α-helix	trans	-64.8	-45.7	-179.8	-168.3	62.2	174.7	125.2	0	112	L371 L372 S378 D379	L371-K375 WeakPolarHBondContact O-CB 3.35Å; L371-K375 PolarHBondContact O-N 3.27Å; L371-K375 VanDerWaalsContact O-N 3.08Å; L372-K375 PolarHBondContact O-N 3.18Å; K375-S378 WeakPolarHBondContact O-CB 3.45Å; K375-S378 PolarHBondContact O-N 2.8Å; K375-D379 WeakPolarHBondContact CE-OD2 2.99Å; K375-D379 VanDerWaalsContact NZ-CG 3.34Å; K375-D379 IonicContact NZ-OD1 2.98Å; K375-D379 PolarHBondContact NZ-OD1 2.97Å; K375-D379 VanDerWaalsContact NZ-OD1 3.1Å; K375-D379 IonicContact NZ-OD2 3.89Å; K375-D379 PolarHBondContact NZ-OD2 3.02Å; K375-D379 PolarHBondContact O-N 3.5Å
376	M	59.1	Low	61.7	Low	10 Å²	10	76.9 Å²	76.9	5%	0.049	41%	0.414	C	S	.	.	H	α-helix	trans	-70.3	-38.4	-177.4	-67.2	-172.8	74.7	0	0	112.8	L372 S378 D379 Q380 F384 S448	L372-M376 HydrophobicContact CD2-CG 4.31Å; L372-M376 HydrophobicContact CD2-SD 3.36Å; L372-M376 WeakPolarHBondContact CD2-SD 3.47Å; L372-M376 HydrophobicContact CG-CG 4.19Å; L372-M376 HydrophobicContact CG-SD 3.83Å; L372-M376 WeakPolarHBondContact O-CB 3.06Å; L372-M376 WeakPolarHBondContact O-CG 3.36Å; L372-M376 PolarHBondContact O-N 2.94Å; M376-S378 VanDerWaalsContact C-N 3.26Å; M376-S378 PolarHBondContact O-N 3.28Å; M376-D379 PolarHBondContact O-N 2.99Å; M376-Q380 PolarHBondContact O-N 3.35Å; M376-F384 HydrophobicContact CE-CB 4.43Å; M376-F384 HydrophobicContact CE-CD1 3.51Å; M376-F384 HydrophobicContact CE-CD2 3.31Å; M376-F384 HydrophobicContact CE-CE1 3.35Å; M376-F384 HydrophobicContact CE-CE2 3.15Å; M376-F384 HydrophobicContact CE-CG 3.49Å; M376-F384 VanDerWaalsContact CE-CG 3.49Å; M376-F384 HydrophobicContact CE-CZ 3.16Å; M376-F384 HydrophobicContact SD-CD1 4.24Å; M376-F384 HydrophobicContact SD-CE1 3.74Å; M376-F384 HydrophobicContact SD-CE2 4.38Å; M376-F384 HydrophobicContact SD-CZ 3.82Å; M376-S448 VanDerWaalsContact CE-CB 3.41Å
377	K	55.8	Low	62.8	Low	174 Å²	174	73 Å²	73	76%	0.757	40%	0.396	S	S	*	.	H	α-helix	trans	-66.7	-31.4	175.5	-163	177.4	-176.7	-178.3	0	111.9	F373	F373-K377 WeakPolarHBondContact O-CB 3.47Å; F373-K377 PolarHBondContact O-N 3.29Å
378	S	60.4	Low	64.1	Low	93 Å²	93	74.1 Å²	74.1	65%	0.65	40%	0.404	S	S	*	.	H	α-helix	trans	-69.5	-46	172.5	-179.1	0	0	0	0	112.2	E374 K375 M376	E374-S378 WeakPolarHBondContact O-CB 3.34Å; E374-S378 PolarHBondContact O-N 3.4Å; E374-S378 VanDerWaalsContact O-N 3.12Å; K375-S378 WeakPolarHBondContact O-CB 3.45Å; K375-S378 PolarHBondContact O-N 2.8Å; M376-S378 VanDerWaalsContact C-N 3.26Å; M376-S378 PolarHBondContact O-N 3.28Å
379	D	55.3	Low	65.6	Low	85 Å²	85	75 Å²	75	46%	0.455	40%	0.398	S	S	.	.	H	α-helix	trans	-89.2	-35.7	-167	-66.4	-9.3	0	0	0	114.2	K375 M376	K375-D379 WeakPolarHBondContact CE-OD2 2.99Å; K375-D379 VanDerWaalsContact NZ-CG 3.34Å; K375-D379 IonicContact NZ-OD1 2.98Å; K375-D379 PolarHBondContact NZ-OD1 2.97Å; K375-D379 VanDerWaalsContact NZ-OD1 3.1Å; K375-D379 IonicContact NZ-OD2 3.89Å; K375-D379 PolarHBondContact NZ-OD2 3.02Å; K375-D379 PolarHBondContact O-N 3.5Å; M376-D379 PolarHBondContact O-N 2.99Å
380	Q	54.7	Low	67	Low	47 Å²	47	78 Å²	78	22%	0.22	42%	0.422	C	S	.	.	S	Bend	trans	-105.6	-6	-174.4	-72.6	-158.7	-33.2	0	0	115.1	M376 L382 F384 S448	M376-Q380 PolarHBondContact O-N 3.35Å; Q380-L382 PolarHBondContact O-N 2.99Å; Q380-F384 HydrophobicContact CB-CB 4.45Å; Q380-S448 WeakPolarHBondContact CG-O 3.33Å; Q380-S448 PolarHBondContact NE2-O 2.88Å
381	G	55.7	Low	68.8	Low	44 Å²	44	73.8 Å²	73.8	45%	0.454	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	59.4	-135.7	-175.7	0	0	0	0	0	113	A383	G381-A383 VanDerWaalsContact C-N 3.31Å; G381-A383 PolarHBondContact O-N 3.44Å
382	L	53.6	Low	70.7	Confident	185 Å²	185	67.1 Å²	67.1	97%	0.969	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-78.2	-4.3	-174.9	-76.1	157.8	0	0	0	114.8	Q380	Q380-L382 PolarHBondContact O-N 2.99Å
383	A	66.5	Low	72.3	Confident	56 Å²	56	68.9 Å²	68.9	46%	0.463	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-78.6	-22	-171	0	0	0	0	0	114.4	G381	G381-A383 VanDerWaalsContact C-N 3.31Å; G381-A383 PolarHBondContact O-N 3.44Å
384	F	77.6	Confident	73.8	Confident	29 Å²	29	71.9 Å²	71.9	13%	0.127	39%	0.386	C	S	.	.			trans	-102.5	128.2	179.3	-171.3	-96.1	0	0	0	111.6	M376 Q380 V386 L458 L459 C461	M376-F384 HydrophobicContact CE-CB 4.43Å; M376-F384 HydrophobicContact CE-CD1 3.51Å; M376-F384 HydrophobicContact CE-CD2 3.31Å; M376-F384 HydrophobicContact CE-CE1 3.35Å; M376-F384 HydrophobicContact CE-CE2 3.15Å; M376-F384 HydrophobicContact CE-CG 3.49Å; M376-F384 VanDerWaalsContact CE-CG 3.49Å; M376-F384 HydrophobicContact CE-CZ 3.16Å; M376-F384 HydrophobicContact SD-CD1 4.24Å; M376-F384 HydrophobicContact SD-CE1 3.74Å; M376-F384 HydrophobicContact SD-CE2 4.38Å; M376-F384 HydrophobicContact SD-CZ 3.82Å; Q380-F384 HydrophobicContact CB-CB 4.45Å; F384-V386 HydrophobicContact CD1-CG2 4.32Å; F384-V386 HydrophobicContact CE1-CG2 3.85Å; F384-L458 HydrophobicContact CE2-CD2 3.79Å; F384-L458 HydrophobicContact CE2-CG 3.97Å; F384-L459 WeakPolarHBondContact CA-O 3.05Å; F384-C461 HydrophobicContact CZ-CB 4.05Å
385	K	82.5	Confident	75.3	Confident	73 Å²	73	66.1 Å²	66.1	32%	0.317	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.4	-177.8	-174.5	169	177.9	173.6	0	111	F387 D420 L459 G460 C461	K385-F387 HydrophobicContact CB-CD2 4.38Å; K385-F387 HydrophobicContact CB-CE2 3.81Å; K385-F387 HydrophobicContact CB-CZ 4.02Å; K385-F387 HydrophobicContact CD-CD1 4.36Å; K385-F387 HydrophobicContact CD-CE1 3.77Å; K385-F387 HydrophobicContact CD-CE2 4.3Å; K385-F387 HydrophobicContact CD-CZ 3.74Å; K385-F387 HydrophobicContact CG-CD1 4.48Å; K385-F387 HydrophobicContact CG-CD2 4.3Å; K385-F387 HydrophobicContact CG-CE1 4.22Å; K385-F387 HydrophobicContact CG-CE2 4.02Å; K385-F387 HydrophobicContact CG-CZ 3.98Å; K385-F387 VanDerWaalsContact O-CD2 3.3Å; K385-F387 WeakPolarHBondContact O-CD2 3.27Å; K385-F387 WeakPolarHBondContact O-CE2 3.11Å; K385-D420 IonicContact NZ-OD2 2.77Å; K385-D420 PolarHBondContact NZ-OD2 3.28Å; K385-L459 PolarHBondContact N-O 2.9Å; K385-G460 WeakPolarHBondContact O-CA 3.23Å; K385-C461 PolarHBondContact O-N 2.86Å
386	V	83.2	Confident	76.9	Confident	52 Å²	52	60.9 Å²	60.9	32%	0.315	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	118.2	166	179.8	0	0	0	0	109.1	F373 F384 C461	F373-V386 HydrophobicContact CD1-CG2 3.81Å; F373-V386 HydrophobicContact CE1-CB 3.62Å; F373-V386 HydrophobicContact CE1-CG1 3.66Å; F373-V386 HydrophobicContact CE1-CG2 3.19Å; F373-V386 HydrophobicContact CZ-CB 4.21Å; F373-V386 HydrophobicContact CZ-CG1 3.71Å; F373-V386 HydrophobicContact CZ-CG2 3.98Å; F384-V386 HydrophobicContact CD1-CG2 4.32Å; F384-V386 HydrophobicContact CE1-CG2 3.85Å; V386-C461 WeakPolarHBondContact CA-O 3.5Å
387	F	88	Confident	78.4	Confident	12 Å²	12	65.2 Å²	65.2	5%	0.053	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-90.4	142.9	-179.4	-65.7	-92.7	0	0	0	110.1	K385 E391 L392 T418 C461 C462 V471	K385-F387 HydrophobicContact CB-CD2 4.38Å; K385-F387 HydrophobicContact CB-CE2 3.81Å; K385-F387 HydrophobicContact CB-CZ 4.02Å; K385-F387 HydrophobicContact CD-CD1 4.36Å; K385-F387 HydrophobicContact CD-CE1 3.77Å; K385-F387 HydrophobicContact CD-CE2 4.3Å; K385-F387 HydrophobicContact CD-CZ 3.74Å; K385-F387 HydrophobicContact CG-CD1 4.48Å; K385-F387 HydrophobicContact CG-CD2 4.3Å; K385-F387 HydrophobicContact CG-CE1 4.22Å; K385-F387 HydrophobicContact CG-CE2 4.02Å; K385-F387 HydrophobicContact CG-CZ 3.98Å; K385-F387 VanDerWaalsContact O-CD2 3.3Å; K385-F387 WeakPolarHBondContact O-CD2 3.27Å; K385-F387 WeakPolarHBondContact O-CE2 3.11Å; F387-E391 HydrophobicContact CD1-CB 4.34Å; F387-L392 HydrophobicContact CB-CD1 4.21Å; F387-L392 HydrophobicContact CB-CD2 3.77Å; F387-L392 HydrophobicContact CB-CG 3.8Å; F387-L392 HydrophobicContact CD1-CD2 3.91Å; F387-L392 HydrophobicContact CD2-CD2 4.37Å; F387-L392 HydrophobicContact CG-CD2 3.77Å; F387-L392 HydrophobicContact CG-CG 4.37Å; F387-T418 HydrophobicContact CE1-CG2 3.95Å; F387-T418 HydrophobicContact CZ-CG2 4.21Å; F387-C461 PolarHBondContact N-O 3.31Å; F387-C462 HydrophobicContact CB-CB 4.4Å; F387-C462 WeakPolarHBondContact O-CA 3.48Å; F387-C462 WeakPolarHBondContact O-CB 3.45Å; F387-C462 PolarHBondContact O-SG 2.72Å; F387-V471 HydrophobicContact CD2-CB 4.33Å; F387-V471 HydrophobicContact CD2-CG2 3.8Å; F387-V471 HydrophobicContact CE2-CB 4.07Å; F387-V471 HydrophobicContact CE2-CG1 3.96Å; F387-V471 HydrophobicContact CE2-CG2 4.02Å; F387-V471 HydrophobicContact CZ-CG1 4.31Å
388	T	89.1	Confident	80.1	Confident	46 Å²	46	65 Å²	65	28%	0.282	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-76.5	157.5	167.3	64	0	0	0	0	110.1	A390 E391 L392 E464	T388-A390 PolarHBondContact O-N 3.17Å; T388-E391 PolarHBondContact N-OE2 3.1Å; T388-E391 WeakPolarHBondContact O-CB 3.04Å; T388-E391 PolarHBondContact O-N 2.73Å; T388-E391 VanDerWaalsContact O-N 3.11Å; T388-E391 VanDerWaalsContact OG1-CG 3.23Å; T388-E391 WeakPolarHBondContact OG1-CG 3.35Å; T388-E391 PolarHBondContact OG1-N 3.47Å; T388-E391 PolarHBondContact OG1-OE2 3.08Å; T388-L392 PolarHBondContact O-N 3.46Å; T388-E464 WeakPolarHBondContact CG2-OE1 3.39Å
389	Q	87.7	Confident	81.4	Confident	61 Å²	61	62.1 Å²	62.1	29%	0.285	34%	0.338	S	S	.	.	H	α-helix	trans	-55.6	-42.3	175.5	179	-179.2	-6.2	0	0	111.4	E391 L392 E393 E464 V465	Q389-E391 VanDerWaalsContact C-N 3.27Å; Q389-E391 PolarHBondContact O-N 3.29Å; Q389-L392 PolarHBondContact O-N 2.77Å; Q389-E393 HydrophobicContact CG-CG 4.28Å; Q389-E393 WeakPolarHBondContact CG-OE1 3.08Å; Q389-E393 PolarHBondContact NE2-OE1 3.15Å; Q389-E393 WeakPolarHBondContact O-CB 3.41Å; Q389-E393 WeakPolarHBondContact O-CG 3.39Å; Q389-E393 PolarHBondContact O-N 3.25Å; Q389-E464 HydrophobicContact CB-CB 4.36Å; Q389-V465 HydrophobicContact CB-CG1 3.84Å; Q389-V465 VanDerWaalsContact CD-CG1 3.43Å; Q389-V465 HydrophobicContact CG-CG1 3.54Å
390	A	89.7	Confident	83.1	Confident	61 Å²	61	62 Å²	62	50%	0.504	33%	0.334	S	S	.	.	H	α-helix	trans	-62	-33.5	-179.4	0	0	0	0	0	112.7	T388 Q394	T388-A390 PolarHBondContact O-N 3.17Å; A390-Q394 VanDerWaalsContact O-CB 3.32Å; A390-Q394 WeakPolarHBondContact O-CB 3.41Å; A390-Q394 PolarHBondContact O-N 3.35Å
391	E	92.1	Very high	84.7	Confident	37 Å²	37	68.5 Å²	68.5	17%	0.173	36%	0.362	C	S	.	.	H	α-helix	trans	-69.7	-42.1	177.5	-77.7	171.1	151.7	0	0	112.5	F387 T388 Q389 Q394 A395 K419	F387-E391 HydrophobicContact CD1-CB 4.34Å; T388-E391 PolarHBondContact N-OE2 3.1Å; T388-E391 WeakPolarHBondContact O-CB 3.04Å; T388-E391 PolarHBondContact O-N 2.73Å; T388-E391 VanDerWaalsContact O-N 3.11Å; T388-E391 VanDerWaalsContact OG1-CG 3.23Å; T388-E391 WeakPolarHBondContact OG1-CG 3.35Å; T388-E391 PolarHBondContact OG1-N 3.47Å; T388-E391 PolarHBondContact OG1-OE2 3.08Å; Q389-E391 VanDerWaalsContact C-N 3.27Å; Q389-E391 PolarHBondContact O-N 3.29Å; E391-Q394 PolarHBondContact O-N 2.91Å; E391-A395 VanDerWaalsContact O-CB 3.31Å; E391-A395 WeakPolarHBondContact O-CB 3.48Å; E391-A395 PolarHBondContact O-N 3.41Å; E391-K419 IonicContact OE1-NZ 2.77Å; E391-K419 PolarHBondContact OE1-NZ 2.89Å
392	L	92.8	Very high	86.4	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-74	-34.8	177.5	-60.9	-171.9	0	0	0	112	F387 T388 Q389 Q394 A395 T396 F399 I426 C462 M469 V471	F387-L392 HydrophobicContact CB-CD1 4.21Å; F387-L392 HydrophobicContact CB-CD2 3.77Å; F387-L392 HydrophobicContact CB-CG 3.8Å; F387-L392 HydrophobicContact CD1-CD2 3.91Å; F387-L392 HydrophobicContact CD2-CD2 4.37Å; F387-L392 HydrophobicContact CG-CD2 3.77Å; F387-L392 HydrophobicContact CG-CG 4.37Å; T388-L392 PolarHBondContact O-N 3.46Å; Q389-L392 PolarHBondContact O-N 2.77Å; L392-Q394 VanDerWaalsContact C-N 3.33Å; L392-A395 PolarHBondContact O-N 2.88Å; L392-T396 WeakPolarHBondContact O-CB 3.07Å; L392-T396 WeakPolarHBondContact O-CG2 3.03Å; L392-T396 PolarHBondContact O-N 3.41Å; L392-T396 PolarHBondContact O-OG1 3.06Å; L392-F399 HydrophobicContact CB-CZ 4.43Å; L392-I426 HydrophobicContact CD1-CG2 4.07Å; L392-I426 HydrophobicContact CD2-CG1 4.22Å; L392-C462 HydrophobicContact CD1-CB 3.38Å; L392-C462 HydrophobicContact CG-CB 4.31Å; L392-M469 HydrophobicContact CB-CE 4.39Å; L392-M469 HydrophobicContact CD1-CB 3.99Å; L392-M469 HydrophobicContact CD1-CE 3.85Å; L392-M469 HydrophobicContact CD1-SD 4Å; L392-V471 HydrophobicContact CD1-CG2 4.01Å; L392-V471 HydrophobicContact CD2-CG2 3.87Å
393	E	92.2	Very high	88.2	Confident	67 Å²	67	64.2 Å²	64.2	31%	0.313	33%	0.334	S	S	.	.	H	α-helix	trans	-60.3	-44.3	170	-79.2	178.8	-179.3	0	0	111.3	Q389 N397 K398 F399	Q389-E393 HydrophobicContact CG-CG 4.28Å; Q389-E393 WeakPolarHBondContact CG-OE1 3.08Å; Q389-E393 PolarHBondContact NE2-OE1 3.15Å; Q389-E393 WeakPolarHBondContact O-CB 3.41Å; Q389-E393 WeakPolarHBondContact O-CG 3.39Å; Q389-E393 PolarHBondContact O-N 3.25Å; E393-N397 PolarHBondContact O-N 3.5Å; E393-K398 PolarHBondContact O-N 3.02Å; E393-F399 HydrophobicContact CG-CD2 4.24Å; E393-F399 HydrophobicContact CG-CE2 3.56Å; E393-F399 HydrophobicContact CG-CZ 4.36Å
394	Q	93.1	Very high	89.4	Confident	132 Å²	132	64.8 Å²	64.8	62%	0.617	33%	0.328	S	S	*	.	H	α-helix	trans	-64.2	-45.8	175.5	-175.1	178.3	10.4	0	0	111.4	A390 E391 L392 T396 N397	A390-Q394 VanDerWaalsContact O-CB 3.32Å; A390-Q394 WeakPolarHBondContact O-CB 3.41Å; A390-Q394 PolarHBondContact O-N 3.35Å; E391-Q394 PolarHBondContact O-N 2.91Å; L392-Q394 VanDerWaalsContact C-N 3.33Å; Q394-T396 VanDerWaalsContact C-N 3.26Å; Q394-T396 PolarHBondContact O-N 3.47Å; Q394-N397 PolarHBondContact O-N 3.42Å
395	A	93.4	Very high	89.9	Confident	15 Å²	15	67.4 Å²	67.4	12%	0.124	34%	0.343	C	S	.	.	H	α-helix	trans	-62.8	-31.5	-177	0	0	0	0	0	113.4	E391 L392 G416 I417	E391-A395 VanDerWaalsContact O-CB 3.31Å; E391-A395 WeakPolarHBondContact O-CB 3.48Å; E391-A395 PolarHBondContact O-N 3.41Å; L392-A395 PolarHBondContact O-N 2.88Å; A395-G416 CarbonylContact O-C 3.54Å; A395-G416 WeakPolarHBondContact O-CA 3.35Å; A395-I417 VanDerWaalsContact CA-O 3.25Å; A395-I417 WeakPolarHBondContact CA-O 3.45Å; A395-I417 VanDerWaalsContact CB-O 3.23Å; A395-I417 WeakPolarHBondContact CB-O 3.46Å; A395-I417 PolarHBondContact O-N 3.24Å
396	T	92.3	Very high	90	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	9.3	-176.1	58.5	0	0	0	0	113.8	L392 Q394 K398 F399 E400 I426	L392-T396 WeakPolarHBondContact O-CB 3.07Å; L392-T396 WeakPolarHBondContact O-CG2 3.03Å; L392-T396 PolarHBondContact O-N 3.41Å; L392-T396 PolarHBondContact O-OG1 3.06Å; Q394-T396 VanDerWaalsContact C-N 3.26Å; Q394-T396 PolarHBondContact O-N 3.47Å; T396-K398 VanDerWaalsContact C-N 3.32Å; T396-K398 PolarHBondContact O-N 3.48Å; T396-F399 HydrophobicContact CG2-CD1 4.16Å; T396-F399 HydrophobicContact CG2-CE1 4.21Å; T396-F399 PolarHBondContact O-N 3.31Å; T396-F399 WeakPolarHBondContact OG1-CD1 3.37Å; T396-F399 PolarHBondContact OG1-N 3.23Å; T396-E400 PolarHBondContact O-N 3.2Å; T396-E400 VanDerWaalsContact O-N 3.12Å; T396-I426 HydrophobicContact CG2-CB 4.47Å; T396-I426 HydrophobicContact CG2-CD1 3.58Å; T396-I426 HydrophobicContact CG2-CG1 4.14Å
397	N	91.4	Very high	89.8	Confident	101 Å²	101	70.5 Å²	70.5	54%	0.54	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	49.5	-171.7	-164.5	27.6	0	0	0	112.9	E393 Q394 E400	E393-N397 PolarHBondContact O-N 3.5Å; Q394-N397 PolarHBondContact O-N 3.42Å; N397-E400 HydrophobicContact CB-CB 4.29Å; N397-E400 PolarHBondContact ND2-OE2 2.92Å
398	K	90.4	Very high	88.8	Confident	170 Å²	170	71.9 Å²	71.9	74%	0.739	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	44	-174.6	-54.8	177.8	178.3	177.4	0	113.3	E393 T396 E400	E393-K398 PolarHBondContact O-N 3.02Å; T396-K398 VanDerWaalsContact C-N 3.32Å; T396-K398 PolarHBondContact O-N 3.48Å; K398-E400 VanDerWaalsContact C-N 3.29Å; K398-E400 PolarHBondContact O-N 3Å
399	F	88.9	Confident	87.7	Confident	32 Å²	32	72.9 Å²	72.9	14%	0.14	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	46.3	-177.8	-54.6	-77.8	0	0	0	112	L392 E393 T396 K401 Y414 K428 M469	L392-F399 HydrophobicContact CB-CZ 4.43Å; E393-F399 HydrophobicContact CG-CD2 4.24Å; E393-F399 HydrophobicContact CG-CE2 3.56Å; E393-F399 HydrophobicContact CG-CZ 4.36Å; T396-F399 HydrophobicContact CG2-CD1 4.16Å; T396-F399 HydrophobicContact CG2-CE1 4.21Å; T396-F399 PolarHBondContact O-N 3.31Å; T396-F399 WeakPolarHBondContact OG1-CD1 3.37Å; T396-F399 PolarHBondContact OG1-N 3.23Å; F399-K401 PolarHBondContact O-N 3.38Å; F399-Y414 HydrophobicContact CB-CD1 4.23Å; F399-Y414 HydrophobicContact CB-CE1 3.8Å; F399-Y414 HydrophobicContact CD1-CD1 4.38Å; F399-Y414 AromaticContact CD1-CD2 3.92Å; F399-Y414 HydrophobicContact CD1-CD2 3.92Å; F399-Y414 HydrophobicContact CD1-CE1 4.48Å; F399-Y414 HydrophobicContact CD1-CE2 4.04Å; F399-Y414 HydrophobicContact CD1-CG 4.11Å; F399-Y414 WeakPolarHBondContact O-CE1 3.47Å; F399-K428 HydrophobicContact CE1-CD 4.48Å; F399-M469 HydrophobicContact CE1-SD 3.61Å; F399-M469 HydrophobicContact CZ-CE 3.97Å; F399-M469 HydrophobicContact CZ-SD 3.42Å; F399-M469 WeakPolarHBondContact CZ-SD 3.31Å
400	E	90.1	Very high	86.7	Confident	82 Å²	82	72.4 Å²	72.4	38%	0.383	40%	0.398	S	S	.	.			trans	-60.9	137.6	-179.1	-164.6	-177.2	175.4	0	0	110.6	T396 N397 K398 S402 Q403	T396-E400 PolarHBondContact O-N 3.2Å; T396-E400 VanDerWaalsContact O-N 3.12Å; N397-E400 HydrophobicContact CB-CB 4.29Å; N397-E400 PolarHBondContact ND2-OE2 2.92Å; K398-E400 VanDerWaalsContact C-N 3.29Å; K398-E400 PolarHBondContact O-N 3Å; E400-S402 WeakPolarHBondContact CG-OG 3.05Å; E400-S402 PolarHBondContact O-N 3.47Å; E400-S402 VanDerWaalsContact O-N 3.12Å; E400-S402 PolarHBondContact OE1-OG 3.33Å; E400-S402 PolarHBondContact OE2-OG 3.4Å; E400-Q403 HydrophobicContact CB-CG 4.37Å; E400-Q403 WeakPolarHBondContact O-CB 3.39Å; E400-Q403 PolarHBondContact O-N 2.95Å
401	K	89.2	Confident	86.2	Confident	184 Å²	184	69.9 Å²	69.9	80%	0.8	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-58.9	-27.8	-178.1	-68.5	-174.9	178.3	-177.7	0	113.4	F399 Q403 I404	F399-K401 PolarHBondContact O-N 3.38Å; K401-Q403 PolarHBondContact O-N 3.18Å; K401-I404 HydrophobicContact CB-CD1 4.23Å; K401-I404 HydrophobicContact CG-CD1 4.36Å; K401-I404 WeakPolarHBondContact O-CB 3.06Å; K401-I404 WeakPolarHBondContact O-CG1 3.36Å; K401-I404 PolarHBondContact O-N 3.38Å
402	S	90.8	Very high	86	Confident	79 Å²	79	69.7 Å²	69.7	55%	0.552	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-66.5	-19	176.6	58.1	0	0	0	0	113.3	E400	E400-S402 WeakPolarHBondContact CG-OG 3.05Å; E400-S402 PolarHBondContact O-N 3.47Å; E400-S402 VanDerWaalsContact O-N 3.12Å; E400-S402 PolarHBondContact OE1-OG 3.33Å; E400-S402 PolarHBondContact OE2-OG 3.4Å
403	Q	90.5	Very high	86	Confident	60 Å²	60	71.6 Å²	71.6	28%	0.28	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-92.3	1.1	178.3	-59.4	-58.2	-31.5	0	0	113.2	E400 K401 L405 Y414 K415	E400-Q403 HydrophobicContact CB-CG 4.37Å; E400-Q403 WeakPolarHBondContact O-CB 3.39Å; E400-Q403 PolarHBondContact O-N 2.95Å; K401-Q403 PolarHBondContact O-N 3.18Å; Q403-L405 PolarHBondContact O-N 3Å; Q403-Y414 HydrophobicContact CB-CD1 4.5Å; Q403-Y414 CarbonylContact O-C 3.43Å; Q403-Y414 WeakPolarHBondContact O-CA 3.24Å; Q403-K415 WeakPolarHBondContact CB-O 3.05Å; Q403-K415 PolarHBondContact O-N 2.79Å
404	I	92.2	Very high	86.1	Confident	67 Å²	67	69.8 Å²	69.8	34%	0.344	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	119.7	-179.9	-64.9	171.9	0	0	0	109.4	K401 T412 Y414	K401-I404 HydrophobicContact CB-CD1 4.23Å; K401-I404 HydrophobicContact CG-CD1 4.36Å; K401-I404 WeakPolarHBondContact O-CB 3.06Å; K401-I404 WeakPolarHBondContact O-CG1 3.36Å; K401-I404 PolarHBondContact O-N 3.38Å; I404-T412 HydrophobicContact CD1-CG2 4.13Å; I404-T412 HydrophobicContact CG1-CG2 3.92Å; I404-T412 HydrophobicContact CG2-CG2 3.9Å; I404-Y414 HydrophobicContact CD1-CE1 4.2Å; I404-Y414 HydrophobicContact CG1-CD1 3.89Å; I404-Y414 HydrophobicContact CG1-CE1 3.54Å
405	L	88.2	Confident	86.2	Confident	84 Å²	84	66.8 Å²	66.8	44%	0.44	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-33.6	172.8	-64.2	176.1	0	0	0	111.5	Q403 V413 K415 A425 F474	Q403-L405 PolarHBondContact O-N 3Å; L405-V413 HydrophobicContact CB-CB 4.49Å; L405-V413 HydrophobicContact CB-CG1 4.38Å; L405-V413 HydrophobicContact CD1-CG1 4.26Å; L405-V413 PolarHBondContact N-O 2.87Å; L405-K415 HydrophobicContact CD1-CB 3.99Å; L405-K415 HydrophobicContact CD2-CB 3.93Å; L405-K415 HydrophobicContact CD2-CD 4.49Å; L405-K415 HydrophobicContact CG-CB 3.91Å; L405-A425 HydrophobicContact CD1-CB 4.07Å; L405-F474 HydrophobicContact CD1-CD2 3.7Å; L405-F474 HydrophobicContact CD1-CE2 3.58Å; L405-F474 HydrophobicContact CD2-CE2 3.72Å; L405-F474 HydrophobicContact CD2-CZ 4.47Å; L405-F474 HydrophobicContact CG-CE2 4.31Å
406	G	83.9	Confident	86.3	Confident	32 Å²	32	66.1 Å²	66.1	33%	0.33	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	156.3	179.6	0	0	0	0	0	111.9	V413	G406-V413 PolarHBondContact N-O 2.8Å; G406-V413 PolarHBondContact O-N 3.12Å
407	H	79.7	Confident	86.5	Confident	158 Å²	158	70.5 Å²	70.5	73%	0.731	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136	137	175.3	125.8	75.2	0	0	0	108.7	T412	H407-T412 HydrophobicContact CB-CG2 4.45Å
408	G	67.5	Low	86.4	Confident	42 Å²	42	66.2 Å²	66.2	43%	0.433	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	-168.7	178.7	0	0	0	0	0	112.7	H410 G411	G408-H410 PolarHBondContact O-N 3.12Å; G408-G411 PolarHBondContact N-O 3.42Å; G408-G411 PolarHBondContact O-N 3.04Å; G408-G411 VanDerWaalsContact O-N 3.16Å
409	G	66.4	Low	86.3	Confident	66 Å²	66	64 Å²	64	68%	0.68	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-33.4	-179.7	0	0	0	0	0	113.7	G411	G409-G411 VanDerWaalsContact C-N 3.31Å; G409-G411 PolarHBondContact O-N 2.85Å
410	H	66.1	Low	86.1	Confident	51 Å²	51	67.1 Å²	67.1	24%	0.236	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-1.9	-179.8	-53.6	124.8	0	0	0	114.2	G408 C429 D542	G408-H410 PolarHBondContact O-N 3.12Å; H410-C429 WeakPolarHBondContact O-CA 3.14Å; H410-D542 IonicContact CE1-OD2 2.78Å; H410-D542 IonicContact ND1-OD1 2.77Å; H410-D542 IonicContact ND1-OD2 2.79Å; H410-D542 PolarHBondContact ND1-OD2 2.77Å
411	G	78.9	Confident	86	Confident	9 Å²	9	69.8 Å²	69.8	9%	0.093	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	129.5	-160.3	178	0	0	0	0	0	114.6	G408 G409 K428	G408-G411 PolarHBondContact N-O 3.42Å; G408-G411 PolarHBondContact O-N 3.04Å; G408-G411 VanDerWaalsContact O-N 3.16Å; G409-G411 VanDerWaalsContact C-N 3.31Å; G409-G411 PolarHBondContact O-N 2.85Å; G411-K428 CarbonylContact C-O 3.49Å; G411-K428 VanDerWaalsContact CA-O 3.27Å; G411-K428 WeakPolarHBondContact CA-O 3.42Å
412	T	88.4	Confident	86.1	Confident	32 Å²	32	65.3 Å²	65.3	20%	0.196	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.5	179.1	-50.7	0	0	0	0	109.9	I404 H407 Y414 K428	I404-T412 HydrophobicContact CD1-CG2 4.13Å; I404-T412 HydrophobicContact CG1-CG2 3.92Å; I404-T412 HydrophobicContact CG2-CG2 3.9Å; H407-T412 HydrophobicContact CB-CG2 4.45Å; T412-Y414 HydrophobicContact CG2-CD2 4.14Å; T412-Y414 HydrophobicContact CG2-CE1 4.2Å; T412-Y414 HydrophobicContact CG2-CE2 3.46Å; T412-Y414 VanDerWaalsContact CG2-CE2 3.46Å; T412-Y414 VanDerWaalsContact CG2-CZ 3.48Å; T412-K428 PolarHBondContact N-O 3.49Å; T412-K428 PolarHBondContact O-N 3.46Å
413	V	92	Very high	86.3	Confident	41 Å²	41	64 Å²	64	25%	0.248	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.3	177.6	-172.1	0	0	0	0	109	L405 G406 A425 I426 K427	L405-V413 HydrophobicContact CB-CB 4.49Å; L405-V413 HydrophobicContact CB-CG1 4.38Å; L405-V413 HydrophobicContact CD1-CG1 4.26Å; L405-V413 PolarHBondContact N-O 2.87Å; G406-V413 PolarHBondContact N-O 2.8Å; G406-V413 PolarHBondContact O-N 3.12Å; V413-A425 HydrophobicContact CG1-CB 3.95Å; V413-I426 CarbonylContact C-O 3.59Å; V413-I426 WeakPolarHBondContact CA-O 3.05Å; V413-K427 HydrophobicContact CG2-CB 4.17Å; V413-K427 HydrophobicContact CG2-CG 4.15Å
414	Y	95.1	Very high	86.5	Confident	28 Å²	28	61.2 Å²	61.2	11%	0.11	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.2	179.4	-62.2	-96.8	0	0	0	110.3	F399 Q403 I404 T412 A425 I426 K428	F399-Y414 HydrophobicContact CB-CD1 4.23Å; F399-Y414 HydrophobicContact CB-CE1 3.8Å; F399-Y414 HydrophobicContact CD1-CD1 4.38Å; F399-Y414 AromaticContact CD1-CD2 3.92Å; F399-Y414 HydrophobicContact CD1-CD2 3.92Å; F399-Y414 HydrophobicContact CD1-CE1 4.48Å; F399-Y414 HydrophobicContact CD1-CE2 4.04Å; F399-Y414 HydrophobicContact CD1-CG 4.11Å; F399-Y414 WeakPolarHBondContact O-CE1 3.47Å; Q403-Y414 HydrophobicContact CB-CD1 4.5Å; Q403-Y414 CarbonylContact O-C 3.43Å; Q403-Y414 WeakPolarHBondContact O-CA 3.24Å; I404-Y414 HydrophobicContact CD1-CE1 4.2Å; I404-Y414 HydrophobicContact CG1-CD1 3.89Å; I404-Y414 HydrophobicContact CG1-CE1 3.54Å; T412-Y414 HydrophobicContact CG2-CD2 4.14Å; T412-Y414 HydrophobicContact CG2-CE1 4.2Å; T412-Y414 HydrophobicContact CG2-CE2 3.46Å; T412-Y414 VanDerWaalsContact CG2-CE2 3.46Å; T412-Y414 VanDerWaalsContact CG2-CZ 3.48Å; Y414-A425 CarbonylContact O-C 3.57Å; Y414-A425 WeakPolarHBondContact O-CA 3.02Å; Y414-I426 PolarHBondContact N-O 3.35Å; Y414-I426 WeakPolarHBondContact O-CD1 2.98Å; Y414-I426 PolarHBondContact O-N 3.37Å; Y414-K428 HydrophobicContact CD2-CB 4.47Å; Y414-K428 HydrophobicContact CE2-CB 4.16Å
415	K	95.5	Very high	86.6	Confident	70 Å²	70	58.5 Å²	58.5	30%	0.304	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	138.9	162.2	-168.9	176.5	-179.1	177.2	0	108.8	Q403 L405 T423 F474	Q403-K415 WeakPolarHBondContact CB-O 3.05Å; Q403-K415 PolarHBondContact O-N 2.79Å; L405-K415 HydrophobicContact CD1-CB 3.99Å; L405-K415 HydrophobicContact CD2-CB 3.93Å; L405-K415 HydrophobicContact CD2-CD 4.49Å; L405-K415 HydrophobicContact CG-CB 3.91Å; K415-T423 HydrophobicContact CD-CG2 4.44Å; K415-T423 HydrophobicContact CG-CG2 4.07Å; K415-F474 HydrophobicContact CD-CE2 4.12Å; K415-F474 HydrophobicContact CD-CZ 4.06Å; K415-F474 HydrophobicContact CG-CD2 4.28Å; K415-F474 HydrophobicContact CG-CE2 4.2Å
416	G	95.4	Very high	86.9	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.01	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	161.3	171.4	0	0	0	0	0	112.3	A395 T423 V424	A395-G416 CarbonylContact O-C 3.54Å; A395-G416 WeakPolarHBondContact O-CA 3.35Å; G416-T423 CarbonylContact O-C 3.52Å; G416-T423 WeakPolarHBondContact O-CA 3.4Å; G416-V424 PolarHBondContact N-O 3.37Å; G416-V424 WeakPolarHBondContact O-CG2 3.31Å; G416-V424 PolarHBondContact O-N 2.88Å
417	I	95	Very high	87.2	Confident	92 Å²	92	53.6 Å²	53.6	47%	0.472	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.8	175.1	-58	174.4	0	0	0	107.2	A395 I422	A395-I417 VanDerWaalsContact CA-O 3.25Å; A395-I417 WeakPolarHBondContact CA-O 3.45Å; A395-I417 VanDerWaalsContact CB-O 3.23Å; A395-I417 WeakPolarHBondContact CB-O 3.46Å; A395-I417 PolarHBondContact O-N 3.24Å; I417-I422 WeakPolarHBondContact CA-O 3.47Å
418	T	91.1	Very high	87.6	Confident	10 Å²	10	49.4 Å²	49.4	6%	0.061	28%	0.28	C	S	.	.			trans	-68.6	167	179.5	69.8	0	0	0	0	110.9	F387 D420 N421 I422 V424	F387-T418 HydrophobicContact CE1-CG2 3.95Å; F387-T418 HydrophobicContact CZ-CG2 4.21Å; T418-D420 PolarHBondContact O-N 3.27Å; T418-D420 VanDerWaalsContact O-N 3.09Å; T418-D420 PolarHBondContact OG1-N 2.8Å; T418-N421 WeakPolarHBondContact O-CA 3.45Å; T418-N421 PolarHBondContact O-N 2.76Å; T418-I422 PolarHBondContact N-O 2.8Å; T418-I422 WeakPolarHBondContact OG1-CB 3.31Å; T418-I422 PolarHBondContact OG1-N 3.48Å; T418-I422 PolarHBondContact OG1-O 2.8Å; T418-V424 HydrophobicContact CG2-CB 4.46Å; T418-V424 HydrophobicContact CG2-CG1 3.79Å; T418-V424 HydrophobicContact CG2-CG2 3.75Å
419	K	86.9	Confident	88	Confident	125 Å²	125	48.2 Å²	48.2	54%	0.543	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-25.6	173.3	-67.8	177.1	-177.7	161	0	113.2	E391 N421	E391-K419 IonicContact OE1-NZ 2.77Å; E391-K419 PolarHBondContact OE1-NZ 2.89Å; K419-N421 PolarHBondContact O-N 3.33Å
420	D	85.4	Confident	88.2	Confident	97 Å²	97	47 Å²	47	52%	0.519	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	12.5	179.3	-51.4	-49	0	0	0	111.7	K385 T418 I422	K385-D420 IonicContact NZ-OD2 2.77Å; K385-D420 PolarHBondContact NZ-OD2 3.28Å; T418-D420 PolarHBondContact O-N 3.27Å; T418-D420 VanDerWaalsContact O-N 3.09Å; T418-D420 PolarHBondContact OG1-N 2.8Å; D420-I422 HydrophobicContact CB-CD1 4.13Å; D420-I422 HydrophobicContact CB-CG1 4.19Å; D420-I422 PolarHBondContact O-N 3.43Å
421	N	87.8	Confident	88	Confident	137 Å²	137	51.4 Å²	51.4	73%	0.733	27%	0.273	S	S	*	.	S	Bend	trans	58	23.5	-175.2	-73.1	-23.2	0	0	0	114.9	T418 K419	T418-N421 WeakPolarHBondContact O-CA 3.45Å; T418-N421 PolarHBondContact O-N 2.76Å; K419-N421 PolarHBondContact O-N 3.33Å
422	I	90.9	Very high	87	Confident	90 Å²	90	53 Å²	53	46%	0.462	28%	0.279	S	S	.	.			trans	-87.2	125.7	175.8	-55.2	173.1	0	0	0	108.1	I417 T418 D420 V424	I417-I422 WeakPolarHBondContact CA-O 3.47Å; T418-I422 PolarHBondContact N-O 2.8Å; T418-I422 WeakPolarHBondContact OG1-CB 3.31Å; T418-I422 PolarHBondContact OG1-N 3.48Å; T418-I422 PolarHBondContact OG1-O 2.8Å; D420-I422 HydrophobicContact CB-CD1 4.13Å; D420-I422 HydrophobicContact CB-CG1 4.19Å; D420-I422 PolarHBondContact O-N 3.43Å; I422-V424 HydrophobicContact CG2-CG1 4.02Å
423	T	94.3	Very high	85.7	Confident	52 Å²	52	55.2 Å²	55.2	32%	0.319	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	128.3	173.2	-53.1	0	0	0	0	109.3	K415 G416 F474	K415-T423 HydrophobicContact CD-CG2 4.44Å; K415-T423 HydrophobicContact CG-CG2 4.07Å; G416-T423 CarbonylContact O-C 3.52Å; G416-T423 WeakPolarHBondContact O-CA 3.4Å; T423-F474 HydrophobicContact CG2-CB 3.7Å; T423-F474 HydrophobicContact CG2-CD1 3.46Å; T423-F474 VanDerWaalsContact CG2-CD1 3.46Å; T423-F474 HydrophobicContact CG2-CD2 4.45Å; T423-F474 HydrophobicContact CG2-CE1 4.2Å; T423-F474 HydrophobicContact CG2-CG 3.6Å; T423-F474 WeakPolarHBondContact O-CB 3.24Å
424	V	95.2	Very high	84.2	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	157.1	-173.8	-65.9	0	0	0	0	111	G416 T418 I422 I426 L459 V471 Y472	G416-V424 PolarHBondContact N-O 3.37Å; G416-V424 WeakPolarHBondContact O-CG2 3.31Å; G416-V424 PolarHBondContact O-N 2.88Å; T418-V424 HydrophobicContact CG2-CB 4.46Å; T418-V424 HydrophobicContact CG2-CG1 3.79Å; T418-V424 HydrophobicContact CG2-CG2 3.75Å; I422-V424 HydrophobicContact CG2-CG1 4.02Å; V424-I426 HydrophobicContact CG2-CD1 3.64Å; V424-I426 HydrophobicContact CG2-CG1 4.27Å; V424-L459 HydrophobicContact CG1-CD1 3.77Å; V424-V471 HydrophobicContact CB-CG1 3.75Å; V424-V471 HydrophobicContact CG1-CG1 3.97Å; V424-V471 HydrophobicContact CG2-CG1 4Å; V424-Y472 WeakPolarHBondContact CA-O 3.41Å; V424-Y472 WeakPolarHBondContact CB-O 3.42Å
425	A	95.2	Very high	82.6	Confident	11 Å²	11	63 Å²	63	9%	0.091	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	117.4	170.1	0	0	0	0	0	109.4	L405 V413 Y414 Y472	L405-A425 HydrophobicContact CD1-CB 4.07Å; V413-A425 HydrophobicContact CG1-CB 3.95Å; Y414-A425 CarbonylContact O-C 3.57Å; Y414-A425 WeakPolarHBondContact O-CA 3.02Å; A425-Y472 PolarHBondContact N-O 2.87Å; A425-Y472 PolarHBondContact O-N 2.83Å
426	I	94.1	Very high	81	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	106.8	-178.3	-55.1	86.1	0	0	0	108.9	L392 T396 V413 Y414 V424 K428 M469 L470 V471	L392-I426 HydrophobicContact CD1-CG2 4.07Å; L392-I426 HydrophobicContact CD2-CG1 4.22Å; T396-I426 HydrophobicContact CG2-CB 4.47Å; T396-I426 HydrophobicContact CG2-CD1 3.58Å; T396-I426 HydrophobicContact CG2-CG1 4.14Å; V413-I426 CarbonylContact C-O 3.59Å; V413-I426 WeakPolarHBondContact CA-O 3.05Å; Y414-I426 PolarHBondContact N-O 3.35Å; Y414-I426 WeakPolarHBondContact O-CD1 2.98Å; Y414-I426 PolarHBondContact O-N 3.37Å; V424-I426 HydrophobicContact CG2-CD1 3.64Å; V424-I426 HydrophobicContact CG2-CG1 4.27Å; I426-K428 PolarHBondContact O-N 3.19Å; I426-M469 HydrophobicContact CG2-CB 4.03Å; I426-M469 HydrophobicContact CG2-CG 4.42Å; I426-M469 HydrophobicContact CG2-SD 4.07Å; I426-L470 CarbonylContact C-O 3.6Å; I426-L470 WeakPolarHBondContact CA-O 3.47Å; I426-V471 HydrophobicContact CG1-CG2 4.49Å
427	K	90.1	Very high	79.4	Confident	12 Å²	12	64.6 Å²	64.6	5%	0.052	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	110.9	171.8	-175.1	174.9	172.4	-174.7	0	108.6	V413 E443 M469 L470 Y472 D542	V413-K427 HydrophobicContact CG2-CB 4.17Å; V413-K427 HydrophobicContact CG2-CG 4.15Å; K427-E443 IonicContact NZ-OE1 3.2Å; K427-E443 PolarHBondContact NZ-OE1 3.32Å; K427-E443 IonicContact NZ-OE2 3.84Å; K427-E443 PolarHBondContact NZ-OE2 3.5Å; K427-M469 VanDerWaalsContact O-CA 3.31Å; K427-M469 WeakPolarHBondContact O-CA 3.26Å; K427-L470 HydrophobicContact CB-CB 4.48Å; K427-L470 PolarHBondContact N-O 3.05Å; K427-L470 PolarHBondContact O-N 3.22Å; K427-Y472 HydrophobicContact CB-CD2 4.45Å; K427-Y472 HydrophobicContact CB-CE2 3.82Å; K427-Y472 HydrophobicContact CD-CE2 4.26Å; K427-D542 IonicContact NZ-OD1 3.95Å; K427-D542 PolarHBondContact NZ-OD1 3.45Å
428	K	87.8	Confident	77.8	Confident	70 Å²	70	67.4 Å²	67.4	30%	0.304	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	111.5	170.5	-176.5	177.3	-177.4	176.1	0	108.4	F399 G411 T412 Y414 I426 M469	F399-K428 HydrophobicContact CE1-CD 4.48Å; G411-K428 CarbonylContact C-O 3.49Å; G411-K428 VanDerWaalsContact CA-O 3.27Å; G411-K428 WeakPolarHBondContact CA-O 3.42Å; T412-K428 PolarHBondContact N-O 3.49Å; T412-K428 PolarHBondContact O-N 3.46Å; Y414-K428 HydrophobicContact CD2-CB 4.47Å; Y414-K428 HydrophobicContact CE2-CB 4.16Å; I426-K428 PolarHBondContact O-N 3.19Å; K428-M469 HydrophobicContact CB-CG 4.08Å; K428-M469 HydrophobicContact CB-SD 4.39Å; K428-M469 HydrophobicContact CD-SD 4.47Å; K428-M469 HydrophobicContact CG-CG 4.07Å; K428-M469 HydrophobicContact CG-SD 4.33Å
429	C	75.5	Confident	76.5	Confident	18 Å²	18	68.3 Å²	68.3	12%	0.122	34%	0.342	C	S	.	.			trans	-63	160	-178.6	-59	0	0	0	0	111.5	H410 V467	H410-C429 WeakPolarHBondContact O-CA 3.14Å; C429-V467 HydrophobicContact CB-CG1 3.73Å; C429-V467 WeakPolarHBondContact O-CG1 3.15Å
430	A	71.1	Confident	75.6	Confident	41 Å²	41	62.7 Å²	62.7	34%	0.339	32%	0.318	S	S	.	.			trans	-71.2	162.1	170.3	0	0	0	0	0	110.9	I432 V467	A430-I432 PolarHBondContact O-N 2.78Å; A430-V467 WeakPolarHBondContact O-CG1 3.31Å
431	L	63.1	Low	74.7	Confident	143 Å²	143	59.4 Å²	59.4	75%	0.749	31%	0.307	S	S	*	.	S	Bend	trans	-42.2	131.6	-179.9	-84.1	156.4	0	0	0	112.1	D433	L431-D433 PolarHBondContact O-N 3.47Å; L431-D433 VanDerWaalsContact O-N 3.08Å
432	I	56.7	Low	73.7	Confident	41 Å²	41	58.3 Å²	58.3	21%	0.21	30%	0.295	C	S	.	.			trans	-75	101.2	-172.3	-55.2	-170.9	0	0	0	111.3	A430 K437 D466 V467 P468	A430-I432 PolarHBondContact O-N 2.78Å; I432-K437 HydrophobicContact CD1-CG 4.05Å; I432-K437 HydrophobicContact CG2-CB 3.84Å; I432-K437 HydrophobicContact CG2-CD 3.4Å; I432-K437 HydrophobicContact CG2-CG 3.38Å; I432-D466 WeakPolarHBondContact CD1-O 3.43Å; I432-V467 HydrophobicContact CG1-CB 4.36Å; I432-V467 HydrophobicContact CG1-CG1 4.07Å; I432-V467 HydrophobicContact CG1-CG2 4.16Å; I432-P468 VanDerWaalsContact CD1-CD 3.5Å
433	D	61.2	Low	73	Confident	79 Å²	79	54.3 Å²	54.3	42%	0.422	28%	0.275	S	S	.	.			trans	-72.8	154	140.3	-174.8	14.7	0	0	0	108.8	L431 R435 H436 K437	L431-D433 PolarHBondContact O-N 3.47Å; L431-D433 VanDerWaalsContact O-N 3.08Å; D433-R435 PolarHBondContact O-N 2.82Å; D433-R435 IonicContact OD2-CZ 2.91Å; D433-R435 IonicContact OD2-NE 2.86Å; D433-R435 IonicContact OD2-NH2 2.97Å; D433-R435 PolarHBondContact OD2-NH2 3.19Å; D433-H436 PolarHBondContact O-N 3.43Å; D433-K437 PolarHBondContact O-N 2.84Å
434	D	61.5	Low	72.1	Confident	110 Å²	110	52 Å²	52	59%	0.588	26%	0.26	S	S	*	.	H	α-helix	trans	-53.7	-22.3	-178.2	-78.8	-30.4	0	0	0	113	K437 K438	D434-K437 WeakPolarHBondContact O-CB 3.3Å; D434-K437 IonicContact OD1-NZ 3.1Å; D434-K438 PolarHBondContact O-N 3.49Å
435	R	61.1	Low	71	Confident	124 Å²	124	55 Å²	55	47%	0.468	28%	0.276	S	S	.	.	H	α-helix	trans	-60.1	-55	170.7	-167.5	-172.9	-30.6	-163	5.1	113.4	D433 K437 K438 E439	D433-R435 PolarHBondContact O-N 2.82Å; D433-R435 IonicContact OD2-CZ 2.91Å; D433-R435 IonicContact OD2-NE 2.86Å; D433-R435 IonicContact OD2-NH2 2.97Å; D433-R435 PolarHBondContact OD2-NH2 3.19Å; R435-K437 PolarHBondContact O-N 3.3Å; R435-K438 PolarHBondContact O-N 2.92Å; R435-K438 VanDerWaalsContact O-N 3.07Å; R435-E439 PolarHBondContact O-N 2.94Å
436	H	61.5	Low	70	Confident	49 Å²	49	54.6 Å²	54.6	23%	0.227	27%	0.272	C	S	.	.	H	α-helix	trans	-67	-28.3	-177.5	-60.5	105.6	0	0	0	111.8	D433 E439 F440	D433-H436 PolarHBondContact O-N 3.43Å; H436-E439 IonicContact CD2-OE2 2.67Å; H436-E439 PolarHBondContact CD2-OE2 2.89Å; H436-E439 PolarHBondContact O-N 2.91Å; H436-F440 WeakPolarHBondContact O-CB 3.45Å; H436-F440 PolarHBondContact O-N 3.4Å
437	K	61.5	Low	69.3	Low	54 Å²	54	54.7 Å²	54.7	24%	0.235	27%	0.273	C	S	.	.	H	α-helix	trans	-58.4	-46.2	170.5	-111.4	160.6	-169.2	168.7	0	111.6	E366 I432 D433 D434 R435 G441	E366-K437 WeakPolarHBondContact OE1-CE 3.49Å; E366-K437 IonicContact OE1-NZ 3.85Å; E366-K437 PolarHBondContact OE1-NZ 2.86Å; I432-K437 HydrophobicContact CD1-CG 4.05Å; I432-K437 HydrophobicContact CG2-CB 3.84Å; I432-K437 HydrophobicContact CG2-CD 3.4Å; I432-K437 HydrophobicContact CG2-CG 3.38Å; D433-K437 PolarHBondContact O-N 2.84Å; D434-K437 WeakPolarHBondContact O-CB 3.3Å; D434-K437 IonicContact OD1-NZ 3.1Å; R435-K437 PolarHBondContact O-N 3.3Å; K437-G441 PolarHBondContact O-N 2.71Å
438	K	61.3	Low	68.3	Low	151 Å²	151	54.7 Å²	54.7	66%	0.657	27%	0.274	S	S	*	.	H	α-helix	trans	-70.6	-40.4	179.3	-70	179.5	-178.8	178.3	0	111.7	D434 R435 G441 K442	D434-K438 PolarHBondContact O-N 3.49Å; R435-K438 PolarHBondContact O-N 2.92Å; R435-K438 VanDerWaalsContact O-N 3.07Å; K438-G441 PolarHBondContact O-N 3.3Å; K438-K442 WeakPolarHBondContact O-CB 3.13Å; K438-K442 VanDerWaalsContact O-CG 3.27Å; K438-K442 WeakPolarHBondContact O-CG 3.09Å; K438-K442 PolarHBondContact O-N 3.2Å
439	E	64.4	Low	67.5	Low	30 Å²	30	55.6 Å²	55.6	14%	0.14	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-47.2	175.4	-70.4	170.7	176.1	0	0	111.2	R435 H436 G441 K442 E443 Q561	R435-E439 PolarHBondContact O-N 2.94Å; H436-E439 IonicContact CD2-OE2 2.67Å; H436-E439 PolarHBondContact CD2-OE2 2.89Å; H436-E439 PolarHBondContact O-N 2.91Å; E439-G441 PolarHBondContact O-N 3.34Å; E439-K442 PolarHBondContact O-N 3.36Å; E439-E443 WeakPolarHBondContact O-CB 3.4Å; E439-E443 PolarHBondContact O-N 3.34Å; E439-Q561 PolarHBondContact OE1-NE2 2.93Å
440	F	67.1	Low	67.8	Low	7 Å²	7	55.2 Å²	55.2	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-56.8	-48.7	175.6	172	-94	0	0	0	112.4	H436 K442 E443 M444 L463 P468 L470	H436-F440 WeakPolarHBondContact O-CB 3.45Å; H436-F440 PolarHBondContact O-N 3.4Å; F440-K442 VanDerWaalsContact C-N 3.3Å; F440-K442 PolarHBondContact O-N 2.94Å; F440-E443 PolarHBondContact O-N 3.3Å; F440-M444 HydrophobicContact CD1-CE 4.23Å; F440-M444 HydrophobicContact CE1-CE 3.44Å; F440-M444 VanDerWaalsContact CE1-CE 3.44Å; F440-M444 HydrophobicContact CE1-SD 3.84Å; F440-M444 HydrophobicContact CZ-CE 3.92Å; F440-M444 HydrophobicContact CZ-SD 3.64Å; F440-M444 VanDerWaalsContact O-CB 3.25Å; F440-M444 WeakPolarHBondContact O-CB 3.22Å; F440-M444 PolarHBondContact O-N 2.78Å; F440-L463 HydrophobicContact CE1-CD2 3.54Å; F440-L463 HydrophobicContact CZ-CD2 3.54Å; F440-P468 HydrophobicContact CB-CG 4.15Å; F440-P468 HydrophobicContact CD1-CB 4.01Å; F440-P468 HydrophobicContact CD1-CG 3.54Å; F440-P468 HydrophobicContact CD2-CB 3.84Å; F440-P468 HydrophobicContact CD2-CG 3.46Å; F440-P468 VanDerWaalsContact CD2-CG 3.46Å; F440-P468 HydrophobicContact CE1-CB 3.66Å; F440-P468 HydrophobicContact CE1-CG 3.76Å; F440-P468 HydrophobicContact CE2-CB 3.44Å; F440-P468 VanDerWaalsContact CE2-CB 3.44Å; F440-P468 HydrophobicContact CE2-CG 3.66Å; F440-P468 HydrophobicContact CG-CB 4.11Å; F440-P468 HydrophobicContact CG-CG 3.41Å; F440-P468 VanDerWaalsContact CG-CG 3.41Å; F440-P468 HydrophobicContact CZ-CB 3.4Å; F440-P468 HydrophobicContact CZ-CG 3.85Å; F440-L470 HydrophobicContact CD2-CD1 4.27Å; F440-L470 HydrophobicContact CD2-CD2 4.11Å; F440-L470 HydrophobicContact CD2-CG 4Å; F440-L470 HydrophobicContact CE2-CD1 4.26Å; F440-L470 HydrophobicContact CE2-CD2 3.31Å; F440-L470 HydrophobicContact CE2-CG 3.55Å; F440-L470 HydrophobicContact CZ-CD2 3.84Å
441	G	67.4	Low	68.4	Low	28 Å²	28	59 Å²	59	29%	0.289	29%	0.291	S	S	.	.	H	α-helix	trans	-62.1	-38.1	-179.8	0	0	0	0	0	112.7	K437 K438 E439 L445	K437-G441 PolarHBondContact O-N 2.71Å; K438-G441 PolarHBondContact O-N 3.3Å; E439-G441 PolarHBondContact O-N 3.34Å; G441-L445 WeakPolarHBondContact O-CB 3.26Å; G441-L445 PolarHBondContact O-N 2.86Å; G441-L445 VanDerWaalsContact O-N 3.13Å
442	K	67.2	Low	69.8	Low	114 Å²	114	54.1 Å²	54.1	50%	0.496	26%	0.264	S	S	.	.	H	α-helix	trans	-69.4	-51.7	175.8	-72.8	174.9	178.3	-171.5	0	112.1	K438 E439 F440 M444 L445 I446	K438-K442 WeakPolarHBondContact O-CB 3.13Å; K438-K442 VanDerWaalsContact O-CG 3.27Å; K438-K442 WeakPolarHBondContact O-CG 3.09Å; K438-K442 PolarHBondContact O-N 3.2Å; E439-K442 PolarHBondContact O-N 3.36Å; F440-K442 VanDerWaalsContact C-N 3.3Å; F440-K442 PolarHBondContact O-N 2.94Å; K442-M444 VanDerWaalsContact C-N 3.29Å; K442-M444 PolarHBondContact O-N 3.21Å; K442-L445 PolarHBondContact O-N 2.9Å; K442-L445 VanDerWaalsContact O-N 3.14Å; K442-I446 WeakPolarHBondContact O-CB 3.45Å; K442-I446 VanDerWaalsContact O-CG1 3.27Å; K442-I446 WeakPolarHBondContact O-CG1 3.32Å; K442-I446 PolarHBondContact O-N 2.82Å
443	E	76.1	Confident	71.5	Confident	6 Å²	6	58 Å²	58	3%	0.028	28%	0.28	C	S	.	.	H	α-helix	trans	-56.5	-45.2	179.6	178.2	169	-165	0	0	110.6	K427 E439 F440 I446 L447 L470 Y472 F543	K427-E443 IonicContact NZ-OE1 3.2Å; K427-E443 PolarHBondContact NZ-OE1 3.32Å; K427-E443 IonicContact NZ-OE2 3.84Å; K427-E443 PolarHBondContact NZ-OE2 3.5Å; E439-E443 WeakPolarHBondContact O-CB 3.4Å; E439-E443 PolarHBondContact O-N 3.34Å; F440-E443 PolarHBondContact O-N 3.3Å; E443-I446 PolarHBondContact O-N 2.92Å; E443-L447 HydrophobicContact CG-CD1 3.69Å; E443-L447 VanDerWaalsContact O-CB 3.32Å; E443-L447 WeakPolarHBondContact O-CB 3.09Å; E443-L447 WeakPolarHBondContact O-CG 3.36Å; E443-L447 PolarHBondContact O-N 3.47Å; E443-L470 HydrophobicContact CB-CD1 4.41Å; E443-L470 HydrophobicContact CG-CD1 3.78Å; E443-Y472 PolarHBondContact OE1-OH 3.07Å; E443-F543 HydrophobicContact CG-CB 4.04Å; E443-F543 PolarHBondContact OE1-N 2.8Å
444	M	76.2	Confident	73.2	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.015	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-42.8	176.9	-173.5	172.3	53.4	0	0	112.6	L372 F440 K442 S448 L458 C461 L470	L372-M444 HydrophobicContact CD1-CE 3.61Å; L372-M444 HydrophobicContact CD2-CE 3.13Å; L372-M444 HydrophobicContact CD2-CG 4.1Å; L372-M444 HydrophobicContact CD2-SD 3.42Å; L372-M444 WeakPolarHBondContact CD2-SD 3.46Å; L372-M444 HydrophobicContact CG-CE 3.93Å; F440-M444 HydrophobicContact CD1-CE 4.23Å; F440-M444 HydrophobicContact CE1-CE 3.44Å; F440-M444 VanDerWaalsContact CE1-CE 3.44Å; F440-M444 HydrophobicContact CE1-SD 3.84Å; F440-M444 HydrophobicContact CZ-CE 3.92Å; F440-M444 HydrophobicContact CZ-SD 3.64Å; F440-M444 VanDerWaalsContact O-CB 3.25Å; F440-M444 WeakPolarHBondContact O-CB 3.22Å; F440-M444 PolarHBondContact O-N 2.78Å; K442-M444 VanDerWaalsContact C-N 3.29Å; K442-M444 PolarHBondContact O-N 3.21Å; M444-S448 WeakPolarHBondContact O-CB 3.21Å; M444-S448 PolarHBondContact O-N 3.5Å; M444-S448 PolarHBondContact O-OG 3.47Å; M444-L458 HydrophobicContact CG-CD2 4.46Å; M444-C461 HydrophobicContact SD-CB 4.01Å; M444-L470 HydrophobicContact CB-CD2 4.11Å; M444-L470 HydrophobicContact CG-CD2 4.17Å; M444-L470 HydrophobicContact SD-CD2 4.35Å
445	L	71	Confident	74.8	Confident	63 Å²	63	49.3 Å²	49.3	33%	0.33	23%	0.233	S	C	.	.	H	α-helix	trans	-64.3	-45.9	178.1	-177.8	69.6	0	0	0	111.5	G441 K442 S448 L548	G441-L445 WeakPolarHBondContact O-CB 3.26Å; G441-L445 PolarHBondContact O-N 2.86Å; G441-L445 VanDerWaalsContact O-N 3.13Å; K442-L445 PolarHBondContact O-N 2.9Å; K442-L445 VanDerWaalsContact O-N 3.14Å; L445-S448 PolarHBondContact O-OG 2.94Å; L445-L548 HydrophobicContact CD2-CD1 4.45Å
446	I	75.3	Confident	76.3	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-60.4	-56.3	178.6	-71.8	172.5	0	0	0	110.2	K442 E443 S448 Q449 I450 I520 F543 S546 L548	K442-I446 WeakPolarHBondContact O-CB 3.45Å; K442-I446 VanDerWaalsContact O-CG1 3.27Å; K442-I446 WeakPolarHBondContact O-CG1 3.32Å; K442-I446 PolarHBondContact O-N 2.82Å; E443-I446 PolarHBondContact O-N 2.92Å; I446-S448 VanDerWaalsContact C-N 3.27Å; I446-S448 PolarHBondContact O-N 3.31Å; I446-Q449 PolarHBondContact O-N 3.05Å; I446-Q449 VanDerWaalsContact O-N 3.1Å; I446-I450 HydrophobicContact CG2-CD1 3.78Å; I446-I520 HydrophobicContact CG2-CD1 4.02Å; I446-I520 HydrophobicContact CG2-CG1 4.3Å; I446-I520 HydrophobicContact CG2-CG2 3.61Å; I446-F543 HydrophobicContact CG2-CD1 4.16Å; I446-S546 WeakPolarHBondContact CD1-O 3.41Å; I446-L548 HydrophobicContact CD1-CD2 4.34Å; I446-L548 HydrophobicContact CG1-CD2 3.7Å; I446-L548 HydrophobicContact CG1-CG 4.14Å
447	L	77.8	Confident	77.7	Confident	2 Å²	2	45 Å²	45	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-67.8	-25.9	-175.8	-77.3	169	0	0	0	113.6	E443 Q449 I450 L458 Y472 F543	E443-L447 HydrophobicContact CG-CD1 3.69Å; E443-L447 VanDerWaalsContact O-CB 3.32Å; E443-L447 WeakPolarHBondContact O-CB 3.09Å; E443-L447 WeakPolarHBondContact O-CG 3.36Å; E443-L447 PolarHBondContact O-N 3.47Å; L447-Q449 PolarHBondContact O-N 2.98Å; L447-I450 HydrophobicContact CD2-CD1 4.38Å; L447-I450 PolarHBondContact O-N 3.36Å; L447-L458 HydrophobicContact CB-CB 3.88Å; L447-L458 HydrophobicContact CB-CD2 3.83Å; L447-L458 HydrophobicContact CB-CG 4.42Å; L447-Y472 HydrophobicContact CD1-CE1 3.49Å; L447-Y472 VanDerWaalsContact CD1-CE1 3.49Å; L447-F543 HydrophobicContact CD1-CB 4.14Å; L447-F543 HydrophobicContact CD1-CD2 4.32Å; L447-F543 HydrophobicContact CD1-CG 4.43Å; L447-F543 HydrophobicContact CD2-CB 4.38Å; L447-F543 HydrophobicContact CD2-CD1 4.35Å; L447-F543 HydrophobicContact CD2-CD2 3.49Å; L447-F543 VanDerWaalsContact CD2-CD2 3.49Å; L447-F543 HydrophobicContact CD2-CE2 3.75Å; L447-F543 HydrophobicContact CD2-CG 3.82Å; L447-F543 HydrophobicContact CD2-CZ 4.29Å; L447-F543 HydrophobicContact CG-CB 4.12Å; L447-F543 HydrophobicContact CG-CD2 4.14Å; L447-F543 HydrophobicContact CG-CG 4.08Å
448	S	70.6	Confident	78.9	Confident	12 Å²	12	42.5 Å²	42.5	8%	0.084	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.4	174.2	71	0	0	0	0	113.9	M376 Q380 M444 L445 I446	M376-S448 VanDerWaalsContact CE-CB 3.41Å; Q380-S448 WeakPolarHBondContact CG-O 3.33Å; Q380-S448 PolarHBondContact NE2-O 2.88Å; M444-S448 WeakPolarHBondContact O-CB 3.21Å; M444-S448 PolarHBondContact O-N 3.5Å; M444-S448 PolarHBondContact O-OG 3.47Å; L445-S448 PolarHBondContact O-OG 2.94Å; I446-S448 VanDerWaalsContact C-N 3.27Å; I446-S448 PolarHBondContact O-N 3.31Å
449	Q	71	Confident	80.2	Confident	90 Å²	90	37.1 Å²	37.1	42%	0.421	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-6.6	-176	-61.4	174.4	19.9	0	0	112.3	I446 L447	I446-Q449 PolarHBondContact O-N 3.05Å; I446-Q449 VanDerWaalsContact O-N 3.1Å; L447-Q449 PolarHBondContact O-N 2.98Å
450	I	80.4	Confident	81.4	Confident	9 Å²	9	35.7 Å²	35.7	5%	0.046	18%	0.178	C	C	.	.			trans	-100.6	127.1	-176.5	-61.6	159.6	0	0	0	110.4	I446 L447 H452 I455 F511 L512 I520 F543	I446-I450 HydrophobicContact CG2-CD1 3.78Å; L447-I450 HydrophobicContact CD2-CD1 4.38Å; L447-I450 PolarHBondContact O-N 3.36Å; I450-H452 HydrophobicContact CG2-CB 4.5Å; I450-I455 HydrophobicContact CG2-CB 4.05Å; I450-I455 HydrophobicContact CG2-CD1 3.6Å; I450-I455 HydrophobicContact CG2-CG1 4.42Å; I450-I455 HydrophobicContact CG2-CG2 3.76Å; I450-F511 HydrophobicContact CG2-CE1 4Å; I450-L512 HydrophobicContact CD1-CD2 3.52Å; I450-L512 HydrophobicContact CG1-CD2 4.03Å; I450-I520 HydrophobicContact CD1-CD1 3.65Å; I450-I520 HydrophobicContact CG1-CD1 3.67Å; I450-F543 HydrophobicContact CD1-CE1 4.03Å; I450-F543 HydrophobicContact CD1-CZ 4.5Å
451	N	83.4	Confident	82.3	Confident	121 Å²	121	35.4 Å²	35.4	65%	0.647	18%	0.177	S	C	*	.			trans	-138.6	95.8	166	-176.9	34.8	0	0	0	109.2
452	H	92.2	Very high	83.3	Confident	41 Å²	41	34 Å²	34	19%	0.19	16%	0.163	C	C	.	.			trans	-137.3	143.4	-178.4	-173.9	-104	0	0	0	110.5	I450 N454 I455 F511	I450-H452 HydrophobicContact CG2-CB 4.5Å; H452-N454 PolarHBondContact CE1-OD1 2.75Å; H452-N454 PolarHBondContact ND1-N 3.39Å; H452-N454 VanDerWaalsContact ND1-N 3.15Å; H452-N454 PolarHBondContact O-N 2.81Å; H452-N454 VanDerWaalsContact O-N 3.14Å; H452-I455 HydrophobicContact CB-CB 4.2Å; H452-I455 HydrophobicContact CB-CD1 3.84Å; H452-I455 HydrophobicContact CB-CG1 4.03Å; H452-I455 PolarHBondContact O-N 2.8Å; H452-I455 VanDerWaalsContact O-N 3.1Å; H452-I455 VanDerWaalsContact O-O 3.11Å; H452-F511 HydrophobicContact CB-CD1 3.95Å; H452-F511 HydrophobicContact CB-CE1 4.14Å; H452-F511 HydrophobicContact CB-CG 4.22Å; H452-F511 AromaticContact CD2-CD2 3.82Å; H452-F511 AromaticContact CD2-CG 3.83Å; H452-F511 AromaticContact CG-CG 3.96Å
453	K	93.7	Very high	83.8	Confident	123 Å²	123	28.7 Å²	28.7	54%	0.535	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.7	-177.4	67.9	-177.3	-178	173.2	0	113.3	E507 K539	K453-E507 WeakPolarHBondContact CE-OE2 3.49Å; K453-E507 IonicContact NZ-OE2 3.99Å; K453-E507 PolarHBondContact NZ-OE2 3.09Å; K453-K539 WeakPolarHBondContact O-CE 3.38Å
454	N	96.3	Very high	83.7	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.011	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	22.2	-180	-54.7	112.5	0	0	0	114.1	H452 E504 A538 K539 V540	H452-N454 PolarHBondContact CE1-OD1 2.75Å; H452-N454 PolarHBondContact ND1-N 3.39Å; H452-N454 VanDerWaalsContact ND1-N 3.15Å; H452-N454 PolarHBondContact O-N 2.81Å; H452-N454 VanDerWaalsContact O-N 3.14Å; N454-E504 WeakPolarHBondContact CB-O 3.32Å; N454-E504 WeakPolarHBondContact ND2-CB 3.41Å; N454-E504 PolarHBondContact OD1-O 3.14Å; N454-A538 VanDerWaalsContact CA-O 3.29Å; N454-A538 WeakPolarHBondContact CA-O 3.37Å; N454-A538 WeakPolarHBondContact CB-O 3.39Å; N454-A538 PolarHBondContact ND2-O 2.91Å; N454-K539 WeakPolarHBondContact O-CA 3.36Å; N454-V540 PolarHBondContact O-N 3.07Å
455	I	94.6	Very high	83.5	Confident	3 Å²	3	30.9 Å²	30.9	2%	0.015	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-131.6	138.1	175.4	-60.4	175.2	0	0	0	108.1	I450 H452 K457 F511 L512 F543	I450-I455 HydrophobicContact CG2-CB 4.05Å; I450-I455 HydrophobicContact CG2-CD1 3.6Å; I450-I455 HydrophobicContact CG2-CG1 4.42Å; I450-I455 HydrophobicContact CG2-CG2 3.76Å; H452-I455 HydrophobicContact CB-CB 4.2Å; H452-I455 HydrophobicContact CB-CD1 3.84Å; H452-I455 HydrophobicContact CB-CG1 4.03Å; H452-I455 PolarHBondContact O-N 2.8Å; H452-I455 VanDerWaalsContact O-N 3.1Å; H452-I455 VanDerWaalsContact O-O 3.11Å; I455-K457 PolarHBondContact O-N 3.44Å; I455-F511 HydrophobicContact CD1-CD1 3.75Å; I455-F511 HydrophobicContact CD1-CE1 4.42Å; I455-L512 HydrophobicContact CD1-CD1 4.21Å; I455-L512 HydrophobicContact CD1-CD2 3.6Å; I455-L512 HydrophobicContact CD1-CG 3.7Å; I455-F543 HydrophobicContact CG2-CE2 3.76Å; I455-F543 HydrophobicContact CG2-CZ 3.47Å; I455-F543 VanDerWaalsContact CG2-CZ 3.47Å
456	V	93.1	Very high	83.4	Confident	7 Å²	7	31.9 Å²	31.9	4%	0.042	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-65.8	127.8	178.4	178.2	0	0	0	0	110.2	Y472 E473 I475 L531 K539 V540	V456-Y472 HydrophobicContact CG1-CD1 3.85Å; V456-Y472 HydrophobicContact CG1-CG 4.29Å; V456-E473 HydrophobicContact CG1-CG 3.91Å; V456-I475 HydrophobicContact CG2-CG1 4.2Å; V456-L531 HydrophobicContact CG2-CD1 4Å; V456-K539 HydrophobicContact CG2-CB 3.77Å; V456-V540 WeakPolarHBondContact CG2-O 3.4Å; V456-V540 PolarHBondContact N-O 3.26Å
457	K	90.3	Very high	83.2	Confident	75 Å²	75	32.1 Å²	32.1	33%	0.326	16%	0.158	S	C	.	.	P	Polyproline II helix	trans	-79.1	128.5	-179.2	-170.9	174	-179.2	174.7	0	112.1	I455 L459 Y472 E473	I455-K457 PolarHBondContact O-N 3.44Å; K457-L459 HydrophobicContact CD-CD2 4.05Å; K457-L459 HydrophobicContact CG-CD2 4.11Å; K457-Y472 WeakPolarHBondContact O-CA 3.04Å; K457-E473 HydrophobicContact CB-CG 4.13Å; K457-E473 VanDerWaalsContact CB-OE1 3.27Å; K457-E473 WeakPolarHBondContact CB-OE1 3.48Å; K457-E473 PolarHBondContact N-OE1 3.39Å; K457-E473 PolarHBondContact O-N 3.42Å
458	L	88.5	Confident	83.2	Confident	3 Å²	3	32.1 Å²	32.1	2%	0.016	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.2	165.6	-175.1	71.5	0	0	0	109.5	F384 M444 L447 L470 V471 Y472	F384-L458 HydrophobicContact CE2-CD2 3.79Å; F384-L458 HydrophobicContact CE2-CG 3.97Å; M444-L458 HydrophobicContact CG-CD2 4.46Å; L447-L458 HydrophobicContact CB-CB 3.88Å; L447-L458 HydrophobicContact CB-CD2 3.83Å; L447-L458 HydrophobicContact CB-CG 4.42Å; L458-L470 HydrophobicContact CD1-CB 3.95Å; L458-L470 HydrophobicContact CD1-CD2 4.15Å; L458-L470 HydrophobicContact CD1-CG 4.49Å; L458-V471 WeakPolarHBondContact CD1-O 3.28Å; L458-Y472 HydrophobicContact CD1-CD1 4.14Å; L458-Y472 HydrophobicContact CD1-CE1 4Å; L458-Y472 HydrophobicContact CD1-CE2 4.37Å; L458-Y472 HydrophobicContact CD1-CG 4.45Å
459	L	88.6	Confident	84.1	Confident	37 Å²	37	31.7 Å²	31.7	19%	0.194	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-24.1	-178.9	-58.8	179.3	0	0	0	112.7	F384 K385 V424 K457 V471 E473	F384-L459 WeakPolarHBondContact CA-O 3.05Å; K385-L459 PolarHBondContact N-O 2.9Å; V424-L459 HydrophobicContact CG1-CD1 3.77Å; K457-L459 HydrophobicContact CD-CD2 4.05Å; K457-L459 HydrophobicContact CG-CD2 4.11Å; L459-V471 WeakPolarHBondContact CA-O 3.32Å; L459-V471 WeakPolarHBondContact CB-O 3.48Å; L459-V471 PolarHBondContact N-O 2.95Å; L459-E473 HydrophobicContact CD1-CB 4.23Å
460	G	88.4	Confident	84.9	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.9	-178.7	-174.5	0	0	0	0	0	115.1	K385 V471	K385-G460 WeakPolarHBondContact O-CA 3.23Å; G460-V471 PolarHBondContact N-O 3.5Å; G460-V471 VanDerWaalsContact N-O 3.1Å; G460-V471 PolarHBondContact O-N 3.35Å
461	C	87	Confident	85.5	Confident	1 Å²	1	27 Å²	27	1%	0.007	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	165.7	173.2	69.3	0	0	0	0	111.6	F384 K385 V386 F387 M444 M469 L470	F384-C461 HydrophobicContact CZ-CB 4.05Å; K385-C461 PolarHBondContact O-N 2.86Å; V386-C461 WeakPolarHBondContact CA-O 3.5Å; F387-C461 PolarHBondContact N-O 3.31Å; M444-C461 HydrophobicContact SD-CB 4.01Å; C461-M469 CarbonylContact C-O 3.56Å; C461-M469 WeakPolarHBondContact CA-O 3.38Å; C461-M469 WeakPolarHBondContact CB-O 3.27Å; C461-L470 HydrophobicContact CB-CD2 4.01Å
462	C	87	Confident	85.9	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	119	168.1	170.1	0	0	0	0	109.4	F387 L392 P468 M469	F387-C462 HydrophobicContact CB-CB 4.4Å; F387-C462 WeakPolarHBondContact O-CA 3.48Å; F387-C462 WeakPolarHBondContact O-CB 3.45Å; F387-C462 PolarHBondContact O-SG 2.72Å; L392-C462 HydrophobicContact CD1-CB 3.38Å; L392-C462 HydrophobicContact CG-CB 4.31Å; C462-P468 WeakPolarHBondContact O-CA 3.45Å; C462-M469 HydrophobicContact CB-CB 4.31Å; C462-M469 HydrophobicContact CB-CE 4.04Å; C462-M469 PolarHBondContact N-O 2.8Å; C462-M469 PolarHBondContact O-N 2.78Å; C462-M469 VanDerWaalsContact O-N 3.08Å
463	L	78.8	Confident	85.9	Confident	2 Å²	2	22.1 Å²	22.1	1%	0.01	11%	0.105	C	C	.	.			trans	-108.4	1.5	-178.7	-55.1	178.3	0	0	0	112.9	H367 F373 F440 V465 P468	H367-L463 HydrophobicContact CB-CD2 4.35Å; F373-L463 HydrophobicContact CE2-CD1 3.9Å; F373-L463 HydrophobicContact CZ-CD1 4.17Å; F440-L463 HydrophobicContact CE1-CD2 3.54Å; F440-L463 HydrophobicContact CZ-CD2 3.54Å; L463-V465 PolarHBondContact O-N 3.33Å; L463-P468 HydrophobicContact CD2-CB 4.03Å
464	E	73.4	Confident	86	Confident	46 Å²	46	18.3 Å²	18.3	22%	0.215	9%	0.089	C	C	.	.	S	Bend	trans	-77.8	10.8	180	-64.7	-166.9	-176.7	0	0	114.1	K360 T388 Q389	K360-E464 IonicContact NZ-OE2 3.5Å; K360-E464 PolarHBondContact NZ-OE2 2.57Å; T388-E464 WeakPolarHBondContact CG2-OE1 3.39Å; Q389-E464 HydrophobicContact CB-CB 4.36Å
465	V	73.2	Confident	85.9	Confident	8 Å²	8	19 Å²	19	5%	0.048	9%	0.092	C	C	.	.	S	Bend	trans	-126	154.4	-169.6	-77.5	0	0	0	0	110	H367 Q389 L463 V467 M469	H367-V465 PolarHBondContact NE2-O 2.83Å; Q389-V465 HydrophobicContact CB-CG1 3.84Å; Q389-V465 VanDerWaalsContact CD-CG1 3.43Å; Q389-V465 HydrophobicContact CG-CG1 3.54Å; L463-V465 PolarHBondContact O-N 3.33Å; V465-V467 WeakPolarHBondContact CG2-O 3.42Å; V465-V467 PolarHBondContact O-N 2.88Å; V465-M469 HydrophobicContact CB-CE 4.43Å; V465-M469 HydrophobicContact CG1-CE 3.86Å; V465-M469 HydrophobicContact CG2-CE 3.85Å
466	D	67.7	Low	85.7	Confident	85 Å²	85	21.2 Å²	21.2	46%	0.455	11%	0.107	S	C	.	.	S	Bend	trans	-59.2	-32.9	173.2	62.6	-32.3	0	0	0	112.5	Y363 I432	Y363-D466 HydrophobicContact CE1-CB 4.31Å; I432-D466 WeakPolarHBondContact CD1-O 3.43Å
467	V	71.5	Confident	85.5	Confident	8 Å²	8	23.6 Å²	23.6	5%	0.048	12%	0.119	C	C	.	.	S	Bend	trans	-119.8	109.5	173.5	-167.2	0	0	0	0	110.1	C429 A430 I432 V465	C429-V467 HydrophobicContact CB-CG1 3.73Å; C429-V467 WeakPolarHBondContact O-CG1 3.15Å; A430-V467 WeakPolarHBondContact O-CG1 3.31Å; I432-V467 HydrophobicContact CG1-CB 4.36Å; I432-V467 HydrophobicContact CG1-CG1 4.07Å; I432-V467 HydrophobicContact CG1-CG2 4.16Å; V465-V467 WeakPolarHBondContact CG2-O 3.42Å; V465-V467 PolarHBondContact O-N 2.88Å
468	P	78.6	Confident	85.5	Confident	2 Å²	2	21.4 Å²	21.4	1%	0.013	12%	0.119	C	C	.	.			trans	-66.8	154.2	-173.1	32.4	-39	0	0	0	111.5	I432 F440 C462 L463	I432-P468 VanDerWaalsContact CD1-CD 3.5Å; F440-P468 HydrophobicContact CB-CG 4.15Å; F440-P468 HydrophobicContact CD1-CB 4.01Å; F440-P468 HydrophobicContact CD1-CG 3.54Å; F440-P468 HydrophobicContact CD2-CB 3.84Å; F440-P468 HydrophobicContact CD2-CG 3.46Å; F440-P468 VanDerWaalsContact CD2-CG 3.46Å; F440-P468 HydrophobicContact CE1-CB 3.66Å; F440-P468 HydrophobicContact CE1-CG 3.76Å; F440-P468 HydrophobicContact CE2-CB 3.44Å; F440-P468 VanDerWaalsContact CE2-CB 3.44Å; F440-P468 HydrophobicContact CE2-CG 3.66Å; F440-P468 HydrophobicContact CG-CB 4.11Å; F440-P468 HydrophobicContact CG-CG 3.41Å; F440-P468 VanDerWaalsContact CG-CG 3.41Å; F440-P468 HydrophobicContact CZ-CB 3.4Å; F440-P468 HydrophobicContact CZ-CG 3.85Å; C462-P468 WeakPolarHBondContact O-CA 3.45Å; L463-P468 HydrophobicContact CD2-CB 4.03Å
469	M	88.3	Confident	85.7	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.1	-177	-63.1	178.6	-86.1	0	0	110.6	L392 F399 I426 K427 K428 C461 C462 V465	L392-M469 HydrophobicContact CB-CE 4.39Å; L392-M469 HydrophobicContact CD1-CB 3.99Å; L392-M469 HydrophobicContact CD1-CE 3.85Å; L392-M469 HydrophobicContact CD1-SD 4Å; F399-M469 HydrophobicContact CE1-SD 3.61Å; F399-M469 HydrophobicContact CZ-CE 3.97Å; F399-M469 HydrophobicContact CZ-SD 3.42Å; F399-M469 WeakPolarHBondContact CZ-SD 3.31Å; I426-M469 HydrophobicContact CG2-CB 4.03Å; I426-M469 HydrophobicContact CG2-CG 4.42Å; I426-M469 HydrophobicContact CG2-SD 4.07Å; K427-M469 VanDerWaalsContact O-CA 3.31Å; K427-M469 WeakPolarHBondContact O-CA 3.26Å; K428-M469 HydrophobicContact CB-CG 4.08Å; K428-M469 HydrophobicContact CB-SD 4.39Å; K428-M469 HydrophobicContact CD-SD 4.47Å; K428-M469 HydrophobicContact CG-CG 4.07Å; K428-M469 HydrophobicContact CG-SD 4.33Å; C461-M469 CarbonylContact C-O 3.56Å; C461-M469 WeakPolarHBondContact CA-O 3.38Å; C461-M469 WeakPolarHBondContact CB-O 3.27Å; C462-M469 HydrophobicContact CB-CB 4.31Å; C462-M469 HydrophobicContact CB-CE 4.04Å; C462-M469 PolarHBondContact N-O 2.8Å; C462-M469 PolarHBondContact O-N 2.78Å; C462-M469 VanDerWaalsContact O-N 3.08Å; V465-M469 HydrophobicContact CB-CE 4.43Å; V465-M469 HydrophobicContact CG1-CE 3.86Å; V465-M469 HydrophobicContact CG2-CE 3.85Å
470	L	88.3	Confident	85.9	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	138.6	173.5	-64.2	178.1	0	0	0	109.8	I426 K427 F440 E443 M444 L458 C461 Y472	I426-L470 CarbonylContact C-O 3.6Å; I426-L470 WeakPolarHBondContact CA-O 3.47Å; K427-L470 HydrophobicContact CB-CB 4.48Å; K427-L470 PolarHBondContact N-O 3.05Å; K427-L470 PolarHBondContact O-N 3.22Å; F440-L470 HydrophobicContact CD2-CD1 4.27Å; F440-L470 HydrophobicContact CD2-CD2 4.11Å; F440-L470 HydrophobicContact CD2-CG 4Å; F440-L470 HydrophobicContact CE2-CD1 4.26Å; F440-L470 HydrophobicContact CE2-CD2 3.31Å; F440-L470 HydrophobicContact CE2-CG 3.55Å; F440-L470 HydrophobicContact CZ-CD2 3.84Å; E443-L470 HydrophobicContact CB-CD1 4.41Å; E443-L470 HydrophobicContact CG-CD1 3.78Å; M444-L470 HydrophobicContact CB-CD2 4.11Å; M444-L470 HydrophobicContact CG-CD2 4.17Å; M444-L470 HydrophobicContact SD-CD2 4.35Å; L458-L470 HydrophobicContact CD1-CB 3.95Å; L458-L470 HydrophobicContact CD1-CD2 4.15Å; L458-L470 HydrophobicContact CD1-CG 4.49Å; C461-L470 HydrophobicContact CB-CD2 4.01Å; L470-Y472 HydrophobicContact CB-CD2 4.34Å; L470-Y472 HydrophobicContact CB-CE2 3.47Å; L470-Y472 VanDerWaalsContact CB-CE2 3.47Å; L470-Y472 HydrophobicContact CD1-CE2 4.49Å; L470-Y472 WeakPolarHBondContact CD1-OH 3.08Å
471	V	91.9	Very high	86.1	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.3	-176.2	-174.4	0	0	0	0	108.5	F387 L392 V424 I426 L458 L459 G460	F387-V471 HydrophobicContact CD2-CB 4.33Å; F387-V471 HydrophobicContact CD2-CG2 3.8Å; F387-V471 HydrophobicContact CE2-CB 4.07Å; F387-V471 HydrophobicContact CE2-CG1 3.96Å; F387-V471 HydrophobicContact CE2-CG2 4.02Å; F387-V471 HydrophobicContact CZ-CG1 4.31Å; L392-V471 HydrophobicContact CD1-CG2 4.01Å; L392-V471 HydrophobicContact CD2-CG2 3.87Å; V424-V471 HydrophobicContact CB-CG1 3.75Å; V424-V471 HydrophobicContact CG1-CG1 3.97Å; V424-V471 HydrophobicContact CG2-CG1 4Å; I426-V471 HydrophobicContact CG1-CG2 4.49Å; L458-V471 WeakPolarHBondContact CD1-O 3.28Å; L459-V471 WeakPolarHBondContact CA-O 3.32Å; L459-V471 WeakPolarHBondContact CB-O 3.48Å; L459-V471 PolarHBondContact N-O 2.95Å; G460-V471 PolarHBondContact N-O 3.5Å; G460-V471 VanDerWaalsContact N-O 3.1Å; G460-V471 PolarHBondContact O-N 3.35Å
472	Y	92.1	Very high	86.2	Confident	18 Å²	18	27.4 Å²	27.4	7%	0.071	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	163.9	-179.6	-57	-99.6	0	0	0	111	V424 A425 K427 E443 L447 V456 K457 L458 L470	V424-Y472 WeakPolarHBondContact CA-O 3.41Å; V424-Y472 WeakPolarHBondContact CB-O 3.42Å; A425-Y472 PolarHBondContact N-O 2.87Å; A425-Y472 PolarHBondContact O-N 2.83Å; K427-Y472 HydrophobicContact CB-CD2 4.45Å; K427-Y472 HydrophobicContact CB-CE2 3.82Å; K427-Y472 HydrophobicContact CD-CE2 4.26Å; E443-Y472 PolarHBondContact OE1-OH 3.07Å; L447-Y472 HydrophobicContact CD1-CE1 3.49Å; L447-Y472 VanDerWaalsContact CD1-CE1 3.49Å; V456-Y472 HydrophobicContact CG1-CD1 3.85Å; V456-Y472 HydrophobicContact CG1-CG 4.29Å; K457-Y472 WeakPolarHBondContact O-CA 3.04Å; L458-Y472 HydrophobicContact CD1-CD1 4.14Å; L458-Y472 HydrophobicContact CD1-CE1 4Å; L458-Y472 HydrophobicContact CD1-CE2 4.37Å; L458-Y472 HydrophobicContact CD1-CG 4.45Å; L470-Y472 HydrophobicContact CB-CD2 4.34Å; L470-Y472 HydrophobicContact CB-CE2 3.47Å; L470-Y472 VanDerWaalsContact CB-CE2 3.47Å; L470-Y472 HydrophobicContact CD1-CE2 4.49Å; L470-Y472 WeakPolarHBondContact CD1-OH 3.08Å
473	E	93	Very high	86.2	Confident	42 Å²	42	29.4 Å²	29.4	20%	0.196	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	140.8	161.2	63.1	176.5	141.1	0	0	110.5	V456 K457 L459 I475 K539	V456-E473 HydrophobicContact CG1-CG 3.91Å; K457-E473 HydrophobicContact CB-CG 4.13Å; K457-E473 VanDerWaalsContact CB-OE1 3.27Å; K457-E473 WeakPolarHBondContact CB-OE1 3.48Å; K457-E473 PolarHBondContact N-OE1 3.39Å; K457-E473 PolarHBondContact O-N 3.42Å; L459-E473 HydrophobicContact CD1-CB 4.23Å; E473-I475 HydrophobicContact CG-CD1 3.78Å; E473-I475 HydrophobicContact CG-CG1 4.41Å; E473-K539 IonicContact OE1-NZ 3.27Å; E473-K539 PolarHBondContact OE1-NZ 3.2Å; E473-K539 IonicContact OE2-NZ 2.72Å; E473-K539 PolarHBondContact OE2-NZ 3.08Å
474	F	94.9	Very high	86.6	Confident	43 Å²	43	30.2 Å²	30.2	19%	0.189	16%	0.164	C	C	.	.			trans	-81.8	126.9	175.4	174.3	-110.8	0	0	0	110.4	L405 K415 T423 P476	L405-F474 HydrophobicContact CD1-CD2 3.7Å; L405-F474 HydrophobicContact CD1-CE2 3.58Å; L405-F474 HydrophobicContact CD2-CE2 3.72Å; L405-F474 HydrophobicContact CD2-CZ 4.47Å; L405-F474 HydrophobicContact CG-CE2 4.31Å; K415-F474 HydrophobicContact CD-CE2 4.12Å; K415-F474 HydrophobicContact CD-CZ 4.06Å; K415-F474 HydrophobicContact CG-CD2 4.28Å; K415-F474 HydrophobicContact CG-CE2 4.2Å; T423-F474 HydrophobicContact CG2-CB 3.7Å; T423-F474 HydrophobicContact CG2-CD1 3.46Å; T423-F474 VanDerWaalsContact CG2-CD1 3.46Å; T423-F474 HydrophobicContact CG2-CD2 4.45Å; T423-F474 HydrophobicContact CG2-CE1 4.2Å; T423-F474 HydrophobicContact CG2-CG 3.6Å; T423-F474 WeakPolarHBondContact O-CB 3.24Å; F474-P476 HydrophobicContact CD1-CB 4.43Å; F474-P476 HydrophobicContact CE1-CB 3.76Å; F474-P476 HydrophobicContact CZ-CB 4.3Å
475	I	94.2	Very high	87.3	Confident	17 Å²	17	29.7 Å²	29.7	9%	0.087	16%	0.161	C	C	.	.			trans	-108.6	111.9	-179.8	-56.3	-55.6	0	0	0	109.1	V456 E473 L531 L532 D533 K539	V456-I475 HydrophobicContact CG2-CG1 4.2Å; E473-I475 HydrophobicContact CG-CD1 3.78Å; E473-I475 HydrophobicContact CG-CG1 4.41Å; I475-L531 HydrophobicContact CB-CB 4.02Å; I475-L531 HydrophobicContact CB-CD1 3.97Å; I475-L531 HydrophobicContact CG1-CB 4.37Å; I475-L531 HydrophobicContact CG1-CD1 4.04Å; I475-L531 HydrophobicContact CG2-CB 3.5Å; I475-L531 VanDerWaalsContact CG2-CB 3.5Å; I475-L531 HydrophobicContact CG2-CD1 4.4Å; I475-L532 WeakPolarHBondContact CG2-O 3.35Å; I475-D533 HydrophobicContact CD1-CB 4.43Å; I475-D533 HydrophobicContact CG2-CB 4.4Å; I475-K539 HydrophobicContact CD1-CD 3.8Å
476	P	90.5	Very high	87.5	Confident	50 Å²	50	30.3 Å²	30.3	33%	0.325	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-26.6	-161	28.5	-35	0	0	0	116.4	F474 G478 E534	F474-P476 HydrophobicContact CD1-CB 4.43Å; F474-P476 HydrophobicContact CE1-CB 3.76Å; F474-P476 HydrophobicContact CZ-CB 4.3Å; P476-G478 VanDerWaalsContact C-N 3.29Å; P476-G478 PolarHBondContact O-N 3.09Å; P476-E534 HydrophobicContact CG-CB 4.48Å; P476-E534 HydrophobicContact CG-CG 3.59Å
477	N	89.2	Confident	87.4	Confident	56 Å²	56	36.6 Å²	36.6	30%	0.299	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	23.3	-168.8	-67.1	-34.4	0	0	0	113.7	L532 D533 Y536	N477-L532 WeakPolarHBondContact CA-O 3.32Å; N477-L532 HydrophobicContact CB-CB 3.87Å; N477-L532 VanDerWaalsContact CB-O 3.3Å; N477-L532 WeakPolarHBondContact CB-O 3.49Å; N477-L532 PolarHBondContact N-O 2.92Å; N477-D533 PolarHBondContact ND2-O 2.04Å; N477-Y536 HydrophobicContact CB-CE1 4.31Å
478	G	90.1	Very high	86.4	Confident	30 Å²	30	41.8 Å²	41.8	31%	0.309	22%	0.22	S	C	.	.			trans	70.1	-153.9	174.8	0	0	0	0	0	113.6	P476 L531 L532	P476-G478 VanDerWaalsContact C-N 3.29Å; P476-G478 PolarHBondContact O-N 3.09Å; G478-L531 WeakPolarHBondContact O-CA 3.49Å; G478-L532 PolarHBondContact O-N 2.6Å
479	T	92.6	Very high	85.3	Confident	22 Å²	22	47.7 Å²	47.7	14%	0.135	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-106.4	159.4	-174.8	73.3	0	0	0	0	112.4	F481 D482 L483 S528 I530 L531	T479-F481 PolarHBondContact O-N 3.3Å; T479-F481 WeakPolarHBondContact OG1-CB 3.39Å; T479-F481 PolarHBondContact OG1-N 2.84Å; T479-D482 PolarHBondContact N-OD2 3.43Å; T479-D482 PolarHBondContact O-N 2.03Å; T479-D482 PolarHBondContact OG1-N 2.97Å; T479-D482 PolarHBondContact OG1-OD2 2.83Å; T479-L483 PolarHBondContact O-N 2.82Å; T479-L483 VanDerWaalsContact O-N 3.14Å; T479-S528 VanDerWaalsContact CG2-O 3.23Å; T479-S528 WeakPolarHBondContact CG2-O 3.46Å; T479-I530 CarbonylContact C-O 3.58Å; T479-I530 WeakPolarHBondContact CA-O 3.3Å; T479-L531 HydrophobicContact CG2-CD2 3.69Å
480	L	93.4	Very high	83.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-29.1	169.4	176.4	58	0	0	0	111.7	L483 I484 L498 I501 T527 I530 V589 I593	L480-L483 HydrophobicContact CD1-CB 4.27Å; L480-L483 HydrophobicContact CD1-CD2 3.94Å; L480-L483 VanDerWaalsContact O-CB 3.28Å; L480-L483 WeakPolarHBondContact O-CB 3.33Å; L480-L483 PolarHBondContact O-N 2.03Å; L480-I484 HydrophobicContact CD1-CD1 3.82Å; L480-I484 HydrophobicContact CD1-CG1 4.01Å; L480-I484 HydrophobicContact CG-CD1 3.83Å; L480-I484 HydrophobicContact CG-CG1 4.46Å; L480-I484 WeakPolarHBondContact O-CG1 3.23Å; L480-I484 PolarHBondContact O-N 3.21Å; L480-L498 HydrophobicContact CD1-CD2 4.08Å; L480-I501 HydrophobicContact CD1-CG2 4.01Å; L480-I501 HydrophobicContact CD2-CG2 4Å; L480-I501 HydrophobicContact CG-CG2 4.43Å; L480-T527 WeakPolarHBondContact CB-O 3.29Å; L480-T527 HydrophobicContact CD2-CG2 4.04Å; L480-T527 HydrophobicContact CG-CG2 4.05Å; L480-T527 PolarHBondContact N-O 2.89Å; L480-I530 HydrophobicContact CB-CB 4Å; L480-I530 HydrophobicContact CB-CG2 4.07Å; L480-I530 HydrophobicContact CD2-CB 4.28Å; L480-I530 HydrophobicContact CD2-CD1 3.9Å; L480-I530 HydrophobicContact CD2-CG2 4.13Å; L480-I530 PolarHBondContact N-O 3.44Å; L480-V589 HydrophobicContact CD2-CG1 4.29Å; L480-I593 HydrophobicContact CD2-CD1 4.25Å
481	F	92.5	Very high	81.7	Confident	56 Å²	56	58.8 Å²	58.8	25%	0.246	31%	0.305	C	S	.	.	H	α-helix	trans	-61.3	-47.4	173.1	-179.3	-84.2	0	0	0	111.3	T479 L483 I484 H485 T527 M598	T479-F481 PolarHBondContact O-N 3.3Å; T479-F481 WeakPolarHBondContact OG1-CB 3.39Å; T479-F481 PolarHBondContact OG1-N 2.84Å; F481-L483 PolarHBondContact O-N 3.35Å; F481-I484 PolarHBondContact O-N 2.82Å; F481-H485 AromaticContact CD2-CD2 3.52Å; F481-H485 HydrophobicContact CE1-CB 4.12Å; F481-H485 AromaticContact CE2-CD2 3.43Å; F481-H485 VanDerWaalsContact CE2-CD2 3.43Å; F481-H485 WeakPolarHBondContact CE2-CD2 3.4Å; F481-H485 HydrophobicContact CZ-CB 4.12Å; F481-H485 AromaticContact CZ-CD2 3.89Å; F481-H485 WeakPolarHBondContact O-CB 3.4Å; F481-H485 PolarHBondContact O-N 3.37Å; F481-T527 WeakPolarHBondContact CD2-OG1 3.42Å; F481-T527 PolarHBondContact N-O 2.9Å; F481-M598 HydrophobicContact CE2-CE 3.75Å; F481-M598 HydrophobicContact CE2-SD 3.57Å; F481-M598 VanDerWaalsContact CE2-SD 3.57Å; F481-M598 HydrophobicContact CZ-CE 3.65Å; F481-M598 HydrophobicContact CZ-SD 3.59Å; F481-M598 VanDerWaalsContact CZ-SD 3.59Å
482	D	89.2	Confident	80.3	Confident	88 Å²	88	65.5 Å²	65.5	47%	0.471	34%	0.336	S	S	.	.	H	α-helix	trans	-63.5	-30.9	176.8	-59.3	-51.7	0	0	0	111.5	T479 G486	T479-D482 PolarHBondContact N-OD2 3.43Å; T479-D482 PolarHBondContact O-N 2.03Å; T479-D482 PolarHBondContact OG1-N 2.97Å; T479-D482 PolarHBondContact OG1-OD2 2.83Å; D482-G486 WeakPolarHBondContact O-CA 3.39Å; D482-G486 PolarHBondContact O-N 2.85Å
483	L	87.1	Confident	79.4	Confident	42 Å²	42	67.1 Å²	67.1	22%	0.22	35%	0.345	C	S	.	.	H	α-helix	trans	-67.8	-39.9	177.4	-160.2	73.3	0	0	0	112.6	T479 L480 F481 I493 L498 I501 L532	T479-L483 PolarHBondContact O-N 2.82Å; T479-L483 VanDerWaalsContact O-N 3.14Å; L480-L483 HydrophobicContact CD1-CB 4.27Å; L480-L483 HydrophobicContact CD1-CD2 3.94Å; L480-L483 VanDerWaalsContact O-CB 3.28Å; L480-L483 WeakPolarHBondContact O-CB 3.33Å; L480-L483 PolarHBondContact O-N 2.03Å; F481-L483 PolarHBondContact O-N 3.35Å; L483-I493 HydrophobicContact CD1-CD1 3.17Å; L483-I493 HydrophobicContact CD1-CG1 4.42Å; L483-I493 HydrophobicContact CD2-CD1 4.03Å; L483-I493 HydrophobicContact CG-CD1 3.29Å; L483-L498 HydrophobicContact CD2-CD2 3.69Å; L483-L498 HydrophobicContact CG-CD2 4.43Å; L483-I501 HydrophobicContact CD2-CD1 3.59Å; L483-L532 HydrophobicContact CB-CD1 4.33Å; L483-L532 HydrophobicContact CD1-CD1 4.09Å; L483-L532 HydrophobicContact CD2-CD1 3.89Å; L483-L532 HydrophobicContact CG-CD1 4.33Å
484	I	87.9	Confident	78.9	Confident	19 Å²	19	68.6 Å²	68.6	10%	0.097	36%	0.359	C	S	.	.	H	α-helix	trans	-86	-43.4	-177.9	-60.6	163.8	0	0	0	111.4	L480 F481 L498 T527 E592 I593	L480-I484 HydrophobicContact CD1-CD1 3.82Å; L480-I484 HydrophobicContact CD1-CG1 4.01Å; L480-I484 HydrophobicContact CG-CD1 3.83Å; L480-I484 HydrophobicContact CG-CG1 4.46Å; L480-I484 WeakPolarHBondContact O-CG1 3.23Å; L480-I484 PolarHBondContact O-N 3.21Å; F481-I484 PolarHBondContact O-N 2.82Å; I484-L498 HydrophobicContact CG1-CD2 4.49Å; I484-T527 HydrophobicContact CD1-CG2 3.89Å; I484-E592 HydrophobicContact CD1-CB 4.46Å; I484-I593 HydrophobicContact CD1-CD1 4.25Å; I484-I593 HydrophobicContact CD1-CG1 3.52Å; I484-I593 HydrophobicContact CG1-CG1 4.36Å
485	H	86.7	Confident	78.6	Confident	36 Å²	36	67 Å²	67	17%	0.167	35%	0.352	C	S	.	.	H	α-helix	trans	-110.7	-8.2	-168.5	-56.7	-59.6	0	0	0	114.2	F481 E592 Q597 M598	F481-H485 AromaticContact CD2-CD2 3.52Å; F481-H485 HydrophobicContact CE1-CB 4.12Å; F481-H485 AromaticContact CE2-CD2 3.43Å; F481-H485 VanDerWaalsContact CE2-CD2 3.43Å; F481-H485 WeakPolarHBondContact CE2-CD2 3.4Å; F481-H485 HydrophobicContact CZ-CB 4.12Å; F481-H485 AromaticContact CZ-CD2 3.89Å; F481-H485 WeakPolarHBondContact O-CB 3.4Å; F481-H485 PolarHBondContact O-N 3.37Å; H485-E592 IonicContact CD2-OE1 3.6Å; H485-E592 IonicContact CE1-OE1 3.14Å; H485-E592 IonicContact NE2-OE1 3.46Å; H485-E592 PolarHBondContact NE2-OE1 3.48Å; H485-Q597 PolarHBondContact CE1-O 2.81Å; H485-M598 HydrophobicContact CB-SD 4.42Å
486	G	78.4	Confident	78.2	Confident	21 Å²	21	68.9 Å²	68.9	22%	0.216	37%	0.367	C	S	.	.	S	Bend	trans	-64.4	158.8	-174.7	0	0	0	0	0	114.3	D482 N488	D482-G486 WeakPolarHBondContact O-CA 3.39Å; D482-G486 PolarHBondContact O-N 2.85Å; G486-N488 PolarHBondContact O-N 3.07Å; G486-N488 VanDerWaalsContact O-N 3.1Å
487	K	64.4	Low	78.1	Confident	216 Å²	216	68.2 Å²	68.2	94%	0.939	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.9	-177.7	-65.6	-176.4	179.9	179.3	0	113.8	R489	K487-R489 VanDerWaalsContact C-N 3.3Å; K487-R489 PolarHBondContact O-N 3.37Å
488	N	51.8	Low	78.2	Confident	118 Å²	118	66.5 Å²	66.5	63%	0.631	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	39.6	-176.8	-110.6	6	0	0	0	113.1	G486 T490 L491	G486-N488 PolarHBondContact O-N 3.07Å; G486-N488 VanDerWaalsContact O-N 3.1Å; N488-T490 PolarHBondContact O-N 2.92Å; N488-L491 PolarHBondContact O-N 2.68Å; N488-L491 VanDerWaalsContact O-N 3.11Å
489	R	54.3	Low	78.3	Confident	126 Å²	126	65.1 Å²	65.1	48%	0.475	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-6.7	170.5	-76.5	-167.8	175.1	-164.4	-3.2	114.1	K487 L491 G596	K487-R489 VanDerWaalsContact C-N 3.3Å; K487-R489 PolarHBondContact O-N 3.37Å; R489-L491 PolarHBondContact O-N 2.85Å; R489-G596 PolarHBondContact NH2-O 3.08Å
490	T	48.9	Very low	78.3	Confident	120 Å²	120	66.9 Å²	66.9	74%	0.736	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.1	172.3	52.2	0	0	0	0	113.3	N488 H492	N488-T490 PolarHBondContact O-N 2.92Å; T490-H492 PolarHBondContact O-N 2.78Å
491	L	51.8	Low	78.3	Confident	114 Å²	114	67 Å²	67	60%	0.597	34%	0.344	S	S	*	.	S	Bend	trans	-76.1	100.3	164.7	-86	131.3	0	0	0	107.8	N488 R489 I493	N488-L491 PolarHBondContact O-N 2.68Å; N488-L491 VanDerWaalsContact O-N 3.11Å; R489-L491 PolarHBondContact O-N 2.85Å; L491-I493 HydrophobicContact CB-CG1 4.41Å; L491-I493 PolarHBondContact O-N 3.04Å
492	H	63.5	Low	78.5	Confident	141 Å²	141	64.5 Å²	64.5	65%	0.653	33%	0.333	S	S	*	.			trans	-62.6	98.6	166.3	-108.2	-97.5	0	0	0	108.2	T490 P494	T490-H492 PolarHBondContact O-N 2.78Å; H492-P494 WeakPolarHBondContact O-CD 3.41Å
493	I	73.2	Confident	78.9	Confident	52 Å²	52	60.3 Å²	60.3	27%	0.267	31%	0.311	S	S	.	.			trans	-85.2	121.2	178.2	-62.3	168.1	0	0	0	107.6	L483 L491 F495 L498	L483-I493 HydrophobicContact CD1-CD1 3.17Å; L483-I493 HydrophobicContact CD1-CG1 4.42Å; L483-I493 HydrophobicContact CD2-CD1 4.03Å; L483-I493 HydrophobicContact CG-CD1 3.29Å; L491-I493 HydrophobicContact CB-CG1 4.41Å; L491-I493 PolarHBondContact O-N 3.04Å; I493-F495 PolarHBondContact O-N 3.14Å; I493-L498 HydrophobicContact CG2-CD2 4.18Å; I493-L498 HydrophobicContact CG2-CG 4.1Å
494	P	83	Confident	79.4	Confident	74 Å²	74	59.3 Å²	59.3	48%	0.481	31%	0.305	S	S	.	.			trans	-59.6	134.4	176.6	-22.3	33.2	0	0	0	110.3	H492 S496 S497 L498	H492-P494 WeakPolarHBondContact O-CD 3.41Å; P494-S496 PolarHBondContact O-N 3.07Å; P494-S496 VanDerWaalsContact O-N 3.16Å; P494-S497 WeakPolarHBondContact O-CA 3.33Å; P494-S497 VanDerWaalsContact O-CB 3.27Å; P494-S497 WeakPolarHBondContact O-CB 3.36Å; P494-S497 PolarHBondContact O-N 3.13Å; P494-L498 PolarHBondContact O-N 3.21Å
495	F	87.3	Confident	79.8	Confident	9 Å²	9	58.4 Å²	58.4	4%	0.039	30%	0.301	C	S	.	.	H	α-helix	trans	-56.6	-33.9	178.5	-178.5	-108.7	0	0	0	112.1	I493 S497 L498 L499 I593 L594 I632 E636 L640 L641 L644	I493-F495 PolarHBondContact O-N 3.14Å; F495-S497 PolarHBondContact O-N 3.36Å; F495-L498 HydrophobicContact CD2-CD1 4.42Å; F495-L498 WeakPolarHBondContact O-CB 3.25Å; F495-L498 PolarHBondContact O-N 3.45Å; F495-L499 HydrophobicContact CD1-CD1 3.83Å; F495-L499 HydrophobicContact CD1-CG 4.02Å; F495-L499 HydrophobicContact CE1-CD1 3.57Å; F495-L499 HydrophobicContact CE1-CD2 4.01Å; F495-L499 HydrophobicContact CE1-CG 3.71Å; F495-L499 HydrophobicContact CZ-CD1 4.38Å; F495-L499 HydrophobicContact CZ-CD2 4Å; F495-L499 HydrophobicContact CZ-CG 4.07Å; F495-L499 PolarHBondContact O-N 3.03Å; F495-I593 HydrophobicContact CD2-CG2 4.41Å; F495-I593 HydrophobicContact CE2-CG2 3.75Å; F495-L594 HydrophobicContact CZ-CD2 4.46Å; F495-I632 HydrophobicContact CB-CG2 4.42Å; F495-I632 HydrophobicContact CD1-CG2 4.19Å; F495-I632 HydrophobicContact CD2-CB 4.48Å; F495-I632 HydrophobicContact CD2-CD1 3.5Å; F495-I632 HydrophobicContact CD2-CG1 3.86Å; F495-I632 HydrophobicContact CD2-CG2 3.75Å; F495-I632 HydrophobicContact CE1-CG2 4.34Å; F495-I632 HydrophobicContact CE2-CD1 3.67Å; F495-I632 HydrophobicContact CE2-CG1 4.39Å; F495-I632 HydrophobicContact CE2-CG2 3.94Å; F495-I632 HydrophobicContact CG-CG1 4.45Å; F495-I632 HydrophobicContact CG-CG2 3.87Å; F495-I632 HydrophobicContact CZ-CG2 4.23Å; F495-E636 HydrophobicContact CB-CG 3.89Å; F495-E636 HydrophobicContact CD1-CB 4.4Å; F495-E636 HydrophobicContact CD1-CG 3.59Å; F495-E636 HydrophobicContact CE1-CG 4.4Å; F495-E636 HydrophobicContact CG-CG 3.98Å; F495-L640 HydrophobicContact CD1-CD2 4.29Å; F495-L640 HydrophobicContact CE1-CD2 3.99Å; F495-L640 HydrophobicContact CE1-CG 4.37Å; F495-L641 HydrophobicContact CE1-CD2 3.72Å; F495-L641 HydrophobicContact CE2-CD2 4.48Å; F495-L641 HydrophobicContact CZ-CD2 3.69Å; F495-L644 HydrophobicContact CZ-CD2 3.9Å
496	S	87.4	Confident	80.4	Confident	57 Å²	57	56.7 Å²	56.7	40%	0.399	29%	0.293	S	S	.	.	H	α-helix	trans	-56	-30.5	171.6	62.3	0	0	0	0	114.3	P494 R500	P494-S496 PolarHBondContact O-N 3.07Å; P494-S496 VanDerWaalsContact O-N 3.16Å; S496-R500 PolarHBondContact O-N 2.64Å
497	S	88.2	Confident	81.3	Confident	36 Å²	36	58.5 Å²	58.5	25%	0.252	30%	0.295	S	S	.	.	H	α-helix	trans	-74.9	-40.8	173.6	-58.9	0	0	0	0	111.7	P494 F495 R500 I501	P494-S497 WeakPolarHBondContact O-CA 3.33Å; P494-S497 VanDerWaalsContact O-CB 3.27Å; P494-S497 WeakPolarHBondContact O-CB 3.36Å; P494-S497 PolarHBondContact O-N 3.13Å; F495-S497 PolarHBondContact O-N 3.36Å; S497-R500 WeakPolarHBondContact O-CB 3.25Å; S497-R500 PolarHBondContact O-N 3.13Å; S497-I501 WeakPolarHBondContact O-CG1 3.42Å; S497-I501 PolarHBondContact O-N 2.02Å
498	L	90.4	Very high	82.8	Confident	20 Å²	20	48.2 Å²	48.2	11%	0.105	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-46.8	174	-66.3	175.5	0	0	0	110.8	L480 L483 I484 I493 P494 F495 R500 I501 V502 I593	L480-L498 HydrophobicContact CD1-CD2 4.08Å; L483-L498 HydrophobicContact CD2-CD2 3.69Å; L483-L498 HydrophobicContact CG-CD2 4.43Å; I484-L498 HydrophobicContact CG1-CD2 4.49Å; I493-L498 HydrophobicContact CG2-CD2 4.18Å; I493-L498 HydrophobicContact CG2-CG 4.1Å; P494-L498 PolarHBondContact O-N 3.21Å; F495-L498 HydrophobicContact CD2-CD1 4.42Å; F495-L498 WeakPolarHBondContact O-CB 3.25Å; F495-L498 PolarHBondContact O-N 3.45Å; L498-R500 PolarHBondContact O-N 3.13Å; L498-I501 PolarHBondContact O-N 2.95Å; L498-I501 VanDerWaalsContact O-N 3.11Å; L498-V502 VanDerWaalsContact O-CG2 3.31Å; L498-V502 WeakPolarHBondContact O-CG2 3.05Å; L498-V502 PolarHBondContact O-N 2.91Å; L498-I593 HydrophobicContact CB-CG2 4.07Å; L498-I593 HydrophobicContact CD1-CG2 4.3Å
499	L	91.4	Very high	85	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-57.6	-38.5	174.8	-74.3	179.1	0	0	0	112.6	F495 N503 L640 L644 R673	F495-L499 HydrophobicContact CD1-CD1 3.83Å; F495-L499 HydrophobicContact CD1-CG 4.02Å; F495-L499 HydrophobicContact CE1-CD1 3.57Å; F495-L499 HydrophobicContact CE1-CD2 4.01Å; F495-L499 HydrophobicContact CE1-CG 3.71Å; F495-L499 HydrophobicContact CZ-CD1 4.38Å; F495-L499 HydrophobicContact CZ-CD2 4Å; F495-L499 HydrophobicContact CZ-CG 4.07Å; F495-L499 PolarHBondContact O-N 3.03Å; L499-N503 VanDerWaalsContact O-CB 3.29Å; L499-N503 WeakPolarHBondContact O-CB 3.33Å; L499-N503 PolarHBondContact O-N 3.32Å; L499-L640 HydrophobicContact CD1-CD1 4.12Å; L499-L640 HydrophobicContact CD1-CD2 3.98Å; L499-L640 HydrophobicContact CD1-CG 4.43Å; L499-L644 HydrophobicContact CD2-CD1 4.36Å; L499-L644 HydrophobicContact CD2-CD2 3.66Å; L499-R673 HydrophobicContact CB-CG 3.81Å; L499-R673 HydrophobicContact CD1-CG 4.35Å; L499-R673 WeakPolarHBondContact O-CD 3.28Å
500	R	93.1	Very high	87.1	Confident	58 Å²	58	36.9 Å²	36.9	22%	0.219	20%	0.201	C	C	.	.	H	α-helix	trans	-61.9	-48.6	175	176	175.1	68.3	72.9	3.3	111.7	S496 S497 L498 V502 N503 E504 Y536 R673	S496-R500 PolarHBondContact O-N 2.64Å; S497-R500 WeakPolarHBondContact O-CB 3.25Å; S497-R500 PolarHBondContact O-N 3.13Å; L498-R500 PolarHBondContact O-N 3.13Å; R500-V502 VanDerWaalsContact C-N 3.33Å; R500-V502 PolarHBondContact O-N 3.33Å; R500-N503 PolarHBondContact O-N 3.17Å; R500-E504 WeakPolarHBondContact CD-OE1 3.15Å; R500-E504 HydrophobicContact CG-CG 4.45Å; R500-E504 WeakPolarHBondContact CG-OE1 3.4Å; R500-E504 IonicContact CZ-OE1 2.79Å; R500-E504 IonicContact NH1-OE1 3.77Å; R500-E504 PolarHBondContact NH1-OE1 3.38Å; R500-E504 IonicContact NH1-OE2 3.39Å; R500-E504 PolarHBondContact NH1-OE2 3.02Å; R500-E504 WeakPolarHBondContact O-CB 3.3Å; R500-E504 WeakPolarHBondContact O-CG 3.4Å; R500-E504 PolarHBondContact O-N 2.65Å; R500-Y536 PolarHBondContact NH1-O 3.44Å; R500-Y536 PolarHBondContact NH2-O 2.81Å; R500-R673 VanDerWaalsContact CA-CZ 3.47Å; R500-R673 VanDerWaalsContact CB-NH2 3.26Å
501	I	94.7	Very high	89.3	Confident	3 Å²	3	33.5 Å²	33.5	2%	0.015	18%	0.176	C	C	.	.	H	α-helix	trans	-61.2	-44.2	-179.2	-68.3	164.7	0	0	0	110.4	L480 L483 S497 L498 E504 A505 I530 L532 A538	L480-I501 HydrophobicContact CD1-CG2 4.01Å; L480-I501 HydrophobicContact CD2-CG2 4Å; L480-I501 HydrophobicContact CG-CG2 4.43Å; L483-I501 HydrophobicContact CD2-CD1 3.59Å; S497-I501 WeakPolarHBondContact O-CG1 3.42Å; S497-I501 PolarHBondContact O-N 2.02Å; L498-I501 PolarHBondContact O-N 2.95Å; L498-I501 VanDerWaalsContact O-N 3.11Å; I501-E504 PolarHBondContact O-N 2.77Å; I501-A505 PolarHBondContact O-N 2.96Å; I501-I530 HydrophobicContact CG2-CG2 4.22Å; I501-L532 HydrophobicContact CD1-CD2 3.85Å; I501-L532 HydrophobicContact CG1-CD2 4.04Å; I501-L532 HydrophobicContact CG2-CD2 3.78Å; I501-A538 HydrophobicContact CB-CB 4.37Å; I501-A538 HydrophobicContact CG2-CB 3.71Å; I501-A538 WeakPolarHBondContact O-CB 2.98Å
502	V	95.6	Very high	91.3	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.018	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-46.1	176.8	179	0	0	0	0	111.3	L498 R500 E504 A505 A506 F586 I590 I593 I669	L498-V502 VanDerWaalsContact O-CG2 3.31Å; L498-V502 WeakPolarHBondContact O-CG2 3.05Å; L498-V502 PolarHBondContact O-N 2.91Å; R500-V502 VanDerWaalsContact C-N 3.33Å; R500-V502 PolarHBondContact O-N 3.33Å; V502-E504 VanDerWaalsContact C-N 3.3Å; V502-E504 PolarHBondContact O-N 3.41Å; V502-A505 PolarHBondContact O-N 2.86Å; V502-A506 WeakPolarHBondContact O-CB 3.43Å; V502-A506 PolarHBondContact O-N 2.04Å; V502-F586 HydrophobicContact CG1-CE1 3.77Å; V502-F586 HydrophobicContact CG1-CE2 4.39Å; V502-F586 HydrophobicContact CG1-CZ 3.39Å; V502-F586 WeakPolarHBondContact O-CZ 3.05Å; V502-I590 HydrophobicContact CG1-CG1 4.31Å; V502-I593 HydrophobicContact CB-CD1 4.41Å; V502-I593 HydrophobicContact CG2-CD1 2.92Å; V502-I593 HydrophobicContact CG2-CG1 4.37Å; V502-I669 HydrophobicContact CG1-CD1 3.68Å
503	N	97	Very high	92.7	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-60.2	-42.1	178.3	-170.2	82.6	0	0	0	112.1	L499 R500 A506 E507 A666 I669 S670 R673	L499-N503 VanDerWaalsContact O-CB 3.29Å; L499-N503 WeakPolarHBondContact O-CB 3.33Å; L499-N503 PolarHBondContact O-N 3.32Å; R500-N503 PolarHBondContact O-N 3.17Å; N503-A506 WeakPolarHBondContact O-CB 3.33Å; N503-A506 PolarHBondContact O-N 2.9Å; N503-E507 PolarHBondContact ND2-OE1 3.3Å; N503-E507 WeakPolarHBondContact O-CG 3.41Å; N503-E507 PolarHBondContact O-N 3.15Å; N503-A666 PolarHBondContact OD1-O 3.03Å; N503-A666 VanDerWaalsContact OD1-O 3.09Å; N503-I669 HydrophobicContact CB-CG2 3.71Å; N503-S670 WeakPolarHBondContact OD1-CA 3.42Å; N503-S670 PolarHBondContact OD1-N 3.09Å; N503-R673 PolarHBondContact ND2-NH1 3.45Å
504	E	97.7	Very high	93.6	Very high	21 Å²	21	22.9 Å²	22.9	10%	0.098	13%	0.129	C	C	.	.	H	α-helix	trans	-63.7	-40.8	175.5	-77.9	167.9	-168	0	0	111.8	N454 R500 I501 V502 E507 G508 M537 A538	N454-E504 WeakPolarHBondContact CB-O 3.32Å; N454-E504 WeakPolarHBondContact ND2-CB 3.41Å; N454-E504 PolarHBondContact OD1-O 3.14Å; R500-E504 WeakPolarHBondContact CD-OE1 3.15Å; R500-E504 HydrophobicContact CG-CG 4.45Å; R500-E504 WeakPolarHBondContact CG-OE1 3.4Å; R500-E504 IonicContact CZ-OE1 2.79Å; R500-E504 IonicContact NH1-OE1 3.77Å; R500-E504 PolarHBondContact NH1-OE1 3.38Å; R500-E504 IonicContact NH1-OE2 3.39Å; R500-E504 PolarHBondContact NH1-OE2 3.02Å; R500-E504 WeakPolarHBondContact O-CB 3.3Å; R500-E504 WeakPolarHBondContact O-CG 3.4Å; R500-E504 PolarHBondContact O-N 2.65Å; I501-E504 PolarHBondContact O-N 2.77Å; V502-E504 VanDerWaalsContact C-N 3.3Å; V502-E504 PolarHBondContact O-N 3.41Å; E504-E507 PolarHBondContact O-N 3.34Å; E504-G508 PolarHBondContact O-N 3.43Å; E504-M537 VanDerWaalsContact OE2-CA 3.24Å; E504-M537 WeakPolarHBondContact OE2-CA 3.18Å; E504-A538 HydrophobicContact CB-CB 3.64Å; E504-A538 PolarHBondContact OE2-N 2.99Å
505	A	97.9	Very high	93.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.3	-39.9	173	0	0	0	0	0	112.2	I501 V502 G508 L509 I530 A538 V540 F586	I501-A505 PolarHBondContact O-N 2.96Å; V502-A505 PolarHBondContact O-N 2.86Å; A505-G508 PolarHBondContact O-N 3.37Å; A505-L509 PolarHBondContact O-N 2.98Å; A505-I530 HydrophobicContact CB-CD1 3.79Å; A505-I530 HydrophobicContact CB-CG1 4.15Å; A505-I530 HydrophobicContact CB-CG2 4.17Å; A505-A538 HydrophobicContact CB-CB 4.43Å; A505-V540 HydrophobicContact CB-CG2 4.31Å; A505-F586 HydrophobicContact CB-CE2 4.08Å
506	A	98.1	Very high	93.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.6	-43.2	174.6	0	0	0	0	0	111.6	V502 N503 G508 L509 A510 F586 M662 A666	V502-A506 WeakPolarHBondContact O-CB 3.43Å; V502-A506 PolarHBondContact O-N 2.04Å; N503-A506 WeakPolarHBondContact O-CB 3.33Å; N503-A506 PolarHBondContact O-N 2.9Å; A506-G508 VanDerWaalsContact C-N 3.29Å; A506-G508 PolarHBondContact O-N 2.88Å; A506-L509 PolarHBondContact O-N 2.84Å; A506-A510 VanDerWaalsContact O-CB 3.27Å; A506-A510 WeakPolarHBondContact O-CB 3.48Å; A506-A510 PolarHBondContact O-N 3.4Å; A506-F586 HydrophobicContact CB-CE1 4.03Å; A506-F586 HydrophobicContact CB-CE2 4.22Å; A506-F586 HydrophobicContact CB-CZ 3.57Å; A506-M662 HydrophobicContact CB-CE 3.86Å; A506-A666 HydrophobicContact CB-CB 3.73Å
507	E	97.9	Very high	93.3	Very high	58 Å²	58	31.1 Å²	31.1	27%	0.271	16%	0.158	S	C	.	.	H	α-helix	trans	-57.9	-41.6	173	-77.3	174.6	-152.3	0	0	111.3	K453 N503 E504 F511	K453-E507 WeakPolarHBondContact CE-OE2 3.49Å; K453-E507 IonicContact NZ-OE2 3.99Å; K453-E507 PolarHBondContact NZ-OE2 3.09Å; N503-E507 PolarHBondContact ND2-OE1 3.3Å; N503-E507 WeakPolarHBondContact O-CG 3.41Å; N503-E507 PolarHBondContact O-N 3.15Å; E504-E507 PolarHBondContact O-N 3.34Å; E507-F511 WeakPolarHBondContact O-CB 3.21Å; E507-F511 PolarHBondContact O-N 3.35Å
508	G	96.6	Very high	93	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.7	-47.2	174.8	0	0	0	0	0	113.3	E504 A505 A506 F511 L512	E504-G508 PolarHBondContact O-N 3.43Å; A505-G508 PolarHBondContact O-N 3.37Å; A506-G508 VanDerWaalsContact C-N 3.29Å; A506-G508 PolarHBondContact O-N 2.88Å; G508-F511 WeakPolarHBondContact O-CB 3.41Å; G508-F511 PolarHBondContact O-N 3.08Å; G508-L512 WeakPolarHBondContact O-CG 3.21Å; G508-L512 PolarHBondContact O-N 2.71Å
509	L	97.7	Very high	92.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-69.1	-38.6	178.2	-68.5	168.8	0	0	0	112.3	A505 A506 F511 L512 H513 H522 V525 V540 F586 M662	A505-L509 PolarHBondContact O-N 2.98Å; A506-L509 PolarHBondContact O-N 2.84Å; L509-F511 VanDerWaalsContact C-N 3.28Å; L509-F511 PolarHBondContact O-N 2.74Å; L509-L512 HydrophobicContact CD2-CD1 4.26Å; L509-L512 WeakPolarHBondContact O-CB 3.2Å; L509-L512 PolarHBondContact O-N 3.27Å; L509-L512 VanDerWaalsContact O-N 3.11Å; L509-H513 PolarHBondContact O-N 3.09Å; L509-H522 HydrophobicContact CD2-CB 3.98Å; L509-V525 HydrophobicContact CD1-CG1 3.89Å; L509-V525 HydrophobicContact CD1-CG2 4.06Å; L509-V525 HydrophobicContact CD2-CG2 3.74Å; L509-V540 HydrophobicContact CD2-CG1 4.34Å; L509-V540 HydrophobicContact CG-CG2 4.42Å; L509-F586 HydrophobicContact CD1-CD2 3.45Å; L509-F586 VanDerWaalsContact CD1-CD2 3.45Å; L509-F586 HydrophobicContact CD1-CE2 3.98Å; L509-F586 HydrophobicContact CD1-CG 4.27Å; L509-M662 HydrophobicContact CB-CB 4.32Å; L509-M662 HydrophobicContact CB-CE 3.91Å; L509-M662 HydrophobicContact CB-CG 4Å; L509-M662 HydrophobicContact CD1-CE 3.85Å; L509-M662 HydrophobicContact CD1-SD 4.48Å
510	A	97.1	Very high	92.8	Very high	6 Å²	6	32.3 Å²	32.3	5%	0.05	17%	0.165	C	C	.	.	H	α-helix	trans	-60.5	-38.7	173.7	0	0	0	0	0	111.7	A506 H513 S514 M662 K663	A506-A510 VanDerWaalsContact O-CB 3.27Å; A506-A510 WeakPolarHBondContact O-CB 3.48Å; A506-A510 PolarHBondContact O-N 3.4Å; A510-H513 PolarHBondContact O-N 3.13Å; A510-S514 WeakPolarHBondContact O-CB 3.42Å; A510-S514 PolarHBondContact O-N 2.82Å; A510-M662 HydrophobicContact CB-CB 4.21Å; A510-K663 HydrophobicContact CB-CB 4.36Å
511	F	95.5	Very high	92.7	Very high	49 Å²	49	29.6 Å²	29.6	22%	0.215	16%	0.155	C	C	.	.	H	α-helix	trans	-58.5	-47.3	172	176	-93	0	0	0	111.7	I450 H452 I455 E507 G508 L509 H513 Y515 A516	I450-F511 HydrophobicContact CG2-CE1 4Å; H452-F511 HydrophobicContact CB-CD1 3.95Å; H452-F511 HydrophobicContact CB-CE1 4.14Å; H452-F511 HydrophobicContact CB-CG 4.22Å; H452-F511 AromaticContact CD2-CD2 3.82Å; H452-F511 AromaticContact CD2-CG 3.83Å; H452-F511 AromaticContact CG-CG 3.96Å; I455-F511 HydrophobicContact CD1-CD1 3.75Å; I455-F511 HydrophobicContact CD1-CE1 4.42Å; E507-F511 WeakPolarHBondContact O-CB 3.21Å; E507-F511 PolarHBondContact O-N 3.35Å; G508-F511 WeakPolarHBondContact O-CB 3.41Å; G508-F511 PolarHBondContact O-N 3.08Å; L509-F511 VanDerWaalsContact C-N 3.28Å; L509-F511 PolarHBondContact O-N 2.74Å; F511-H513 PolarHBondContact O-N 3.34Å; F511-Y515 HydrophobicContact CD2-CG 4.34Å; F511-Y515 WeakPolarHBondContact O-CA 3.35Å; F511-Y515 WeakPolarHBondContact O-CB 3.27Å; F511-Y515 PolarHBondContact O-N 3.3Å; F511-A516 PolarHBondContact O-N 3.1Å
512	L	93.4	Very high	92.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.5	-41.3	179.5	-66.6	175.4	0	0	0	112.8	I450 I455 G508 L509 A516 I520 F543	I450-L512 HydrophobicContact CD1-CD2 3.52Å; I450-L512 HydrophobicContact CG1-CD2 4.03Å; I455-L512 HydrophobicContact CD1-CD1 4.21Å; I455-L512 HydrophobicContact CD1-CD2 3.6Å; I455-L512 HydrophobicContact CD1-CG 3.7Å; G508-L512 WeakPolarHBondContact O-CG 3.21Å; G508-L512 PolarHBondContact O-N 2.71Å; L509-L512 HydrophobicContact CD2-CD1 4.26Å; L509-L512 WeakPolarHBondContact O-CB 3.2Å; L509-L512 PolarHBondContact O-N 3.27Å; L509-L512 VanDerWaalsContact O-N 3.11Å; L512-A516 WeakPolarHBondContact O-CB 3.48Å; L512-I520 HydrophobicContact CB-CB 4.19Å; L512-I520 WeakPolarHBondContact CB-O 3.43Å; L512-I520 HydrophobicContact CD2-CB 4.01Å; L512-I520 HydrophobicContact CD2-CD1 4.04Å; L512-I520 HydrophobicContact CD2-CG2 4.04Å; L512-I520 PolarHBondContact O-N 2.67Å; L512-F543 HydrophobicContact CD1-CE1 3.63Å; L512-F543 HydrophobicContact CD1-CZ 4.03Å; L512-F543 HydrophobicContact CD2-CE1 4.04Å
513	H	94	Very high	92.4	Very high	17 Å²	17	29.6 Å²	29.6	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-79.2	-39.5	-177.3	-62.5	167.7	0	0	0	113.7	L509 A510 F511 P519 I520 E579 D582 M662	L509-H513 PolarHBondContact O-N 3.09Å; A510-H513 PolarHBondContact O-N 3.13Å; F511-H513 PolarHBondContact O-N 3.34Å; H513-P519 WeakPolarHBondContact O-CB 3.38Å; H513-I520 PolarHBondContact CD2-O 3.25Å; H513-I520 VanDerWaalsContact CD2-O 3.32Å; H513-E579 HydrophobicContact CB-CB 4.34Å; H513-E579 PolarHBondContact CE1-O 3.03Å; H513-D582 IonicContact CD2-OD2 3.58Å; H513-D582 IonicContact CE1-OD2 2.68Å; H513-D582 IonicContact NE2-OD2 3.18Å; H513-D582 PolarHBondContact NE2-OD2 3.46Å; H513-M662 WeakPolarHBondContact CE1-CG 3.41Å; H513-M662 VanDerWaalsContact ND1-CG 3.3Å; H513-M662 WeakPolarHBondContact ND1-CG 3.29Å
514	S	90.9	Very high	92.2	Very high	66 Å²	66	29.9 Å²	29.9	46%	0.462	16%	0.158	S	C	.	.	H	α-helix	trans	-109.3	-22.3	-167	-56.5	0	0	0	0	114.6	A510	A510-S514 WeakPolarHBondContact O-CB 3.42Å; A510-S514 PolarHBondContact O-N 2.82Å
515	Y	87.4	Confident	92.2	Very high	150 Å²	150	29 Å²	29	59%	0.588	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116	-23.4	-173	-64.7	-89.9	0	0	0	113.3	F511	F511-Y515 HydrophobicContact CD2-CG 4.34Å; F511-Y515 WeakPolarHBondContact O-CA 3.35Å; F511-Y515 WeakPolarHBondContact O-CB 3.27Å; F511-Y515 PolarHBondContact O-N 3.3Å
516	A	85.4	Confident	92.1	Very high	15 Å²	15	30.4 Å²	30.4	12%	0.124	16%	0.16	C	C	.	.	S	Bend	trans	-70.7	143.1	169.7	0	0	0	0	0	110.8	F511 L512 P518 I520	F511-A516 PolarHBondContact O-N 3.1Å; L512-A516 WeakPolarHBondContact O-CB 3.48Å; A516-P518 CarbonylContact C-O 3.53Å; A516-P518 CarbonylContact O-C 3.56Å; A516-I520 HydrophobicContact CB-CD1 3.59Å; A516-I520 HydrophobicContact CB-CG1 3.88Å
517	N	78.5	Confident	91.9	Very high	149 Å²	149	30.4 Å²	30.4	80%	0.797	16%	0.16	S	C	*	.	S	Bend	trans	-133.7	109.4	177.2	-174.9	22.7	0	0	0	110.8
518	P	82	Confident	91.7	Very high	33 Å²	33	29.6 Å²	29.6	21%	0.214	16%	0.161	C	C	.	.	S	Bend	cis	-67.7	158.8	-1.2	27.9	-32.6	0	0	0	112.4	A516 L548	A516-P518 CarbonylContact C-O 3.53Å; A516-P518 CarbonylContact O-C 3.56Å; P518-L548 HydrophobicContact CG-CB 3.94Å; P518-L548 HydrophobicContact CG-CD1 3.86Å; P518-L548 HydrophobicContact CG-CD2 4.03Å; P518-L548 HydrophobicContact CG-CG 4.14Å
519	P	87.8	Confident	91.6	Very high	46 Å²	46	30.2 Å²	30.2	30%	0.299	16%	0.164	S	C	.	.			trans	-53.8	147.2	173.9	-28.1	36.3	0	0	0	112.4	H513 A549	H513-P519 WeakPolarHBondContact O-CB 3.38Å; P519-A549 HydrophobicContact CB-CB 3.87Å; P519-A549 HydrophobicContact CG-CB 4.43Å; P519-A549 WeakPolarHBondContact O-CB 3.36Å; P519-A549 PolarHBondContact O-N 3Å
520	I	90.2	Very high	91.6	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.2	-175.4	-61.7	163.5	0	0	0	108.2	I446 I450 L512 H513 A516 L548	I446-I520 HydrophobicContact CG2-CD1 4.02Å; I446-I520 HydrophobicContact CG2-CG1 4.3Å; I446-I520 HydrophobicContact CG2-CG2 3.61Å; I450-I520 HydrophobicContact CD1-CD1 3.65Å; I450-I520 HydrophobicContact CG1-CD1 3.67Å; L512-I520 HydrophobicContact CB-CB 4.19Å; L512-I520 WeakPolarHBondContact CB-O 3.43Å; L512-I520 HydrophobicContact CD2-CB 4.01Å; L512-I520 HydrophobicContact CD2-CD1 4.04Å; L512-I520 HydrophobicContact CD2-CG2 4.04Å; L512-I520 PolarHBondContact O-N 2.67Å; H513-I520 PolarHBondContact CD2-O 3.25Å; H513-I520 VanDerWaalsContact CD2-O 3.32Å; A516-I520 HydrophobicContact CB-CD1 3.59Å; A516-I520 HydrophobicContact CB-CG1 3.88Å; I520-L548 HydrophobicContact CG1-CD2 3.8Å
521	L	91.5	Very high	91.5	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.4	175.6	-48.8	-174.7	0	0	0	108.1	S546 I547 A549 L577 E579	L521-S546 CarbonylContact O-C 3.58Å; L521-S546 WeakPolarHBondContact O-CA 3.34Å; L521-S546 WeakPolarHBondContact O-CB 3.26Å; L521-I547 HydrophobicContact CB-CG1 4.01Å; L521-I547 HydrophobicContact CD1-CD1 4.19Å; L521-I547 HydrophobicContact CD1-CG1 4.1Å; L521-I547 HydrophobicContact CG-CG1 4.29Å; L521-I547 PolarHBondContact N-O 3.03Å; L521-I547 PolarHBondContact O-N 2.95Å; L521-A549 HydrophobicContact CD2-CB 4.42Å; L521-A549 HydrophobicContact CG-CB 4.32Å; L521-L577 HydrophobicContact CB-CD2 4.05Å; L521-L577 HydrophobicContact CB-CG 4.33Å; L521-L577 HydrophobicContact CD1-CD2 4.47Å; L521-L577 HydrophobicContact CD1-CG 4.11Å; L521-L577 VanDerWaalsContact CD1-O 3.23Å; L521-L577 WeakPolarHBondContact CD1-O 3.27Å; L521-E579 HydrophobicContact CD2-CB 3.83Å
522	H	93.1	Very high	91.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.161	C	C	.	.			trans	-73.4	-48.3	-174.8	-173.3	-79.1	0	0	0	111.6	L509 D524 V525 V540 S541 D542 F543 A545 S546 D582	L509-H522 HydrophobicContact CD2-CB 3.98Å; H522-D524 VanDerWaalsContact C-N 3.26Å; H522-D524 PolarHBondContact CE1-O 3.21Å; H522-D524 VanDerWaalsContact ND1-C 3.3Å; H522-D524 PolarHBondContact ND1-N 3.38Å; H522-D524 PolarHBondContact O-N 2.03Å; H522-V525 HydrophobicContact CB-CG2 3.76Å; H522-V525 PolarHBondContact ND1-N 2.86Å; H522-V540 VanDerWaalsContact CD2-CG1 3.47Å; H522-V540 WeakPolarHBondContact CD2-CG1 3.33Å; H522-V540 WeakPolarHBondContact NE2-CG1 3.34Å; H522-S541 PolarHBondContact NE2-O 2.89Å; H522-D542 PolarHBondContact CE1-O 2.94Å; H522-F543 AromaticContact CD2-CE1 3.99Å; H522-A545 CarbonylContact O-C 3.51Å; H522-S546 WeakPolarHBondContact CA-OG 3Å; H522-S546 WeakPolarHBondContact O-CA 3.42Å; H522-S546 PolarHBondContact O-N 3.35Å; H522-S546 PolarHBondContact O-OG 3.14Å; H522-D582 PolarHBondContact N-OD2 2.83Å
523	G	91.1	Very high	91.4	Very high	6 Å²	6	30.2 Å²	30.2	6%	0.062	17%	0.166	C	C	.	.	S	Bend	trans	83	-25.3	173.1	0	0	0	0	0	115.7	D582	G523-D582 PolarHBondContact N-OD1 3.47Å
524	D	92.6	Very high	91.2	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.032	20%	0.196	C	C	.	.			trans	-132.6	50.9	177.8	-167.5	36.3	0	0	0	112.5	H522 K526 N529 A545 G562 T563	H522-D524 VanDerWaalsContact C-N 3.26Å; H522-D524 PolarHBondContact CE1-O 3.21Å; H522-D524 VanDerWaalsContact ND1-C 3.3Å; H522-D524 PolarHBondContact ND1-N 3.38Å; H522-D524 PolarHBondContact O-N 2.03Å; D524-K526 PolarHBondContact O-N 3.2Å; D524-K526 IonicContact OD1-NZ 3.81Å; D524-K526 WeakPolarHBondContact OD2-CE 3.24Å; D524-K526 IonicContact OD2-NZ 3.74Å; D524-K526 PolarHBondContact OD2-NZ 3.11Å; D524-N529 PolarHBondContact O-ND2 3.42Å; D524-N529 PolarHBondContact OD2-ND2 2.96Å; D524-A545 HydrophobicContact CB-CB 4.09Å; D524-G562 WeakPolarHBondContact OD1-CA 3.43Å; D524-T563 WeakPolarHBondContact OD1-CB 3.22Å; D524-T563 PolarHBondContact OD1-N 2.82Å; D524-T563 PolarHBondContact OD1-OG1 2.88Å
525	V	96.8	Very high	91	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.024	20%	0.204	C	C	.	.			trans	-68.9	121.3	177.2	178.1	0	0	0	0	109.8	L509 H522 Y566 D582 F586 V589	L509-V525 HydrophobicContact CD1-CG1 3.89Å; L509-V525 HydrophobicContact CD1-CG2 4.06Å; L509-V525 HydrophobicContact CD2-CG2 3.74Å; H522-V525 HydrophobicContact CB-CG2 3.76Å; H522-V525 PolarHBondContact ND1-N 2.86Å; V525-Y566 WeakPolarHBondContact O-CD1 3.41Å; V525-D582 HydrophobicContact CG2-CB 4.09Å; V525-F586 HydrophobicContact CG1-CB 4.37Å; V525-F586 HydrophobicContact CG1-CD2 4.17Å; V525-V589 HydrophobicContact CG1-CG2 4.35Å
526	K	95.8	Very high	91	Very high	28 Å²	28	37.1 Å²	37.1	12%	0.122	20%	0.196	C	C	.	.			trans	-160.4	162.8	178.7	63.4	-165.4	-171.3	-152.5	0	111.4	D524 S528 N529 I530 T563 Y566	D524-K526 PolarHBondContact O-N 3.2Å; D524-K526 IonicContact OD1-NZ 3.81Å; D524-K526 WeakPolarHBondContact OD2-CE 3.24Å; D524-K526 IonicContact OD2-NZ 3.74Å; D524-K526 PolarHBondContact OD2-NZ 3.11Å; K526-S528 WeakPolarHBondContact CD-OG 3.49Å; K526-S528 WeakPolarHBondContact CE-OG 3.14Å; K526-S528 WeakPolarHBondContact CG-OG 3.37Å; K526-S528 PolarHBondContact O-N 2.91Å; K526-N529 VanDerWaalsContact CE-CG 3.49Å; K526-N529 VanDerWaalsContact CE-ND2 3.33Å; K526-N529 WeakPolarHBondContact CE-ND2 3.3Å; K526-N529 WeakPolarHBondContact CE-OD1 3.13Å; K526-N529 HydrophobicContact CG-CB 3.89Å; K526-N529 PolarHBondContact O-N 2.99Å; K526-I530 PolarHBondContact O-N 2.84Å; K526-T563 HydrophobicContact CD-CG2 4.11Å; K526-T563 WeakPolarHBondContact CD-OG1 3.02Å; K526-T563 PolarHBondContact NZ-OG1 2.84Å; K526-Y566 HydrophobicContact CB-CD1 3.89Å; K526-Y566 HydrophobicContact CB-CD2 3.87Å; K526-Y566 HydrophobicContact CB-CE1 3.74Å; K526-Y566 HydrophobicContact CB-CE2 3.67Å; K526-Y566 HydrophobicContact CB-CG 3.96Å
527	T	95.3	Very high	91.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-62.3	-27.3	-179	47.4	0	0	0	0	113.4	L480 F481 I484 N529 I530 Y566 V589 E592	L480-T527 WeakPolarHBondContact CB-O 3.29Å; L480-T527 HydrophobicContact CD2-CG2 4.04Å; L480-T527 HydrophobicContact CG-CG2 4.05Å; L480-T527 PolarHBondContact N-O 2.89Å; F481-T527 WeakPolarHBondContact CD2-OG1 3.42Å; F481-T527 PolarHBondContact N-O 2.9Å; I484-T527 HydrophobicContact CD1-CG2 3.89Å; T527-N529 VanDerWaalsContact C-N 3.31Å; T527-N529 PolarHBondContact O-N 2.81Å; T527-I530 PolarHBondContact O-N 2.82Å; T527-Y566 PolarHBondContact OG1-OH 3.38Å; T527-Y566 VanDerWaalsContact OG1-OH 3.06Å; T527-V589 HydrophobicContact CG2-CB 4.41Å; T527-V589 HydrophobicContact CG2-CG1 3.93Å; T527-V589 HydrophobicContact CG2-CG2 4.23Å; T527-E592 WeakPolarHBondContact CG2-OE2 3.33Å; T527-E592 PolarHBondContact OG1-OE1 3.32Å; T527-E592 PolarHBondContact OG1-OE2 3.03Å; T527-E592 VanDerWaalsContact OG1-OE2 3.13Å
528	S	93	Very high	92.2	Very high	42 Å²	42	32.3 Å²	32.3	29%	0.294	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-77.2	-14.7	175.5	48	0	0	0	0	114.2	T479 K526	T479-S528 VanDerWaalsContact CG2-O 3.23Å; T479-S528 WeakPolarHBondContact CG2-O 3.46Å; K526-S528 WeakPolarHBondContact CD-OG 3.49Å; K526-S528 WeakPolarHBondContact CE-OG 3.14Å; K526-S528 WeakPolarHBondContact CG-OG 3.37Å; K526-S528 PolarHBondContact O-N 2.91Å
529	N	94.6	Very high	92.9	Very high	12 Å²	12	31.8 Å²	31.8	6%	0.064	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-97.1	0.2	175.3	-75.8	-3.6	0	0	0	112.7	D524 K526 T527 S541	D524-N529 PolarHBondContact O-ND2 3.42Å; D524-N529 PolarHBondContact OD2-ND2 2.96Å; K526-N529 VanDerWaalsContact CE-CG 3.49Å; K526-N529 VanDerWaalsContact CE-ND2 3.33Å; K526-N529 WeakPolarHBondContact CE-ND2 3.3Å; K526-N529 WeakPolarHBondContact CE-OD1 3.13Å; K526-N529 HydrophobicContact CG-CB 3.89Å; K526-N529 PolarHBondContact O-N 2.99Å; T527-N529 VanDerWaalsContact C-N 3.31Å; T527-N529 PolarHBondContact O-N 2.81Å; N529-S541 WeakPolarHBondContact CB-O 3.36Å; N529-S541 WeakPolarHBondContact O-CB 3.29Å; N529-S541 PolarHBondContact O-N 2.88Å; N529-S541 PolarHBondContact O-OG 3.05Å
530	I	96.9	Very high	93.3	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.015	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	105.4	172.3	-62.1	166	0	0	0	107.7	T479 L480 I501 A505 K526 T527 A538 V589	T479-I530 CarbonylContact C-O 3.58Å; T479-I530 WeakPolarHBondContact CA-O 3.3Å; L480-I530 HydrophobicContact CB-CB 4Å; L480-I530 HydrophobicContact CB-CG2 4.07Å; L480-I530 HydrophobicContact CD2-CB 4.28Å; L480-I530 HydrophobicContact CD2-CD1 3.9Å; L480-I530 HydrophobicContact CD2-CG2 4.13Å; L480-I530 PolarHBondContact N-O 3.44Å; I501-I530 HydrophobicContact CG2-CG2 4.22Å; A505-I530 HydrophobicContact CB-CD1 3.79Å; A505-I530 HydrophobicContact CB-CG1 4.15Å; A505-I530 HydrophobicContact CB-CG2 4.17Å; K526-I530 PolarHBondContact O-N 2.84Å; T527-I530 PolarHBondContact O-N 2.82Å; I530-A538 HydrophobicContact CG2-CB 3.95Å; I530-V589 HydrophobicContact CD1-CG1 4.13Å
531	L	96.2	Very high	93.5	Very high	37 Å²	37	30.3 Å²	30.3	19%	0.194	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	157.9	-179.1	-51.2	-175.1	0	0	0	111.6	V456 I475 G478 T479 A538 K539 S541	V456-L531 HydrophobicContact CG2-CD1 4Å; I475-L531 HydrophobicContact CB-CB 4.02Å; I475-L531 HydrophobicContact CB-CD1 3.97Å; I475-L531 HydrophobicContact CG1-CB 4.37Å; I475-L531 HydrophobicContact CG1-CD1 4.04Å; I475-L531 HydrophobicContact CG2-CB 3.5Å; I475-L531 VanDerWaalsContact CG2-CB 3.5Å; I475-L531 HydrophobicContact CG2-CD1 4.4Å; G478-L531 WeakPolarHBondContact O-CA 3.49Å; T479-L531 HydrophobicContact CG2-CD2 3.69Å; L531-A538 CarbonylContact O-C 3.57Å; L531-A538 WeakPolarHBondContact O-CA 3.07Å; L531-K539 PolarHBondContact N-O 3.49Å; L531-K539 PolarHBondContact O-N 3.34Å; L531-S541 WeakPolarHBondContact CG-OG 3.28Å
532	L	94.8	Very high	93.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.3	-178.2	-56.5	174.8	0	0	0	111	I475 N477 G478 L483 I501 Y536 M537	I475-L532 WeakPolarHBondContact CG2-O 3.35Å; N477-L532 WeakPolarHBondContact CA-O 3.32Å; N477-L532 HydrophobicContact CB-CB 3.87Å; N477-L532 VanDerWaalsContact CB-O 3.3Å; N477-L532 WeakPolarHBondContact CB-O 3.49Å; N477-L532 PolarHBondContact N-O 2.92Å; G478-L532 PolarHBondContact O-N 2.6Å; L483-L532 HydrophobicContact CB-CD1 4.33Å; L483-L532 HydrophobicContact CD1-CD1 4.09Å; L483-L532 HydrophobicContact CD2-CD1 3.89Å; L483-L532 HydrophobicContact CG-CD1 4.33Å; I501-L532 HydrophobicContact CD1-CD2 3.85Å; I501-L532 HydrophobicContact CG1-CD2 4.04Å; I501-L532 HydrophobicContact CG2-CD2 3.78Å; L532-Y536 HydrophobicContact CD1-CD1 4.38Å; L532-M537 WeakPolarHBondContact CA-O 3.39Å
533	D	92.2	Very high	92.9	Very high	17 Å²	17	31.9 Å²	31.9	9%	0.091	16%	0.161	C	C	.	.			trans	-75.7	-178	178.3	80.3	4.3	0	0	0	113.2	I475 N477 N535 Y536 M537	I475-D533 HydrophobicContact CD1-CB 4.43Å; I475-D533 HydrophobicContact CG2-CB 4.4Å; N477-D533 PolarHBondContact ND2-O 2.04Å; D533-N535 PolarHBondContact O-N 2.94Å; D533-N535 VanDerWaalsContact O-N 3.1Å; D533-N535 WeakPolarHBondContact OD1-CA 3.37Å; D533-N535 PolarHBondContact OD1-N 3.1Å; D533-Y536 WeakPolarHBondContact O-CA 3.47Å; D533-Y536 PolarHBondContact O-N 3.15Å; D533-Y536 PolarHBondContact OD1-N 2.95Å; D533-M537 PolarHBondContact N-O 2.96Å; D533-M537 WeakPolarHBondContact OD1-CB 3.41Å; D533-M537 PolarHBondContact OD1-N 3.33Å; D533-M537 WeakPolarHBondContact OD2-CE 3.28Å
534	E	88.4	Confident	92.3	Very high	154 Å²	154	31.9 Å²	31.9	72%	0.72	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-31.2	179.8	-66.1	177.2	-174.9	0	0	113.5	P476	P476-E534 HydrophobicContact CG-CB 4.48Å; P476-E534 HydrophobicContact CG-CG 3.59Å
535	N	87.4	Confident	91.7	Very high	116 Å²	116	31.8 Å²	31.8	62%	0.62	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	12.5	179.7	-61.4	-51.6	0	0	0	112.6	D533 M537	D533-N535 PolarHBondContact O-N 2.94Å; D533-N535 VanDerWaalsContact O-N 3.1Å; D533-N535 WeakPolarHBondContact OD1-CA 3.37Å; D533-N535 PolarHBondContact OD1-N 3.1Å; N535-M537 HydrophobicContact CB-CG 4.2Å; N535-M537 PolarHBondContact O-N 3.4Å
536	Y	86.8	Confident	91.1	Very high	108 Å²	108	31.8 Å²	31.8	42%	0.424	16%	0.16	S	C	.	.			trans	54	33.8	-171.5	-68.2	-100.6	0	0	0	112.3	N477 R500 L532 D533	N477-Y536 HydrophobicContact CB-CE1 4.31Å; R500-Y536 PolarHBondContact NH1-O 3.44Å; R500-Y536 PolarHBondContact NH2-O 2.81Å; L532-Y536 HydrophobicContact CD1-CD1 4.38Å; D533-Y536 WeakPolarHBondContact O-CA 3.47Å; D533-Y536 PolarHBondContact O-N 3.15Å; D533-Y536 PolarHBondContact OD1-N 2.95Å
537	M	93.1	Very high	90.5	Very high	63 Å²	63	31.7 Å²	31.7	31%	0.31	16%	0.161	S	C	.	.			trans	-83	140.2	168.1	-61.8	-170	-59.5	0	0	110	E504 L532 D533 N535	E504-M537 VanDerWaalsContact OE2-CA 3.24Å; E504-M537 WeakPolarHBondContact OE2-CA 3.18Å; L532-M537 WeakPolarHBondContact CA-O 3.39Å; D533-M537 PolarHBondContact N-O 2.96Å; D533-M537 WeakPolarHBondContact OD1-CB 3.41Å; D533-M537 PolarHBondContact OD1-N 3.33Å; D533-M537 WeakPolarHBondContact OD2-CE 3.28Å; N535-M537 HydrophobicContact CB-CG 4.2Å; N535-M537 PolarHBondContact O-N 3.4Å
538	A	96.5	Very high	89.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	134.1	-179.7	0	0	0	0	0	111.2	N454 I501 E504 A505 I530 L531	N454-A538 VanDerWaalsContact CA-O 3.29Å; N454-A538 WeakPolarHBondContact CA-O 3.37Å; N454-A538 WeakPolarHBondContact CB-O 3.39Å; N454-A538 PolarHBondContact ND2-O 2.91Å; I501-A538 HydrophobicContact CB-CB 4.37Å; I501-A538 HydrophobicContact CG2-CB 3.71Å; I501-A538 WeakPolarHBondContact O-CB 2.98Å; E504-A538 HydrophobicContact CB-CB 3.64Å; E504-A538 PolarHBondContact OE2-N 2.99Å; A505-A538 HydrophobicContact CB-CB 4.43Å; I530-A538 HydrophobicContact CG2-CB 3.95Å; L531-A538 CarbonylContact O-C 3.57Å; L531-A538 WeakPolarHBondContact O-CA 3.07Å
539	K	97.3	Very high	88.8	Confident	21 Å²	21	33.3 Å²	33.3	9%	0.091	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	122	171.2	-65.3	-169.7	174.2	-161.2	0	111	K453 N454 V456 E473 I475 L531	K453-K539 WeakPolarHBondContact O-CE 3.38Å; N454-K539 WeakPolarHBondContact O-CA 3.36Å; V456-K539 HydrophobicContact CG2-CB 3.77Å; E473-K539 IonicContact OE1-NZ 3.27Å; E473-K539 PolarHBondContact OE1-NZ 3.2Å; E473-K539 IonicContact OE2-NZ 2.72Å; E473-K539 PolarHBondContact OE2-NZ 3.08Å; I475-K539 HydrophobicContact CD1-CD 3.8Å; L531-K539 PolarHBondContact N-O 3.49Å; L531-K539 PolarHBondContact O-N 3.34Å
540	V	96.9	Very high	87.5	Confident	4 Å²	4	34 Å²	34	2%	0.024	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	136.9	174.6	-177.6	0	0	0	0	109.7	N454 V456 A505 L509 H522 F543	N454-V540 PolarHBondContact O-N 3.07Å; V456-V540 WeakPolarHBondContact CG2-O 3.4Å; V456-V540 PolarHBondContact N-O 3.26Å; A505-V540 HydrophobicContact CB-CG2 4.31Å; L509-V540 HydrophobicContact CD2-CG1 4.34Å; L509-V540 HydrophobicContact CG-CG2 4.42Å; H522-V540 VanDerWaalsContact CD2-CG1 3.47Å; H522-V540 WeakPolarHBondContact CD2-CG1 3.33Å; H522-V540 WeakPolarHBondContact NE2-CG1 3.34Å; V540-F543 HydrophobicContact CG1-CZ 4.45Å
541	S	92.9	Very high	85.9	Confident	14 Å²	14	40.2 Å²	40.2	10%	0.098	21%	0.207	C	C	.	.			trans	-141.6	173.3	-172.1	74.1	0	0	0	0	112.1	H522 N529 L531	H522-S541 PolarHBondContact NE2-O 2.89Å; N529-S541 WeakPolarHBondContact CB-O 3.36Å; N529-S541 WeakPolarHBondContact O-CB 3.29Å; N529-S541 PolarHBondContact O-N 2.88Å; N529-S541 PolarHBondContact O-OG 3.05Å; L531-S541 WeakPolarHBondContact CG-OG 3.28Å
542	D	87.1	Confident	84.1	Confident	34 Å²	34	43.8 Å²	43.8	18%	0.182	23%	0.227	C	C	.	.			trans	61.4	77.4	-178.1	-159.4	19.1	0	0	0	114.8	H410 K427 H522 G544	H410-D542 IonicContact CE1-OD2 2.78Å; H410-D542 IonicContact ND1-OD1 2.77Å; H410-D542 IonicContact ND1-OD2 2.79Å; H410-D542 PolarHBondContact ND1-OD2 2.77Å; K427-D542 IonicContact NZ-OD1 3.95Å; K427-D542 PolarHBondContact NZ-OD1 3.45Å; H522-D542 PolarHBondContact CE1-O 2.94Å; D542-G544 PolarHBondContact O-N 2.69Å
543	F	85.2	Confident	82.1	Confident	1 Å²	1	52.4 Å²	52.4	0%	0.004	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-89.8	21.1	-179.7	-70.3	-103	0	0	0	112.6	E443 I446 L447 I450 I455 L512 H522 V540 A545 S546	E443-F543 HydrophobicContact CG-CB 4.04Å; E443-F543 PolarHBondContact OE1-N 2.8Å; I446-F543 HydrophobicContact CG2-CD1 4.16Å; L447-F543 HydrophobicContact CD1-CB 4.14Å; L447-F543 HydrophobicContact CD1-CD2 4.32Å; L447-F543 HydrophobicContact CD1-CG 4.43Å; L447-F543 HydrophobicContact CD2-CB 4.38Å; L447-F543 HydrophobicContact CD2-CD1 4.35Å; L447-F543 HydrophobicContact CD2-CD2 3.49Å; L447-F543 VanDerWaalsContact CD2-CD2 3.49Å; L447-F543 HydrophobicContact CD2-CE2 3.75Å; L447-F543 HydrophobicContact CD2-CG 3.82Å; L447-F543 HydrophobicContact CD2-CZ 4.29Å; L447-F543 HydrophobicContact CG-CB 4.12Å; L447-F543 HydrophobicContact CG-CD2 4.14Å; L447-F543 HydrophobicContact CG-CG 4.08Å; I450-F543 HydrophobicContact CD1-CE1 4.03Å; I450-F543 HydrophobicContact CD1-CZ 4.5Å; I455-F543 HydrophobicContact CG2-CE2 3.76Å; I455-F543 HydrophobicContact CG2-CZ 3.47Å; I455-F543 VanDerWaalsContact CG2-CZ 3.47Å; L512-F543 HydrophobicContact CD1-CE1 3.63Å; L512-F543 HydrophobicContact CD1-CZ 4.03Å; L512-F543 HydrophobicContact CD2-CE1 4.04Å; H522-F543 AromaticContact CD2-CE1 3.99Å; V540-F543 HydrophobicContact CG1-CZ 4.45Å; F543-A545 VanDerWaalsContact C-N 3.3Å; F543-A545 PolarHBondContact O-N 2.85Å; F543-S546 VanDerWaalsContact CA-OG 3.24Å; F543-S546 WeakPolarHBondContact CA-OG 2.97Å; F543-S546 WeakPolarHBondContact CD1-OG 3.48Å; F543-S546 WeakPolarHBondContact O-CB 3.37Å; F543-S546 PolarHBondContact O-N 3.43Å; F543-S546 VanDerWaalsContact O-N 3.14Å; F543-S546 PolarHBondContact O-OG 3.1Å
544	G	78.1	Confident	80.2	Confident	5 Å²	5	56.5 Å²	56.5	5%	0.052	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-65.3	-31.8	-176.8	0	0	0	0	0	113.6	D542	D542-G544 PolarHBondContact O-N 2.69Å
545	A	80.1	Confident	78.6	Confident	5 Å²	5	55.5 Å²	55.5	4%	0.041	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-93.5	0.5	175.4	0	0	0	0	0	113.2	H522 D524 F543 Q561	H522-A545 CarbonylContact O-C 3.51Å; D524-A545 HydrophobicContact CB-CB 4.09Å; F543-A545 VanDerWaalsContact C-N 3.3Å; F543-A545 PolarHBondContact O-N 2.85Å; A545-Q561 HydrophobicContact CB-CB 3.95Å
546	S	85.3	Confident	77	Confident	3 Å²	3	53 Å²	53	2%	0.021	28%	0.282	C	S	.	.			trans	-77.3	146	-172.7	-55.8	0	0	0	0	112.4	I446 L521 H522 F543	I446-S546 WeakPolarHBondContact CD1-O 3.41Å; L521-S546 CarbonylContact O-C 3.58Å; L521-S546 WeakPolarHBondContact O-CA 3.34Å; L521-S546 WeakPolarHBondContact O-CB 3.26Å; H522-S546 WeakPolarHBondContact CA-OG 3Å; H522-S546 WeakPolarHBondContact O-CA 3.42Å; H522-S546 PolarHBondContact O-N 3.35Å; H522-S546 PolarHBondContact O-OG 3.14Å; F543-S546 VanDerWaalsContact CA-OG 3.24Å; F543-S546 WeakPolarHBondContact CA-OG 2.97Å; F543-S546 WeakPolarHBondContact CD1-OG 3.48Å; F543-S546 WeakPolarHBondContact O-CB 3.37Å; F543-S546 PolarHBondContact O-N 3.43Å; F543-S546 VanDerWaalsContact O-N 3.14Å; F543-S546 PolarHBondContact O-OG 3.1Å
547	I	82.8	Confident	75.7	Confident	26 Å²	26	53.6 Å²	53.6	13%	0.133	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	153.3	176.8	67.5	178.8	0	0	0	110.5	L521 T558 L577	L521-I547 HydrophobicContact CB-CG1 4.01Å; L521-I547 HydrophobicContact CD1-CD1 4.19Å; L521-I547 HydrophobicContact CD1-CG1 4.1Å; L521-I547 HydrophobicContact CG-CG1 4.29Å; L521-I547 PolarHBondContact N-O 3.03Å; L521-I547 PolarHBondContact O-N 2.95Å; I547-T558 HydrophobicContact CD1-CG2 3.63Å; I547-L577 HydrophobicContact CD1-CB 4.12Å; I547-L577 HydrophobicContact CD1-CD2 3.87Å; I547-L577 HydrophobicContact CD1-CG 4.44Å; I547-L577 HydrophobicContact CG1-CD2 3.99Å
548	L	79.9	Confident	74.5	Confident	56 Å²	56	51.8 Å²	51.8	29%	0.293	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	132.3	163.3	-58.3	179.6	0	0	0	107.6	L445 I446 P518 I520	L445-L548 HydrophobicContact CD2-CD1 4.45Å; I446-L548 HydrophobicContact CD1-CD2 4.34Å; I446-L548 HydrophobicContact CG1-CD2 3.7Å; I446-L548 HydrophobicContact CG1-CG 4.14Å; P518-L548 HydrophobicContact CG-CB 3.94Å; P518-L548 HydrophobicContact CG-CD1 3.86Å; P518-L548 HydrophobicContact CG-CD2 4.03Å; P518-L548 HydrophobicContact CG-CG 4.14Å; I520-L548 HydrophobicContact CG1-CD2 3.8Å
549	A	72.6	Confident	73.3	Confident	21 Å²	21	57.8 Å²	57.8	17%	0.174	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-55.1	126.6	177.7	0	0	0	0	0	109.2	P519 L521 N551	P519-A549 HydrophobicContact CB-CB 3.87Å; P519-A549 HydrophobicContact CG-CB 4.43Å; P519-A549 WeakPolarHBondContact O-CB 3.36Å; P519-A549 PolarHBondContact O-N 3Å; L521-A549 HydrophobicContact CD2-CB 4.42Å; L521-A549 HydrophobicContact CG-CB 4.32Å; A549-N551 PolarHBondContact O-N 3Å
550	P	68	Low	72.3	Confident	26 Å²	26	58.9 Å²	58.9	17%	0.169	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-66.4	134.1	-175.6	24	-31.1	0	0	0	110.9	Q555 F556	P550-Q555 HydrophobicContact CB-CB 3.77Å; P550-F556 HydrophobicContact CB-CD2 4.38Å; P550-F556 HydrophobicContact CB-CE2 4.31Å; P550-F556 HydrophobicContact CG-CD1 4.12Å; P550-F556 HydrophobicContact CG-CD2 4.16Å; P550-F556 HydrophobicContact CG-CE1 4.04Å; P550-F556 HydrophobicContact CG-CE2 4.12Å; P550-F556 HydrophobicContact CG-CG 4.2Å; P550-F556 HydrophobicContact CG-CZ 4.06Å
551	N	63	Low	71.3	Confident	134 Å²	134	61 Å²	61	72%	0.717	34%	0.337	S	S	*	.	S	Bend	trans	-81.8	-21.2	176.3	-70.5	-5.9	0	0	0	112.9	A549	A549-N551 PolarHBondContact O-N 3Å
552	D	58.2	Low	70.8	Confident	111 Å²	111	62 Å²	62	59%	0.594	35%	0.349	S	S	*	.	S	Bend	trans	-129.8	141.7	-171.6	-69	-39.7	0	0	0	112.4	A554 Q555 F556	D552-A554 PolarHBondContact O-N 3.27Å; D552-Q555 PolarHBondContact O-N 3.39Å; D552-Q555 VanDerWaalsContact O-N 3.07Å; D552-F556 WeakPolarHBondContact O-CD2 3.4Å; D552-F556 WeakPolarHBondContact O-CE2 3.41Å
553	E	53.1	Low	70.8	Confident	181 Å²	181	62.4 Å²	62.4	85%	0.846	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-52	-27.1	-178.9	-72	-170.6	171.9	0	0	114.5	Q555 F556	E553-Q555 PolarHBondContact O-N 2.67Å; E553-F556 VanDerWaalsContact CA-CE2 3.5Å; E553-F556 WeakPolarHBondContact O-CD2 3.42Å
554	A	52.1	Low	70.8	Confident	104 Å²	104	66.5 Å²	66.5	86%	0.86	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-72.9	-9.2	-178.9	0	0	0	0	0	114.7	D552	D552-A554 PolarHBondContact O-N 3.27Å
555	Q	53.9	Low	71.4	Confident	132 Å²	132	67 Å²	67	62%	0.617	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-105.9	0.9	-178.2	-71.9	-175.4	-4.2	0	0	114.8	P550 D552 E553 V557	P550-Q555 HydrophobicContact CB-CB 3.77Å; D552-Q555 PolarHBondContact O-N 3.39Å; D552-Q555 VanDerWaalsContact O-N 3.07Å; E553-Q555 PolarHBondContact O-N 2.67Å; Q555-V557 PolarHBondContact O-N 2.77Å
556	F	54.7	Low	72.1	Confident	63 Å²	63	67.2 Å²	67.2	28%	0.276	39%	0.386	S	S	.	.			trans	-73.7	-25	-166.3	-85.2	-99	0	0	0	116	P550 D552 E553 T558 Q576	P550-F556 HydrophobicContact CB-CD2 4.38Å; P550-F556 HydrophobicContact CB-CE2 4.31Å; P550-F556 HydrophobicContact CG-CD1 4.12Å; P550-F556 HydrophobicContact CG-CD2 4.16Å; P550-F556 HydrophobicContact CG-CE1 4.04Å; P550-F556 HydrophobicContact CG-CE2 4.12Å; P550-F556 HydrophobicContact CG-CG 4.2Å; P550-F556 HydrophobicContact CG-CZ 4.06Å; D552-F556 WeakPolarHBondContact O-CD2 3.4Å; D552-F556 WeakPolarHBondContact O-CE2 3.41Å; E553-F556 VanDerWaalsContact CA-CE2 3.5Å; E553-F556 WeakPolarHBondContact O-CD2 3.42Å; F556-T558 PolarHBondContact O-N 3.24Å; F556-Q576 HydrophobicContact CB-CG 4.21Å
557	V	58.3	Low	72.4	Confident	121 Å²	121	69 Å²	69	73%	0.733	40%	0.396	S	S	*	.			trans	-78.1	102.3	-179.8	-175.7	0	0	0	0	109.4	Q555 C575	Q555-V557 PolarHBondContact O-N 2.77Å; V557-C575 HydrophobicContact CG1-CB 4.1Å
558	T	68.5	Low	73	Confident	25 Å²	25	67.9 Å²	67.9	15%	0.153	39%	0.39	C	S	.	.			trans	-98.5	150	175.5	63.3	0	0	0	0	109.6	I547 F556 V560 Y571 C575 L577	I547-T558 HydrophobicContact CD1-CG2 3.63Å; F556-T558 PolarHBondContact O-N 3.24Å; T558-V560 PolarHBondContact O-N 3.48Å; T558-Y571 VanDerWaalsContact OG1-CE2 3.24Å; T558-Y571 WeakPolarHBondContact OG1-CE2 3.22Å; T558-Y571 PolarHBondContact OG1-OH 3.02Å; T558-C575 PolarHBondContact N-O 2.79Å; T558-C575 PolarHBondContact OG1-O 2.94Å; T558-L577 HydrophobicContact CG2-CB 4.47Å
559	M	70.5	Confident	73.6	Confident	127 Å²	127	67 Å²	67	63%	0.626	39%	0.388	S	S	*	.			trans	-70.9	129.1	169.6	-178.5	172.7	178.8	0	0	108.2	Q561 Y571	M559-Q561 PolarHBondContact O-N 3.24Å; M559-Q561 VanDerWaalsContact O-N 3.12Å; M559-Y571 PolarHBondContact O-OH 3.15Å
560	V	76.4	Confident	74.4	Confident	44 Å²	44	68.3 Å²	68.3	27%	0.267	39%	0.39	S	S	.	.			trans	-60.8	115.9	-179.7	-179.2	0	0	0	0	110.4	T558 L567 Y571 L572 C575	T558-V560 PolarHBondContact O-N 3.48Å; V560-L567 HydrophobicContact CG1-CD2 4.18Å; V560-Y571 WeakPolarHBondContact CA-OH 3.2Å; V560-Y571 HydrophobicContact CG1-CD1 4.37Å; V560-Y571 HydrophobicContact CG1-CE1 4.03Å; V560-Y571 HydrophobicContact CG2-CE2 4.17Å; V560-L572 HydrophobicContact CG1-CD1 3.96Å; V560-C575 HydrophobicContact CG2-CB 4.5Å
561	Q	76.3	Confident	75.5	Confident	48 Å²	48	67.4 Å²	67.4	22%	0.224	38%	0.383	C	S	.	.			trans	-124.1	149.8	174.2	-70.2	-175.2	-39.1	0	0	109.8	E439 A545 M559 L567 Y571	E439-Q561 PolarHBondContact OE1-NE2 2.93Å; A545-Q561 HydrophobicContact CB-CB 3.95Å; M559-Q561 PolarHBondContact O-N 3.24Å; M559-Q561 VanDerWaalsContact O-N 3.12Å; Q561-L567 WeakPolarHBondContact O-CD2 3.22Å; Q561-Y571 PolarHBondContact N-OH 3.37Å; Q561-Y571 WeakPolarHBondContact O-CE1 3.42Å
562	G	82.8	Confident	76.7	Confident	34 Å²	34	66 Å²	66	35%	0.351	38%	0.375	S	S	.	.	S	Bend	trans	142.3	175	177.2	0	0	0	0	0	112.9	D524	D524-G562 WeakPolarHBondContact OD1-CA 3.43Å
563	T	87.2	Confident	78.1	Confident	44 Å²	44	68.7 Å²	68.7	27%	0.27	38%	0.384	S	S	.	.			trans	-96.3	128.5	-175.7	-58.8	0	0	0	0	111.6	D524 K526 G565 Y566 L567	D524-T563 WeakPolarHBondContact OD1-CB 3.22Å; D524-T563 PolarHBondContact OD1-N 2.82Å; D524-T563 PolarHBondContact OD1-OG1 2.88Å; K526-T563 HydrophobicContact CD-CG2 4.11Å; K526-T563 WeakPolarHBondContact CD-OG1 3.02Å; K526-T563 PolarHBondContact NZ-OG1 2.84Å; T563-G565 PolarHBondContact O-N 2.04Å; T563-Y566 HydrophobicContact CG2-CD2 3.91Å; T563-Y566 HydrophobicContact CG2-CE2 4.17Å; T563-Y566 PolarHBondContact O-N 3.17Å; T563-L567 PolarHBondContact O-N 2.8Å
564	C	85.2	Confident	79.7	Confident	86 Å²	86	62.7 Å²	62.7	58%	0.581	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	130.3	176.5	-62.5	0	0	0	0	111.3	L600	C564-L600 HydrophobicContact CB-CD2 3.88Å
565	G	90.3	Very high	81.2	Confident	17 Å²	17	59.8 Å²	59.8	18%	0.175	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.5	-27.6	-172.2	0	0	0	0	0	113.5	T563 V588	T563-G565 PolarHBondContact O-N 2.04Å; G565-V588 WeakPolarHBondContact O-CG1 3.23Å
566	Y	95	Very high	82.7	Confident	8 Å²	8	57.4 Å²	57.4	3%	0.031	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-22.1	175.3	-58.9	-92.7	0	0	0	113.1	V525 K526 T527 T563 D568 Y584 S585 V588 V589 E592 P599	V525-Y566 WeakPolarHBondContact O-CD1 3.41Å; K526-Y566 HydrophobicContact CB-CD1 3.89Å; K526-Y566 HydrophobicContact CB-CD2 3.87Å; K526-Y566 HydrophobicContact CB-CE1 3.74Å; K526-Y566 HydrophobicContact CB-CE2 3.67Å; K526-Y566 HydrophobicContact CB-CG 3.96Å; T527-Y566 PolarHBondContact OG1-OH 3.38Å; T527-Y566 VanDerWaalsContact OG1-OH 3.06Å; T563-Y566 HydrophobicContact CG2-CD2 3.91Å; T563-Y566 HydrophobicContact CG2-CE2 4.17Å; T563-Y566 PolarHBondContact O-N 3.17Å; Y566-D568 PolarHBondContact O-N 3.38Å; Y566-Y584 WeakPolarHBondContact O-CD1 3.44Å; Y566-S585 WeakPolarHBondContact O-CA 3.37Å; Y566-S585 PolarHBondContact O-OG 2.83Å; Y566-V588 HydrophobicContact CD1-CB 3.76Å; Y566-V588 HydrophobicContact CD1-CG1 3.65Å; Y566-V588 HydrophobicContact CE1-CB 4.21Å; Y566-V588 HydrophobicContact CE1-CG1 3.76Å; Y566-V588 HydrophobicContact CG-CG1 4.28Å; Y566-V589 HydrophobicContact CD1-CG2 4.47Å; Y566-V589 HydrophobicContact CE1-CG2 4.14Å; Y566-E592 WeakPolarHBondContact CE1-OE2 3.12Å; Y566-E592 PolarHBondContact OH-OE1 2.8Å; Y566-E592 PolarHBondContact OH-OE2 3.08Å; Y566-P599 HydrophobicContact CD2-CG 4.37Å; Y566-P599 HydrophobicContact CE2-CB 4.19Å; Y566-P599 HydrophobicContact CE2-CG 3.57Å
567	L	92.4	Very high	84.3	Confident	42 Å²	42	54.8 Å²	54.8	22%	0.22	31%	0.31	C	S	.	.			trans	-56.2	126.6	-176.2	-79.8	166.9	0	0	0	113	V560 Q561 T563 P569 Y571 Y584	V560-L567 HydrophobicContact CG1-CD2 4.18Å; Q561-L567 WeakPolarHBondContact O-CD2 3.22Å; T563-L567 PolarHBondContact O-N 2.8Å; L567-P569 WeakPolarHBondContact O-CD 3.33Å; L567-Y571 HydrophobicContact CD2-CD1 4.46Å; L567-Y584 WeakPolarHBondContact O-CE1 3.32Å
568	D	94.2	Very high	85.8	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.011	29%	0.285	C	S	.	.			trans	-62.4	119.9	171.2	175.1	10	0	0	0	110.9	Y566 E570 Y571 L572 S581 Y584 R659	Y566-D568 PolarHBondContact O-N 3.38Å; D568-E570 PolarHBondContact O-N 3.43Å; D568-E570 WeakPolarHBondContact OD1-CB 3.38Å; D568-E570 PolarHBondContact OD1-N 2.8Å; D568-Y571 WeakPolarHBondContact O-CB 3.49Å; D568-Y571 PolarHBondContact O-N 3.08Å; D568-L572 PolarHBondContact O-N 2.76Å; D568-S581 VanDerWaalsContact OD2-CA 3.28Å; D568-S581 WeakPolarHBondContact OD2-CA 3.3Å; D568-S581 WeakPolarHBondContact OD2-CB 3.3Å; D568-S581 PolarHBondContact OD2-OG 3.47Å; D568-Y584 HydrophobicContact CB-CD1 4.15Å; D568-Y584 HydrophobicContact CB-CG 4.09Å; D568-R659 IonicContact OD1-CZ 3.72Å; D568-R659 IonicContact OD1-NH1 3.11Å; D568-R659 PolarHBondContact OD1-NH1 3.14Å; D568-R659 IonicContact OD1-NH2 2.83Å; D568-R659 PolarHBondContact OD1-NH2 3.42Å; D568-R659 IonicContact OD2-CZ 3.78Å; D568-R659 IonicContact OD2-NH1 2.86Å; D568-R659 PolarHBondContact OD2-NH1 3.09Å; D568-R659 IonicContact OD2-NH2 3.05Å
569	P	92.3	Very high	87	Confident	38 Å²	38	53.3 Å²	53.3	25%	0.247	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-33.1	177.7	-24.3	34.1	0	0	0	113.6	L567 L572 Q573 Y584 M654	L567-P569 WeakPolarHBondContact O-CD 3.33Å; P569-L572 PolarHBondContact O-N 3.2Å; P569-Q573 WeakPolarHBondContact O-CB 3.43Å; P569-Q573 PolarHBondContact O-N 3Å; P569-Q573 VanDerWaalsContact O-N 3.09Å; P569-Y584 HydrophobicContact CG-CE2 4.17Å; P569-M654 HydrophobicContact CB-CE 3.56Å; P569-M654 HydrophobicContact CB-SD 4.39Å; P569-M654 HydrophobicContact CG-CE 3.95Å; P569-M654 HydrophobicContact CG-SD 4.13Å
570	E	91.2	Very high	88.2	Confident	47 Å²	47	49 Å²	49	22%	0.22	27%	0.274	C	S	.	.	H	α-helix	trans	-68.8	-45.1	177.6	-173.3	177.2	161	0	0	110.1	D568 L572 Q573 T574 S656 R659	D568-E570 PolarHBondContact O-N 3.43Å; D568-E570 WeakPolarHBondContact OD1-CB 3.38Å; D568-E570 PolarHBondContact OD1-N 2.8Å; E570-L572 VanDerWaalsContact C-N 3.31Å; E570-L572 PolarHBondContact O-N 3.19Å; E570-Q573 PolarHBondContact O-N 2.88Å; E570-Q573 VanDerWaalsContact O-N 3.07Å; E570-T574 HydrophobicContact CG-CG2 4.08Å; E570-T574 WeakPolarHBondContact O-CB 2.98Å; E570-T574 WeakPolarHBondContact O-CG2 3.41Å; E570-T574 PolarHBondContact O-N 3.14Å; E570-T574 PolarHBondContact O-OG1 2.91Å; E570-S656 VanDerWaalsContact CD-OG 3.28Å; E570-S656 WeakPolarHBondContact OE1-CB 3.42Å; E570-S656 PolarHBondContact OE1-OG 2.8Å; E570-S656 WeakPolarHBondContact OE2-CA 3.24Å; E570-S656 WeakPolarHBondContact OE2-CB 3.34Å; E570-S656 PolarHBondContact OE2-N 3.08Å; E570-S656 PolarHBondContact OE2-OG 3.25Å; E570-R659 IonicContact OE2-NH2 3.36Å
571	Y	90.2	Very high	89.1	Confident	8 Å²	8	47 Å²	47	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-58.1	-43.2	172.4	175	-144.6	0	0	0	112.2	T558 M559 V560 Q561 L567 D568 Q573 C575 Q576 L577	T558-Y571 VanDerWaalsContact OG1-CE2 3.24Å; T558-Y571 WeakPolarHBondContact OG1-CE2 3.22Å; T558-Y571 PolarHBondContact OG1-OH 3.02Å; M559-Y571 PolarHBondContact O-OH 3.15Å; V560-Y571 WeakPolarHBondContact CA-OH 3.2Å; V560-Y571 HydrophobicContact CG1-CD1 4.37Å; V560-Y571 HydrophobicContact CG1-CE1 4.03Å; V560-Y571 HydrophobicContact CG2-CE2 4.17Å; Q561-Y571 PolarHBondContact N-OH 3.37Å; Q561-Y571 WeakPolarHBondContact O-CE1 3.42Å; L567-Y571 HydrophobicContact CD2-CD1 4.46Å; D568-Y571 WeakPolarHBondContact O-CB 3.49Å; D568-Y571 PolarHBondContact O-N 3.08Å; Y571-Q573 PolarHBondContact O-N 3.19Å; Y571-C575 VanDerWaalsContact O-CA 3.26Å; Y571-C575 WeakPolarHBondContact O-CA 3.4Å; Y571-C575 PolarHBondContact O-N 3.32Å; Y571-Q576 WeakPolarHBondContact CD2-O 3.46Å; Y571-L577 HydrophobicContact CD1-CD1 3.84Å; Y571-L577 HydrophobicContact CD2-CB 4.14Å; Y571-L577 HydrophobicContact CD2-CD1 4.49Å; Y571-L577 HydrophobicContact CE1-CB 4.43Å; Y571-L577 HydrophobicContact CE1-CD1 3.71Å; Y571-L577 HydrophobicContact CE2-CB 3.72Å; Y571-L577 HydrophobicContact CE2-CD1 4.42Å; Y571-L577 HydrophobicContact CG-CD1 4.22Å
572	L	88.1	Confident	90	Very high	104 Å²	104	44.8 Å²	44.8	55%	0.545	25%	0.251	S	S	.	.	H	α-helix	trans	-60.4	-32	177.1	-175.4	65.5	0	0	0	112.2	V560 D568 P569 E570	V560-L572 HydrophobicContact CG1-CD1 3.96Å; D568-L572 PolarHBondContact O-N 2.76Å; P569-L572 PolarHBondContact O-N 3.2Å; E570-L572 VanDerWaalsContact C-N 3.31Å; E570-L572 PolarHBondContact O-N 3.19Å
573	Q	87.5	Confident	90.8	Very high	168 Å²	168	43.1 Å²	43.1	79%	0.785	24%	0.235	S	C	*	.	H	α-helix	trans	-86.3	-42.5	-179.1	-175.7	177.1	1.5	0	0	113.1	P569 E570 Y571	P569-Q573 WeakPolarHBondContact O-CB 3.43Å; P569-Q573 PolarHBondContact O-N 3Å; P569-Q573 VanDerWaalsContact O-N 3.09Å; E570-Q573 PolarHBondContact O-N 2.88Å; E570-Q573 VanDerWaalsContact O-N 3.07Å; Y571-Q573 PolarHBondContact O-N 3.19Å
574	T	86.3	Confident	91.3	Very high	54 Å²	54	41.7 Å²	41.7	33%	0.331	22%	0.224	S	C	.	.	H	α-helix	trans	-89.7	-19.6	-174.2	64.3	0	0	0	0	112.8	E570 Q576	E570-T574 HydrophobicContact CG-CG2 4.08Å; E570-T574 WeakPolarHBondContact O-CB 2.98Å; E570-T574 WeakPolarHBondContact O-CG2 3.41Å; E570-T574 PolarHBondContact O-N 3.14Å; E570-T574 PolarHBondContact O-OG1 2.91Å; T574-Q576 PolarHBondContact O-N 3.13Å; T574-Q576 PolarHBondContact OG1-N 2.82Å; T574-Q576 VanDerWaalsContact OG1-N 3.14Å
575	C	84.2	Confident	91.9	Very high	44 Å²	44	38 Å²	38	30%	0.297	20%	0.199	S	C	.	.			trans	57.6	19.6	-167.3	-60.1	0	0	0	0	113.4	V557 T558 V560 Y571	V557-C575 HydrophobicContact CG1-CB 4.1Å; T558-C575 PolarHBondContact N-O 2.79Å; T558-C575 PolarHBondContact OG1-O 2.94Å; V560-C575 HydrophobicContact CG2-CB 4.5Å; Y571-C575 VanDerWaalsContact O-CA 3.26Å; Y571-C575 WeakPolarHBondContact O-CA 3.4Å; Y571-C575 PolarHBondContact O-N 3.32Å
576	Q	85.8	Confident	92.3	Very high	81 Å²	81	37.1 Å²	37.1	38%	0.379	19%	0.191	S	C	.	.			trans	-106.8	108.1	178.6	-63.1	-179.1	-15.2	0	0	109.5	F556 Y571 T574	F556-Q576 HydrophobicContact CB-CG 4.21Å; Y571-Q576 WeakPolarHBondContact CD2-O 3.46Å; T574-Q576 PolarHBondContact O-N 3.13Å; T574-Q576 PolarHBondContact OG1-N 2.82Å; T574-Q576 VanDerWaalsContact OG1-N 3.14Å
577	L	87.5	Confident	92.4	Very high	8 Å²	8	36.8 Å²	36.8	4%	0.042	19%	0.189	C	C	.	.			trans	-78.6	125.9	174.5	-175.1	67.6	0	0	0	108.9	L521 I547 T558 Y571	L521-L577 HydrophobicContact CB-CD2 4.05Å; L521-L577 HydrophobicContact CB-CG 4.33Å; L521-L577 HydrophobicContact CD1-CD2 4.47Å; L521-L577 HydrophobicContact CD1-CG 4.11Å; L521-L577 VanDerWaalsContact CD1-O 3.23Å; L521-L577 WeakPolarHBondContact CD1-O 3.27Å; I547-L577 HydrophobicContact CD1-CB 4.12Å; I547-L577 HydrophobicContact CD1-CD2 3.87Å; I547-L577 HydrophobicContact CD1-CG 4.44Å; I547-L577 HydrophobicContact CG1-CD2 3.99Å; T558-L577 HydrophobicContact CG2-CB 4.47Å; Y571-L577 HydrophobicContact CD1-CD1 3.84Å; Y571-L577 HydrophobicContact CD2-CB 4.14Å; Y571-L577 HydrophobicContact CD2-CD1 4.49Å; Y571-L577 HydrophobicContact CE1-CB 4.43Å; Y571-L577 HydrophobicContact CE1-CD1 3.71Å; Y571-L577 HydrophobicContact CE2-CB 3.72Å; Y571-L577 HydrophobicContact CE2-CD1 4.42Å; Y571-L577 HydrophobicContact CG-CD1 4.22Å
578	T	90.2	Very high	92.7	Very high	33 Å²	33	34.8 Å²	34.8	20%	0.202	18%	0.179	C	C	.	.			trans	-125.6	168.7	177.1	66.7	0	0	0	0	110.2	K580 S581	T578-K580 PolarHBondContact O-N 2.8Å; T578-K580 VanDerWaalsContact O-N 3.17Å; T578-K580 WeakPolarHBondContact OG1-CB 3.35Å; T578-K580 PolarHBondContact OG1-N 3.07Å; T578-S581 PolarHBondContact N-OG 2.83Å; T578-S581 WeakPolarHBondContact O-CB 3.31Å; T578-S581 PolarHBondContact O-N 3.15Å; T578-S581 PolarHBondContact OG1-N 2.77Å; T578-S581 PolarHBondContact OG1-OG 2.03Å
579	E	92.8	Very high	92.9	Very high	83 Å²	83	34.7 Å²	34.7	39%	0.388	18%	0.178	S	C	.	.	H	α-helix	trans	-58.3	-26	170.7	71.5	-77	-177.9	0	0	112	H513 L521 S581 D582 V583	H513-E579 HydrophobicContact CB-CB 4.34Å; H513-E579 PolarHBondContact CE1-O 3.03Å; L521-E579 HydrophobicContact CD2-CB 3.83Å; E579-S581 VanDerWaalsContact C-N 3.3Å; E579-S581 PolarHBondContact O-N 3.06Å; E579-D582 PolarHBondContact O-N 2.95Å; E579-V583 WeakPolarHBondContact O-CG2 3.44Å; E579-V583 PolarHBondContact O-N 3.41Å
580	K	95.8	Very high	93.1	Very high	37 Å²	37	32.9 Å²	32.9	16%	0.161	17%	0.167	C	C	.	.	H	α-helix	trans	-73.8	-20	177.3	-57.5	-61.5	-175.2	166	0	113.1	T578 V583 Y584 R659 P660	T578-K580 PolarHBondContact O-N 2.8Å; T578-K580 VanDerWaalsContact O-N 3.17Å; T578-K580 WeakPolarHBondContact OG1-CB 3.35Å; T578-K580 PolarHBondContact OG1-N 3.07Å; K580-V583 HydrophobicContact CD-CG2 4.47Å; K580-V583 PolarHBondContact O-N 3.14Å; K580-Y584 PolarHBondContact O-N 2.91Å; K580-Y584 VanDerWaalsContact O-N 3.08Å; K580-R659 HydrophobicContact CD-CB 4.22Å; K580-R659 PolarHBondContact NZ-O 2.93Å; K580-R659 PolarHBondContact O-NH1 3.32Å; K580-P660 PolarHBondContact NZ-O 3.34Å
581	S	95.1	Very high	93.3	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.014	16%	0.157	C	C	.	.	H	α-helix	trans	-73.1	-35.9	172.6	-54.5	0	0	0	0	111.8	D568 T578 E579 V583 Y584 S585	D568-S581 VanDerWaalsContact OD2-CA 3.28Å; D568-S581 WeakPolarHBondContact OD2-CA 3.3Å; D568-S581 WeakPolarHBondContact OD2-CB 3.3Å; D568-S581 PolarHBondContact OD2-OG 3.47Å; T578-S581 PolarHBondContact N-OG 2.83Å; T578-S581 WeakPolarHBondContact O-CB 3.31Å; T578-S581 PolarHBondContact O-N 3.15Å; T578-S581 PolarHBondContact OG1-N 2.77Å; T578-S581 PolarHBondContact OG1-OG 2.03Å; E579-S581 VanDerWaalsContact C-N 3.3Å; E579-S581 PolarHBondContact O-N 3.06Å; S581-V583 VanDerWaalsContact C-N 3.34Å; S581-Y584 PolarHBondContact O-N 2.79Å; S581-S585 PolarHBondContact O-N 2.82Å; S581-S585 VanDerWaalsContact O-N 3.09Å; S581-S585 PolarHBondContact O-OG 2.82Å
582	D	97	Very high	93.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.5	-37.9	170.3	-74.3	-20.8	0	0	0	111.1	H513 H522 G523 V525 E579 S585 F586	H513-D582 IonicContact CD2-OD2 3.58Å; H513-D582 IonicContact CE1-OD2 2.68Å; H513-D582 IonicContact NE2-OD2 3.18Å; H513-D582 PolarHBondContact NE2-OD2 3.46Å; H522-D582 PolarHBondContact N-OD2 2.83Å; G523-D582 PolarHBondContact N-OD1 3.47Å; V525-D582 HydrophobicContact CG2-CB 4.09Å; E579-D582 PolarHBondContact O-N 2.95Å; D582-S585 PolarHBondContact O-N 3.45Å; D582-F586 WeakPolarHBondContact O-CB 3.13Å; D582-F586 PolarHBondContact O-N 2.8Å
583	V	98.2	Very high	93.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.4	-44.8	174.6	176	0	0	0	0	111.1	E579 K580 S581 F586 G587 C651 R659 P660 M662 V665	E579-V583 WeakPolarHBondContact O-CG2 3.44Å; E579-V583 PolarHBondContact O-N 3.41Å; K580-V583 HydrophobicContact CD-CG2 4.47Å; K580-V583 PolarHBondContact O-N 3.14Å; S581-V583 VanDerWaalsContact C-N 3.34Å; V583-F586 PolarHBondContact O-N 2.77Å; V583-G587 PolarHBondContact O-N 2.8Å; V583-C651 HydrophobicContact CG1-CB 3.96Å; V583-C651 WeakPolarHBondContact O-CB 3.28Å; V583-R659 HydrophobicContact CG1-CB 4.11Å; V583-P660 HydrophobicContact CG1-CG 4.28Å; V583-P660 WeakPolarHBondContact CG2-O 3.39Å; V583-M662 HydrophobicContact CB-SD 4.28Å; V583-M662 HydrophobicContact CG2-CG 3.72Å; V583-M662 HydrophobicContact CG2-SD 3.75Å; V583-V665 HydrophobicContact CG1-CG2 4.39Å
584	Y	98.2	Very high	93.9	Very high	13 Å²	13	17.6 Å²	17.6	5%	0.051	9%	0.093	C	C	.	.	H	α-helix	trans	-59.2	-50.5	175.4	-176.8	-82	0	0	0	111.6	Y566 L567 D568 P569 K580 S581 F586 G587 V588 C651 L652	Y566-Y584 WeakPolarHBondContact O-CD1 3.44Å; L567-Y584 WeakPolarHBondContact O-CE1 3.32Å; D568-Y584 HydrophobicContact CB-CD1 4.15Å; D568-Y584 HydrophobicContact CB-CG 4.09Å; P569-Y584 HydrophobicContact CG-CE2 4.17Å; K580-Y584 PolarHBondContact O-N 2.91Å; K580-Y584 VanDerWaalsContact O-N 3.08Å; S581-Y584 PolarHBondContact O-N 2.79Å; Y584-F586 PolarHBondContact O-N 2.68Å; Y584-G587 WeakPolarHBondContact O-CA 3.23Å; Y584-G587 PolarHBondContact O-N 3.01Å; Y584-V588 HydrophobicContact CD1-CG2 4.43Å; Y584-V588 HydrophobicContact CE1-CG2 4.12Å; Y584-V588 PolarHBondContact O-N 3.46Å; Y584-C651 WeakPolarHBondContact CA-O 3.49Å; Y584-L652 HydrophobicContact CD1-CD2 4.18Å; Y584-L652 HydrophobicContact CD2-CD2 3.94Å; Y584-L652 HydrophobicContact CE1-CD2 3.92Å; Y584-L652 HydrophobicContact CE2-CB 4.22Å; Y584-L652 HydrophobicContact CE2-CD2 3.66Å; Y584-L652 HydrophobicContact CG-CD2 4.18Å
585	S	98	Very high	94.2	Very high	8 Å²	8	15.3 Å²	15.3	6%	0.056	8%	0.079	C	C	.	.	H	α-helix	trans	-58.6	-38.3	178.6	-57.3	0	0	0	0	111.5	Y566 S581 D582 V588 V589	Y566-S585 WeakPolarHBondContact O-CA 3.37Å; Y566-S585 PolarHBondContact O-OG 2.83Å; S581-S585 PolarHBondContact O-N 2.82Å; S581-S585 VanDerWaalsContact O-N 3.09Å; S581-S585 PolarHBondContact O-OG 2.82Å; D582-S585 PolarHBondContact O-N 3.45Å; S585-V588 WeakPolarHBondContact O-CB 3.23Å; S585-V588 PolarHBondContact O-N 2.77Å; S585-V589 PolarHBondContact O-N 3.33Å
586	F	98.4	Very high	94.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-69.2	-33.9	174.2	-164.5	-93.4	0	0	0	112.8	V502 A505 A506 L509 V525 D582 V583 Y584 V588 V589 I590 M662 V665 I669	V502-F586 HydrophobicContact CG1-CE1 3.77Å; V502-F586 HydrophobicContact CG1-CE2 4.39Å; V502-F586 HydrophobicContact CG1-CZ 3.39Å; V502-F586 WeakPolarHBondContact O-CZ 3.05Å; A505-F586 HydrophobicContact CB-CE2 4.08Å; A506-F586 HydrophobicContact CB-CE1 4.03Å; A506-F586 HydrophobicContact CB-CE2 4.22Å; A506-F586 HydrophobicContact CB-CZ 3.57Å; L509-F586 HydrophobicContact CD1-CD2 3.45Å; L509-F586 VanDerWaalsContact CD1-CD2 3.45Å; L509-F586 HydrophobicContact CD1-CE2 3.98Å; L509-F586 HydrophobicContact CD1-CG 4.27Å; V525-F586 HydrophobicContact CG1-CB 4.37Å; V525-F586 HydrophobicContact CG1-CD2 4.17Å; D582-F586 WeakPolarHBondContact O-CB 3.13Å; D582-F586 PolarHBondContact O-N 2.8Å; V583-F586 PolarHBondContact O-N 2.77Å; Y584-F586 PolarHBondContact O-N 2.68Å; F586-V588 PolarHBondContact O-N 2.72Å; F586-V589 WeakPolarHBondContact O-CA 3.44Å; F586-V589 WeakPolarHBondContact O-CB 3.47Å; F586-V589 PolarHBondContact O-N 2.03Å; F586-I590 HydrophobicContact CD1-CD1 3.89Å; F586-I590 HydrophobicContact CD1-CG1 4.09Å; F586-I590 HydrophobicContact CE1-CD1 3.9Å; F586-I590 HydrophobicContact CE1-CG1 3.95Å; F586-I590 WeakPolarHBondContact O-CG1 3.29Å; F586-I590 PolarHBondContact O-N 3.22Å; F586-M662 HydrophobicContact CB-CE 4.18Å; F586-M662 HydrophobicContact CB-SD 3.96Å; F586-M662 HydrophobicContact CD1-CE 3.75Å; F586-M662 HydrophobicContact CD1-SD 4.31Å; F586-M662 HydrophobicContact CD2-CE 3.86Å; F586-M662 HydrophobicContact CE1-CE 4.03Å; F586-M662 HydrophobicContact CE2-CE 4.14Å; F586-M662 HydrophobicContact CG-CE 3.64Å; F586-M662 HydrophobicContact CG-SD 4.07Å; F586-M662 HydrophobicContact CZ-CE 4.21Å; F586-V665 HydrophobicContact CD1-CG1 3.74Å; F586-V665 HydrophobicContact CE1-CG1 3.64Å; F586-I669 HydrophobicContact CE1-CD1 3.78Å; F586-I669 HydrophobicContact CZ-CD1 4.34Å
587	G	98	Very high	94.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-54.9	-40.9	169.2	0	0	0	0	0	112	V583 Y584 I590 L591	V583-G587 PolarHBondContact O-N 2.8Å; Y584-G587 WeakPolarHBondContact O-CA 3.23Å; Y584-G587 PolarHBondContact O-N 3.01Å; G587-I590 WeakPolarHBondContact O-CB 3.46Å; G587-I590 PolarHBondContact O-N 3.31Å; G587-L591 WeakPolarHBondContact O-CG 3.5Å; G587-L591 PolarHBondContact O-N 3.31Å
588	V	97.8	Very high	94.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65.4	-39.3	174.5	-175.9	0	0	0	0	111.9	G565 Y566 Y584 S585 F586 I590 L591 E592 P599 S612 L652	G565-V588 WeakPolarHBondContact O-CG1 3.23Å; Y566-V588 HydrophobicContact CD1-CB 3.76Å; Y566-V588 HydrophobicContact CD1-CG1 3.65Å; Y566-V588 HydrophobicContact CE1-CB 4.21Å; Y566-V588 HydrophobicContact CE1-CG1 3.76Å; Y566-V588 HydrophobicContact CG-CG1 4.28Å; Y584-V588 HydrophobicContact CD1-CG2 4.43Å; Y584-V588 HydrophobicContact CE1-CG2 4.12Å; Y584-V588 PolarHBondContact O-N 3.46Å; S585-V588 WeakPolarHBondContact O-CB 3.23Å; S585-V588 PolarHBondContact O-N 2.77Å; F586-V588 PolarHBondContact O-N 2.72Å; V588-I590 VanDerWaalsContact C-N 3.29Å; V588-I590 PolarHBondContact O-N 3.41Å; V588-L591 WeakPolarHBondContact O-CB 3.25Å; V588-L591 PolarHBondContact O-N 2.9Å; V588-L591 VanDerWaalsContact O-N 3.08Å; V588-E592 PolarHBondContact O-N 2.76Å; V588-P599 HydrophobicContact CG1-CB 3.61Å; V588-S612 WeakPolarHBondContact CG2-OG 3.29Å; V588-L652 HydrophobicContact CG2-CD2 3.72Å
589	V	97.8	Very high	94.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.4	-42.3	173.2	173.4	0	0	0	0	111.2	L480 V525 T527 I530 Y566 S585 F586 L591 E592 I593	L480-V589 HydrophobicContact CD2-CG1 4.29Å; V525-V589 HydrophobicContact CG1-CG2 4.35Å; T527-V589 HydrophobicContact CG2-CB 4.41Å; T527-V589 HydrophobicContact CG2-CG1 3.93Å; T527-V589 HydrophobicContact CG2-CG2 4.23Å; I530-V589 HydrophobicContact CD1-CG1 4.13Å; Y566-V589 HydrophobicContact CD1-CG2 4.47Å; Y566-V589 HydrophobicContact CE1-CG2 4.14Å; S585-V589 PolarHBondContact O-N 3.33Å; F586-V589 WeakPolarHBondContact O-CA 3.44Å; F586-V589 WeakPolarHBondContact O-CB 3.47Å; F586-V589 PolarHBondContact O-N 2.03Å; V589-L591 VanDerWaalsContact C-N 3.33Å; V589-L591 PolarHBondContact O-N 3.18Å; V589-E592 PolarHBondContact O-N 2.81Å; V589-I593 HydrophobicContact CG1-CD1 4.31Å; V589-I593 WeakPolarHBondContact O-CG1 3.45Å; V589-I593 PolarHBondContact O-N 3.06Å
590	I	97.3	Very high	94.5	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-62.8	-40.9	175.2	-61.5	170	0	0	0	110.6	V502 F586 G587 V588 I593 L594 L644 L647 A648 I669	V502-I590 HydrophobicContact CG1-CG1 4.31Å; F586-I590 HydrophobicContact CD1-CD1 3.89Å; F586-I590 HydrophobicContact CD1-CG1 4.09Å; F586-I590 HydrophobicContact CE1-CD1 3.9Å; F586-I590 HydrophobicContact CE1-CG1 3.95Å; F586-I590 WeakPolarHBondContact O-CG1 3.29Å; F586-I590 PolarHBondContact O-N 3.22Å; G587-I590 WeakPolarHBondContact O-CB 3.46Å; G587-I590 PolarHBondContact O-N 3.31Å; V588-I590 VanDerWaalsContact C-N 3.29Å; V588-I590 PolarHBondContact O-N 3.41Å; I590-I593 PolarHBondContact O-N 3.18Å; I590-L594 HydrophobicContact CG2-CD1 4.06Å; I590-L594 HydrophobicContact CG2-CG 4.47Å; I590-L594 PolarHBondContact O-N 2.9Å; I590-L644 HydrophobicContact CG2-CD1 3.72Å; I590-L644 HydrophobicContact CG2-CD2 4.03Å; I590-L644 HydrophobicContact CG2-CG 3.51Å; I590-L647 HydrophobicContact CD1-CD2 4.27Å; I590-L647 HydrophobicContact CD1-CG 4.34Å; I590-A648 HydrophobicContact CB-CB 4.09Å; I590-A648 HydrophobicContact CG2-CB 3.77Å; I590-I669 HydrophobicContact CD1-CD1 4.19Å
591	L	95.4	Very high	93.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.9	-42.4	177.8	-67.5	-165.8	0	0	0	113.5	G587 V588 V589 I593 L594 T595 L611 F615 A648 L652	G587-L591 WeakPolarHBondContact O-CG 3.5Å; G587-L591 PolarHBondContact O-N 3.31Å; V588-L591 WeakPolarHBondContact O-CB 3.25Å; V588-L591 PolarHBondContact O-N 2.9Å; V588-L591 VanDerWaalsContact O-N 3.08Å; V589-L591 VanDerWaalsContact C-N 3.33Å; V589-L591 PolarHBondContact O-N 3.18Å; L591-I593 PolarHBondContact O-N 3.36Å; L591-L594 PolarHBondContact O-N 2.93Å; L591-T595 WeakPolarHBondContact O-CB 3.47Å; L591-T595 WeakPolarHBondContact O-CG2 3.43Å; L591-T595 PolarHBondContact O-N 2.03Å; L591-T595 PolarHBondContact O-OG1 2.64Å; L591-L611 HydrophobicContact CB-CD2 3.95Å; L591-L611 HydrophobicContact CB-CG 4.31Å; L591-L611 HydrophobicContact CD1-CG 4.29Å; L591-F615 HydrophobicContact CD1-CB 3.62Å; L591-F615 HydrophobicContact CD1-CD1 3.87Å; L591-F615 HydrophobicContact CD1-CD2 4.45Å; L591-F615 HydrophobicContact CD1-CG 3.72Å; L591-F615 HydrophobicContact CD2-CB 4.24Å; L591-F615 HydrophobicContact CD2-CD1 3.54Å; L591-F615 HydrophobicContact CD2-CD2 3.49Å; L591-F615 VanDerWaalsContact CD2-CD2 3.49Å; L591-F615 HydrophobicContact CD2-CE1 3.63Å; L591-F615 HydrophobicContact CD2-CE2 3.57Å; L591-F615 HydrophobicContact CD2-CG 3.46Å; L591-F615 VanDerWaalsContact CD2-CG 3.46Å; L591-F615 HydrophobicContact CD2-CZ 3.64Å; L591-F615 HydrophobicContact CG-CD1 4.32Å; L591-F615 HydrophobicContact CG-CG 4.25Å; L591-A648 HydrophobicContact CD2-CB 3.64Å; L591-A648 HydrophobicContact CG-CB 4.39Å; L591-L652 HydrophobicContact CD1-CD1 3.37Å; L591-L652 HydrophobicContact CD2-CD1 4.25Å; L591-L652 HydrophobicContact CG-CD1 3.79Å
592	E	94.3	Very high	92.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58.4	-35.2	176.4	-71.2	-173.4	87.2	0	0	111.5	I484 H485 T527 Y566 V588 V589 G596 P599 L611	I484-E592 HydrophobicContact CD1-CB 4.46Å; H485-E592 IonicContact CD2-OE1 3.6Å; H485-E592 IonicContact CE1-OE1 3.14Å; H485-E592 IonicContact NE2-OE1 3.46Å; H485-E592 PolarHBondContact NE2-OE1 3.48Å; T527-E592 WeakPolarHBondContact CG2-OE2 3.33Å; T527-E592 PolarHBondContact OG1-OE1 3.32Å; T527-E592 PolarHBondContact OG1-OE2 3.03Å; T527-E592 VanDerWaalsContact OG1-OE2 3.13Å; Y566-E592 WeakPolarHBondContact CE1-OE2 3.12Å; Y566-E592 PolarHBondContact OH-OE1 2.8Å; Y566-E592 PolarHBondContact OH-OE2 3.08Å; V588-E592 PolarHBondContact O-N 2.76Å; V589-E592 PolarHBondContact O-N 2.81Å; E592-G596 WeakPolarHBondContact O-CA 3.47Å; E592-G596 PolarHBondContact O-N 3.27Å; E592-P599 HydrophobicContact CG-CB 4.48Å; E592-P599 WeakPolarHBondContact OE1-CD 3.42Å; E592-L611 HydrophobicContact CG-CD2 4.37Å
593	I	92.1	Very high	91.4	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-77.4	-37.3	-179.6	-71.2	169.7	0	0	0	112.2	L480 I484 F495 L498 V502 V589 I590 L591 I632	L480-I593 HydrophobicContact CD2-CD1 4.25Å; I484-I593 HydrophobicContact CD1-CD1 4.25Å; I484-I593 HydrophobicContact CD1-CG1 3.52Å; I484-I593 HydrophobicContact CG1-CG1 4.36Å; F495-I593 HydrophobicContact CD2-CG2 4.41Å; F495-I593 HydrophobicContact CE2-CG2 3.75Å; L498-I593 HydrophobicContact CB-CG2 4.07Å; L498-I593 HydrophobicContact CD1-CG2 4.3Å; V502-I593 HydrophobicContact CB-CD1 4.41Å; V502-I593 HydrophobicContact CG2-CD1 2.92Å; V502-I593 HydrophobicContact CG2-CG1 4.37Å; V589-I593 HydrophobicContact CG1-CD1 4.31Å; V589-I593 WeakPolarHBondContact O-CG1 3.45Å; V589-I593 PolarHBondContact O-N 3.06Å; I590-I593 PolarHBondContact O-N 3.18Å; L591-I593 PolarHBondContact O-N 3.36Å; I593-I632 WeakPolarHBondContact O-CD1 3.32Å
594	L	92.4	Very high	89.9	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-68.7	-36.8	175.2	-79.2	171.8	0	0	0	112.4	F495 I590 L591 L628 D629 L641 L644 A645	F495-L594 HydrophobicContact CZ-CD2 4.46Å; I590-L594 HydrophobicContact CG2-CD1 4.06Å; I590-L594 HydrophobicContact CG2-CG 4.47Å; I590-L594 PolarHBondContact O-N 2.9Å; L591-L594 PolarHBondContact O-N 2.93Å; L594-L628 HydrophobicContact CB-CD2 4.2Å; L594-L628 HydrophobicContact CD2-CD2 3.98Å; L594-L628 WeakPolarHBondContact O-CA 3.22Å; L594-D629 PolarHBondContact O-N 3.15Å; L594-L641 HydrophobicContact CD2-CD2 4.09Å; L594-L644 HydrophobicContact CD1-CB 4.49Å; L594-L644 HydrophobicContact CD1-CD2 4.4Å; L594-L644 HydrophobicContact CD1-CG 4.23Å; L594-L644 HydrophobicContact CD2-CB 4.3Å; L594-L644 HydrophobicContact CD2-CD2 3.77Å; L594-L644 HydrophobicContact CD2-CG 4.29Å; L594-L644 HydrophobicContact CG-CD2 3.93Å; L594-L644 HydrophobicContact CG-CG 4.31Å; L594-A645 HydrophobicContact CD1-CB 4.02Å
595	T	91.2	Very high	88.6	Confident	7 Å²	7	36.7 Å²	36.7	4%	0.043	20%	0.201	C	C	.	.	H	α-helix	trans	-105.1	-21.8	-168.5	66.1	0	0	0	0	113.8	L591 Q597 L611 M627	L591-T595 WeakPolarHBondContact O-CB 3.47Å; L591-T595 WeakPolarHBondContact O-CG2 3.43Å; L591-T595 PolarHBondContact O-N 2.03Å; L591-T595 PolarHBondContact O-OG1 2.64Å; T595-Q597 PolarHBondContact O-N 3.49Å; T595-Q597 PolarHBondContact OG1-N 2.87Å; T595-L611 HydrophobicContact CG2-CD1 4.38Å; T595-M627 WeakPolarHBondContact CA-O 3.42Å; T595-M627 WeakPolarHBondContact CB-O 3.41Å; T595-M627 HydrophobicContact CG2-CB 4.25Å; T595-M627 HydrophobicContact CG2-CE 4.49Å; T595-M627 WeakPolarHBondContact CG2-O 3.32Å
596	G	88.7	Confident	87.2	Confident	11 Å²	11	43.1 Å²	43.1	11%	0.113	23%	0.23	C	C	.	.			trans	63.8	16.9	-171.3	0	0	0	0	0	113.6	R489 E592	R489-G596 PolarHBondContact NH2-O 3.08Å; E592-G596 WeakPolarHBondContact O-CA 3.47Å; E592-G596 PolarHBondContact O-N 3.27Å
597	Q	90.2	Very high	85.6	Confident	56 Å²	56	47.4 Å²	47.4	26%	0.262	25%	0.253	S	S	.	.			trans	-105.5	152	-175.5	-62.4	-178.5	36	0	0	111.7	H485 T595 L611	H485-Q597 PolarHBondContact CE1-O 2.81Å; T595-Q597 PolarHBondContact O-N 3.49Å; T595-Q597 PolarHBondContact OG1-N 2.87Å; Q597-L611 HydrophobicContact CB-CD1 4.09Å; Q597-L611 HydrophobicContact CB-CD2 4.4Å
598	M	89.9	Confident	84.2	Confident	82 Å²	82	52.8 Å²	52.8	40%	0.404	28%	0.278	S	S	.	.			trans	-65.3	142.2	172.6	-68.7	-71.6	-75.4	0	0	110.7	F481 H485 L600	F481-M598 HydrophobicContact CE2-CE 3.75Å; F481-M598 HydrophobicContact CE2-SD 3.57Å; F481-M598 VanDerWaalsContact CE2-SD 3.57Å; F481-M598 HydrophobicContact CZ-CE 3.65Å; F481-M598 HydrophobicContact CZ-SD 3.59Å; F481-M598 VanDerWaalsContact CZ-SD 3.59Å; H485-M598 HydrophobicContact CB-SD 4.42Å; M598-L600 PolarHBondContact O-N 3.22Å
599	P	90.9	Very high	83.4	Confident	6 Å²	6	55.4 Å²	55.4	4%	0.039	29%	0.289	C	S	.	.	S	Bend	trans	-66.2	-28.3	-177.3	28.6	-37.7	0	0	0	112.7	Y566 V588 E592 L611	Y566-P599 HydrophobicContact CD2-CG 4.37Å; Y566-P599 HydrophobicContact CE2-CB 4.19Å; Y566-P599 HydrophobicContact CE2-CG 3.57Å; V588-P599 HydrophobicContact CG1-CB 3.61Å; E592-P599 HydrophobicContact CG-CB 4.48Å; E592-P599 WeakPolarHBondContact OE1-CD 3.42Å; P599-L611 WeakPolarHBondContact O-CB 3.33Å; P599-L611 PolarHBondContact O-N 3.1Å
600	L	87	Confident	83	Confident	74 Å²	74	56.6 Å²	56.6	39%	0.387	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-131.9	124.7	175.5	-169.4	70.9	0	0	0	110	C564 M598 K609	C564-L600 HydrophobicContact CB-CD2 3.88Å; M598-L600 PolarHBondContact O-N 3.22Å; L600-K609 CarbonylContact C-O 3.58Å; L600-K609 WeakPolarHBondContact CA-O 3.49Å; L600-K609 HydrophobicContact CD1-CB 4.42Å
601	K	82	Confident	82.7	Confident	79 Å²	79	56.7 Å²	56.7	34%	0.343	30%	0.298	S	S	.	.			trans	-97.4	140.1	172.6	-59.9	174.9	-174	168.3	0	109.6	K609	K601-K609 PolarHBondContact N-O 3.05Å; K601-K609 WeakPolarHBondContact O-CG 3.03Å
602	L	72.7	Confident	82.6	Confident	163 Å²	163	56.7 Å²	56.7	85%	0.853	30%	0.298	S	S	*	.	S	Bend	trans	-75.7	-27.8	177.1	-67.6	171.5	0	0	0	112.3
603	E	69.9	Low	82.4	Confident	173 Å²	173	58.9 Å²	58.9	81%	0.808	31%	0.314	S	S	*	.	S	Bend	trans	-115.5	145.4	-176.1	-64.2	177.6	179.6	0	0	110.7
604	G	66.4	Low	82.3	Confident	44 Å²	44	59.8 Å²	59.8	45%	0.454	32%	0.32	S	S	.	.	S	Bend	trans	126.2	174.6	-177.6	0	0	0	0	0	113.2	K609	G604-K609 VanDerWaalsContact O-CE 3.27Å; G604-K609 WeakPolarHBondContact O-CE 3.48Å
605	S	70.1	Confident	82.4	Confident	62 Å²	62	59.8 Å²	59.8	43%	0.434	32%	0.32	S	S	.	.			trans	-67.1	155.4	169.5	69.3	0	0	0	0	110.4	L607 Q608 K609	S605-L607 PolarHBondContact O-N 3.36Å; S605-Q608 CarbonylContact O-C 3.54Å; S605-Q608 WeakPolarHBondContact O-CA 3.41Å; S605-Q608 WeakPolarHBondContact O-CB 3.01Å; S605-Q608 PolarHBondContact O-N 3.04Å; S605-Q608 WeakPolarHBondContact OG-CG 3.23Å; S605-Q608 PolarHBondContact OG-OE1 2.74Å; S605-K609 WeakPolarHBondContact O-CG 3.45Å; S605-K609 PolarHBondContact O-N 3.02Å
606	E	68.8	Low	82.5	Confident	143 Å²	143	62 Å²	62	67%	0.668	33%	0.331	S	S	*	.	H	α-helix	trans	-49.7	-38.3	-178.7	-68.5	-57.6	129.2	0	0	113	K609	E606-K609 PolarHBondContact O-N 3.02Å; E606-K609 IonicContact OE1-NZ 2.81Å; E606-K609 PolarHBondContact OE1-NZ 3.18Å
607	L	65	Low	82.6	Confident	90 Å²	90	64.6 Å²	64.6	47%	0.471	34%	0.343	S	S	.	.	H	α-helix	trans	-69.3	-33.8	177.2	-167	67.3	0	0	0	113.3	S605 S614 L617	S605-L607 PolarHBondContact O-N 3.36Å; L607-S614 PolarHBondContact O-OG 3.1Å; L607-L617 HydrophobicContact CD2-CD1 3.63Å
608	Q	68.1	Low	82.7	Confident	113 Å²	113	62.2 Å²	62.2	53%	0.528	33%	0.333	S	S	.	.	H	α-helix	trans	-81.1	-18	178.3	-71.8	175.5	-17.6	0	0	113.4	S605 S614	S605-Q608 CarbonylContact O-C 3.54Å; S605-Q608 WeakPolarHBondContact O-CA 3.41Å; S605-Q608 WeakPolarHBondContact O-CB 3.01Å; S605-Q608 PolarHBondContact O-N 3.04Å; S605-Q608 WeakPolarHBondContact OG-CG 3.23Å; S605-Q608 PolarHBondContact OG-OE1 2.74Å; Q608-S614 WeakPolarHBondContact CA-OG 3.4Å
609	K	82.3	Confident	82.8	Confident	54 Å²	54	59.6 Å²	59.6	24%	0.235	32%	0.32	C	S	.	.	H	α-helix	trans	-68.6	-41	177.2	-71.7	179.9	-177.7	171.9	0	111.7	L600 K601 G604 S605 E606	L600-K609 CarbonylContact C-O 3.58Å; L600-K609 WeakPolarHBondContact CA-O 3.49Å; L600-K609 HydrophobicContact CD1-CB 4.42Å; K601-K609 PolarHBondContact N-O 3.05Å; K601-K609 WeakPolarHBondContact O-CG 3.03Å; G604-K609 VanDerWaalsContact O-CE 3.27Å; G604-K609 WeakPolarHBondContact O-CE 3.48Å; S605-K609 WeakPolarHBondContact O-CG 3.45Å; S605-K609 PolarHBondContact O-N 3.02Å; E606-K609 PolarHBondContact O-N 3.02Å; E606-K609 IonicContact OE1-NZ 2.81Å; E606-K609 PolarHBondContact OE1-NZ 3.18Å
610	S	88.4	Confident	82.9	Confident	26 Å²	26	68.1 Å²	68.1	18%	0.182	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-86.9	118	177.9	174.1	0	0	0	0	111.1	S612 S613 S614	S610-S612 VanDerWaalsContact C-N 3.28Å; S610-S612 PolarHBondContact O-N 3.45Å; S610-S613 WeakPolarHBondContact CB-OG 3.15Å; S610-S613 PolarHBondContact O-N 2.87Å; S610-S613 PolarHBondContact OG-N 3.27Å; S610-S613 PolarHBondContact OG-OG 2.84Å; S610-S614 PolarHBondContact O-N 2.89Å; S610-S614 PolarHBondContact O-OG 2.84Å
611	L	91.6	Very high	83.1	Confident	2 Å²	2	70.4 Å²	70.4	1%	0.01	37%	0.365	C	S	.	.	H	α-helix	trans	-60.1	-41.7	175.9	-177.7	60.3	0	0	0	111.1	L591 E592 T595 Q597 P599 S613 S614 F615 M627	L591-L611 HydrophobicContact CB-CD2 3.95Å; L591-L611 HydrophobicContact CB-CG 4.31Å; L591-L611 HydrophobicContact CD1-CG 4.29Å; E592-L611 HydrophobicContact CG-CD2 4.37Å; T595-L611 HydrophobicContact CG2-CD1 4.38Å; Q597-L611 HydrophobicContact CB-CD1 4.09Å; Q597-L611 HydrophobicContact CB-CD2 4.4Å; P599-L611 WeakPolarHBondContact O-CB 3.33Å; P599-L611 PolarHBondContact O-N 3.1Å; L611-S613 PolarHBondContact O-N 2.82Å; L611-S614 PolarHBondContact O-N 2.91Å; L611-F615 VanDerWaalsContact O-CB 3.25Å; L611-F615 WeakPolarHBondContact O-CB 3.48Å; L611-F615 PolarHBondContact O-N 2.93Å; L611-M627 HydrophobicContact CD1-CE 3.92Å
612	S	92.5	Very high	83.5	Confident	1 Å²	1	74 Å²	74	1%	0.007	39%	0.388	C	S	.	.	H	α-helix	trans	-60.5	-45.3	178.8	-46.4	0	0	0	0	112	V588 S610 F615 L616	V588-S612 WeakPolarHBondContact CG2-OG 3.29Å; S610-S612 VanDerWaalsContact C-N 3.28Å; S610-S612 PolarHBondContact O-N 3.45Å; S612-F615 PolarHBondContact O-N 3.3Å; S612-L616 WeakPolarHBondContact O-CG 3.35Å; S612-L616 PolarHBondContact O-N 2.92Å
613	S	90.7	Very high	84.4	Confident	46 Å²	46	70 Å²	70	32%	0.322	37%	0.367	S	S	.	.	H	α-helix	trans	-68.4	-41.1	179.7	-54.2	0	0	0	0	112.1	S610 L611 F615 L617	S610-S613 WeakPolarHBondContact CB-OG 3.15Å; S610-S613 PolarHBondContact O-N 2.87Å; S610-S613 PolarHBondContact OG-N 3.27Å; S610-S613 PolarHBondContact OG-OG 2.84Å; L611-S613 PolarHBondContact O-N 2.82Å; S613-F615 VanDerWaalsContact C-N 3.32Å; S613-F615 PolarHBondContact O-N 2.86Å; S613-L617 WeakPolarHBondContact O-CB 3.49Å; S613-L617 PolarHBondContact O-N 2.83Å; S613-L617 VanDerWaalsContact O-N 3.17Å
614	S	90.5	Very high	85.3	Confident	23 Å²	23	62.7 Å²	62.7	16%	0.161	33%	0.333	C	S	.	.	H	α-helix	trans	-61.8	-41.2	174	-66.4	0	0	0	0	111.7	L607 Q608 S610 L611 A618	L607-S614 PolarHBondContact O-OG 3.1Å; Q608-S614 WeakPolarHBondContact CA-OG 3.4Å; S610-S614 PolarHBondContact O-N 2.89Å; S610-S614 PolarHBondContact O-OG 2.84Å; L611-S614 PolarHBondContact O-N 2.91Å; S614-A618 WeakPolarHBondContact O-CB 3.39Å; S614-A618 PolarHBondContact O-N 2.88Å
615	F	93.8	Very high	86.3	Confident	1 Å²	1	65.4 Å²	65.4	0%	0.004	33%	0.334	C	S	.	.	H	α-helix	trans	-65.7	-49.1	178.5	174.3	-98.6	0	0	0	112.9	L591 L611 S612 S613 L617 A618 M619 L624 M627 A645 A648 K649 L652	L591-F615 HydrophobicContact CD1-CB 3.62Å; L591-F615 HydrophobicContact CD1-CD1 3.87Å; L591-F615 HydrophobicContact CD1-CD2 4.45Å; L591-F615 HydrophobicContact CD1-CG 3.72Å; L591-F615 HydrophobicContact CD2-CB 4.24Å; L591-F615 HydrophobicContact CD2-CD1 3.54Å; L591-F615 HydrophobicContact CD2-CD2 3.49Å; L591-F615 VanDerWaalsContact CD2-CD2 3.49Å; L591-F615 HydrophobicContact CD2-CE1 3.63Å; L591-F615 HydrophobicContact CD2-CE2 3.57Å; L591-F615 HydrophobicContact CD2-CG 3.46Å; L591-F615 VanDerWaalsContact CD2-CG 3.46Å; L591-F615 HydrophobicContact CD2-CZ 3.64Å; L591-F615 HydrophobicContact CG-CD1 4.32Å; L591-F615 HydrophobicContact CG-CG 4.25Å; L611-F615 VanDerWaalsContact O-CB 3.25Å; L611-F615 WeakPolarHBondContact O-CB 3.48Å; L611-F615 PolarHBondContact O-N 2.93Å; S612-F615 PolarHBondContact O-N 3.3Å; S613-F615 VanDerWaalsContact C-N 3.32Å; S613-F615 PolarHBondContact O-N 2.86Å; F615-L617 PolarHBondContact O-N 2.99Å; F615-A618 PolarHBondContact O-N 3.16Å; F615-A618 VanDerWaalsContact O-N 3.13Å; F615-M619 HydrophobicContact CD1-CG 4.13Å; F615-M619 HydrophobicContact CD2-CG 4.31Å; F615-M619 HydrophobicContact CE1-CG 3.64Å; F615-M619 HydrophobicContact CE1-SD 4.47Å; F615-M619 HydrophobicContact CE2-CG 3.84Å; F615-M619 HydrophobicContact CE2-SD 4.02Å; F615-M619 HydrophobicContact CG-CG 4.45Å; F615-M619 HydrophobicContact CZ-CE 4.41Å; F615-M619 HydrophobicContact CZ-CG 3.47Å; F615-M619 VanDerWaalsContact CZ-CG 3.47Å; F615-M619 HydrophobicContact CZ-SD 3.76Å; F615-M619 WeakPolarHBondContact O-CG 3.23Å; F615-M619 PolarHBondContact O-N 2.87Å; F615-L624 HydrophobicContact CD2-CD1 4.43Å; F615-L624 HydrophobicContact CE2-CD1 3.67Å; F615-M627 VanDerWaalsContact CA-SD 3.54Å; F615-M627 HydrophobicContact CB-CE 3.99Å; F615-M627 HydrophobicContact CB-SD 4.27Å; F615-M627 HydrophobicContact CD2-SD 4.44Å; F615-A645 HydrophobicContact CE2-CB 4.21Å; F615-A645 HydrophobicContact CZ-CB 4.02Å; F615-A645 WeakPolarHBondContact CZ-O 3.08Å; F615-A648 HydrophobicContact CE1-CB 4.29Å; F615-A648 HydrophobicContact CZ-CB 4.29Å; F615-K649 HydrophobicContact CE1-CB 4.01Å; F615-L652 HydrophobicContact CD1-CD1 4.09Å; F615-L652 HydrophobicContact CE1-CD1 4.47Å
616	L	93.1	Very high	87.1	Confident	52 Å²	52	65.7 Å²	65.7	27%	0.272	34%	0.34	S	S	.	.	H	α-helix	trans	-61.2	-36	178.7	-70.6	173.2	0	0	0	111.9	S612 K620 K649 L652	S612-L616 WeakPolarHBondContact O-CG 3.35Å; S612-L616 PolarHBondContact O-N 2.92Å; L616-K620 WeakPolarHBondContact O-CB 3.12Å; L616-K620 PolarHBondContact O-N 3.31Å; L616-K649 HydrophobicContact CD2-CG 4.14Å; L616-L652 HydrophobicContact CD1-CB 4.44Å; L616-L652 HydrophobicContact CD2-CB 4.26Å
617	L	91.1	Very high	88.1	Confident	67 Å²	67	59.9 Å²	59.9	35%	0.351	31%	0.313	S	S	.	.	H	α-helix	trans	-66.2	-46.9	172.9	-176.8	145.8	0	0	0	111.7	L607 S613 F615 M619 K620 E621	L607-L617 HydrophobicContact CD2-CD1 3.63Å; S613-L617 WeakPolarHBondContact O-CB 3.49Å; S613-L617 PolarHBondContact O-N 2.83Å; S613-L617 VanDerWaalsContact O-N 3.17Å; F615-L617 PolarHBondContact O-N 2.99Å; L617-M619 VanDerWaalsContact C-N 3.32Å; L617-M619 PolarHBondContact O-N 2.82Å; L617-K620 WeakPolarHBondContact O-CB 3.28Å; L617-K620 PolarHBondContact O-N 2.82Å; L617-K620 VanDerWaalsContact O-N 3.15Å; L617-E621 VanDerWaalsContact CD2-CD 3.42Å; L617-E621 HydrophobicContact CD2-CG 4.31Å; L617-E621 WeakPolarHBondContact CD2-OE1 3.29Å; L617-E621 WeakPolarHBondContact CD2-OE2 3.08Å; L617-E621 WeakPolarHBondContact O-CG 3.33Å; L617-E621 PolarHBondContact O-N 3.1Å
618	A	91.5	Very high	89.3	Confident	6 Å²	6	56.2 Å²	56.2	5%	0.05	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-38.3	177.3	0	0	0	0	0	112.4	S614 F615 E621 N622 N623 M627	S614-A618 WeakPolarHBondContact O-CB 3.39Å; S614-A618 PolarHBondContact O-N 2.88Å; F615-A618 PolarHBondContact O-N 3.16Å; F615-A618 VanDerWaalsContact O-N 3.13Å; A618-E621 CarbonylContact O-C 3.52Å; A618-E621 PolarHBondContact O-N 2.9Å; A618-N622 PolarHBondContact O-N 3.05Å; A618-N622 VanDerWaalsContact O-N 3.09Å; A618-N623 PolarHBondContact O-N 3.46Å; A618-M627 HydrophobicContact CB-CG 4.01Å; A618-M627 HydrophobicContact CB-SD 3.31Å; A618-M627 WeakPolarHBondContact CB-SD 3.42Å
619	M	93.1	Very high	90.1	Very high	27 Å²	27	52 Å²	52	13%	0.133	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-42.2	173.6	-72.3	-65.2	-75.8	0	0	111.6	F615 L617 E621 N622 L624 A645 E646 K649	F615-M619 HydrophobicContact CD1-CG 4.13Å; F615-M619 HydrophobicContact CD2-CG 4.31Å; F615-M619 HydrophobicContact CE1-CG 3.64Å; F615-M619 HydrophobicContact CE1-SD 4.47Å; F615-M619 HydrophobicContact CE2-CG 3.84Å; F615-M619 HydrophobicContact CE2-SD 4.02Å; F615-M619 HydrophobicContact CG-CG 4.45Å; F615-M619 HydrophobicContact CZ-CE 4.41Å; F615-M619 HydrophobicContact CZ-CG 3.47Å; F615-M619 VanDerWaalsContact CZ-CG 3.47Å; F615-M619 HydrophobicContact CZ-SD 3.76Å; F615-M619 WeakPolarHBondContact O-CG 3.23Å; F615-M619 PolarHBondContact O-N 2.87Å; L617-M619 VanDerWaalsContact C-N 3.32Å; L617-M619 PolarHBondContact O-N 2.82Å; M619-E621 VanDerWaalsContact C-N 3.3Å; M619-E621 PolarHBondContact O-N 3.12Å; M619-N622 PolarHBondContact O-N 3.12Å; M619-L624 HydrophobicContact SD-CB 4.11Å; M619-L624 HydrophobicContact SD-CD1 3.93Å; M619-L624 HydrophobicContact SD-CD2 4.21Å; M619-L624 HydrophobicContact SD-CG 4.3Å; M619-A645 HydrophobicContact CE-CB 4.37Å; M619-A645 HydrophobicContact SD-CB 4.26Å; M619-E646 WeakPolarHBondContact CE-OE2 3.32Å; M619-K649 HydrophobicContact CB-CD 4.2Å; M619-K649 HydrophobicContact CE-CB 4.24Å; M619-K649 HydrophobicContact CE-CD 3.68Å; M619-K649 HydrophobicContact CG-CD 4.39Å
620	K	91.6	Very high	90.1	Very high	184 Å²	184	54.2 Å²	54.2	80%	0.8	30%	0.298	S	S	*	.	H	α-helix	trans	-64.4	-34.7	176.1	-174.5	-179.9	179.1	-178.9	0	112.5	L616 L617 N622	L616-K620 WeakPolarHBondContact O-CB 3.12Å; L616-K620 PolarHBondContact O-N 3.31Å; L617-K620 WeakPolarHBondContact O-CB 3.28Å; L617-K620 PolarHBondContact O-N 2.82Å; L617-K620 VanDerWaalsContact O-N 3.15Å; K620-N622 VanDerWaalsContact C-N 3.31Å
621	E	92.2	Very high	89.6	Confident	123 Å²	123	57.1 Å²	57.1	58%	0.575	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	4.4	178	-67.3	179.5	174.1	0	0	113.5	L617 A618 M619 N623	L617-E621 VanDerWaalsContact CD2-CD 3.42Å; L617-E621 HydrophobicContact CD2-CG 4.31Å; L617-E621 WeakPolarHBondContact CD2-OE1 3.29Å; L617-E621 WeakPolarHBondContact CD2-OE2 3.08Å; L617-E621 WeakPolarHBondContact O-CG 3.33Å; L617-E621 PolarHBondContact O-N 3.1Å; A618-E621 CarbonylContact O-C 3.52Å; A618-E621 PolarHBondContact O-N 2.9Å; M619-E621 VanDerWaalsContact C-N 3.3Å; M619-E621 PolarHBondContact O-N 3.12Å; E621-N623 HydrophobicContact CB-CB 4.37Å; E621-N623 PolarHBondContact O-N 3.21Å
622	N	89.8	Confident	89.1	Confident	154 Å²	154	57.8 Å²	57.8	82%	0.824	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	33.4	-173.3	-63.5	-46.8	0	0	0	113.7	A618 M619 K620	A618-N622 PolarHBondContact O-N 3.05Å; A618-N622 VanDerWaalsContact O-N 3.09Å; M619-N622 PolarHBondContact O-N 3.12Å; K620-N622 VanDerWaalsContact C-N 3.31Å
623	N	91.3	Very high	88.2	Confident	78 Å²	78	61.6 Å²	61.6	42%	0.417	33%	0.328	S	S	.	.			trans	-111.4	31.7	-176.3	-166	25.1	0	0	0	112.8	A618 E621 E625 A626	A618-N623 PolarHBondContact O-N 3.46Å; E621-N623 HydrophobicContact CB-CB 4.37Å; E621-N623 PolarHBondContact O-N 3.21Å; N623-E625 PolarHBondContact O-N 2.96Å; N623-A626 PolarHBondContact O-N 3.38Å; N623-A626 WeakPolarHBondContact OD1-CB 3.31Å
624	L	88.8	Confident	87.3	Confident	20 Å²	20	62.5 Å²	62.5	11%	0.105	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-53.3	-42.3	178.9	173.5	61.3	0	0	0	112	F615 M619 A626 M627 L628 A645	F615-L624 HydrophobicContact CD2-CD1 4.43Å; F615-L624 HydrophobicContact CE2-CD1 3.67Å; M619-L624 HydrophobicContact SD-CB 4.11Å; M619-L624 HydrophobicContact SD-CD1 3.93Å; M619-L624 HydrophobicContact SD-CD2 4.21Å; M619-L624 HydrophobicContact SD-CG 4.3Å; L624-A626 PolarHBondContact O-N 2.8Å; L624-A626 VanDerWaalsContact O-N 3.08Å; L624-M627 PolarHBondContact O-N 2.83Å; L624-L628 HydrophobicContact CD1-CD2 4.07Å; L624-L628 HydrophobicContact CD1-CG 4.41Å; L624-L628 HydrophobicContact CG-CD1 4.39Å; L624-L628 HydrophobicContact CG-CD2 4.33Å; L624-L628 HydrophobicContact CG-CG 4.31Å; L624-L628 PolarHBondContact O-N 3.24Å; L624-A645 HydrophobicContact CD1-CB 3.72Å; L624-A645 HydrophobicContact CD2-CB 3.46Å; L624-A645 VanDerWaalsContact CD2-CB 3.46Å; L624-A645 HydrophobicContact CG-CB 4.25Å
625	E	87.6	Confident	86.7	Confident	101 Å²	101	68.3 Å²	68.3	47%	0.472	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-56.8	-24.1	-177.1	-95.7	-161.3	-145.5	0	0	115.4	N623 M627 K633 M638	N623-E625 PolarHBondContact O-N 2.96Å; E625-M627 VanDerWaalsContact C-N 3.35Å; E625-K633 PolarHBondContact O-NZ 3.28Å; E625-K633 VanDerWaalsContact OE2-CE 3.24Å; E625-K633 WeakPolarHBondContact OE2-CE 3.41Å; E625-K633 IonicContact OE2-NZ 2.93Å; E625-K633 PolarHBondContact OE2-NZ 3.35Å; E625-M638 HydrophobicContact CG-CE 3.69Å
626	A	88.1	Confident	86.1	Confident	68 Å²	68	70.4 Å²	70.4	56%	0.562	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-81.3	-17	178.2	0	0	0	0	0	112.9	N623 L624	N623-A626 PolarHBondContact O-N 3.38Å; N623-A626 WeakPolarHBondContact OD1-CB 3.31Å; L624-A626 PolarHBondContact O-N 2.8Å; L624-A626 VanDerWaalsContact O-N 3.08Å
627	M	88.8	Confident	85.7	Confident	21 Å²	21	71 Å²	71	10%	0.103	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-24.9	-178.7	-66.8	-164.8	66.3	0	0	113.8	T595 L611 F615 A618 L624 E625	T595-M627 WeakPolarHBondContact CA-O 3.42Å; T595-M627 WeakPolarHBondContact CB-O 3.41Å; T595-M627 HydrophobicContact CG2-CB 4.25Å; T595-M627 HydrophobicContact CG2-CE 4.49Å; T595-M627 WeakPolarHBondContact CG2-O 3.32Å; L611-M627 HydrophobicContact CD1-CE 3.92Å; F615-M627 VanDerWaalsContact CA-SD 3.54Å; F615-M627 HydrophobicContact CB-CE 3.99Å; F615-M627 HydrophobicContact CB-SD 4.27Å; F615-M627 HydrophobicContact CD2-SD 4.44Å; A618-M627 HydrophobicContact CB-CG 4.01Å; A618-M627 HydrophobicContact CB-SD 3.31Å; A618-M627 WeakPolarHBondContact CB-SD 3.42Å; L624-M627 PolarHBondContact O-N 2.83Å; E625-M627 VanDerWaalsContact C-N 3.35Å
628	L	89.9	Confident	85.5	Confident	13 Å²	13	71.2 Å²	71.2	7%	0.068	39%	0.388	C	S	.	.	S	Bend	trans	-59.9	142	-179.1	-63.1	175.6	0	0	0	111.3	L594 L624 S630 M638 L641	L594-L628 HydrophobicContact CB-CD2 4.2Å; L594-L628 HydrophobicContact CD2-CD2 3.98Å; L594-L628 WeakPolarHBondContact O-CA 3.22Å; L624-L628 HydrophobicContact CD1-CD2 4.07Å; L624-L628 HydrophobicContact CD1-CG 4.41Å; L624-L628 HydrophobicContact CG-CD1 4.39Å; L624-L628 HydrophobicContact CG-CD2 4.33Å; L624-L628 HydrophobicContact CG-CG 4.31Å; L624-L628 PolarHBondContact O-N 3.24Å; L628-S630 PolarHBondContact O-N 3.01Å; L628-M638 HydrophobicContact CD1-CE 4.15Å; L628-M638 HydrophobicContact CD1-SD 4.29Å; L628-L641 HydrophobicContact CD1-CB 4.34Å; L628-L641 HydrophobicContact CD1-CD1 4.02Å
629	D	86.7	Confident	85.3	Confident	26 Å²	26	75.8 Å²	75.8	14%	0.139	41%	0.408	C	S	.	.			trans	-59.7	127.5	174	-166.4	-38.3	0	0	0	109.3	L594 Q631 I632 K633	L594-D629 PolarHBondContact O-N 3.15Å; D629-Q631 PolarHBondContact O-N 2.83Å; D629-Q631 PolarHBondContact OD1-N 2.98Å; D629-I632 HydrophobicContact CB-CD1 3.93Å; D629-I632 HydrophobicContact CB-CG1 4.19Å; D629-I632 PolarHBondContact O-N 3.07Å; D629-K633 PolarHBondContact O-N 2.78Å
630	S	81.2	Confident	85.1	Confident	100 Å²	100	74.7 Å²	74.7	70%	0.699	40%	0.403	S	S	*	.	H	α-helix	trans	-48.6	-32	174.6	59.7	0	0	0	0	113.9	L628 I632	L628-S630 PolarHBondContact O-N 3.01Å; S630-I632 VanDerWaalsContact C-N 3.34Å
631	Q	77.3	Confident	85.1	Confident	86 Å²	86	65.9 Å²	65.9	40%	0.402	37%	0.365	S	S	.	.	H	α-helix	trans	-70.3	-31.8	178.8	-62.5	-170.3	10.8	0	0	112.3	D629 H635	D629-Q631 PolarHBondContact O-N 2.83Å; D629-Q631 PolarHBondContact OD1-N 2.98Å; Q631-H635 PolarHBondContact O-ND1 3.5Å
632	I	81.7	Confident	85.1	Confident	16 Å²	16	62.9 Å²	62.9	8%	0.082	36%	0.357	C	S	.	.	H	α-helix	trans	-91.4	-38.5	-175.7	-55.1	166.8	0	0	0	110.4	F495 I593 D629 S630 G634 H635 E636 L641	F495-I632 HydrophobicContact CB-CG2 4.42Å; F495-I632 HydrophobicContact CD1-CG2 4.19Å; F495-I632 HydrophobicContact CD2-CB 4.48Å; F495-I632 HydrophobicContact CD2-CD1 3.5Å; F495-I632 HydrophobicContact CD2-CG1 3.86Å; F495-I632 HydrophobicContact CD2-CG2 3.75Å; F495-I632 HydrophobicContact CE1-CG2 4.34Å; F495-I632 HydrophobicContact CE2-CD1 3.67Å; F495-I632 HydrophobicContact CE2-CG1 4.39Å; F495-I632 HydrophobicContact CE2-CG2 3.94Å; F495-I632 HydrophobicContact CG-CG1 4.45Å; F495-I632 HydrophobicContact CG-CG2 3.87Å; F495-I632 HydrophobicContact CZ-CG2 4.23Å; I593-I632 WeakPolarHBondContact O-CD1 3.32Å; D629-I632 HydrophobicContact CB-CD1 3.93Å; D629-I632 HydrophobicContact CB-CG1 4.19Å; D629-I632 PolarHBondContact O-N 3.07Å; S630-I632 VanDerWaalsContact C-N 3.34Å; I632-G634 PolarHBondContact O-N 3.03Å; I632-H635 PolarHBondContact O-N 2.75Å; I632-H635 VanDerWaalsContact O-N 3.09Å; I632-E636 HydrophobicContact CG2-CB 4.1Å; I632-E636 HydrophobicContact CG2-CG 3.87Å; I632-E636 PolarHBondContact O-N 3.14Å; I632-L641 HydrophobicContact CG2-CD1 4.02Å; I632-L641 HydrophobicContact CG2-CD2 3.49Å; I632-L641 VanDerWaalsContact CG2-CD2 3.49Å; I632-L641 HydrophobicContact CG2-CG 4.39Å
633	K	73.2	Confident	85.3	Confident	81 Å²	81	56.5 Å²	56.5	35%	0.352	33%	0.328	S	S	.	.	H	α-helix	trans	-52.5	-30.7	-177.9	-173.3	173.5	-178.4	169	0	113.9	E625 D629	E625-K633 PolarHBondContact O-NZ 3.28Å; E625-K633 VanDerWaalsContact OE2-CE 3.24Å; E625-K633 WeakPolarHBondContact OE2-CE 3.41Å; E625-K633 IonicContact OE2-NZ 2.93Å; E625-K633 PolarHBondContact OE2-NZ 3.35Å; D629-K633 PolarHBondContact O-N 2.78Å
634	G	72.4	Confident	85.5	Confident	65 Å²	65	52.9 Å²	52.9	67%	0.67	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-15.5	-178.4	0	0	0	0	0	116.3	I632	I632-G634 PolarHBondContact O-N 3.03Å
635	H	77.1	Confident	85.8	Confident	145 Å²	145	52 Å²	52	67%	0.671	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-20.1	-169.4	-64.7	93.8	0	0	0	113.9	Q631 I632	Q631-H635 PolarHBondContact O-ND1 3.5Å; I632-H635 PolarHBondContact O-N 2.75Å; I632-H635 VanDerWaalsContact O-N 3.09Å
636	E	81.9	Confident	86.2	Confident	45 Å²	45	50.3 Å²	50.3	21%	0.21	30%	0.296	C	S	.	.	S	Bend	trans	-114.8	155	-173.8	-63.1	-67.2	162.8	0	0	111.7	F495 I632 M638 L641	F495-E636 HydrophobicContact CB-CG 3.89Å; F495-E636 HydrophobicContact CD1-CB 4.4Å; F495-E636 HydrophobicContact CD1-CG 3.59Å; F495-E636 HydrophobicContact CE1-CG 4.4Å; F495-E636 HydrophobicContact CG-CG 3.98Å; I632-E636 HydrophobicContact CG2-CB 4.1Å; I632-E636 HydrophobicContact CG2-CG 3.87Å; I632-E636 PolarHBondContact O-N 3.14Å; E636-M638 PolarHBondContact O-N 3.36Å; E636-L641 HydrophobicContact CB-CD1 4.36Å; E636-L641 HydrophobicContact CB-CD2 4.23Å; E636-L641 HydrophobicContact CB-CG 4.33Å
637	S	85	Confident	86.6	Confident	66 Å²	66	47.3 Å²	47.3	46%	0.462	27%	0.27	S	S	.	.			trans	-64.1	131.7	177.9	175.9	0	0	0	0	111	E639 L640 L641	S637-E639 PolarHBondContact O-N 3.42Å; S637-E639 WeakPolarHBondContact OG-CB 3.47Å; S637-E639 PolarHBondContact OG-N 3.18Å; S637-L640 WeakPolarHBondContact O-CB 3.06Å; S637-L640 PolarHBondContact O-N 3.37Å; S637-L641 PolarHBondContact O-N 3.18Å; S637-L641 VanDerWaalsContact O-N 3.11Å
638	M	85.6	Confident	87.1	Confident	71 Å²	71	46.3 Å²	46.3	35%	0.35	27%	0.265	S	S	.	.	H	α-helix	trans	-59.7	-26	173.2	-77.3	-57.6	-60.9	0	0	112.7	E625 L628 E636 L641 S642	E625-M638 HydrophobicContact CG-CE 3.69Å; L628-M638 HydrophobicContact CD1-CE 4.15Å; L628-M638 HydrophobicContact CD1-SD 4.29Å; E636-M638 PolarHBondContact O-N 3.36Å; M638-L641 HydrophobicContact SD-CD1 4.14Å; M638-S642 WeakPolarHBondContact O-CB 3.15Å; M638-S642 PolarHBondContact O-N 3.14Å
639	E	87.6	Confident	87.4	Confident	102 Å²	102	49.5 Å²	49.5	48%	0.477	28%	0.279	S	S	.	.	H	α-helix	trans	-65	-43.3	173.3	-172.2	-176.7	-177.2	0	0	111.6	S637 G643	S637-E639 PolarHBondContact O-N 3.42Å; S637-E639 WeakPolarHBondContact OG-CB 3.47Å; S637-E639 PolarHBondContact OG-N 3.18Å; E639-G643 PolarHBondContact O-N 2.97Å
640	L	90	Very high	87.9	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-63.4	-47.1	176.1	173.3	64.2	0	0	0	111.1	F495 L499 S637 G643 L644 L672	F495-L640 HydrophobicContact CD1-CD2 4.29Å; F495-L640 HydrophobicContact CE1-CD2 3.99Å; F495-L640 HydrophobicContact CE1-CG 4.37Å; L499-L640 HydrophobicContact CD1-CD1 4.12Å; L499-L640 HydrophobicContact CD1-CD2 3.98Å; L499-L640 HydrophobicContact CD1-CG 4.43Å; S637-L640 WeakPolarHBondContact O-CB 3.06Å; S637-L640 PolarHBondContact O-N 3.37Å; L640-G643 PolarHBondContact O-N 3.15Å; L640-L644 WeakPolarHBondContact O-CB 3.36Å; L640-L644 PolarHBondContact O-N 2.86Å; L640-L672 HydrophobicContact CD1-CB 3.76Å; L640-L672 HydrophobicContact CD1-CD2 4.39Å; L640-L672 WeakPolarHBondContact CD1-O 3Å
641	L	91.7	Very high	88.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.2	-40.8	-179.3	-58.7	-180	0	0	0	111.7	F495 L594 L628 I632 E636 S637 M638 L644 A645	F495-L641 HydrophobicContact CE1-CD2 3.72Å; F495-L641 HydrophobicContact CE2-CD2 4.48Å; F495-L641 HydrophobicContact CZ-CD2 3.69Å; L594-L641 HydrophobicContact CD2-CD2 4.09Å; L628-L641 HydrophobicContact CD1-CB 4.34Å; L628-L641 HydrophobicContact CD1-CD1 4.02Å; I632-L641 HydrophobicContact CG2-CD1 4.02Å; I632-L641 HydrophobicContact CG2-CD2 3.49Å; I632-L641 VanDerWaalsContact CG2-CD2 3.49Å; I632-L641 HydrophobicContact CG2-CG 4.39Å; E636-L641 HydrophobicContact CB-CD1 4.36Å; E636-L641 HydrophobicContact CB-CD2 4.23Å; E636-L641 HydrophobicContact CB-CG 4.33Å; S637-L641 PolarHBondContact O-N 3.18Å; S637-L641 VanDerWaalsContact O-N 3.11Å; M638-L641 HydrophobicContact SD-CD1 4.14Å; L641-L644 PolarHBondContact O-N 2.88Å; L641-A645 VanDerWaalsContact O-CB 3.24Å; L641-A645 WeakPolarHBondContact O-CB 3.23Å; L641-A645 PolarHBondContact O-N 2.88Å
642	S	92	Very high	89.7	Confident	60 Å²	60	43.5 Å²	43.5	42%	0.42	24%	0.239	S	C	.	.	H	α-helix	trans	-66.4	-40.5	175.5	-170.7	0	0	0	0	111.7	M638 A645 E646	M638-S642 WeakPolarHBondContact O-CB 3.15Å; M638-S642 PolarHBondContact O-N 3.14Å; S642-A645 PolarHBondContact O-N 3.42Å; S642-E646 WeakPolarHBondContact O-CB 3.26Å; S642-E646 PolarHBondContact O-N 3.24Å
643	G	93.7	Very high	90.4	Very high	20 Å²	20	45.5 Å²	45.5	21%	0.206	25%	0.249	C	C	.	.	H	α-helix	trans	-63.2	-43.8	175.9	0	0	0	0	0	112.1	E639 L640 E646 L647	E639-G643 PolarHBondContact O-N 2.97Å; L640-G643 PolarHBondContact O-N 3.15Å; G643-E646 PolarHBondContact O-N 2.62Å; G643-L647 PolarHBondContact O-N 2.83Å
644	L	94.4	Very high	91.2	Very high	2 Å²	2	47 Å²	47	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-68.1	-36.6	177	-168.9	66.1	0	0	0	112.4	F495 L499 I590 L594 L640 L641 L647 A648 I669 L672	F495-L644 HydrophobicContact CZ-CD2 3.9Å; L499-L644 HydrophobicContact CD2-CD1 4.36Å; L499-L644 HydrophobicContact CD2-CD2 3.66Å; I590-L644 HydrophobicContact CG2-CD1 3.72Å; I590-L644 HydrophobicContact CG2-CD2 4.03Å; I590-L644 HydrophobicContact CG2-CG 3.51Å; L594-L644 HydrophobicContact CD1-CB 4.49Å; L594-L644 HydrophobicContact CD1-CD2 4.4Å; L594-L644 HydrophobicContact CD1-CG 4.23Å; L594-L644 HydrophobicContact CD2-CB 4.3Å; L594-L644 HydrophobicContact CD2-CD2 3.77Å; L594-L644 HydrophobicContact CD2-CG 4.29Å; L594-L644 HydrophobicContact CG-CD2 3.93Å; L594-L644 HydrophobicContact CG-CG 4.31Å; L640-L644 WeakPolarHBondContact O-CB 3.36Å; L640-L644 PolarHBondContact O-N 2.86Å; L641-L644 PolarHBondContact O-N 2.88Å; L644-L647 PolarHBondContact O-N 3.18Å; L644-A648 PolarHBondContact O-N 3.21Å; L644-I669 HydrophobicContact CD1-CG1 4.25Å; L644-L672 HydrophobicContact CB-CD1 4.19Å; L644-L672 HydrophobicContact CD1-CD1 4.2Å
645	A	95.5	Very high	92.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.9	-40.4	174.7	0	0	0	0	0	112	L594 F615 M619 L624 L641 S642 L647 A648 K649	L594-A645 HydrophobicContact CD1-CB 4.02Å; F615-A645 HydrophobicContact CE2-CB 4.21Å; F615-A645 HydrophobicContact CZ-CB 4.02Å; F615-A645 WeakPolarHBondContact CZ-O 3.08Å; M619-A645 HydrophobicContact CE-CB 4.37Å; M619-A645 HydrophobicContact SD-CB 4.26Å; L624-A645 HydrophobicContact CD1-CB 3.72Å; L624-A645 HydrophobicContact CD2-CB 3.46Å; L624-A645 VanDerWaalsContact CD2-CB 3.46Å; L624-A645 HydrophobicContact CG-CB 4.25Å; L641-A645 VanDerWaalsContact O-CB 3.24Å; L641-A645 WeakPolarHBondContact O-CB 3.23Å; L641-A645 PolarHBondContact O-N 2.88Å; S642-A645 PolarHBondContact O-N 3.42Å; A645-L647 VanDerWaalsContact C-N 3.34Å; A645-A648 PolarHBondContact O-N 3.44Å; A645-K649 WeakPolarHBondContact O-CB 3.2Å; A645-K649 PolarHBondContact O-N 2.89Å
646	E	96.3	Very high	92.9	Very high	67 Å²	67	40.2 Å²	40.2	31%	0.313	22%	0.217	S	C	.	.	H	α-helix	trans	-65.8	-38.9	175.3	-168.9	59.7	-152.3	0	0	111.2	M619 S642 G643 K649 Q650	M619-E646 WeakPolarHBondContact CE-OE2 3.32Å; S642-E646 WeakPolarHBondContact O-CB 3.26Å; S642-E646 PolarHBondContact O-N 3.24Å; G643-E646 PolarHBondContact O-N 2.62Å; E646-K649 WeakPolarHBondContact O-CB 3.28Å; E646-K649 PolarHBondContact O-N 2.98Å; E646-K649 IonicContact OE1-NZ 2.7Å; E646-K649 PolarHBondContact OE1-NZ 3.49Å; E646-K649 IonicContact OE2-NZ 2.99Å; E646-K649 PolarHBondContact OE2-NZ 3.2Å; E646-K649 VanDerWaalsContact OE2-NZ 3.14Å; E646-Q650 WeakPolarHBondContact O-CG 3.37Å; E646-Q650 PolarHBondContact O-N 2.96Å
647	L	97.5	Very high	93.4	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-45.9	172.2	-178	62.2	0	0	0	111.8	I590 G643 L644 A645 K649 Q650 C651 V665 E668 I669	I590-L647 HydrophobicContact CD1-CD2 4.27Å; I590-L647 HydrophobicContact CD1-CG 4.34Å; G643-L647 PolarHBondContact O-N 2.83Å; L644-L647 PolarHBondContact O-N 3.18Å; A645-L647 VanDerWaalsContact C-N 3.34Å; L647-K649 VanDerWaalsContact C-N 3.3Å; L647-K649 PolarHBondContact O-N 2.86Å; L647-Q650 PolarHBondContact O-N 2.8Å; L647-C651 PolarHBondContact O-N 2.83Å; L647-C651 PolarHBondContact O-SG 2.63Å; L647-C651 VanDerWaalsContact O-SG 3.34Å; L647-V665 HydrophobicContact CD1-CG2 4.29Å; L647-V665 HydrophobicContact CD2-CG1 4.25Å; L647-E668 HydrophobicContact CD1-CB 4.3Å; L647-E668 HydrophobicContact CD1-CG 4.24Å; L647-E668 HydrophobicContact CD2-CB 4.13Å; L647-E668 HydrophobicContact CD2-CG 4.05Å; L647-I669 HydrophobicContact CD2-CD1 4.04Å; L647-I669 HydrophobicContact CD2-CG1 3.45Å; L647-I669 VanDerWaalsContact CD2-CG1 3.45Å
648	A	97.5	Very high	93.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.9	-41.1	176	0	0	0	0	0	111.8	I590 L591 F615 L644 A645 Q650 C651 L652	I590-A648 HydrophobicContact CB-CB 4.09Å; I590-A648 HydrophobicContact CG2-CB 3.77Å; L591-A648 HydrophobicContact CD2-CB 3.64Å; L591-A648 HydrophobicContact CG-CB 4.39Å; F615-A648 HydrophobicContact CE1-CB 4.29Å; F615-A648 HydrophobicContact CZ-CB 4.29Å; L644-A648 PolarHBondContact O-N 3.21Å; A645-A648 PolarHBondContact O-N 3.44Å; A648-Q650 PolarHBondContact O-N 3.2Å; A648-C651 PolarHBondContact O-N 2.91Å; A648-L652 WeakPolarHBondContact O-CB 3.37Å; A648-L652 WeakPolarHBondContact O-CD1 3.19Å; A648-L652 WeakPolarHBondContact O-CG 3.34Å; A648-L652 PolarHBondContact O-N 3.07Å
649	K	97.1	Very high	94.4	Very high	80 Å²	80	44.8 Å²	44.8	35%	0.348	23%	0.233	S	C	.	.	H	α-helix	trans	-61.2	-41.7	175.4	174.5	-179.5	155.5	-137.5	0	112.1	F615 L616 M619 A645 E646 L647 L652 D653	F615-K649 HydrophobicContact CE1-CB 4.01Å; L616-K649 HydrophobicContact CD2-CG 4.14Å; M619-K649 HydrophobicContact CB-CD 4.2Å; M619-K649 HydrophobicContact CE-CB 4.24Å; M619-K649 HydrophobicContact CE-CD 3.68Å; M619-K649 HydrophobicContact CG-CD 4.39Å; A645-K649 WeakPolarHBondContact O-CB 3.2Å; A645-K649 PolarHBondContact O-N 2.89Å; E646-K649 WeakPolarHBondContact O-CB 3.28Å; E646-K649 PolarHBondContact O-N 2.98Å; E646-K649 IonicContact OE1-NZ 2.7Å; E646-K649 PolarHBondContact OE1-NZ 3.49Å; E646-K649 IonicContact OE2-NZ 2.99Å; E646-K649 PolarHBondContact OE2-NZ 3.2Å; E646-K649 VanDerWaalsContact OE2-NZ 3.14Å; L647-K649 VanDerWaalsContact C-N 3.3Å; L647-K649 PolarHBondContact O-N 2.86Å; K649-L652 PolarHBondContact O-N 2.81Å; K649-D653 PolarHBondContact O-N 3.35Å
650	Q	97.7	Very high	94.9	Very high	86 Å²	86	40.9 Å²	40.9	40%	0.402	22%	0.217	S	C	.	.	H	α-helix	trans	-65	-41.6	175.2	-69.2	171.7	11.8	0	0	111.9	E646 L647 A648 L652 D653 P660	E646-Q650 WeakPolarHBondContact O-CG 3.37Å; E646-Q650 PolarHBondContact O-N 2.96Å; L647-Q650 PolarHBondContact O-N 2.8Å; A648-Q650 PolarHBondContact O-N 3.2Å; Q650-L652 VanDerWaalsContact C-N 3.26Å; Q650-L652 PolarHBondContact O-N 2.94Å; Q650-D653 PolarHBondContact O-N 2.94Å; Q650-P660 HydrophobicContact CB-CG 4.44Å
651	C	98.2	Very high	95.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-33.9	175.2	-67	0	0	0	0	112.6	V583 Y584 L647 A648 D653 R659	V583-C651 HydrophobicContact CG1-CB 3.96Å; V583-C651 WeakPolarHBondContact O-CB 3.28Å; Y584-C651 WeakPolarHBondContact CA-O 3.49Å; L647-C651 PolarHBondContact O-N 2.83Å; L647-C651 PolarHBondContact O-SG 2.63Å; L647-C651 VanDerWaalsContact O-SG 3.34Å; A648-C651 PolarHBondContact O-N 2.91Å; C651-D653 VanDerWaalsContact C-N 3.33Å; C651-R659 VanDerWaalsContact O-CD 3.32Å; C651-R659 WeakPolarHBondContact O-CD 3.36Å
652	L	97.3	Very high	95.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	12.3	-176.8	-65.6	169.8	0	0	0	114	Y584 V588 L591 F615 L616 A648 K649 Q650	Y584-L652 HydrophobicContact CD1-CD2 4.18Å; Y584-L652 HydrophobicContact CD2-CD2 3.94Å; Y584-L652 HydrophobicContact CE1-CD2 3.92Å; Y584-L652 HydrophobicContact CE2-CB 4.22Å; Y584-L652 HydrophobicContact CE2-CD2 3.66Å; Y584-L652 HydrophobicContact CG-CD2 4.18Å; V588-L652 HydrophobicContact CG2-CD2 3.72Å; L591-L652 HydrophobicContact CD1-CD1 3.37Å; L591-L652 HydrophobicContact CD2-CD1 4.25Å; L591-L652 HydrophobicContact CG-CD1 3.79Å; F615-L652 HydrophobicContact CD1-CD1 4.09Å; F615-L652 HydrophobicContact CE1-CD1 4.47Å; L616-L652 HydrophobicContact CD1-CB 4.44Å; L616-L652 HydrophobicContact CD2-CB 4.26Å; A648-L652 WeakPolarHBondContact O-CB 3.37Å; A648-L652 WeakPolarHBondContact O-CD1 3.19Å; A648-L652 WeakPolarHBondContact O-CG 3.34Å; A648-L652 PolarHBondContact O-N 3.07Å; K649-L652 PolarHBondContact O-N 2.81Å; Q650-L652 VanDerWaalsContact C-N 3.26Å; Q650-L652 PolarHBondContact O-N 2.94Å
653	D	96.2	Very high	95.8	Very high	57 Å²	57	43.3 Å²	43.3	31%	0.305	22%	0.224	S	C	.	.			trans	-58.6	140.6	175	-161.5	-72.3	0	0	0	110.4	K649 Q650 C651 C655 N658 R659	K649-D653 PolarHBondContact O-N 3.35Å; Q650-D653 PolarHBondContact O-N 2.94Å; C651-D653 VanDerWaalsContact C-N 3.33Å; D653-C655 PolarHBondContact O-N 2.94Å; D653-C655 PolarHBondContact OD1-N 2.88Å; D653-N658 HydrophobicContact CB-CB 4.13Å; D653-N658 PolarHBondContact OD1-ND2 3.24Å; D653-R659 HydrophobicContact CB-CG 4.07Å; D653-R659 VanDerWaalsContact O-CZ 3.28Å; D653-R659 PolarHBondContact O-NE 3.2Å; D653-R659 PolarHBondContact O-NH2 3.12Å
654	M	91.4	Very high	96	Very high	114 Å²	114	46.2 Å²	46.2	56%	0.562	23%	0.234	S	C	*	.	S	Bend	trans	-69.9	-22.3	-178.8	-68	-61.6	-57.9	0	0	112.4	P569	P569-M654 HydrophobicContact CB-CE 3.56Å; P569-M654 HydrophobicContact CB-SD 4.39Å; P569-M654 HydrophobicContact CG-CE 3.95Å; P569-M654 HydrophobicContact CG-SD 4.13Å
655	C	92	Very high	96.2	Very high	49 Å²	49	46.1 Å²	46.1	33%	0.331	23%	0.234	S	C	.	.	S	Bend	trans	-102.9	120.3	176.2	-172.9	0	0	0	0	110.4	D653 E657 N658	D653-C655 PolarHBondContact O-N 2.94Å; D653-C655 PolarHBondContact OD1-N 2.88Å; C655-E657 VanDerWaalsContact C-N 3.27Å; C655-E657 PolarHBondContact O-N 3.44Å; C655-N658 PolarHBondContact O-N 2.85Å; C655-N658 VanDerWaalsContact O-N 3.1Å
656	S	92.2	Very high	96.3	Very high	17 Å²	17	46.6 Å²	46.6	12%	0.119	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-57.6	-35.1	-178	57.1	0	0	0	0	113.6	E570 N658 R659	E570-S656 VanDerWaalsContact CD-OG 3.28Å; E570-S656 WeakPolarHBondContact OE1-CB 3.42Å; E570-S656 PolarHBondContact OE1-OG 2.8Å; E570-S656 WeakPolarHBondContact OE2-CA 3.24Å; E570-S656 WeakPolarHBondContact OE2-CB 3.34Å; E570-S656 PolarHBondContact OE2-N 3.08Å; E570-S656 PolarHBondContact OE2-OG 3.25Å; S656-N658 PolarHBondContact O-N 3.45Å; S656-R659 WeakPolarHBondContact O-CB 3.31Å; S656-R659 PolarHBondContact O-N 3.01Å; S656-R659 VanDerWaalsContact O-N 3.12Å
657	E	91.8	Very high	96.2	Very high	171 Å²	171	48.7 Å²	48.7	80%	0.799	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-61.8	-28.7	178.2	-63.8	-174.5	170.8	0	0	113	C655	C655-E657 VanDerWaalsContact C-N 3.27Å; C655-E657 PolarHBondContact O-N 3.44Å
658	N	95.6	Very high	96.2	Very high	103 Å²	103	51 Å²	51	55%	0.551	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-83.6	-15.3	179.4	-65.3	-27.6	0	0	0	112.8	D653 C655 S656	D653-N658 HydrophobicContact CB-CB 4.13Å; D653-N658 PolarHBondContact OD1-ND2 3.24Å; C655-N658 PolarHBondContact O-N 2.85Å; C655-N658 VanDerWaalsContact O-N 3.1Å; S656-N658 PolarHBondContact O-N 3.45Å
659	R	97.6	Very high	96.1	Very high	5 Å²	5	51 Å²	51	2%	0.019	26%	0.258	C	S	.	.	S	Bend	trans	-76.5	144.8	-177.8	-58.1	176.2	-166	156.1	4.3	109.8	D568 E570 K580 V583 C651 D653 S656	D568-R659 IonicContact OD1-CZ 3.72Å; D568-R659 IonicContact OD1-NH1 3.11Å; D568-R659 PolarHBondContact OD1-NH1 3.14Å; D568-R659 IonicContact OD1-NH2 2.83Å; D568-R659 PolarHBondContact OD1-NH2 3.42Å; D568-R659 IonicContact OD2-CZ 3.78Å; D568-R659 IonicContact OD2-NH1 2.86Å; D568-R659 PolarHBondContact OD2-NH1 3.09Å; D568-R659 IonicContact OD2-NH2 3.05Å; E570-R659 IonicContact OE2-NH2 3.36Å; K580-R659 HydrophobicContact CD-CB 4.22Å; K580-R659 PolarHBondContact NZ-O 2.93Å; K580-R659 PolarHBondContact O-NH1 3.32Å; V583-R659 HydrophobicContact CG1-CB 4.11Å; C651-R659 VanDerWaalsContact O-CD 3.32Å; C651-R659 WeakPolarHBondContact O-CD 3.36Å; D653-R659 HydrophobicContact CB-CG 4.07Å; D653-R659 VanDerWaalsContact O-CZ 3.28Å; D653-R659 PolarHBondContact O-NE 3.2Å; D653-R659 PolarHBondContact O-NH2 3.12Å; S656-R659 WeakPolarHBondContact O-CB 3.31Å; S656-R659 PolarHBondContact O-N 3.01Å; S656-R659 VanDerWaalsContact O-N 3.12Å
660	P	97.9	Very high	96	Very high	20 Å²	20	48.8 Å²	48.8	13%	0.13	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-64.7	169.8	172.8	26.9	-34.4	0	0	0	112.1	K580 V583 Q650 D664 V665	K580-P660 PolarHBondContact NZ-O 3.34Å; V583-P660 HydrophobicContact CG1-CG 4.28Å; V583-P660 WeakPolarHBondContact CG2-O 3.39Å; Q650-P660 HydrophobicContact CB-CG 4.44Å; P660-D664 HydrophobicContact CB-CB 3.99Å; P660-V665 HydrophobicContact CB-CG2 4.07Å; P660-V665 HydrophobicContact CG-CG2 3.62Å
661	S	97.5	Very high	95.8	Very high	31 Å²	31	51 Å²	51	22%	0.217	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-81.5	159.4	165.1	72.6	0	0	0	0	110.6	K663 D664 V665	S661-K663 PolarHBondContact O-N 3.34Å; S661-K663 VanDerWaalsContact O-N 3.16Å; S661-K663 PolarHBondContact OG-N 3.2Å; S661-D664 VanDerWaalsContact CB-OD2 3.31Å; S661-D664 WeakPolarHBondContact CB-OD2 3.43Å; S661-D664 PolarHBondContact N-OD2 2.54Å; S661-D664 PolarHBondContact O-N 3.28Å; S661-D664 PolarHBondContact OG-N 3.38Å; S661-D664 PolarHBondContact OG-OD2 3.07Å; S661-V665 WeakPolarHBondContact O-CG2 2.98Å; S661-V665 PolarHBondContact O-N 2.98Å
662	M	97.8	Very high	95.5	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-61.1	-24.1	174.1	-77.9	-52.8	-53.1	0	0	113.2	A506 L509 A510 H513 V583 F586 V665 A666	A506-M662 HydrophobicContact CB-CE 3.86Å; L509-M662 HydrophobicContact CB-CB 4.32Å; L509-M662 HydrophobicContact CB-CE 3.91Å; L509-M662 HydrophobicContact CB-CG 4Å; L509-M662 HydrophobicContact CD1-CE 3.85Å; L509-M662 HydrophobicContact CD1-SD 4.48Å; A510-M662 HydrophobicContact CB-CB 4.21Å; H513-M662 WeakPolarHBondContact CE1-CG 3.41Å; H513-M662 VanDerWaalsContact ND1-CG 3.3Å; H513-M662 WeakPolarHBondContact ND1-CG 3.29Å; V583-M662 HydrophobicContact CB-SD 4.28Å; V583-M662 HydrophobicContact CG2-CG 3.72Å; V583-M662 HydrophobicContact CG2-SD 3.75Å; F586-M662 HydrophobicContact CB-CE 4.18Å; F586-M662 HydrophobicContact CB-SD 3.96Å; F586-M662 HydrophobicContact CD1-CE 3.75Å; F586-M662 HydrophobicContact CD1-SD 4.31Å; F586-M662 HydrophobicContact CD2-CE 3.86Å; F586-M662 HydrophobicContact CE1-CE 4.03Å; F586-M662 HydrophobicContact CE2-CE 4.14Å; F586-M662 HydrophobicContact CG-CE 3.64Å; F586-M662 HydrophobicContact CG-SD 4.07Å; F586-M662 HydrophobicContact CZ-CE 4.21Å; M662-V665 HydrophobicContact CE-CB 4.24Å; M662-V665 HydrophobicContact CE-CG1 4.04Å; M662-V665 HydrophobicContact SD-CB 4.39Å; M662-V665 HydrophobicContact SD-CG1 4.49Å; M662-V665 HydrophobicContact SD-CG2 4.41Å; M662-A666 WeakPolarHBondContact O-CB 3.38Å; M662-A666 PolarHBondContact O-N 2.87Å
663	K	96.8	Very high	95.1	Very high	82 Å²	82	53.2 Å²	53.2	36%	0.357	27%	0.267	S	S	.	.	H	α-helix	trans	-66	-48.7	171.3	-176.3	-177.5	173.4	-172.5	0	111.3	A510 S661 V665 A666 E667	A510-K663 HydrophobicContact CB-CB 4.36Å; S661-K663 PolarHBondContact O-N 3.34Å; S661-K663 VanDerWaalsContact O-N 3.16Å; S661-K663 PolarHBondContact OG-N 3.2Å; K663-V665 VanDerWaalsContact C-N 3.3Å; K663-V665 PolarHBondContact O-N 2.9Å; K663-A666 PolarHBondContact O-N 2.9Å; K663-E667 WeakPolarHBondContact CE-OE1 3.48Å; K663-E667 WeakPolarHBondContact O-CG 3.01Å; K663-E667 PolarHBondContact O-N 3.44Å
664	D	97.7	Very high	94.6	Very high	80 Å²	80	57 Å²	57	43%	0.428	28%	0.28	S	S	.	.	H	α-helix	trans	-62.6	-40	177.2	-51	-46.6	0	0	0	110.9	P660 S661 E667 E668	P660-D664 HydrophobicContact CB-CB 3.99Å; S661-D664 VanDerWaalsContact CB-OD2 3.31Å; S661-D664 WeakPolarHBondContact CB-OD2 3.43Å; S661-D664 PolarHBondContact N-OD2 2.54Å; S661-D664 PolarHBondContact O-N 3.28Å; S661-D664 PolarHBondContact OG-N 3.38Å; S661-D664 PolarHBondContact OG-OD2 3.07Å; D664-E667 PolarHBondContact O-N 3.01Å; D664-E668 WeakPolarHBondContact O-CB 3.25Å; D664-E668 PolarHBondContact O-N 2.03Å
665	V	98.1	Very high	93.9	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.7	-47.3	174.9	174.6	0	0	0	0	111.1	V583 F586 L647 P660 S661 M662 K663 E668 I669	V583-V665 HydrophobicContact CG1-CG2 4.39Å; F586-V665 HydrophobicContact CD1-CG1 3.74Å; F586-V665 HydrophobicContact CE1-CG1 3.64Å; L647-V665 HydrophobicContact CD1-CG2 4.29Å; L647-V665 HydrophobicContact CD2-CG1 4.25Å; P660-V665 HydrophobicContact CB-CG2 4.07Å; P660-V665 HydrophobicContact CG-CG2 3.62Å; S661-V665 WeakPolarHBondContact O-CG2 2.98Å; S661-V665 PolarHBondContact O-N 2.98Å; M662-V665 HydrophobicContact CE-CB 4.24Å; M662-V665 HydrophobicContact CE-CG1 4.04Å; M662-V665 HydrophobicContact SD-CB 4.39Å; M662-V665 HydrophobicContact SD-CG1 4.49Å; M662-V665 HydrophobicContact SD-CG2 4.41Å; K663-V665 VanDerWaalsContact C-N 3.3Å; K663-V665 PolarHBondContact O-N 2.9Å; V665-E668 PolarHBondContact O-N 3.31Å; V665-I669 HydrophobicContact CG1-CD1 3.86Å; V665-I669 VanDerWaalsContact O-CG1 3.24Å; V665-I669 WeakPolarHBondContact O-CG1 3.33Å; V665-I669 PolarHBondContact O-N 3.12Å
666	A	97.3	Very high	92.8	Very high	11 Å²	11	53.4 Å²	53.4	9%	0.091	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-41.1	177.6	0	0	0	0	0	112	N503 A506 M662 K663 S670	N503-A666 PolarHBondContact OD1-O 3.03Å; N503-A666 VanDerWaalsContact OD1-O 3.09Å; A506-A666 HydrophobicContact CB-CB 3.73Å; M662-A666 WeakPolarHBondContact O-CB 3.38Å; M662-A666 PolarHBondContact O-N 2.87Å; K663-A666 PolarHBondContact O-N 2.9Å; A666-S670 VanDerWaalsContact O-CB 3.24Å; A666-S670 WeakPolarHBondContact O-CB 3.47Å; A666-S670 PolarHBondContact O-N 2.96Å
667	E	96.2	Very high	91.6	Very high	110 Å²	110	59.8 Å²	59.8	51%	0.514	29%	0.288	S	S	.	.	H	α-helix	trans	-65.3	-43	177.3	-73.5	179.8	-168.5	0	0	111.9	K663 D664 S670 R671	K663-E667 WeakPolarHBondContact CE-OE1 3.48Å; K663-E667 WeakPolarHBondContact O-CG 3.01Å; K663-E667 PolarHBondContact O-N 3.44Å; D664-E667 PolarHBondContact O-N 3.01Å; E667-S670 WeakPolarHBondContact O-CB 3.35Å; E667-S670 PolarHBondContact O-N 3.4Å; E667-R671 PolarHBondContact O-N 2.84Å
668	E	96.9	Very high	89.8	Confident	53 Å²	53	57 Å²	57	25%	0.248	28%	0.275	C	S	.	.	H	α-helix	trans	-68.8	-41.4	179	-176.4	56.4	-162.2	0	0	111.9	L647 D664 V665 S670 R671 L672	L647-E668 HydrophobicContact CD1-CB 4.3Å; L647-E668 HydrophobicContact CD1-CG 4.24Å; L647-E668 HydrophobicContact CD2-CB 4.13Å; L647-E668 HydrophobicContact CD2-CG 4.05Å; D664-E668 WeakPolarHBondContact O-CB 3.25Å; D664-E668 PolarHBondContact O-N 2.03Å; V665-E668 PolarHBondContact O-N 3.31Å; E668-S670 VanDerWaalsContact C-N 3.29Å; E668-S670 PolarHBondContact O-N 2.75Å; E668-R671 WeakPolarHBondContact O-CB 3.48Å; E668-R671 PolarHBondContact O-N 3.47Å; E668-R671 IonicContact OE1-CZ 2.75Å; E668-R671 IonicContact OE1-NE 3.68Å; E668-R671 PolarHBondContact OE1-NE 3.14Å; E668-R671 VanDerWaalsContact OE1-NE 3.11Å; E668-R671 IonicContact OE1-NH2 3.83Å; E668-R671 PolarHBondContact OE1-NH2 3.22Å; E668-R671 WeakPolarHBondContact OE2-CD 2.97Å; E668-R671 IonicContact OE2-CZ 3.82Å; E668-R671 IonicContact OE2-NE 2.8Å; E668-R671 PolarHBondContact OE2-NE 3.49Å; E668-R671 IonicContact OE2-NH2 2.79Å; E668-L672 HydrophobicContact CG-CD1 4.26Å; E668-L672 WeakPolarHBondContact O-CB 3.41Å; E668-L672 VanDerWaalsContact O-CG 3.31Å; E668-L672 WeakPolarHBondContact O-CG 3.15Å; E668-L672 PolarHBondContact O-N 3.16Å
669	I	95.9	Very high	87.5	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-39.6	173.9	-63.9	173.6	0	0	0	110.3	V502 N503 F586 I590 L644 L647 V665 R671 L672 R673	V502-I669 HydrophobicContact CG1-CD1 3.68Å; N503-I669 HydrophobicContact CB-CG2 3.71Å; F586-I669 HydrophobicContact CE1-CD1 3.78Å; F586-I669 HydrophobicContact CZ-CD1 4.34Å; I590-I669 HydrophobicContact CD1-CD1 4.19Å; L644-I669 HydrophobicContact CD1-CG1 4.25Å; L647-I669 HydrophobicContact CD2-CD1 4.04Å; L647-I669 HydrophobicContact CD2-CG1 3.45Å; L647-I669 VanDerWaalsContact CD2-CG1 3.45Å; V665-I669 HydrophobicContact CG1-CD1 3.86Å; V665-I669 VanDerWaalsContact O-CG1 3.24Å; V665-I669 WeakPolarHBondContact O-CG1 3.33Å; V665-I669 PolarHBondContact O-N 3.12Å; I669-R671 VanDerWaalsContact C-N 3.33Å; I669-R671 PolarHBondContact O-N 3.46Å; I669-L672 PolarHBondContact O-N 3.4Å; I669-R673 HydrophobicContact CG2-CG 4.35Å; I669-R673 WeakPolarHBondContact O-CB 3.48Å; I669-R673 WeakPolarHBondContact O-CG 3.34Å; I669-R673 PolarHBondContact O-N 2.03Å
670	S	94.3	Very high	85	Confident	35 Å²	35	66.2 Å²	66.2	25%	0.245	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-40.3	175	-173.5	0	0	0	0	111.8	N503 A666 E667 E668 R673 K674	N503-S670 WeakPolarHBondContact OD1-CA 3.42Å; N503-S670 PolarHBondContact OD1-N 3.09Å; A666-S670 VanDerWaalsContact O-CB 3.24Å; A666-S670 WeakPolarHBondContact O-CB 3.47Å; A666-S670 PolarHBondContact O-N 2.96Å; E667-S670 WeakPolarHBondContact O-CB 3.35Å; E667-S670 PolarHBondContact O-N 3.4Å; E668-S670 VanDerWaalsContact C-N 3.29Å; E668-S670 PolarHBondContact O-N 2.75Å; S670-R673 PolarHBondContact O-N 3.43Å; S670-K674 WeakPolarHBondContact O-CG 3.38Å; S670-K674 PolarHBondContact O-N 3.19Å
671	R	93.7	Very high	82.1	Confident	132 Å²	132	71.6 Å²	71.6	50%	0.498	34%	0.342	S	S	.	.	H	α-helix	trans	-61.7	-50.6	173.2	-168.5	-173.9	79.5	100.1	3.9	111.4	E667 E668 I669 R673 K674 L675	E667-R671 PolarHBondContact O-N 2.84Å; E668-R671 WeakPolarHBondContact O-CB 3.48Å; E668-R671 PolarHBondContact O-N 3.47Å; E668-R671 IonicContact OE1-CZ 2.75Å; E668-R671 IonicContact OE1-NE 3.68Å; E668-R671 PolarHBondContact OE1-NE 3.14Å; E668-R671 VanDerWaalsContact OE1-NE 3.11Å; E668-R671 IonicContact OE1-NH2 3.83Å; E668-R671 PolarHBondContact OE1-NH2 3.22Å; E668-R671 WeakPolarHBondContact OE2-CD 2.97Å; E668-R671 IonicContact OE2-CZ 3.82Å; E668-R671 IonicContact OE2-NE 2.8Å; E668-R671 PolarHBondContact OE2-NE 3.49Å; E668-R671 IonicContact OE2-NH2 2.79Å; I669-R671 VanDerWaalsContact C-N 3.33Å; I669-R671 PolarHBondContact O-N 3.46Å; R671-R673 VanDerWaalsContact C-N 3.33Å; R671-R673 PolarHBondContact O-N 3.25Å; R671-K674 WeakPolarHBondContact O-CB 3.33Å; R671-K674 PolarHBondContact O-N 3.07Å; R671-K674 VanDerWaalsContact O-N 3.08Å; R671-L675 PolarHBondContact O-N 2.92Å
672	L	91.5	Very high	79.2	Confident	2 Å²	2	76.5 Å²	76.5	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-60	-40.2	178.3	-71	173.8	0	0	0	112.1	L640 L644 E668 I669 K674 L675 S676	L640-L672 HydrophobicContact CD1-CB 3.76Å; L640-L672 HydrophobicContact CD1-CD2 4.39Å; L640-L672 WeakPolarHBondContact CD1-O 3Å; L644-L672 HydrophobicContact CB-CD1 4.19Å; L644-L672 HydrophobicContact CD1-CD1 4.2Å; E668-L672 HydrophobicContact CG-CD1 4.26Å; E668-L672 WeakPolarHBondContact O-CB 3.41Å; E668-L672 VanDerWaalsContact O-CG 3.31Å; E668-L672 WeakPolarHBondContact O-CG 3.15Å; E668-L672 PolarHBondContact O-N 3.16Å; I669-L672 PolarHBondContact O-N 3.4Å; L672-K674 VanDerWaalsContact C-N 3.28Å; L672-K674 PolarHBondContact O-N 3.19Å; L672-L675 HydrophobicContact CD2-CD1 4.2Å; L672-L675 WeakPolarHBondContact O-CB 3.46Å; L672-L675 PolarHBondContact O-N 3.2Å; L672-S676 PolarHBondContact O-N 3.41Å
673	R	88.8	Confident	76.2	Confident	45 Å²	45	85.8 Å²	85.8	17%	0.17	40%	0.396	C	S	.	.	H	α-helix	trans	-60.7	-34.9	174.3	-76.8	175.8	71.1	-154.6	-0.3	113.3	L499 R500 N503 I669 S670 R671 S676 K677	L499-R673 HydrophobicContact CB-CG 3.81Å; L499-R673 HydrophobicContact CD1-CG 4.35Å; L499-R673 WeakPolarHBondContact O-CD 3.28Å; R500-R673 VanDerWaalsContact CA-CZ 3.47Å; R500-R673 VanDerWaalsContact CB-NH2 3.26Å; N503-R673 PolarHBondContact ND2-NH1 3.45Å; I669-R673 HydrophobicContact CG2-CG 4.35Å; I669-R673 WeakPolarHBondContact O-CB 3.48Å; I669-R673 WeakPolarHBondContact O-CG 3.34Å; I669-R673 PolarHBondContact O-N 2.03Å; S670-R673 PolarHBondContact O-N 3.43Å; R671-R673 VanDerWaalsContact C-N 3.33Å; R671-R673 PolarHBondContact O-N 3.25Å; R673-S676 PolarHBondContact O-N 3.29Å; R673-K677 PolarHBondContact O-N 3.23Å
674	K	86.3	Confident	73.2	Confident	137 Å²	137	88.2 Å²	88.2	60%	0.596	41%	0.413	S	S	*	.	H	α-helix	trans	-69.3	-35.6	177.2	-69.3	168.7	-174.5	174.4	0	111.4	S670 R671 L672 S676 K677 H678	S670-K674 WeakPolarHBondContact O-CG 3.38Å; S670-K674 PolarHBondContact O-N 3.19Å; R671-K674 WeakPolarHBondContact O-CB 3.33Å; R671-K674 PolarHBondContact O-N 3.07Å; R671-K674 VanDerWaalsContact O-N 3.08Å; L672-K674 VanDerWaalsContact C-N 3.28Å; L672-K674 PolarHBondContact O-N 3.19Å; K674-S676 VanDerWaalsContact C-N 3.34Å; K674-S676 PolarHBondContact O-N 3.21Å; K674-K677 PolarHBondContact O-N 2.86Å; K674-H678 PolarHBondContact O-N 2.86Å; K674-H678 VanDerWaalsContact O-N 3.12Å
675	L	75.8	Confident	70.3	Confident	49 Å²	49	89.4 Å²	89.4	26%	0.257	43%	0.428	S	S	.	.	H	α-helix	trans	-61.3	-40.7	173.7	-68.5	168	0	0	0	111.9	R671 L672 K677 H678	R671-L675 PolarHBondContact O-N 2.92Å; L672-L675 HydrophobicContact CD2-CD1 4.2Å; L672-L675 WeakPolarHBondContact O-CB 3.46Å; L672-L675 PolarHBondContact O-N 3.2Å; L675-K677 VanDerWaalsContact C-N 3.32Å; L675-K677 PolarHBondContact O-N 3.39Å; L675-H678 CarbonylContact O-C 3.45Å; L675-H678 PolarHBondContact O-N 3.43Å
676	S	69.5	Low	67.4	Low	37 Å²	37	98.5 Å²	98.5	26%	0.259	47%	0.47	S	S	.	.	H	α-helix	trans	-61	-36.8	175.7	178.4	0	0	0	0	113.1	L672 R673 K674	L672-S676 PolarHBondContact O-N 3.41Å; R673-S676 PolarHBondContact O-N 3.29Å; K674-S676 VanDerWaalsContact C-N 3.34Å; K674-S676 PolarHBondContact O-N 3.21Å
677	K	66.4	Low	64.6	Low	151 Å²	151	102.1 Å²	102.1	66%	0.657	49%	0.491	S	S	*	.	H	α-helix	trans	-80	-28.8	-179.3	-70.8	-174.1	176.9	-174.8	0	114	R673 K674 L675	R673-K677 PolarHBondContact O-N 3.23Å; K674-K677 PolarHBondContact O-N 2.86Å; L675-K677 VanDerWaalsContact C-N 3.32Å; L675-K677 PolarHBondContact O-N 3.39Å
678	H	53.8	Low	61.7	Low	112 Å²	112	106 Å²	106	52%	0.519	51%	0.51	S	S	.	.			trans	-135.8	85	-176.5	-63.7	-67.9	0	0	0	111.1	K674 L675 W680 I681	K674-H678 PolarHBondContact O-N 2.86Å; K674-H678 VanDerWaalsContact O-N 3.12Å; L675-H678 CarbonylContact O-C 3.45Å; L675-H678 PolarHBondContact O-N 3.43Å; H678-W680 PolarHBondContact O-N 2.94Å; H678-I681 HydrophobicContact CB-CD1 3.74Å; H678-I681 HydrophobicContact CB-CG1 4.11Å
679	P	48.6	Very low	59	Low	103 Å²	103	106.4 Å²	106.4	67%	0.669	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-11.7	177.6	-22.9	32.4	0	0	0	114.9
680	W	44.4	Very low	56.2	Low	199 Å²	199	116.2 Å²	116.2	75%	0.754	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	3.9	-169.7	-61	93.1	0	0	0	115.6	H678 Q682	H678-W680 PolarHBondContact O-N 2.94Å; W680-Q682 PolarHBondContact O-N 3.38Å; W680-Q682 VanDerWaalsContact O-N 3.1Å
681	I	37.6	Very low	53.4	Low	133 Å²	133	122.4 Å²	122.4	68%	0.682	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	17.6	-178	-66.6	175.4	0	0	0	113.2	H678	H678-I681 HydrophobicContact CB-CD1 3.74Å; H678-I681 HydrophobicContact CB-CG1 4.11Å
682	Q	35.3	Very low	50.3	Low	134 Å²	134	122.2 Å²	122.2	63%	0.626	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.6	27.3	174.8	-112.3	-172.4	21.3	0	0	115	W680	W680-Q682 PolarHBondContact O-N 3.38Å; W680-Q682 VanDerWaalsContact O-N 3.1Å
683	R	35.2	Very low	47.5	Very low	196 Å²	196	124.8 Å²	124.8	74%	0.74	64%	0.641	S	S	*	*	S	Bend	trans	-108	7.1	169.5	-126.9	-176.1	-146.4	141.6	9.4	116.9
684	D	33.3	Very low	45.2	Very low	134 Å²	134	128.9 Å²	128.9	72%	0.717	67%	0.674	S	S	*	*			trans	-119.2	49.8	176.4	-66.1	-23.2	0	0	0	111.7
685	S	36.5	Very low	42.5	Very low	105 Å²	105	127.6 Å²	127.6	73%	0.734	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	18.4	164.3	-54.3	0	0	0	0	112.9
686	E	38.1	Very low	40.3	Very low	190 Å²	190	132 Å²	132	89%	0.888	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.9	7.1	173.5	-76.6	-166.4	162.5	0	0	114.8
687	T	37.6	Very low	38.5	Very low	88 Å²	88	134.5 Å²	134.5	54%	0.54	73%	0.729	S	S	.	*			trans	-101.3	4.1	176.7	14.9	0	0	0	0	115.9	G689 Y690	T687-G689 PolarHBondContact O-N 2.88Å; T687-Y690 PolarHBondContact O-N 2.93Å
688	E	35.3	Very low	36.6	Very low	192 Å²	192	134.8 Å²	134.8	90%	0.897	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	0.6	170.2	-75.2	-165.7	157.7	0	0	113.9
689	G	41.1	Very low	35.4	Very low	60 Å²	60	138.3 Å²	138.3	62%	0.619	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-10.3	173.4	0	0	0	0	0	116.6	T687	T687-G689 PolarHBondContact O-N 2.88Å
690	Y	36.8	Very low	34.5	Very low	206 Å²	206	141.8 Å²	141.8	81%	0.808	76%	0.759	S	S	*	*	S	Bend	trans	-123	3.7	-167	-81.1	-75.8	0	0	0	117.9	T687	T687-Y690 PolarHBondContact O-N 2.93Å
691	L	35.1	Very low	33.8	Very low	166 Å²	166	139.9 Å²	139.9	87%	0.869	76%	0.762	S	S	*	*			trans	-112.6	26.9	179.7	-66.6	173.5	0	0	0	114.6	G693	L691-G693 PolarHBondContact O-N 3.13Å; L691-G693 VanDerWaalsContact O-N 3.08Å
692	S	30.1	Very low	33.3	Very low	128 Å²	128	142.9 Å²	142.9	90%	0.895	77%	0.773	S	S	*	*			trans	-79.5	72.8	161.3	-64.5	0	0	0	0	110.3
693	G	32.6	Very low	32.8	Very low	56 Å²	56	144.7 Å²	144.7	58%	0.577	78%	0.781	S	S	*	*			trans	-128	124.2	171.9	0	0	0	0	0	109.9	L691 S695	L691-G693 PolarHBondContact O-N 3.13Å; L691-G693 VanDerWaalsContact O-N 3.08Å; G693-S695 PolarHBondContact O-N 2.73Å
694	P	39.3	Very low	32.4	Very low	130 Å²	130	140.7 Å²	140.7	84%	0.844	78%	0.783	S	S	*	*			trans	-83.2	121.2	-169.6	32.2	-30.7	0	0	0	110.4
695	S	31.1	Very low	32.2	Very low	111 Å²	111	140.5 Å²	140.5	78%	0.776	79%	0.787	S	S	*	*			trans	-117.3	91	167.5	52.8	0	0	0	0	109.5	G693	G693-S695 PolarHBondContact O-N 2.73Å
696	T	28.4	Very low	31.8	Very low	141 Å²	141	144.1 Å²	144.1	87%	0.865	79%	0.793	S	S	*	*			trans	-55.8	119.9	151.8	24.4	0	0	0	0	110
697	S	31	Very low	31.4	Very low	90 Å²	90	145.8 Å²	145.8	63%	0.629	79%	0.792	S	S	*	*			trans	-164.2	107.2	146.2	56.5	0	0	0	0	109.6	F699	S697-F699 PolarHBondContact O-N 3.37Å
698	N	27.6	Very low	31	Very low	156 Å²	156	147.4 Å²	147.4	83%	0.834	80%	0.802	S	S	*	*			trans	-49.1	126.2	159.8	-69.5	-15.7	0	0	0	109.3
699	F	29.3	Very low	30.5	Very low	186 Å²	186	147.6 Å²	147.6	82%	0.816	80%	0.795	S	S	*	*			trans	-118.2	101	157.8	-99.7	-88.9	0	0	0	107.5	S697	S697-F699 PolarHBondContact O-N 3.37Å
700	E	29.5	Very low	30	Very low	177 Å²	177	154.2 Å²	154.2	83%	0.827	81%	0.806	S	S	*	*			trans	-63	142.1	168.4	-74.2	175.5	149.7	0	0	109.9	E702	E700-E702 PolarHBondContact O-N 3.13Å
701	I	28.3	Very low	29.7	Very low	159 Å²	159	150 Å²	150	82%	0.815	80%	0.798	S	S	*	*			trans	-79.1	100.1	-176.5	-63.6	164.5	0	0	0	107.7	Q703	I701-Q703 PolarHBondContact O-N 3.47Å
702	E	27.9	Very low	29.5	Very low	195 Å²	195	150.6 Å²	150.6	91%	0.911	80%	0.796	S	S	*	*			trans	-80	101.5	166.2	-88.1	-174.1	158	0	0	110.1	E700	E700-E702 PolarHBondContact O-N 3.13Å
703	Q	25.2	Very low	29.3	Very low	173 Å²	173	154 Å²	154	81%	0.808	80%	0.798	S	S	*	*			trans	-72.1	119.4	155.8	-74.9	177.4	-24.8	0	0	108.9	I701	I701-Q703 PolarHBondContact O-N 3.47Å
704	S	26	Very low	29.2	Very low	111 Å²	111	160 Å²	160	78%	0.776	81%	0.813	S	S	*	*			trans	155.2	113.8	138.1	52.9	0	0	0	0	110.5
705	T	29.5	Very low	28.9	Very low	131 Å²	131	159.3 Å²	159.3	80%	0.804	81%	0.809	S	S	*	*			trans	-143.9	94.3	148.2	19.2	0	0	0	0	107.4	Y707	T705-Y707 PolarHBondContact O-N 3.19Å
706	E	28.2	Very low	28.8	Very low	181 Å²	181	161.5 Å²	161.5	85%	0.846	81%	0.81	S	S	*	*			trans	-58.5	108.4	169.2	-168.1	169.7	-163.9	0	0	109.2	T708	E706-T708 PolarHBondContact O-N 3.23Å
707	Y	29.3	Very low	29	Very low	224 Å²	224	161.5 Å²	161.5	88%	0.878	81%	0.805	S	S	*	*			trans	-79	102.2	173.6	-96.2	-88.8	0	0	0	109.9	T705	T705-Y707 PolarHBondContact O-N 3.19Å
708	T	28.9	Very low	29.2	Very low	122 Å²	122	162.6 Å²	162.6	75%	0.748	81%	0.81	S	S	*	*			trans	-76.3	118.7	172.5	-26.3	0	0	0	0	110.8	E706	E706-T708 PolarHBondContact O-N 3.23Å
709	R	26	Very low	29.2	Very low	197 Å²	197	159.1 Å²	159.1	74%	0.743	80%	0.798	S	S	*	*			trans	34.7	114	138.8	-153.6	-179.3	-158.8	148.5	9.9	118.7	D711	R709-D711 WeakPolarHBondContact CD-OD2 3.19Å; R709-D711 IonicContact CZ-OD2 2.88Å; R709-D711 IonicContact NE-OD1 3.57Å; R709-D711 PolarHBondContact NE-OD1 3.35Å; R709-D711 IonicContact NE-OD2 2.78Å; R709-D711 PolarHBondContact NE-OD2 3.42Å
710	K	30	Very low	29.4	Very low	198 Å²	198	156.6 Å²	156.6	86%	0.861	80%	0.798	S	S	*	*			trans	-121.9	107.9	143.4	-88.8	-173.2	174.3	-178.2	0	109.2	E712	K710-E712 PolarHBondContact O-N 3.34Å
711	D	29.5	Very low	29.3	Very low	118 Å²	118	153.3 Å²	153.3	63%	0.631	79%	0.794	S	S	*	*			trans	-66.9	108.9	165.4	-67.3	-58.5	0	0	0	108.4	R709	R709-D711 WeakPolarHBondContact CD-OD2 3.19Å; R709-D711 IonicContact CZ-OD2 2.88Å; R709-D711 IonicContact NE-OD1 3.57Å; R709-D711 PolarHBondContact NE-OD1 3.35Å; R709-D711 IonicContact NE-OD2 2.78Å; R709-D711 PolarHBondContact NE-OD2 3.42Å
712	E	31.7	Very low	29.6	Very low	179 Å²	179	155.1 Å²	155.1	84%	0.836	79%	0.792	S	S	*	*			trans	-112.8	92	161.3	-82.1	-174.7	172.6	0	0	108.6	K710 M714	K710-E712 PolarHBondContact O-N 3.34Å; E712-M714 PolarHBondContact O-N 3.39Å
713	Q	26.8	Very low	29.8	Very low	198 Å²	198	154.2 Å²	154.2	93%	0.925	79%	0.786	S	S	*	*			trans	-62	112.4	160.2	-88.6	164.5	-22.8	0	0	108.9
714	M	30.3	Very low	30	Very low	182 Å²	182	154.1 Å²	154.1	90%	0.897	79%	0.789	S	S	*	*			trans	-116.9	125.5	163.5	-149.2	175.1	173.6	0	0	108.6	E712	E712-M714 PolarHBondContact O-N 3.39Å
715	P	32.4	Very low	30.4	Very low	117 Å²	117	163.6 Å²	163.6	76%	0.76	81%	0.808	S	S	*	*			trans	-77.6	143.2	-160.9	30	-34.2	0	0	0	112.6	N717	P715-N717 PolarHBondContact O-N 3.19Å
716	I	29.7	Very low	30.4	Very low	157 Å²	157	165.3 Å²	165.3	81%	0.805	81%	0.808	S	S	*	*			trans	-48.6	122.9	164.9	-63.1	160.8	0	0	0	108.5	P718	I716-P718 HydrophobicContact CG2-CB 4.47Å; I716-P718 HydrophobicContact CG2-CG 4.47Å; I716-P718 WeakPolarHBondContact O-CD 3.43Å
717	N	31.8	Very low	30.5	Very low	141 Å²	141	164.4 Å²	164.4	75%	0.754	81%	0.806	S	S	*	*			trans	-102.8	99.3	170.8	-167.5	0.1	0	0	0	108.7	P715	P715-N717 PolarHBondContact O-N 3.19Å
718	P	35.3	Very low	30.6	Very low	112 Å²	112	161.1 Å²	161.1	73%	0.727	80%	0.802	S	S	*	*			trans	-98.7	84.3	180	35.3	-23.6	0	0	0	109.3	I716	I716-P718 HydrophobicContact CG2-CB 4.47Å; I716-P718 HydrophobicContact CG2-CG 4.47Å; I716-P718 WeakPolarHBondContact O-CD 3.43Å
719	S	28.7	Very low	30.7	Very low	84 Å²	84	163.4 Å²	163.4	59%	0.587	81%	0.805	S	S	*	*			trans	-163.6	100.8	163.9	57.9	0	0	0	0	110.6
720	T	32.4	Very low	31	Very low	133 Å²	133	161.3 Å²	161.3	82%	0.816	81%	0.809	S	S	*	*				178.7	83.2	124.1	33.3	0	0	0	0	108.9
721	S	28.2	Very low	31	Very low	107 Å²	107	158.9 Å²	158.9	75%	0.748	81%	0.805	S	S	*	*			trans	-77.4	109.3	158.2	51.5	0	0	0	0	108.9
722	Y	33.7	Very low	31.2	Very low	197 Å²	197	161.8 Å²	161.8	77%	0.773	82%	0.818	S	S	*	*			trans	-137.2	102.7	163	-87.4	-92.5	0	0	0	111.7
723	F	31.9	Very low	31.1	Very low	177 Å²	177	160.5 Å²	160.5	78%	0.776	82%	0.816	S	S	*	*			trans	63.7	99.1	147.7	-67.9	-90.2	0	0	0	121.1
724	I	29.1	Very low	31.5	Very low	170 Å²	170	157.3 Å²	157.3	87%	0.872	81%	0.807	S	S	*	*			trans	-71.9	117.5	137.4	-66.5	170.7	0	0	0	108.3
725	R	34.3	Very low	31.6	Very low	311 Å²	311	155.1 Å²	155.1	100%	1.174	80%	0.799	S	S	*	*			trans	-128.8	0	130.6	-124	-173.5	-174.2	-179.5	2.4	105.9

Retrieved 725 of 725 residues in 2883.2 ms (Link to these results)

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