A0A087WPQ9_MOUSE Loading...

Neurexin III

AlphaFold DB , UniProt , Accession A0A087WPQ9, Species MOUSE (Mus musculus, Mouse), Gene Nrxn3, Length 1,009 aa.

						>A0A087WPQ9_MOUSE|A0A087WPQ9|Nrxn3
MLGSDDFFYVGGSPSTADLPGSPVSNNFMGCLKEVVYKNNDIRLELSRLARIGDTKMKIYGEVVFKCENVATLDPINFETPEAYISLPKWNTKRMGSISFDFRTTEPNGLILFTHGKPQERKDVRSQKNTKVDFFAVELLDGNLYLLLDMGSGTIKVKATQKKANDGEWYHVDIQRDGRSGTISVNSRRTPFTASGESEILDLEGDMYLGGLPENRAGLILPTELWTAMLNYGYVGCIRDLFIDGRSKNIRQLAEMQNAAGVKSSCSRMSAKQCDSYPCKNNAVCKDGWNRFICDCTGTGYWGRTCEREASILSYDGSMYMKVIMPMVMHTEAEDVSFRFMSQRAYGLLVATTSRDSADTLRLELDGGRVKLMVNLDCIRINCNSSKGPETLYAGQKLNDNEWHTVRVVRRGKSLKLTVDDDVAEGTMVGDHTRLEFHNIETGIMTEKRYISVVPSSFIGHLQSLMFNGLLYIDLCKNGDIDYCELKARFGLRNIIADPVTFKTKSSYLTLATLQAYTSMHLFFQFKTTSADGFILFNSGDGNDFIAVELVKGYIHYVFDLGNGPNVIKGNSDRPLNDNQWHNVVITRDSSNTHSLKVDTKVVTQVINGAKNLDLKGDLYMAGLAQGMYSNLPKLVASRDGFQGCLASVDLNGRLPDLINDALHRSGQIERGCEVALTKADLQGPSTTCQEDSCANQGVCMQQWEGFTCDCSMTSYSGNQCNDPGATYIFGKSGGLILYTWPANDRPSTRSDRLAVGFSTTVKDGILVRIDSAPGLGDFLQLHIEQGKIGVVFNIGTVDISIKEERTPVNDGKYHVVRFTRNGGNATLQVDNWPVNEHYPTGRQLTIFNTQAQIAIGGKDKGRLFQGQLSGLYYDGLKVLNMAAENNPNIKINGSVRLVGEVPSVSGTTQTTSMPPEMSTTVMETTTTMATTTTRKNRSTASIQPTSDDLVSSAECSSDDEDFVECEPSTGRSARSSNAARSLRAALTWTWRLTYTLTPLIFISCVVHS
					

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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	33.6	Very low	68.3	Low	247 Å²	247	120.3 Å²	120.3	100%	1.217	66%	0.659	S	S	*	*				0	118.1	0	-76.2	169.3	164.6	0	0	106.7
2	L	38	Very low	70	Confident	180 Å²	180	112.6 Å²	112.6	94%	0.942	63%	0.628	S	S	*	*			trans	-81	122.8	172.3	-77	155	0	0	0	107.6
3	G	43.4	Very low	71	Confident	61 Å²	61	104.8 Å²	104.8	63%	0.629	59%	0.586	S	S	*	*			trans	-67.6	139.1	163.8	0	0	0	0	0	108.9
4	S	56.1	Low	71.4	Confident	97 Å²	97	103.7 Å²	103.7	68%	0.678	59%	0.585	S	S	*	*			trans	-98	105.9	169.6	-177.3	0	0	0	0	107.5	D6	S4-D6 VanDerWaalsContact C-N 3.29Å
5	D	62.6	Low	71.6	Confident	167 Å²	167	98.1 Å²	98.1	89%	0.893	56%	0.555	S	S	*	*			trans	-90.6	6.9	-177.9	-63.6	-21.5	0	0	0	112.6
6	D	77.6	Confident	71.9	Confident	131 Å²	131	92.8 Å²	92.8	70%	0.701	53%	0.525	S	S	*	.	S	Bend	trans	-95.1	-89.2	-170.3	-116.8	-29.9	0	0	0	112.4	S4	S4-D6 VanDerWaalsContact C-N 3.29Å
7	F	85.1	Confident	71.9	Confident	129 Å²	129	88.8 Å²	88.8	57%	0.566	51%	0.507	S	S	*	.			trans	-147.9	141.8	-169.1	-64.7	-82.5	0	0	0	113.1	Y9	F7-Y9 HydrophobicContact CB-CD2 4.3Å; F7-Y9 HydrophobicContact CB-CE1 4.45Å; F7-Y9 HydrophobicContact CB-CE2 3.74Å
8	F	87.2	Confident	72	Confident	109 Å²	109	87.6 Å²	87.6	48%	0.478	50%	0.499	S	S	.	.			trans	-94.1	109.5	163.4	-93.4	-85.9	0	0	0	110.1	Y37 L44 L46	F8-Y37 HydrophobicContact CE1-CD1 4.29Å; F8-Y37 AromaticContact CE1-CD2 3.73Å; F8-Y37 HydrophobicContact CE1-CD2 3.73Å; F8-Y37 HydrophobicContact CE1-CE2 4.28Å; F8-Y37 AromaticContact CE1-CG 3.73Å; F8-Y37 HydrophobicContact CE1-CG 3.73Å; F8-Y37 HydrophobicContact CE2-CD1 4.46Å; F8-Y37 AromaticContact CZ-CD1 3.69Å; F8-Y37 HydrophobicContact CZ-CD1 3.69Å; F8-Y37 AromaticContact CZ-CD2 3.73Å; F8-Y37 HydrophobicContact CZ-CD2 3.73Å; F8-Y37 AromaticContact CZ-CE1 3.91Å; F8-Y37 HydrophobicContact CZ-CE1 3.91Å; F8-Y37 AromaticContact CZ-CE2 3.94Å; F8-Y37 HydrophobicContact CZ-CE2 3.94Å; F8-Y37 AromaticContact CZ-CG 3.59Å; F8-Y37 HydrophobicContact CZ-CG 3.59Å; F8-L44 HydrophobicContact CD2-CD1 4.34Å; F8-L44 HydrophobicContact CE2-CD1 4.12Å; F8-L46 HydrophobicContact CD1-CD1 4Å; F8-L46 HydrophobicContact CG-CD1 4.46Å
9	Y	89.4	Confident	72.2	Confident	103 Å²	103	86.1 Å²	86.1	40%	0.404	49%	0.489	S	S	.	.			trans	-89.2	136.6	171.8	-67.2	-68.6	0	0	0	110.9	F7 G12 P14 L19	F7-Y9 HydrophobicContact CB-CD2 4.3Å; F7-Y9 HydrophobicContact CB-CE1 4.45Å; F7-Y9 HydrophobicContact CB-CE2 3.74Å; Y9-G12 WeakPolarHBondContact CB-O 3.05Å; Y9-P14 VanDerWaalsContact CE1-CD 3.47Å; Y9-P14 HydrophobicContact CE1-CG 4.38Å; Y9-L19 HydrophobicContact CD2-CD1 4.43Å; Y9-L19 HydrophobicContact CD2-CD2 3.98Å; Y9-L19 HydrophobicContact CE2-CD2 3.99Å
10	V	90.4	Very high	72.4	Confident	67 Å²	67	88.6 Å²	88.6	41%	0.406	51%	0.508	S	S	.	.			trans	-136.1	124.9	179.1	-179.3	0	0	0	0	108.7	G12 L32 V35 L46	V10-G12 PolarHBondContact O-N 2.61Å; V10-L32 HydrophobicContact CG1-CD1 3.85Å; V10-V35 HydrophobicContact CG1-CB 4.43Å; V10-V35 HydrophobicContact CG1-CG1 4.08Å; V10-V35 HydrophobicContact CG1-CG2 4.13Å; V10-V35 HydrophobicContact CG2-CG1 4.33Å; V10-L46 HydrophobicContact CG2-CB 4.28Å; V10-L46 HydrophobicContact CG2-CD1 3.71Å
11	G	88.4	Confident	72.5	Confident	32 Å²	32	88.2 Å²	88.2	33%	0.33	52%	0.524	S	S	.	.	S	Bend	trans	73.4	-21.4	-176.9	0	0	0	0	0	114.8	F28	G11-F28 WeakPolarHBondContact O-CB 3.28Å; G11-F28 PolarHBondContact O-N 3.38Å
12	G	87.9	Confident	74.4	Confident	28 Å²	28	78.2 Å²	78.2	29%	0.289	48%	0.478	S	S	.	.			trans	177.2	176.5	177.7	0	0	0	0	0	113.8	Y9 V10 N27	Y9-G12 WeakPolarHBondContact CB-O 3.05Å; V10-G12 PolarHBondContact O-N 2.61Å; G12-N27 WeakPolarHBondContact CA-OD1 3.01Å
13	S	83.1	Confident	76.1	Confident	12 Å²	12	75.2 Å²	75.2	8%	0.084	47%	0.47	C	S	.	.			trans	-142.7	165.4	176.3	59.7	0	0	0	0	111	S15 T16 N27	S13-S15 PolarHBondContact O-N 2.04Å; S13-S15 PolarHBondContact OG-O 3.42Å; S13-T16 WeakPolarHBondContact OG-CA 3.06Å; S13-T16 PolarHBondContact OG-N 3.05Å; S13-T16 PolarHBondContact OG-OG1 3.34Å; S13-N27 PolarHBondContact N-OD1 3.45Å; S13-N27 PolarHBondContact O-OD1 3.34Å
14	P	77.2	Confident	77.7	Confident	89 Å²	89	76 Å²	76	58%	0.578	46%	0.462	S	S	*	.	S	Bend	trans	-57.5	-34.1	176.9	-27.2	36.3	0	0	0	113.7	Y9	Y9-P14 VanDerWaalsContact CE1-CD 3.47Å; Y9-P14 HydrophobicContact CE1-CG 4.38Å
15	S	73.3	Confident	78.9	Confident	19 Å²	19	71.5 Å²	71.5	13%	0.133	43%	0.431	C	S	.	.			trans	-142.9	129.2	160.1	177.9	0	0	0	0	107.9	S13 D18	S13-S15 PolarHBondContact O-N 2.04Å; S13-S15 PolarHBondContact OG-O 3.42Å; S15-D18 WeakPolarHBondContact CB-OD1 3.41Å; S15-D18 VanDerWaalsContact CB-OD2 3.24Å; S15-D18 WeakPolarHBondContact CB-OD2 3.33Å; S15-D18 PolarHBondContact OG-OD1 2.78Å; S15-D18 PolarHBondContact OG-OD2 2.72Å
16	T	77.8	Confident	79.9	Confident	13 Å²	13	65.5 Å²	65.5	8%	0.08	40%	0.398	C	S	.	.	S	Bend	trans	-92.5	-23.8	-178.2	-50	0	0	0	0	112.1	S13 D18 L19 S22 S25 N27	S13-T16 WeakPolarHBondContact OG-CA 3.06Å; S13-T16 PolarHBondContact OG-N 3.05Å; S13-T16 PolarHBondContact OG-OG1 3.34Å; T16-D18 VanDerWaalsContact C-N 3.26Å; T16-D18 PolarHBondContact O-N 2.65Å; T16-L19 HydrophobicContact CG2-CD1 4.38Å; T16-L19 PolarHBondContact O-N 3.14Å; T16-S22 WeakPolarHBondContact O-CB 3.44Å; T16-S25 WeakPolarHBondContact CB-O 3.33Å; T16-N27 PolarHBondContact OG1-OD1 2.84Å
17	A	71.7	Confident	80.3	Confident	25 Å²	25	61 Å²	61	21%	0.207	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-29.6	170.8	0	0	0	0	0	112.5	L19 Q175	A17-L19 PolarHBondContact O-N 3.18Å; A17-Q175 HydrophobicContact CB-CB 4.49Å; A17-Q175 HydrophobicContact CB-CG 4.17Å
18	D	72.7	Confident	80.4	Confident	68 Å²	68	60.2 Å²	60.2	36%	0.364	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-12.6	-178.8	-56.1	12.8	0	0	0	112.8	S15 T16 P20 M95	S15-D18 WeakPolarHBondContact CB-OD1 3.41Å; S15-D18 VanDerWaalsContact CB-OD2 3.24Å; S15-D18 WeakPolarHBondContact CB-OD2 3.33Å; S15-D18 PolarHBondContact OG-OD1 2.78Å; S15-D18 PolarHBondContact OG-OD2 2.72Å; T16-D18 VanDerWaalsContact C-N 3.26Å; T16-D18 PolarHBondContact O-N 2.65Å; D18-P20 WeakPolarHBondContact O-CD 3.39Å; D18-M95 HydrophobicContact CB-CE 3.77Å; D18-M95 HydrophobicContact CB-SD 4.43Å; D18-M95 VanDerWaalsContact OD1-CE 3.29Å; D18-M95 WeakPolarHBondContact OD1-CE 3.43Å
19	L	77.1	Confident	80.2	Confident	59 Å²	59	58.7 Å²	58.7	31%	0.309	37%	0.366	S	S	.	.	S	Bend	trans	-78.2	122.2	-176.2	-65.9	-178.8	0	0	0	111.2	Y9 T16 A17 G21 S22	Y9-L19 HydrophobicContact CD2-CD1 4.43Å; Y9-L19 HydrophobicContact CD2-CD2 3.98Å; Y9-L19 HydrophobicContact CE2-CD2 3.99Å; T16-L19 HydrophobicContact CG2-CD1 4.38Å; T16-L19 PolarHBondContact O-N 3.14Å; A17-L19 PolarHBondContact O-N 3.18Å; L19-G21 PolarHBondContact O-N 2.94Å; L19-S22 WeakPolarHBondContact O-CB 3.42Å; L19-S22 PolarHBondContact O-N 3.16Å
20	P	74.8	Confident	80	Confident	135 Å²	135	55.5 Å²	55.5	88%	0.877	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	121.8	-178	-28.1	35.7	0	0	0	113.1	D18	D18-P20 WeakPolarHBondContact O-CD 3.39Å
21	G	75	Confident	79.9	Confident	81 Å²	81	55 Å²	55	84%	0.835	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	5.7	179.3	0	0	0	0	0	115.4	L19 P23	L19-G21 PolarHBondContact O-N 2.94Å; G21-P23 WeakPolarHBondContact O-CD 2.98Å
22	S	73.9	Confident	79.9	Confident	37 Å²	37	57.4 Å²	57.4	26%	0.259	37%	0.368	S	S	.	.			trans	-65.6	127.5	173.1	-170.7	0	0	0	0	111.3	T16 L19 V24	T16-S22 WeakPolarHBondContact O-CB 3.44Å; L19-S22 WeakPolarHBondContact O-CB 3.42Å; L19-S22 PolarHBondContact O-N 3.16Å; S22-V24 VanDerWaalsContact C-N 3.27Å; S22-V24 PolarHBondContact OG-N 2.83Å; S22-V24 PolarHBondContact OG-O 2.87Å
23	P	72.6	Confident	80.1	Confident	118 Å²	118	63.5 Å²	63.5	77%	0.766	39%	0.387	S	S	*	.	S	Bend	trans	-84.3	-1.4	171.8	35	-34.5	0	0	0	112.9	G21	G21-P23 WeakPolarHBondContact O-CD 2.98Å
24	V	77.3	Confident	80.5	Confident	78 Å²	78	69.5 Å²	69.5	47%	0.473	41%	0.413	S	S	.	.			trans	-136.4	148.5	-173.7	-66.3	0	0	0	0	112	S22	S22-V24 VanDerWaalsContact C-N 3.27Å; S22-V24 PolarHBondContact OG-N 2.83Å; S22-V24 PolarHBondContact OG-O 2.87Å
25	S	81.5	Confident	81.3	Confident	2 Å²	2	67 Å²	67	1%	0.014	40%	0.397	C	S	.	.			trans	-98.7	-13.6	175.5	54.2	0	0	0	0	113.6	T16 D173 G245	T16-S25 WeakPolarHBondContact CB-O 3.33Å; S25-D173 WeakPolarHBondContact CB-OD1 3.43Å; S25-D173 PolarHBondContact OG-OD1 3.48Å; S25-G245 WeakPolarHBondContact O-CA 3.24Å
26	N	84.8	Confident	82.3	Confident	40 Å²	40	68.9 Å²	68.9	21%	0.214	41%	0.407	C	S	.	.	S	Bend	trans	-92.9	141.1	-169.8	-65.8	-17.7	0	0	0	113	S99 F242	N26-S99 VanDerWaalsContact CG-OG 3.28Å; N26-S99 PolarHBondContact ND2-OG 3.02Å; N26-S99 PolarHBondContact OD1-OG 3.4Å; N26-F242 HydrophobicContact CB-CD1 4.08Å; N26-F242 HydrophobicContact CB-CE1 4.18Å; N26-F242 HydrophobicContact CB-CG 4.32Å; N26-F242 VanDerWaalsContact OD1-CB 3.25Å; N26-F242 WeakPolarHBondContact OD1-CB 3.5Å; N26-F242 VanDerWaalsContact OD1-CG 3.32Å; N26-F242 WeakPolarHBondContact OD1-CG 3.29Å
27	N	85.6	Confident	82.9	Confident	37 Å²	37	72.7 Å²	72.7	20%	0.198	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-71	155.3	167.2	-68.6	-60.3	0	0	0	111	G12 S13 T16 M29 G245	G12-N27 WeakPolarHBondContact CA-OD1 3.01Å; S13-N27 PolarHBondContact N-OD1 3.45Å; S13-N27 PolarHBondContact O-OD1 3.34Å; T16-N27 PolarHBondContact OG1-OD1 2.84Å; N27-M29 PolarHBondContact O-N 3.19Å; N27-G245 WeakPolarHBondContact CB-O 3.2Å; N27-G245 PolarHBondContact N-O 3.05Å; N27-G245 VanDerWaalsContact N-O 3.15Å; N27-G245 VanDerWaalsContact ND2-C 3.32Å; N27-G245 PolarHBondContact ND2-O 2.88Å
28	F	86.4	Confident	83.8	Confident	112 Å²	112	78.6 Å²	78.6	49%	0.491	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-71.4	128.2	-179.3	-176.2	-106.4	0	0	0	111.8	G11 G30 L32	G11-F28 WeakPolarHBondContact O-CB 3.28Å; G11-F28 PolarHBondContact O-N 3.38Å; F28-G30 VanDerWaalsContact CE1-CA 3.4Å; F28-L32 HydrophobicContact CD1-CD1 4.15Å; F28-L32 HydrophobicContact CD1-CD2 3.94Å; F28-L32 HydrophobicContact CD1-CG 3.76Å; F28-L32 HydrophobicContact CE1-CD1 4.44Å; F28-L32 HydrophobicContact CE1-CD2 3.49Å; F28-L32 VanDerWaalsContact CE1-CD2 3.49Å; F28-L32 HydrophobicContact CE1-CG 3.57Å; F28-L32 HydrophobicContact CE2-CD2 4.43Å; F28-L32 HydrophobicContact CZ-CD2 3.78Å; F28-L32 HydrophobicContact CZ-CG 4.36Å
29	M	82.9	Confident	84.5	Confident	78 Å²	78	78 Å²	78	38%	0.384	44%	0.438	S	S	.	.			trans	-107.7	102.4	169	-59.9	-158.9	-47.7	0	0	109.1	N27 V70 L73 F242	N27-M29 PolarHBondContact O-N 3.19Å; M29-V70 HydrophobicContact CB-CG1 4.29Å; M29-L73 HydrophobicContact CE-CD1 3.68Å; M29-L73 HydrophobicContact CE-CG 4.16Å; M29-L73 HydrophobicContact SD-CD1 3.85Å; M29-L73 HydrophobicContact SD-CG 4.49Å; M29-F242 HydrophobicContact CE-CZ 3.89Å; M29-F242 HydrophobicContact CG-CE1 4.28Å; M29-F242 HydrophobicContact CG-CZ 4.26Å; M29-F242 HydrophobicContact SD-CE1 4.07Å; M29-F242 HydrophobicContact SD-CZ 3.8Å
30	G	84.8	Confident	85.1	Confident	36 Å²	36	83 Å²	83	37%	0.371	47%	0.466	S	S	.	.	S	Bend	trans	166.2	-175.4	-176.4	0	0	0	0	0	113	F28	F28-G30 VanDerWaalsContact CE1-CA 3.4Å
31	C	88.5	Confident	85.7	Confident	55 Å²	55	83.5 Å²	83.5	37%	0.372	46%	0.461	S	S	.	.			trans	-94.1	126.4	170.8	-56.6	0	0	0	0	111.1	C67	C31-C67 HydrophobicContact CB-CB 3.77Å; C31-C67 WeakPolarHBondContact CB-SG 3.48Å; C31-C67 WeakPolarHBondContact SG-CA 3.5Å; C31-C67 WeakPolarHBondContact SG-CB 3.3Å; C31-C67 CovalentContact SG-SG 2.04Å; C31-C67 PolarHBondContact SG-SG 2.9Å
32	L	89.8	Confident	86.3	Confident	83 Å²	83	84 Å²	84	44%	0.435	44%	0.443	S	S	.	.			trans	-101.9	131.6	166	-65.3	178.1	0	0	0	109.9	V10 F28 V35	V10-L32 HydrophobicContact CG1-CD1 3.85Å; F28-L32 HydrophobicContact CD1-CD1 4.15Å; F28-L32 HydrophobicContact CD1-CD2 3.94Å; F28-L32 HydrophobicContact CD1-CG 3.76Å; F28-L32 HydrophobicContact CE1-CD1 4.44Å; F28-L32 HydrophobicContact CE1-CD2 3.49Å; F28-L32 VanDerWaalsContact CE1-CD2 3.49Å; F28-L32 HydrophobicContact CE1-CG 3.57Å; F28-L32 HydrophobicContact CE2-CD2 4.43Å; F28-L32 HydrophobicContact CZ-CD2 3.78Å; F28-L32 HydrophobicContact CZ-CG 4.36Å; L32-V35 HydrophobicContact CB-CG2 3.97Å
33	K	91.4	Very high	87.2	Confident	157 Å²	157	88.9 Å²	88.9	68%	0.683	46%	0.456	S	S	*	.			trans	-126.6	142.8	179.9	-179.4	172.6	179.8	-87.7	0	110	V35	K33-V35 VanDerWaalsContact C-N 3.26Å; K33-V35 PolarHBondContact O-N 3.08Å
34	E	91.4	Very high	88	Confident	137 Å²	137	85.9 Å²	85.9	64%	0.64	43%	0.433	S	S	*	.	S	Bend	trans	52.1	40.3	171.2	-75.3	155.8	-167	0	0	114.2	V36	E34-V36 PolarHBondContact O-N 2.92Å; E34-V36 VanDerWaalsContact O-N 3.16Å
35	V	94.5	Very high	88.8	Confident	38 Å²	38	85 Å²	85	23%	0.23	42%	0.424	C	S	.	.			trans	-67.9	113.9	174.9	-174.3	0	0	0	0	108.9	V10 L32 K33 E45 L46 S47	V10-V35 HydrophobicContact CG1-CB 4.43Å; V10-V35 HydrophobicContact CG1-CG1 4.08Å; V10-V35 HydrophobicContact CG1-CG2 4.13Å; V10-V35 HydrophobicContact CG2-CG1 4.33Å; L32-V35 HydrophobicContact CB-CG2 3.97Å; K33-V35 VanDerWaalsContact C-N 3.26Å; K33-V35 PolarHBondContact O-N 3.08Å; V35-E45 CarbonylContact O-C 3.38Å; V35-L46 HydrophobicContact CB-CB 4.49Å; V35-L46 HydrophobicContact CG1-CB 4.25Å; V35-L46 HydrophobicContact CG1-CD1 4.18Å; V35-L46 PolarHBondContact O-N 3.29Å; V35-S47 WeakPolarHBondContact CB-OG 3.37Å; V35-S47 WeakPolarHBondContact CG2-OG 3.32Å; V35-S47 PolarHBondContact N-OG 3.22Å; V35-S47 PolarHBondContact O-N 3.34Å
36	V	93.4	Very high	89.3	Confident	58 Å²	58	85.6 Å²	85.6	35%	0.352	43%	0.427	S	S	.	.			trans	-132.2	127.2	179.7	-178.7	0	0	0	0	109.7	E34 R43 L44 E45	E34-V36 PolarHBondContact O-N 2.92Å; E34-V36 VanDerWaalsContact O-N 3.16Å; V36-R43 HydrophobicContact CG1-CG 3.97Å; V36-L44 CarbonylContact C-O 3.55Å; V36-L44 WeakPolarHBondContact CA-O 3.39Å; V36-E45 HydrophobicContact CG1-CG 4.3Å; V36-E45 HydrophobicContact CG2-CB 4.41Å; V36-E45 HydrophobicContact CG2-CG 4.13Å
37	Y	90.8	Very high	89.6	Confident	93 Å²	93	85.5 Å²	85.5	37%	0.365	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	136.4	163.5	174.6	-96	0	0	0	109.3	F8 N39 R43 L44	F8-Y37 HydrophobicContact CE1-CD1 4.29Å; F8-Y37 AromaticContact CE1-CD2 3.73Å; F8-Y37 HydrophobicContact CE1-CD2 3.73Å; F8-Y37 HydrophobicContact CE1-CE2 4.28Å; F8-Y37 AromaticContact CE1-CG 3.73Å; F8-Y37 HydrophobicContact CE1-CG 3.73Å; F8-Y37 HydrophobicContact CE2-CD1 4.46Å; F8-Y37 AromaticContact CZ-CD1 3.69Å; F8-Y37 HydrophobicContact CZ-CD1 3.69Å; F8-Y37 AromaticContact CZ-CD2 3.73Å; F8-Y37 HydrophobicContact CZ-CD2 3.73Å; F8-Y37 AromaticContact CZ-CE1 3.91Å; F8-Y37 HydrophobicContact CZ-CE1 3.91Å; F8-Y37 AromaticContact CZ-CE2 3.94Å; F8-Y37 HydrophobicContact CZ-CE2 3.94Å; F8-Y37 AromaticContact CZ-CG 3.59Å; F8-Y37 HydrophobicContact CZ-CG 3.59Å; Y37-N39 HydrophobicContact CE1-CB 4.32Å; Y37-R43 CarbonylContact O-C 3.59Å; Y37-R43 WeakPolarHBondContact O-CA 3.46Å; Y37-L44 HydrophobicContact CD1-CD1 4.31Å; Y37-L44 PolarHBondContact N-O 3.11Å; Y37-L44 PolarHBondContact O-N 3.48Å
38	K	91.3	Very high	90	Very high	149 Å²	149	89.5 Å²	89.5	65%	0.648	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.9	130.8	175.5	-178.8	-176.3	175.1	-168.3	0	110.1	I42 R43	K38-I42 WeakPolarHBondContact CA-O 3.38Å; K38-R43 HydrophobicContact CG-CB 4.39Å
39	N	87.6	Confident	90.3	Very high	55 Å²	55	85.3 Å²	85.3	29%	0.294	42%	0.424	S	S	.	.			trans	-118.8	-161.4	162	69.7	10	0	0	0	109.6	Y37 D41 I42	Y37-N39 HydrophobicContact CE1-CB 4.32Å; N39-D41 VanDerWaalsContact C-N 3.31Å; N39-D41 PolarHBondContact O-N 3.06Å; N39-D41 PolarHBondContact OD1-N 3.24Å; N39-I42 PolarHBondContact N-O 2.84Å; N39-I42 PolarHBondContact OD1-N 3.43Å; N39-I42 PolarHBondContact OD1-O 2.68Å
40	N	89.4	Confident	90.7	Very high	164 Å²	164	82.5 Å²	82.5	88%	0.877	41%	0.414	S	S	*	.	S	Bend	trans	-69.2	-29.3	-178.6	-69.6	-12.3	0	0	0	113.1
41	D	88	Confident	90.9	Very high	146 Å²	146	89 Å²	89	78%	0.781	43%	0.427	S	S	*	.	S	Bend	trans	-109.8	-24.9	-167.8	-47.8	-66.5	0	0	0	112.9	N39	N39-D41 VanDerWaalsContact C-N 3.31Å; N39-D41 PolarHBondContact O-N 3.06Å; N39-D41 PolarHBondContact OD1-N 3.24Å
42	I	87.4	Confident	91.1	Very high	91 Å²	91	90.8 Å²	90.8	47%	0.467	43%	0.432	S	S	.	.			trans	-136.8	137.1	-169.4	-52.4	177.6	0	0	0	110.7	K38 N39 L44	K38-I42 WeakPolarHBondContact CA-O 3.38Å; N39-I42 PolarHBondContact N-O 2.84Å; N39-I42 PolarHBondContact OD1-N 3.43Å; N39-I42 PolarHBondContact OD1-O 2.68Å; I42-L44 HydrophobicContact CG2-CD2 3.66Å; I42-L44 HydrophobicContact CG2-CG 3.77Å
43	R	91.1	Very high	91	Very high	140 Å²	140	89.5 Å²	89.5	53%	0.528	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	113.8	166.6	178.9	-176.5	170.8	91.2	-2.3	109.4	V36 Y37 K38 E45	V36-R43 HydrophobicContact CG1-CG 3.97Å; Y37-R43 CarbonylContact O-C 3.59Å; Y37-R43 WeakPolarHBondContact O-CA 3.46Å; K38-R43 HydrophobicContact CG-CB 4.39Å; R43-E45 HydrophobicContact CG-CG 4.35Å; R43-E45 IonicContact CZ-OE1 3.39Å; R43-E45 VanDerWaalsContact CZ-OE1 3.29Å; R43-E45 IonicContact NE-OE1 2.8Å; R43-E45 PolarHBondContact NE-OE1 2.74Å; R43-E45 IonicContact NH2-OE1 3.73Å; R43-E45 PolarHBondContact NH2-OE1 3.1Å
44	L	90.9	Very high	91.1	Very high	54 Å²	54	84.7 Å²	84.7	28%	0.283	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	110.3	177.4	-58.8	179.6	0	0	0	110.1	F8 V36 Y37 I42 L46	F8-L44 HydrophobicContact CD2-CD1 4.34Å; F8-L44 HydrophobicContact CE2-CD1 4.12Å; V36-L44 CarbonylContact C-O 3.55Å; V36-L44 WeakPolarHBondContact CA-O 3.39Å; Y37-L44 HydrophobicContact CD1-CD1 4.31Å; Y37-L44 PolarHBondContact N-O 3.11Å; Y37-L44 PolarHBondContact O-N 3.48Å; I42-L44 HydrophobicContact CG2-CD2 3.66Å; I42-L44 HydrophobicContact CG2-CG 3.77Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 HydrophobicContact CB-CD2 3.96Å; L44-L46 HydrophobicContact CB-CG 4.29Å; L44-L46 HydrophobicContact CD1-CD2 4.49Å; L44-L46 PolarHBondContact O-N 2.89Å; L44-L46 VanDerWaalsContact O-N 3.14Å
45	E	93.2	Very high	91	Very high	59 Å²	59	85 Å²	85	28%	0.276	43%	0.432	S	S	.	.			trans	-89.1	70.9	177.2	-60.2	-173.8	153	0	0	110.2	V35 V36 R43 S47 R48 L49	V35-E45 CarbonylContact O-C 3.38Å; V36-E45 HydrophobicContact CG1-CG 4.3Å; V36-E45 HydrophobicContact CG2-CB 4.41Å; V36-E45 HydrophobicContact CG2-CG 4.13Å; R43-E45 HydrophobicContact CG-CG 4.35Å; R43-E45 IonicContact CZ-OE1 3.39Å; R43-E45 VanDerWaalsContact CZ-OE1 3.29Å; R43-E45 IonicContact NE-OE1 2.8Å; R43-E45 PolarHBondContact NE-OE1 2.74Å; R43-E45 IonicContact NH2-OE1 3.73Å; R43-E45 PolarHBondContact NH2-OE1 3.1Å; E45-S47 VanDerWaalsContact C-N 3.3Å; E45-S47 PolarHBondContact O-N 3.01Å; E45-R48 HydrophobicContact CB-CB 3.98Å; E45-R48 WeakPolarHBondContact O-CA 3.44Å; E45-R48 WeakPolarHBondContact O-CB 3.45Å; E45-R48 PolarHBondContact O-N 2.79Å; E45-R48 IonicContact OE2-NE 2.78Å; E45-R48 PolarHBondContact OE2-NE 3.4Å; E45-R48 VanDerWaalsContact OE2-NE 3.08Å; E45-L49 WeakPolarHBondContact O-CG 3.32Å; E45-L49 PolarHBondContact O-N 3.23Å
46	L	93.1	Very high	90.7	Very high	16 Å²	16	92.5 Å²	92.5	8%	0.084	46%	0.462	C	S	.	.	H	α-helix	trans	-52.4	-42.6	-168.6	-59.7	173.5	0	0	0	113	F8 V10 V35 L44 R48 L49 A50 M57	F8-L46 HydrophobicContact CD1-CD1 4Å; F8-L46 HydrophobicContact CG-CD1 4.46Å; V10-L46 HydrophobicContact CG2-CB 4.28Å; V10-L46 HydrophobicContact CG2-CD1 3.71Å; V35-L46 HydrophobicContact CB-CB 4.49Å; V35-L46 HydrophobicContact CG1-CB 4.25Å; V35-L46 HydrophobicContact CG1-CD1 4.18Å; V35-L46 PolarHBondContact O-N 3.29Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 HydrophobicContact CB-CD2 3.96Å; L44-L46 HydrophobicContact CB-CG 4.29Å; L44-L46 HydrophobicContact CD1-CD2 4.49Å; L44-L46 PolarHBondContact O-N 2.89Å; L44-L46 VanDerWaalsContact O-N 3.14Å; L46-R48 VanDerWaalsContact C-N 3.32Å; L46-R48 PolarHBondContact O-N 2.97Å; L46-L49 PolarHBondContact O-N 3.43Å; L46-A50 WeakPolarHBondContact O-CB 3.42Å; L46-A50 PolarHBondContact O-N 2.92Å; L46-M57 HydrophobicContact CB-CE 4.43Å; L46-M57 HydrophobicContact CD2-CE 3.99Å
47	S	91.3	Very high	90.5	Very high	37 Å²	37	92.3 Å²	92.3	26%	0.259	46%	0.457	S	S	.	.	H	α-helix	trans	-62.2	-35.3	174.5	-64.2	0	0	0	0	113.7	V35 E45 R51	V35-S47 WeakPolarHBondContact CB-OG 3.37Å; V35-S47 WeakPolarHBondContact CG2-OG 3.32Å; V35-S47 PolarHBondContact N-OG 3.22Å; V35-S47 PolarHBondContact O-N 3.34Å; E45-S47 VanDerWaalsContact C-N 3.3Å; E45-S47 PolarHBondContact O-N 3.01Å; S47-R51 PolarHBondContact O-N 3.27Å
48	R	92.1	Very high	90.5	Very high	121 Å²	121	95 Å²	95	46%	0.457	47%	0.471	S	S	.	.	H	α-helix	trans	-74.8	-44.6	178	-167.5	-176.2	71.9	76.9	7.9	110.6	E45 L46 A50 R51 I52	E45-R48 HydrophobicContact CB-CB 3.98Å; E45-R48 WeakPolarHBondContact O-CA 3.44Å; E45-R48 WeakPolarHBondContact O-CB 3.45Å; E45-R48 PolarHBondContact O-N 2.79Å; E45-R48 IonicContact OE2-NE 2.78Å; E45-R48 PolarHBondContact OE2-NE 3.4Å; E45-R48 VanDerWaalsContact OE2-NE 3.08Å; L46-R48 VanDerWaalsContact C-N 3.32Å; L46-R48 PolarHBondContact O-N 2.97Å; R48-A50 VanDerWaalsContact C-N 3.34Å; R48-A50 PolarHBondContact O-N 3.08Å; R48-R51 PolarHBondContact O-N 3.35Å; R48-I52 WeakPolarHBondContact O-CG1 3.38Å; R48-I52 PolarHBondContact O-N 3.49Å; R48-I52 VanDerWaalsContact O-N 3.11Å
49	L	93.1	Very high	90.3	Very high	25 Å²	25	92 Å²	92	13%	0.131	46%	0.461	C	S	.	.	H	α-helix	trans	-61.2	-40.3	179.2	-65.1	173.1	0	0	0	111.8	E45 L46 I52 G53 D54 M57	E45-L49 WeakPolarHBondContact O-CG 3.32Å; E45-L49 PolarHBondContact O-N 3.23Å; L46-L49 PolarHBondContact O-N 3.43Å; L49-I52 HydrophobicContact CD2-CD1 4.35Å; L49-G53 PolarHBondContact O-N 3.14Å; L49-D54 HydrophobicContact CB-CB 4.02Å; L49-D54 HydrophobicContact CD2-CB 4.01Å; L49-D54 PolarHBondContact O-N 3.26Å; L49-M57 HydrophobicContact CB-CE 4.03Å
50	A	91.2	Very high	90.3	Very high	19 Å²	19	98 Å²	98	16%	0.157	48%	0.481	C	S	.	.	H	α-helix	trans	-63.2	-46.3	172.6	0	0	0	0	0	112.5	L46 R48 I52 G53 M57 F65	L46-A50 WeakPolarHBondContact O-CB 3.42Å; L46-A50 PolarHBondContact O-N 2.92Å; R48-A50 VanDerWaalsContact C-N 3.34Å; R48-A50 PolarHBondContact O-N 3.08Å; A50-I52 VanDerWaalsContact C-N 3.3Å; A50-I52 PolarHBondContact O-N 2.96Å; A50-G53 PolarHBondContact O-N 3.14Å; A50-M57 HydrophobicContact CB-CG 4.1Å; A50-F65 VanDerWaalsContact C-CZ 3.49Å; A50-F65 HydrophobicContact CB-CE1 3.91Å; A50-F65 HydrophobicContact CB-CZ 3.96Å; A50-F65 WeakPolarHBondContact O-CZ 3.46Å
51	R	89.4	Confident	90	Very high	173 Å²	173	93.5 Å²	93.5	65%	0.653	47%	0.473	S	S	*	.	H	α-helix	trans	-66.1	-29.5	-178.1	-165.4	-177.6	71	170.3	2	113.7	S47 R48 F65	S47-R51 PolarHBondContact O-N 3.27Å; R48-R51 PolarHBondContact O-N 3.35Å; R51-F65 HydrophobicContact CB-CD1 3.8Å; R51-F65 HydrophobicContact CB-CE1 3.82Å; R51-F65 HydrophobicContact CB-CG 4.36Å; R51-F65 HydrophobicContact CB-CZ 4.4Å; R51-F65 HydrophobicContact CG-CB 4.28Å; R51-F65 HydrophobicContact CG-CD1 3.88Å; R51-F65 HydrophobicContact CG-CE1 4.35Å; R51-F65 HydrophobicContact CG-CG 3.99Å
52	I	92.2	Very high	89.6	Confident	91 Å²	91	96 Å²	96	47%	0.467	48%	0.48	S	S	.	.	H	α-helix	trans	-93.3	-3.4	179.8	70.8	-173.9	0	0	0	113.9	R48 L49 A50	R48-I52 WeakPolarHBondContact O-CG1 3.38Å; R48-I52 PolarHBondContact O-N 3.49Å; R48-I52 VanDerWaalsContact O-N 3.11Å; L49-I52 HydrophobicContact CD2-CD1 4.35Å; A50-I52 VanDerWaalsContact C-N 3.3Å; A50-I52 PolarHBondContact O-N 2.96Å
53	G	87.4	Confident	89.5	Confident	57 Å²	57	95.6 Å²	95.6	59%	0.588	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	46.8	-178.4	0	0	0	0	0	113.8	L49 A50	L49-G53 PolarHBondContact O-N 3.14Å; A50-G53 PolarHBondContact O-N 3.14Å
54	D	93.6	Very high	89.3	Confident	56 Å²	56	92.6 Å²	92.6	30%	0.299	48%	0.479	S	S	.	.			trans	-57.2	139.6	174.7	-172.7	-80.8	0	0	0	111.6	L49 K56 M57	L49-D54 HydrophobicContact CB-CB 4.02Å; L49-D54 HydrophobicContact CD2-CB 4.01Å; L49-D54 PolarHBondContact O-N 3.26Å; D54-K56 PolarHBondContact O-N 3.27Å; D54-K56 VanDerWaalsContact O-N 3.15Å; D54-K56 WeakPolarHBondContact OD1-CB 3.26Å; D54-K56 PolarHBondContact OD1-N 3.39Å; D54-M57 HydrophobicContact CB-CB 4.3Å; D54-M57 WeakPolarHBondContact O-CB 3.44Å; D54-M57 PolarHBondContact O-N 2.96Å
55	T	89.6	Confident	89.2	Confident	143 Å²	143	95.2 Å²	95.2	88%	0.877	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.7	-173.7	55.9	0	0	0	0	114.4
56	K	88.4	Confident	88.9	Confident	196 Å²	196	99 Å²	99	85%	0.852	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-7.2	172.3	-62.5	-172.1	176.9	-172.9	0	113.2	D54	D54-K56 PolarHBondContact O-N 3.27Å; D54-K56 VanDerWaalsContact O-N 3.15Å; D54-K56 WeakPolarHBondContact OD1-CB 3.26Å; D54-K56 PolarHBondContact OD1-N 3.39Å
57	M	90.1	Very high	88.5	Confident	53 Å²	53	103 Å²	103	26%	0.261	53%	0.532	S	S	.	.			trans	-95.5	138.6	179.4	-169.6	61.2	71.3	0	0	111.1	L46 L49 A50 D54	L46-M57 HydrophobicContact CB-CE 4.43Å; L46-M57 HydrophobicContact CD2-CE 3.99Å; L49-M57 HydrophobicContact CB-CE 4.03Å; A50-M57 HydrophobicContact CB-CG 4.1Å; D54-M57 HydrophobicContact CB-CB 4.3Å; D54-M57 WeakPolarHBondContact O-CB 3.44Å; D54-M57 PolarHBondContact O-N 2.96Å
58	K	90.3	Very high	88.1	Confident	151 Å²	151	105.7 Å²	105.7	66%	0.657	54%	0.54	S	S	*	.			trans	-124.2	128.6	171.1	-68	-176.2	-179	176.8	0	109.6	Y60	K58-Y60 HydrophobicContact CB-CD2 4.3Å; K58-Y60 HydrophobicContact CB-CE2 3.68Å; K58-Y60 HydrophobicContact CD-CE2 4.34Å
59	I	88	Confident	87.2	Confident	84 Å²	84	107.9 Å²	107.9	43%	0.431	56%	0.561	S	S	.	*			trans	-102.5	127.3	175.3	-59.6	173.6	0	0	0	107.4	V63 F65	I59-V63 HydrophobicContact CG2-CB 3.83Å; I59-V63 HydrophobicContact CG2-CG2 3.56Å; I59-F65 HydrophobicContact CD1-CE2 4.01Å; I59-F65 HydrophobicContact CD1-CZ 3.74Å
60	Y	86.3	Confident	86.2	Confident	183 Å²	183	110.3 Å²	110.3	72%	0.718	58%	0.577	S	S	*	*			trans	-113	122.5	178.2	-72.6	-90.7	0	0	0	109.4	K58	K58-Y60 HydrophobicContact CB-CD2 4.3Å; K58-Y60 HydrophobicContact CB-CE2 3.68Å; K58-Y60 HydrophobicContact CD-CE2 4.34Å
61	G	82.6	Confident	84.9	Confident	69 Å²	69	113.2 Å²	113.2	71%	0.711	60%	0.601	S	S	*	*	S	Bend	trans	83	-177.1	-172.4	0	0	0	0	0	113.5	V63	G61-V63 PolarHBondContact O-N 3.43Å
62	E	81	Confident	83.8	Confident	199 Å²	199	110.2 Å²	110.2	93%	0.93	60%	0.602	S	S	*	*			trans	-85.4	105.2	178.5	-65.3	-172.6	160.8	0	0	110.3
63	V	85.1	Confident	83.1	Confident	81 Å²	81	107.2 Å²	107.2	49%	0.491	59%	0.587	S	S	.	*			trans	-103.5	118.8	177.2	176.8	0	0	0	0	110.3	I59 G61 F65	I59-V63 HydrophobicContact CG2-CB 3.83Å; I59-V63 HydrophobicContact CG2-CG2 3.56Å; G61-V63 PolarHBondContact O-N 3.43Å; V63-F65 HydrophobicContact CG1-CZ 4.37Å
64	V	86.4	Confident	82.8	Confident	78 Å²	78	106.9 Å²	106.9	47%	0.473	57%	0.571	S	S	.	*			trans	-90.9	118.4	178.9	177	0	0	0	0	109.8	K66 E68	V64-K66 HydrophobicContact CG1-CD 4.11Å; V64-K66 HydrophobicContact CG1-CG 3.33Å; V64-K66 PolarHBondContact O-N 2.9Å; V64-E68 HydrophobicContact CG1-CG 4.47Å
65	F	88.3	Confident	82.8	Confident	108 Å²	108	105.7 Å²	105.7	47%	0.474	57%	0.567	S	S	.	*	S	Bend	trans	-81.4	29.6	-177.6	-73.1	-78	0	0	0	115	A50 R51 I59 V63	A50-F65 VanDerWaalsContact C-CZ 3.49Å; A50-F65 HydrophobicContact CB-CE1 3.91Å; A50-F65 HydrophobicContact CB-CZ 3.96Å; A50-F65 WeakPolarHBondContact O-CZ 3.46Å; R51-F65 HydrophobicContact CB-CD1 3.8Å; R51-F65 HydrophobicContact CB-CE1 3.82Å; R51-F65 HydrophobicContact CB-CG 4.36Å; R51-F65 HydrophobicContact CB-CZ 4.4Å; R51-F65 HydrophobicContact CG-CB 4.28Å; R51-F65 HydrophobicContact CG-CD1 3.88Å; R51-F65 HydrophobicContact CG-CE1 4.35Å; R51-F65 HydrophobicContact CG-CG 3.99Å; I59-F65 HydrophobicContact CD1-CE2 4.01Å; I59-F65 HydrophobicContact CD1-CZ 3.74Å; V63-F65 HydrophobicContact CG1-CZ 4.37Å
66	K	87.3	Confident	83.1	Confident	139 Å²	139	99 Å²	99	60%	0.604	53%	0.525	S	S	*	.	S	Bend	trans	-131.5	147.4	168.9	48.4	170.5	166.7	154.9	0	107.6	V64 E68	V64-K66 HydrophobicContact CG1-CD 4.11Å; V64-K66 HydrophobicContact CG1-CG 3.33Å; V64-K66 PolarHBondContact O-N 2.9Å; K66-E68 HydrophobicContact CD-CG 4.17Å; K66-E68 WeakPolarHBondContact CE-OE1 3.45Å; K66-E68 HydrophobicContact CG-CG 4.11Å; K66-E68 IonicContact NZ-OE1 2.61Å; K66-E68 PolarHBondContact NZ-OE1 3.15Å; K66-E68 PolarHBondContact O-N 3.06Å
67	C	85.1	Confident	83.5	Confident	101 Å²	101	89.8 Å²	89.8	68%	0.682	49%	0.486	S	S	*	.			trans	-77.1	121.7	173.6	-177.3	0	0	0	0	109.2	C31	C31-C67 HydrophobicContact CB-CB 3.77Å; C31-C67 WeakPolarHBondContact CB-SG 3.48Å; C31-C67 WeakPolarHBondContact SG-CA 3.5Å; C31-C67 WeakPolarHBondContact SG-CB 3.3Å; C31-C67 CovalentContact SG-SG 2.04Å; C31-C67 PolarHBondContact SG-SG 2.9Å
68	E	83.6	Confident	83.8	Confident	93 Å²	93	87.3 Å²	87.3	44%	0.435	47%	0.473	S	S	.	.			trans	-118.2	158	175.4	-58.7	-167.9	132.7	0	0	109.2	V64 K66 V70	V64-E68 HydrophobicContact CG1-CG 4.47Å; K66-E68 HydrophobicContact CD-CG 4.17Å; K66-E68 WeakPolarHBondContact CE-OE1 3.45Å; K66-E68 HydrophobicContact CG-CG 4.11Å; K66-E68 IonicContact NZ-OE1 2.61Å; K66-E68 PolarHBondContact NZ-OE1 3.15Å; K66-E68 PolarHBondContact O-N 3.06Å; E68-V70 PolarHBondContact O-N 2.87Å; E68-V70 VanDerWaalsContact O-N 3.14Å
69	N	72.8	Confident	84.1	Confident	166 Å²	166	83 Å²	83	89%	0.888	46%	0.456	S	S	*	.			trans	-66.3	115.7	172.3	-72.7	-16	0	0	0	108.7	A71	N69-A71 PolarHBondContact O-N 2.88Å
70	V	70.6	Confident	84.5	Confident	76 Å²	76	81.6 Å²	81.6	46%	0.461	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-66.3	131	172.5	-174.6	0	0	0	0	108.5	M29 E68 T72	M29-V70 HydrophobicContact CB-CG1 4.29Å; E68-V70 PolarHBondContact O-N 2.87Å; E68-V70 VanDerWaalsContact O-N 3.14Å; V70-T72 PolarHBondContact O-N 2.89Å
71	A	64.8	Low	85	Confident	80 Å²	80	74.1 Å²	74.1	66%	0.661	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-60.5	129.1	175.1	0	0	0	0	0	109.9	N69 L73	N69-A71 PolarHBondContact O-N 2.88Å; A71-L73 PolarHBondContact O-N 2.81Å
72	T	65.6	Low	85.6	Confident	111 Å²	111	75.8 Å²	75.8	68%	0.681	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-63.9	130.9	168.1	45.3	0	0	0	0	108.7	V70 D74	V70-T72 PolarHBondContact O-N 2.89Å; T72-D74 VanDerWaalsContact CB-OD1 3.28Å; T72-D74 WeakPolarHBondContact CB-OD1 3.43Å; T72-D74 PolarHBondContact O-N 3.37Å; T72-D74 PolarHBondContact OG1-OD1 2.93Å
73	L	77.3	Confident	86.3	Confident	28 Å²	28	66.5 Å²	66.5	15%	0.147	37%	0.371	C	S	.	.			trans	-77.3	77.3	172.5	-66	175.9	0	0	0	108	M29 A71 N249	M29-L73 HydrophobicContact CE-CD1 3.68Å; M29-L73 HydrophobicContact CE-CG 4.16Å; M29-L73 HydrophobicContact SD-CD1 3.85Å; M29-L73 HydrophobicContact SD-CG 4.49Å; A71-L73 PolarHBondContact O-N 2.81Å; L73-N249 HydrophobicContact CD2-CB 4.46Å
74	D	82.5	Confident	86.9	Confident	49 Å²	49	66.5 Å²	66.5	26%	0.262	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-57.2	141	-171.5	-73.1	-1.8	0	0	0	112	T72 R251	T72-D74 VanDerWaalsContact CB-OD1 3.28Å; T72-D74 WeakPolarHBondContact CB-OD1 3.43Å; T72-D74 PolarHBondContact O-N 3.37Å; T72-D74 PolarHBondContact OG1-OD1 2.93Å; D74-R251 IonicContact OD2-CZ 2.85Å; D74-R251 IonicContact OD2-NH1 2.74Å; D74-R251 PolarHBondContact OD2-NH1 2.02Å; D74-R251 IonicContact OD2-NH2 3.22Å; D74-R251 PolarHBondContact OD2-NH2 2.71Å
75	P	92.8	Very high	87.4	Confident	32 Å²	32	62.8 Å²	62.8	21%	0.208	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-68.7	148	-176	30.3	-37.8	0	0	0	112.1	W169 R239 S264 C266	P75-W169 HydrophobicContact CB-CH2 4.08Å; P75-W169 HydrophobicContact CB-CZ2 4.26Å; P75-R239 HydrophobicContact CB-CB 3.82Å; P75-S264 CarbonylContact O-C 3.57Å; P75-C266 HydrophobicContact CB-CB 3.6Å; P75-C266 HydrophobicContact CG-CB 3.7Å
76	I	95.6	Very high	87.7	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	163.4	166	60.1	170.9	0	0	0	110.8	F78 I85 L209 C237 I238 I250 R251 V262 K263	I76-F78 HydrophobicContact CD1-CD2 4.47Å; I76-F78 HydrophobicContact CD1-CE2 3.55Å; I76-F78 HydrophobicContact CD1-CZ 3.69Å; I76-F78 HydrophobicContact CG1-CE2 4.15Å; I76-I85 HydrophobicContact CD1-CD1 3.32Å; I76-L209 HydrophobicContact CD1-CD2 4.38Å; I76-C237 WeakPolarHBondContact O-CA 3.49Å; I76-C237 WeakPolarHBondContact O-CB 3.39Å; I76-I238 HydrophobicContact CG1-CB 4.45Å; I76-I238 WeakPolarHBondContact CG1-O 3.38Å; I76-I238 PolarHBondContact N-O 3.46Å; I76-I238 PolarHBondContact O-N 2.94Å; I76-I238 VanDerWaalsContact O-N 3.13Å; I76-I250 HydrophobicContact CD1-CB 4.09Å; I76-I250 HydrophobicContact CD1-CD1 3.79Å; I76-I250 HydrophobicContact CD1-CG1 3.95Å; I76-I250 HydrophobicContact CG1-CD1 3.69Å; I76-I250 HydrophobicContact CG1-CG1 4.02Å; I76-I250 HydrophobicContact CG2-CG1 4.19Å; I76-R251 HydrophobicContact CG2-CB 3.98Å; I76-V262 HydrophobicContact CB-CG1 4.1Å; I76-V262 HydrophobicContact CD1-CG1 4.29Å; I76-V262 HydrophobicContact CG2-CG1 4.45Å; I76-K263 CarbonylContact C-O 3.52Å; I76-K263 VanDerWaalsContact CA-O 3.28Å; I76-K263 WeakPolarHBondContact CA-O 3.48Å
77	N	96.7	Very high	88.1	Confident	4 Å²	4	52 Å²	52	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	118.9	176.9	-178.7	68	0	0	0	110.5	C237 V262 K263 S265 W289	N77-C237 PolarHBondContact OD1-SG 2.8Å; N77-C237 VanDerWaalsContact OD1-SG 3.37Å; N77-V262 WeakPolarHBondContact O-CA 2.95Å; N77-K263 HydrophobicContact CB-CB 4.44Å; N77-K263 PolarHBondContact N-O 3.5Å; N77-K263 PolarHBondContact O-N 2.84Å; N77-S265 WeakPolarHBondContact CB-O 3.46Å; N77-W289 PolarHBondContact OD1-NE1 3.15Å
78	F	98.1	Very high	88.3	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	123.4	169.8	-64	-91.4	0	0	0	108.7	I76 A83 I85 L209 Y234 V235 G236 I238 V262	I76-F78 HydrophobicContact CD1-CD2 4.47Å; I76-F78 HydrophobicContact CD1-CE2 3.55Å; I76-F78 HydrophobicContact CD1-CZ 3.69Å; I76-F78 HydrophobicContact CG1-CE2 4.15Å; F78-A83 HydrophobicContact CD1-CB 3.91Å; F78-A83 WeakPolarHBondContact CD1-O 3.46Å; F78-I85 HydrophobicContact CE1-CD1 4.32Å; F78-I85 HydrophobicContact CE1-CG1 4.16Å; F78-I85 HydrophobicContact CZ-CD1 3.93Å; F78-I85 HydrophobicContact CZ-CG1 4.18Å; F78-L209 HydrophobicContact CE2-CD2 4.45Å; F78-L209 HydrophobicContact CE2-CG 4.42Å; F78-L209 HydrophobicContact CZ-CD2 4.12Å; F78-L209 HydrophobicContact CZ-CG 4.03Å; F78-Y234 VanDerWaalsContact CB-O 3.3Å; F78-Y234 WeakPolarHBondContact CB-O 2.9Å; F78-Y234 HydrophobicContact CD2-CD1 4.08Å; F78-Y234 HydrophobicContact CD2-CE1 4.28Å; F78-Y234 HydrophobicContact CG-CD1 4.5Å; F78-V235 VanDerWaalsContact O-CG1 3.27Å; F78-V235 WeakPolarHBondContact O-CG1 3.01Å; F78-G236 PolarHBondContact N-O 2.96Å; F78-G236 PolarHBondContact O-N 2.88Å; F78-I238 HydrophobicContact CD2-CD1 4.43Å; F78-I238 HydrophobicContact CD2-CG1 4.47Å; F78-I238 HydrophobicContact CE2-CB 4.41Å; F78-I238 HydrophobicContact CE2-CD1 3.88Å; F78-I238 HydrophobicContact CE2-CG1 4.14Å; F78-V262 HydrophobicContact CD1-CG2 3.82Å; F78-V262 HydrophobicContact CE1-CG2 3.83Å
79	E	96.1	Very high	88.6	Confident	62 Å²	62	49.5 Å²	49.5	29%	0.29	28%	0.279	S	S	.	.			trans	-100	-21.9	-173	-55.2	-151.5	110.6	0	0	114	G261 K263	E79-G261 WeakPolarHBondContact CB-O 3.47Å; E79-G261 PolarHBondContact N-O 2.99Å; E79-K263 VanDerWaalsContact CD-CE 3.46Å; E79-K263 HydrophobicContact CG-CD 4.5Å; E79-K263 HydrophobicContact CG-CG 4.33Å; E79-K263 VanDerWaalsContact OE1-CD 3.29Å; E79-K263 WeakPolarHBondContact OE1-CD 3.41Å; E79-K263 WeakPolarHBondContact OE1-CE 3.46Å; E79-K263 IonicContact OE1-NZ 2.72Å; E79-K263 PolarHBondContact OE1-NZ 3.09Å; E79-K263 WeakPolarHBondContact OE2-CD 3.36Å; E79-K263 WeakPolarHBondContact OE2-CE 3.33Å; E79-K263 IonicContact OE2-NZ 3.1Å; E79-K263 PolarHBondContact OE2-NZ 2.88Å
80	T	95.9	Very high	89.4	Confident	53 Å²	53	41.9 Å²	41.9	33%	0.325	24%	0.238	S	C	.	.	S	Bend	trans	-138.1	152	-178.8	81.1	0	0	0	0	110.6	E82 A83 V235	T80-E82 WeakPolarHBondContact CB-OE2 3.22Å; T80-E82 PolarHBondContact O-N 3.5Å; T80-E82 PolarHBondContact OG1-OE2 3.13Å; T80-A83 VanDerWaalsContact O-CB 3.3Å; T80-A83 WeakPolarHBondContact O-CB 3.14Å; T80-A83 PolarHBondContact O-N 3.3Å; T80-A83 VanDerWaalsContact O-N 3.14Å; T80-V235 VanDerWaalsContact C-CG2 3.43Å
81	P	95.9	Very high	90.1	Very high	26 Å²	26	44.1 Å²	44.1	17%	0.169	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.1	-177.5	-22.5	34.4	0	0	0	114.6	G233 V235	P81-G233 VanDerWaalsContact O-CA 3.26Å; P81-G233 WeakPolarHBondContact O-CA 3.28Å; P81-V235 HydrophobicContact CB-CG2 4.44Å; P81-V235 HydrophobicContact CG-CG2 3.91Å
82	E	95	Very high	90.6	Very high	105 Å²	105	40.7 Å²	40.7	49%	0.491	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-12.9	-179.8	-46	72.5	-153.9	0	0	111.8	T80 Y84	T80-E82 WeakPolarHBondContact CB-OE2 3.22Å; T80-E82 PolarHBondContact O-N 3.5Å; T80-E82 PolarHBondContact OG1-OE2 3.13Å; E82-Y84 PolarHBondContact O-N 2.97Å
83	A	96.8	Very high	91.3	Very high	3 Å²	3	42.3 Å²	42.3	3%	0.025	22%	0.216	C	C	.	.			trans	-71.2	128	-178.2	0	0	0	0	0	111.3	F78 T80 G210 G211 A260 V262	F78-A83 HydrophobicContact CD1-CB 3.91Å; F78-A83 WeakPolarHBondContact CD1-O 3.46Å; T80-A83 VanDerWaalsContact O-CB 3.3Å; T80-A83 WeakPolarHBondContact O-CB 3.14Å; T80-A83 PolarHBondContact O-N 3.3Å; T80-A83 VanDerWaalsContact O-N 3.14Å; A83-G210 CarbonylContact O-C 3.6Å; A83-G211 PolarHBondContact O-N 2.79Å; A83-A260 WeakPolarHBondContact CB-O 3.46Å; A83-V262 HydrophobicContact CB-CG2 4.19Å
84	Y	97.2	Very high	91.7	Very high	82 Å²	82	46.2 Å²	46.2	32%	0.322	23%	0.229	S	C	.	.			trans	-143.8	163.8	178.3	75.5	-85.6	0	0	0	111.9	E82 Y208 L209 P213	E82-Y84 PolarHBondContact O-N 2.97Å; Y84-Y208 AromaticContact CD2-CD1 3.9Å; Y84-Y208 HydrophobicContact CD2-CD1 3.9Å; Y84-Y208 HydrophobicContact CD2-CE1 4.48Å; Y84-Y208 HydrophobicContact CE2-CD1 4.18Å; Y84-Y208 HydrophobicContact CE2-CE1 4.3Å; Y84-L209 CarbonylContact C-O 3.56Å; Y84-L209 VanDerWaalsContact CA-O 3.27Å; Y84-L209 WeakPolarHBondContact CA-O 3.35Å; Y84-P213 HydrophobicContact CE1-CB 4.01Å
85	I	96.9	Very high	91.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.8	168.7	-62.2	170.3	0	0	0	108.2	I76 F78 L87 L209 L253 A254 A259 V262	I76-I85 HydrophobicContact CD1-CD1 3.32Å; F78-I85 HydrophobicContact CE1-CD1 4.32Å; F78-I85 HydrophobicContact CE1-CG1 4.16Å; F78-I85 HydrophobicContact CZ-CD1 3.93Å; F78-I85 HydrophobicContact CZ-CG1 4.18Å; I85-L87 HydrophobicContact CG2-CD2 4.17Å; I85-L209 HydrophobicContact CB-CB 4.43Å; I85-L209 PolarHBondContact N-O 2.8Å; I85-L209 PolarHBondContact O-N 2.93Å; I85-L253 HydrophobicContact CG2-CB 3.98Å; I85-A254 HydrophobicContact CD1-CB 3.76Å; I85-A254 HydrophobicContact CG1-CB 4.21Å; I85-A259 HydrophobicContact CG1-CB 4.33Å; I85-V262 HydrophobicContact CD1-CG1 4.31Å; I85-V262 HydrophobicContact CG1-CG2 4.34Å
86	S	95.7	Very high	91.7	Very high	19 Å²	19	45.5 Å²	45.5	13%	0.133	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	129	166.3	166.4	0	0	0	0	110.3	D206 Q257	S86-D206 WeakPolarHBondContact OG-CB 3.36Å; S86-D206 PolarHBondContact OG-OD2 3.03Å; S86-Q257 PolarHBondContact O-NE2 3Å
87	L	95.1	Very high	91.6	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	145	173.4	-55.4	177.6	0	0	0	109.5	I85 L112 M207 L209 L241 I250 L253	I85-L87 HydrophobicContact CG2-CD2 4.17Å; L87-L112 HydrophobicContact CD1-CD2 4Å; L87-M207 WeakPolarHBondContact CA-O 3.45Å; L87-M207 HydrophobicContact CB-CB 4.2Å; L87-M207 HydrophobicContact CB-CE 4.34Å; L87-M207 VanDerWaalsContact CB-O 3.24Å; L87-M207 WeakPolarHBondContact CB-O 3.41Å; L87-M207 HydrophobicContact CD1-CE 4.15Å; L87-M207 HydrophobicContact CD1-CG 4.3Å; L87-M207 PolarHBondContact N-O 3.38Å; L87-M207 PolarHBondContact O-N 3.46Å; L87-L209 HydrophobicContact CD1-CB 3.95Å; L87-L209 HydrophobicContact CG-CB 4.15Å; L87-L241 HydrophobicContact CD1-CD2 3.7Å; L87-L241 HydrophobicContact CD2-CD2 4.09Å; L87-I250 HydrophobicContact CD2-CG2 4.45Å; L87-L253 HydrophobicContact CD2-CD1 3.78Å
88	P	89.3	Confident	91.5	Very high	73 Å²	73	45.3 Å²	45.3	47%	0.474	22%	0.222	S	C	.	.			trans	-56	143.8	174.7	-23.7	33.1	0	0	0	112.6	W90	P88-W90 PolarHBondContact O-N 3.29Å
89	K	90.1	Very high	91.4	Very high	69 Å²	69	45.4 Å²	45.4	30%	0.3	22%	0.222	S	C	.	.			trans	-37.9	126.4	175.5	175.5	168.3	163.1	156.4	0	112.6	N91 L203 G205	K89-N91 WeakPolarHBondContact CE-OD1 2.89Å; K89-N91 PolarHBondContact O-N 3.46Å; K89-N91 PolarHBondContact O-ND2 3.42Å; K89-L203 WeakPolarHBondContact CE-O 3.39Å; K89-L203 PolarHBondContact NZ-O 2.96Å; K89-G205 VanDerWaalsContact CB-O 3.32Å; K89-G205 WeakPolarHBondContact CB-O 3.48Å
90	W	90.3	Very high	91.5	Very high	6 Å²	6	42.4 Å²	42.4	2%	0.023	21%	0.208	C	C	.	.			trans	-74.9	111.3	169.1	-172.5	21.4	0	0	0	109.4	P88 T92 I98 F135 L201 L203 M207 I243 D244	P88-W90 PolarHBondContact O-N 3.29Å; W90-T92 HydrophobicContact CD2-CG2 3.48Å; W90-T92 VanDerWaalsContact CD2-CG2 3.48Å; W90-T92 HydrophobicContact CE3-CG2 3.76Å; W90-T92 HydrophobicContact CG-CG2 3.92Å; W90-T92 HydrophobicContact CH2-CG2 4.24Å; W90-T92 HydrophobicContact CZ2-CG2 3.99Å; W90-T92 HydrophobicContact CZ3-CG2 4.12Å; W90-T92 PolarHBondContact O-N 3.41Å; W90-I98 HydrophobicContact CD2-CD1 3.92Å; W90-I98 HydrophobicContact CD2-CG1 4.36Å; W90-I98 HydrophobicContact CE3-CD1 3.71Å; W90-I98 HydrophobicContact CH2-CD1 3.79Å; W90-I98 HydrophobicContact CH2-CG1 3.98Å; W90-I98 HydrophobicContact CZ2-CD1 4Å; W90-I98 HydrophobicContact CZ2-CG1 3.79Å; W90-I98 HydrophobicContact CZ3-CD1 3.65Å; W90-I98 HydrophobicContact CZ3-CG1 4.34Å; W90-F135 HydrophobicContact CH2-CD2 4.43Å; W90-F135 HydrophobicContact CH2-CE2 4.34Å; W90-F135 HydrophobicContact CZ3-CB 4.32Å; W90-F135 HydrophobicContact CZ3-CD1 4.06Å; W90-F135 AromaticContact CZ3-CD2 3.88Å; W90-F135 HydrophobicContact CZ3-CD2 3.88Å; W90-F135 HydrophobicContact CZ3-CE1 4.32Å; W90-F135 HydrophobicContact CZ3-CE2 4.12Å; W90-F135 AromaticContact CZ3-CG 3.83Å; W90-F135 HydrophobicContact CZ3-CG 3.83Å; W90-F135 HydrophobicContact CZ3-CZ 4.34Å; W90-L201 HydrophobicContact CZ3-CD2 4.2Å; W90-L203 HydrophobicContact CB-CD1 4.13Å; W90-L203 HydrophobicContact CD2-CD1 4.26Å; W90-L203 HydrophobicContact CE3-CD1 3.58Å; W90-L203 HydrophobicContact CZ3-CD1 4.38Å; W90-M207 HydrophobicContact CB-CE 3.97Å; W90-I243 HydrophobicContact CG-CG2 4.06Å; W90-D244 VanDerWaalsContact NE1-CG 3.32Å; W90-D244 PolarHBondContact NE1-OD1 3.17Å; W90-D244 PolarHBondContact NE1-OD2 3.16Å
91	N	83.7	Confident	91.5	Very high	123 Å²	123	40.6 Å²	40.6	66%	0.658	20%	0.197	S	C	*	.			trans	-88.7	35.5	-177.2	-67	-65.9	0	0	0	112.6	K89	K89-N91 WeakPolarHBondContact CE-OD1 2.89Å; K89-N91 PolarHBondContact O-N 3.46Å; K89-N91 PolarHBondContact O-ND2 3.42Å
92	T	76.4	Confident	91.6	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.043	19%	0.189	C	C	.	.			trans	-66.1	150	168.4	-178.4	0	0	0	0	110	W90 M95 R176 L201 L203	W90-T92 HydrophobicContact CD2-CG2 3.48Å; W90-T92 VanDerWaalsContact CD2-CG2 3.48Å; W90-T92 HydrophobicContact CE3-CG2 3.76Å; W90-T92 HydrophobicContact CG-CG2 3.92Å; W90-T92 HydrophobicContact CH2-CG2 4.24Å; W90-T92 HydrophobicContact CZ2-CG2 3.99Å; W90-T92 HydrophobicContact CZ3-CG2 4.12Å; W90-T92 PolarHBondContact O-N 3.41Å; T92-M95 PolarHBondContact OG1-O 2.99Å; T92-R176 PolarHBondContact OG1-NH2 2.82Å; T92-R176 VanDerWaalsContact OG1-NH2 3.07Å; T92-L201 HydrophobicContact CG2-CD2 4.1Å; T92-L203 HydrophobicContact CG2-CD1 4.12Å
93	K	79	Confident	91.8	Very high	146 Å²	146	36.3 Å²	36.3	64%	0.635	17%	0.172	S	C	*	.	S	Bend	trans	-127.5	-75.8	166.7	-71.4	-168	174.5	-168.8	0	109.6	R176 I200 L201	K93-R176 PolarHBondContact O-NH2 3.37Å; K93-I200 HydrophobicContact CB-CG2 4.44Å; K93-I200 WeakPolarHBondContact O-CA 3.37Å; K93-L201 PolarHBondContact O-N 3.3Å
94	R	86.4	Confident	91.8	Very high	109 Å²	109	36.1 Å²	36.1	41%	0.411	17%	0.171	S	C	.	.	S	Bend	trans	-93.3	-48	176.7	-169.2	179.9	-165.4	-103.7	5.1	112.5	R176 D177 G178 E199	R94-R176 VanDerWaalsContact O-CZ 3.26Å; R94-R176 PolarHBondContact O-NH1 3.37Å; R94-R176 VanDerWaalsContact O-NH1 3.12Å; R94-R176 PolarHBondContact O-NH2 2.86Å; R94-D177 IonicContact CZ-OD1 3.55Å; R94-D177 IonicContact NH1-OD1 3.7Å; R94-D177 PolarHBondContact NH1-OD1 2.84Å; R94-D177 IonicContact NH1-OD2 2.86Å; R94-D177 PolarHBondContact NH1-OD2 3.37Å; R94-G178 PolarHBondContact O-N 2.95Å; R94-E199 IonicContact CZ-OE2 2.76Å; R94-E199 VanDerWaalsContact CZ-OE2 3.22Å; R94-E199 IonicContact NE-OE2 2.68Å; R94-E199 PolarHBondContact NE-OE2 3.18Å; R94-E199 IonicContact NH2-OE1 2.71Å; R94-E199 PolarHBondContact NH2-OE1 3.14Å; R94-E199 IonicContact NH2-OE2 4Å; R94-E199 PolarHBondContact NH2-OE2 3.47Å
95	M	86.3	Confident	91.8	Very high	63 Å²	63	33.7 Å²	33.7	31%	0.31	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	152.9	-179.5	-60.1	177.1	86.6	0	0	110.2	D18 T92 R176 D177	D18-M95 HydrophobicContact CB-CE 3.77Å; D18-M95 HydrophobicContact CB-SD 4.43Å; D18-M95 VanDerWaalsContact OD1-CE 3.29Å; D18-M95 WeakPolarHBondContact OD1-CE 3.43Å; T92-M95 PolarHBondContact OG1-O 2.99Å; M95-R176 VanDerWaalsContact CA-O 3.29Å; M95-R176 WeakPolarHBondContact CA-O 3.23Å; M95-D177 HydrophobicContact CE-CB 3.89Å; M95-D177 HydrophobicContact CG-CB 4.05Å; M95-D177 WeakPolarHBondContact CG-OD1 3.39Å
96	G	89.9	Confident	91.8	Very high	3 Å²	3	34.4 Å²	34.4	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	158	176.5	0	0	0	0	0	112.4	R176 D244	G96-R176 PolarHBondContact N-O 2.03Å; G96-R176 VanDerWaalsContact N-O 3.15Å; G96-R176 PolarHBondContact O-N 3.14Å; G96-D244 VanDerWaalsContact CA-OD1 3.3Å; G96-D244 WeakPolarHBondContact CA-OD1 3.22Å
97	S	92.8	Very high	91.9	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	146.5	174.9	51.8	0	0	0	0	113.1	I174 D244	S97-I174 CarbonylContact C-O 3.59Å; S97-I174 WeakPolarHBondContact CA-O 3.31Å; S97-I174 WeakPolarHBondContact CB-O 3.27Å; S97-D244 PolarHBondContact N-OD1 2.82Å; S97-D244 PolarHBondContact O-N 3.02Å
98	I	95.5	Very high	92	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	128.4	170.9	-61.9	-179.8	0	0	0	107.6	W90 F100 L112 F135 I174 M207 L241 F242 I243	W90-I98 HydrophobicContact CD2-CD1 3.92Å; W90-I98 HydrophobicContact CD2-CG1 4.36Å; W90-I98 HydrophobicContact CE3-CD1 3.71Å; W90-I98 HydrophobicContact CH2-CD1 3.79Å; W90-I98 HydrophobicContact CH2-CG1 3.98Å; W90-I98 HydrophobicContact CZ2-CD1 4Å; W90-I98 HydrophobicContact CZ2-CG1 3.79Å; W90-I98 HydrophobicContact CZ3-CD1 3.65Å; W90-I98 HydrophobicContact CZ3-CG1 4.34Å; I98-F100 HydrophobicContact CG2-CD1 4.13Å; I98-L112 HydrophobicContact CG2-CD1 4.05Å; I98-F135 HydrophobicContact CD1-CD1 4.49Å; I98-F135 HydrophobicContact CD1-CE1 3.81Å; I98-F135 HydrophobicContact CD1-CZ 4.06Å; I98-I174 PolarHBondContact N-O 3.07Å; I98-I174 PolarHBondContact O-N 3Å; I98-M207 HydrophobicContact CD1-CE 4.49Å; I98-M207 HydrophobicContact CD1-SD 4.14Å; I98-L241 HydrophobicContact CG2-CD1 4.13Å; I98-F242 WeakPolarHBondContact CA-O 3.45Å; I98-I243 HydrophobicContact CG1-CG1 4.49Å
99	S	95.8	Very high	92.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.007	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.8	168.2	74.1	0	0	0	0	111.4	N26 V172 L241 F242	N26-S99 VanDerWaalsContact CG-OG 3.28Å; N26-S99 PolarHBondContact ND2-OG 3.02Å; N26-S99 PolarHBondContact OD1-OG 3.4Å; S99-V172 CarbonylContact C-O 3.54Å; S99-V172 WeakPolarHBondContact CA-O 3.37Å; S99-V172 VanDerWaalsContact CB-O 3.3Å; S99-V172 WeakPolarHBondContact CB-O 3.22Å; S99-L241 CarbonylContact O-C 3.59Å; S99-L241 WeakPolarHBondContact O-CA 3.38Å; S99-F242 PolarHBondContact N-O 2.69Å; S99-F242 PolarHBondContact O-N 3.45Å
100	F	97.2	Very high	92.8	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	158.3	177	61.6	-86.7	0	0	0	110.7	I98 F102 I111 L112 V137 V172 I238 L241	I98-F100 HydrophobicContact CG2-CD1 4.13Å; F100-F102 HydrophobicContact CD2-CB 4.2Å; F100-F102 HydrophobicContact CE2-CB 4.05Å; F100-F102 AromaticContact CE2-CD1 3.95Å; F100-F102 HydrophobicContact CE2-CD1 3.95Å; F100-F102 HydrophobicContact CE2-CG 4.35Å; F100-I111 HydrophobicContact CE2-CG2 3.77Å; F100-I111 HydrophobicContact CZ-CG2 3.88Å; F100-L112 HydrophobicContact CD1-CD1 4.1Å; F100-L112 HydrophobicContact CE1-CD1 3.75Å; F100-L112 HydrophobicContact CZ-CD1 4.45Å; F100-V137 HydrophobicContact CZ-CG1 4.24Å; F100-V172 HydrophobicContact CD1-CB 4.45Å; F100-V172 HydrophobicContact CE1-CB 4.12Å; F100-V172 HydrophobicContact CE1-CG1 4.02Å; F100-V172 HydrophobicContact CE2-CB 4.2Å; F100-V172 HydrophobicContact CE2-CG2 4.11Å; F100-V172 HydrophobicContact CZ-CB 3.99Å; F100-V172 HydrophobicContact CZ-CG1 4.04Å; F100-V172 HydrophobicContact CZ-CG2 4.17Å; F100-V172 PolarHBondContact N-O 3.32Å; F100-V172 PolarHBondContact O-N 3.49Å; F100-I238 HydrophobicContact CB-CG2 4.45Å; F100-I238 HydrophobicContact CD2-CG2 4.5Å; F100-L241 HydrophobicContact CB-CD1 3.99Å
101	D	97	Very high	93.2	Very high	15 Å²	15	30.7 Å²	30.7	8%	0.08	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.6	168.5	-84.3	20.3	0	0	0	109.5	W169 Y170 H171 I238 R239	D101-W169 HydrophobicContact CB-CE3 3.82Å; D101-W169 HydrophobicContact CB-CZ3 4.02Å; D101-Y170 WeakPolarHBondContact CA-O 3.36Å; D101-H171 WeakPolarHBondContact OD1-CA 3.44Å; D101-H171 WeakPolarHBondContact OD1-CB 3.03Å; D101-H171 IonicContact OD1-CE1 2.84Å; D101-H171 IonicContact OD1-CG 3.26Å; D101-H171 IonicContact OD1-ND1 2.68Å; D101-H171 PolarHBondContact OD1-ND1 3.22Å; D101-I238 WeakPolarHBondContact O-CA 3.36Å; D101-R239 HydrophobicContact CB-CG 3.53Å; D101-R239 PolarHBondContact N-O 3.22Å; D101-R239 PolarHBondContact O-N 3.07Å; D101-R239 IonicContact OD2-CZ 3.29Å; D101-R239 VanDerWaalsContact OD2-CZ 3.26Å; D101-R239 IonicContact OD2-NE 2.87Å; D101-R239 PolarHBondContact OD2-NE 3.15Å; D101-R239 IonicContact OD2-NH2 2.83Å; D101-R239 PolarHBondContact OD2-NH2 2.84Å
102	F	98.2	Very high	93.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	156.5	172.1	81.2	-84.3	0	0	0	112.9	F100 I111 L139 L144 A164 Y170 V172 Y234 C237	F100-F102 HydrophobicContact CD2-CB 4.2Å; F100-F102 HydrophobicContact CE2-CB 4.05Å; F100-F102 AromaticContact CE2-CD1 3.95Å; F100-F102 HydrophobicContact CE2-CD1 3.95Å; F100-F102 HydrophobicContact CE2-CG 4.35Å; F102-I111 HydrophobicContact CD2-CD1 4.4Å; F102-I111 HydrophobicContact CG-CD1 4.44Å; F102-L139 HydrophobicContact CE2-CD1 4.49Å; F102-L144 HydrophobicContact CE1-CD1 4.21Å; F102-L144 HydrophobicContact CE1-CD2 4.06Å; F102-L144 HydrophobicContact CZ-CD1 4.19Å; F102-A164 HydrophobicContact CE2-CB 4.42Å; F102-A164 HydrophobicContact CZ-CB 3.93Å; F102-Y170 VanDerWaalsContact CE1-CB 3.5Å; F102-Y170 HydrophobicContact CE1-CG 4.3Å; F102-Y170 HydrophobicContact CE2-CD2 4.48Å; F102-Y170 HydrophobicContact CZ-CD2 4.26Å; F102-Y170 HydrophobicContact CZ-CG 4.19Å; F102-Y170 PolarHBondContact N-O 3.48Å; F102-Y170 PolarHBondContact O-N 3.41Å; F102-V172 HydrophobicContact CD1-CG2 3.61Å; F102-V172 HydrophobicContact CE1-CG2 3.52Å; F102-Y234 HydrophobicContact CD2-CE2 4.3Å; F102-C237 CarbonylContact C-O 3.51Å; F102-C237 VanDerWaalsContact CA-O 3.29Å; F102-C237 WeakPolarHBondContact CA-O 3.49Å
103	R	97.6	Very high	94.9	Very high	40 Å²	40	24.5 Å²	24.5	15%	0.151	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	120	179.1	177.2	176.7	-161.5	178.1	15.1	111.7	G167 E168 W169 Y234 G236 C237 W289	R103-G167 VanDerWaalsContact CZ-O 3.22Å; R103-G167 PolarHBondContact NE-O 2.99Å; R103-G167 PolarHBondContact NH2-O 3.03Å; R103-E168 WeakPolarHBondContact CG-O 3.3Å; R103-E168 IonicContact NH2-OE1 2.73Å; R103-E168 PolarHBondContact NH2-OE1 3.19Å; R103-E168 IonicContact NH2-OE2 3.85Å; R103-E168 PolarHBondContact NH2-OE2 3.16Å; R103-W169 HydrophobicContact CB-CD2 3.72Å; R103-W169 HydrophobicContact CB-CE3 3.55Å; R103-W169 HydrophobicContact CB-CG 4.28Å; R103-W169 HydrophobicContact CB-CH2 4.33Å; R103-W169 HydrophobicContact CB-CZ2 4.47Å; R103-W169 HydrophobicContact CB-CZ3 3.87Å; R103-W169 HydrophobicContact CG-CD2 4.42Å; R103-Y234 PolarHBondContact N-OH 3.47Å; R103-Y234 PolarHBondContact O-OH 3.48Å; R103-Y234 VanDerWaalsContact O-OH 3.1Å; R103-G236 WeakPolarHBondContact O-CA 3.48Å; R103-C237 HydrophobicContact CB-CB 4.31Å; R103-C237 PolarHBondContact N-O 3.01Å; R103-C237 PolarHBondContact O-N 3.09Å; R103-W289 HydrophobicContact CG-CH2 3.63Å; R103-W289 HydrophobicContact CG-CZ2 4.27Å; R103-W289 HydrophobicContact CG-CZ3 4.1Å
104	T	98	Very high	95.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.			trans	-154.1	164.7	176.2	-170.7	0	0	0	0	112.6	E106 L139 N165 G167 Y234 V235	T104-E106 WeakPolarHBondContact OG1-CB 3.38Å; T104-E106 PolarHBondContact OG1-N 2.99Å; T104-L139 HydrophobicContact CG2-CD2 3.74Å; T104-N165 HydrophobicContact CG2-CB 4.4Å; T104-N165 CarbonylContact O-C 3.58Å; T104-N165 VanDerWaalsContact O-C 3.25Å; T104-N165 WeakPolarHBondContact O-CA 3.15Å; T104-G167 WeakPolarHBondContact O-CA 3.5Å; T104-G167 PolarHBondContact O-N 2.97Å; T104-Y234 HydrophobicContact CG2-CE2 3.72Å; T104-V235 WeakPolarHBondContact CB-O 3.42Å; T104-V235 PolarHBondContact OG1-O 2.91Å
105	T	96.7	Very high	96.1	Very high	31 Å²	31	13.5 Å²	13.5	19%	0.19	7%	0.071	C	C	.	.	S	Bend	trans	-103.7	-11.2	163.7	45.1	0	0	0	0	113	N165 G288 W289	T105-N165 WeakPolarHBondContact CA-O 3.39Å; T105-N165 PolarHBondContact O-ND2 3.06Å; T105-G288 VanDerWaalsContact OG1-C 3.31Å; T105-G288 PolarHBondContact OG1-O 2.9Å; T105-W289 HydrophobicContact CG2-CE3 4.1Å; T105-W289 HydrophobicContact CG2-CZ3 4.39Å; T105-W289 WeakPolarHBondContact OG1-CA 3.02Å; T105-W289 PolarHBondContact OG1-N 2.88Å
106	E	97.6	Very high	96.3	Very high	14 Å²	14	10.6 Å²	10.6	7%	0.065	6%	0.058	C	C	.	.			trans	-71.1	137	-177.6	-59.1	-94.4	170	0	0	110.4	T104 L139 N165 V235 G288 W289 R291 I293	T104-E106 WeakPolarHBondContact OG1-CB 3.38Å; T104-E106 PolarHBondContact OG1-N 2.99Å; E106-L139 WeakPolarHBondContact O-CD2 3.01Å; E106-N165 VanDerWaalsContact O-CB 3.23Å; E106-N165 WeakPolarHBondContact O-CB 3.41Å; E106-V235 HydrophobicContact CG-CB 4.01Å; E106-V235 HydrophobicContact CG-CG1 4.49Å; E106-G288 VanDerWaalsContact OE1-CA 3.27Å; E106-G288 WeakPolarHBondContact OE1-CA 3.46Å; E106-W289 HydrophobicContact CG-CB 3.93Å; E106-W289 PolarHBondContact OE1-N 2.79Å; E106-R291 VanDerWaalsContact CD-NH2 3.27Å; E106-R291 IonicContact OE1-CZ 3.86Å; E106-R291 IonicContact OE1-NE 2.76Å; E106-R291 PolarHBondContact OE1-NE 2.97Å; E106-R291 IonicContact OE1-NH2 3.83Å; E106-R291 PolarHBondContact OE1-NH2 2.9Å; E106-R291 VanDerWaalsContact OE1-NH2 3.1Å; E106-R291 IonicContact OE2-CZ 3.31Å; E106-R291 IonicContact OE2-NE 3.68Å; E106-R291 IonicContact OE2-NH2 3.01Å; E106-R291 PolarHBondContact OE2-NH2 3.48Å; E106-I293 WeakPolarHBondContact OE2-CD1 3.44Å
107	P	97.1	Very high	96.1	Very high	49 Å²	49	16 Å²	16	32%	0.318	8%	0.08	S	C	.	.	S	Bend	trans	-79.5	-22.2	-176.8	31.3	-35.2	0	0	0	113.3	L140 D141 G142	P107-L140 CarbonylContact O-C 3.58Å; P107-D141 PolarHBondContact O-N 3.1Å; P107-D141 VanDerWaalsContact O-N 3.07Å; P107-G142 PolarHBondContact O-N 2.94Å
108	N	97.9	Very high	95.7	Very high	38 Å²	38	19 Å²	19	20%	0.203	10%	0.1	C	C	.	.			trans	-129.5	147.3	-175	-55.9	-42.8	0	0	0	110.2	L139 D141 Y232	N108-L139 CarbonylContact C-O 3.54Å; N108-L139 VanDerWaalsContact CA-O 3.27Å; N108-L139 WeakPolarHBondContact CA-O 3.21Å; N108-D141 PolarHBondContact OD1-N 2.8Å; N108-Y232 HydrophobicContact CB-CD2 3.54Å; N108-Y232 HydrophobicContact CB-CE2 4.01Å; N108-Y232 HydrophobicContact CB-CG 3.94Å; N108-Y232 WeakPolarHBondContact ND2-CE2 3.44Å
109	G	97.9	Very high	94.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.6	134	173.6	0	0	0	0	0	114	I111 L139 Y232	G109-I111 PolarHBondContact O-N 3.44Å; G109-L139 PolarHBondContact N-O 2.97Å; G109-L139 PolarHBondContact O-N 2.92Å; G109-Y232 CarbonylContact C-O 3.6Å; G109-Y232 WeakPolarHBondContact CA-O 3.48Å
110	L	98.4	Very high	92.9	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	115.3	171.2	-177.8	62.3	0	0	0	110.1	F113 E138 G210 L212 L225 A228 Y232 Y234	L110-F113 HydrophobicContact CD1-CB 4.24Å; L110-F113 HydrophobicContact CD2-CB 4.06Å; L110-F113 HydrophobicContact CG-CB 4.42Å; L110-E138 HydrophobicContact CD1-CB 4.32Å; L110-G210 CarbonylContact O-C 3.59Å; L110-G210 VanDerWaalsContact O-C 3.3Å; L110-G210 VanDerWaalsContact O-O 3.12Å; L110-L212 HydrophobicContact CD2-CD1 3.89Å; L110-L212 HydrophobicContact CD2-CD2 3.82Å; L110-L212 HydrophobicContact CD2-CG 3.66Å; L110-L225 HydrophobicContact CD1-CD1 3.8Å; L110-L225 HydrophobicContact CD1-CD2 4.07Å; L110-L225 HydrophobicContact CD1-CG 4.24Å; L110-A228 HydrophobicContact CD2-CB 4.33Å; L110-Y232 PolarHBondContact N-O 3.16Å; L110-Y234 VanDerWaalsContact O-CB 3.23Å; L110-Y234 WeakPolarHBondContact O-CB 3.28Å
111	I	98.4	Very high	90.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-49.6	-175.8	-59.6	179.8	0	0	0	110.7	F100 F102 G109 V137 L139 L144 L209 G210 Y234 I238	F100-I111 HydrophobicContact CE2-CG2 3.77Å; F100-I111 HydrophobicContact CZ-CG2 3.88Å; F102-I111 HydrophobicContact CD2-CD1 4.4Å; F102-I111 HydrophobicContact CG-CD1 4.44Å; G109-I111 PolarHBondContact O-N 3.44Å; I111-V137 WeakPolarHBondContact CA-O 3.3Å; I111-V137 HydrophobicContact CB-CB 4.48Å; I111-V137 HydrophobicContact CB-CG1 4.44Å; I111-V137 WeakPolarHBondContact CB-O 3.26Å; I111-V137 PolarHBondContact N-O 2.8Å; I111-L139 HydrophobicContact CD1-CB 4.49Å; I111-L144 HydrophobicContact CD1-CD1 3.66Å; I111-L209 WeakPolarHBondContact O-CA 3.27Å; I111-G210 PolarHBondContact O-N 2.99Å; I111-Y234 HydrophobicContact CD1-CD2 4.11Å; I111-Y234 HydrophobicContact CD1-CE2 4.15Å; I111-Y234 HydrophobicContact CG1-CD2 3.64Å; I111-Y234 HydrophobicContact CG1-CE2 4.15Å; I111-Y234 HydrophobicContact CG1-CG 4.05Å; I111-I238 HydrophobicContact CG2-CD1 3.92Å
112	L	98.1	Very high	88.3	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	141.4	178.9	-81.7	168.3	0	0	0	110.6	L87 I98 F100 F135 A136 V137 M207 Y208 L209	L87-L112 HydrophobicContact CD1-CD2 4Å; I98-L112 HydrophobicContact CG2-CD1 4.05Å; F100-L112 HydrophobicContact CD1-CD1 4.1Å; F100-L112 HydrophobicContact CE1-CD1 3.75Å; F100-L112 HydrophobicContact CZ-CD1 4.45Å; L112-F135 HydrophobicContact CB-CE1 4.49Å; L112-F135 HydrophobicContact CD1-CE1 4.48Å; L112-A136 CarbonylContact O-C 3.52Å; L112-A136 WeakPolarHBondContact O-CA 3.41Å; L112-V137 HydrophobicContact CB-CB 4.23Å; L112-V137 HydrophobicContact CB-CG2 4.39Å; L112-V137 PolarHBondContact N-O 3.07Å; L112-V137 VanDerWaalsContact N-O 3.09Å; L112-V137 PolarHBondContact O-N 3.47Å; L112-M207 HydrophobicContact CD2-CG 4.17Å; L112-M207 HydrophobicContact CD2-SD 4.18Å; L112-Y208 WeakPolarHBondContact CA-O 3.23Å; L112-L209 HydrophobicContact CD2-CB 4.29Å; L112-L209 HydrophobicContact CD2-CD1 3.54Å; L112-L209 HydrophobicContact CG-CD1 3.94Å
113	F	97.6	Very high	85.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	140.1	170.9	178.2	-119.2	0	0	0	113	L110 H115 F134 A136 M207 Y208 L212 L219 I220 L221 P222 L225	L110-F113 HydrophobicContact CD1-CB 4.24Å; L110-F113 HydrophobicContact CD2-CB 4.06Å; L110-F113 HydrophobicContact CG-CB 4.42Å; F113-H115 AromaticContact CE1-CD2 3.78Å; F113-H115 HydrophobicContact CE2-CB 4.47Å; F113-H115 HydrophobicContact CZ-CB 4.02Å; F113-H115 AromaticContact CZ-CD2 3.83Å; F113-F134 HydrophobicContact CE2-CB 4.31Å; F113-F134 HydrophobicContact CE2-CD2 4.25Å; F113-A136 HydrophobicContact CD2-CB 4.03Å; F113-M207 CarbonylContact O-C 3.58Å; F113-Y208 HydrophobicContact CD1-CD2 4.38Å; F113-Y208 PolarHBondContact N-O 3.44Å; F113-Y208 PolarHBondContact O-N 3.35Å; F113-L212 HydrophobicContact CB-CD2 4.32Å; F113-L212 HydrophobicContact CD1-CD2 3.68Å; F113-L212 HydrophobicContact CG-CD2 4.4Å; F113-L219 HydrophobicContact CE1-CD1 4.05Å; F113-L219 HydrophobicContact CE1-CG 4.32Å; F113-I220 WeakPolarHBondContact CZ-O 3.41Å; F113-L221 HydrophobicContact CE1-CD2 3.78Å; F113-L221 HydrophobicContact CZ-CD2 4.13Å; F113-P222 HydrophobicContact CE2-CG 4.29Å; F113-L225 HydrophobicContact CB-CD2 4.44Å; F113-L225 HydrophobicContact CD2-CD2 3.31Å; F113-L225 HydrophobicContact CE2-CD2 3.57Å; F113-L225 HydrophobicContact CG-CD2 3.88Å; F113-L225 HydrophobicContact CZ-CD2 4.31Å
114	T	95.4	Very high	82.9	Confident	1 Å²	1	55 Å²	55	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	149.2	169.2	-179.4	0	0	0	0	109.8	F134 F135 L203 D206 M207	T114-F134 WeakPolarHBondContact O-CA 3.41Å; T114-F134 WeakPolarHBondContact O-CB 3.36Å; T114-F135 HydrophobicContact CG2-CB 4.13Å; T114-F135 HydrophobicContact CG2-CD1 4.41Å; T114-F135 PolarHBondContact N-O 2.92Å; T114-F135 PolarHBondContact O-N 2.6Å; T114-L203 HydrophobicContact CG2-CD1 3.64Å; T114-L203 HydrophobicContact CG2-CD2 4.04Å; T114-L203 HydrophobicContact CG2-CG 4.36Å; T114-D206 PolarHBondContact OG1-O 2.6Å; T114-M207 HydrophobicContact CG2-CB 4.3Å; T114-M207 HydrophobicContact CG2-CG 4.09Å; T114-M207 HydrophobicContact CG2-SD 4.02Å
115	H	93.8	Very high	80.4	Confident	22 Å²	22	64.9 Å²	64.9	10%	0.102	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	160.4	-178.6	70.9	79.5	0	0	0	112.5	F113 V132 D133 F134 E204 I220	F113-H115 AromaticContact CE1-CD2 3.78Å; F113-H115 HydrophobicContact CE2-CB 4.47Å; F113-H115 HydrophobicContact CZ-CB 4.02Å; F113-H115 AromaticContact CZ-CD2 3.83Å; H115-V132 HydrophobicContact CB-CB 4.25Å; H115-V132 HydrophobicContact CB-CG2 3.94Å; H115-D133 CarbonylContact C-O 3.55Å; H115-D133 WeakPolarHBondContact CA-O 3.43Å; H115-F134 HydrophobicContact CB-CB 4.06Å; H115-E204 PolarHBondContact O-N 3.32Å; H115-I220 PolarHBondContact CD2-O 3.4Å; H115-I220 PolarHBondContact NE2-N 3.25Å; H115-I220 VanDerWaalsContact NE2-N 3.14Å
116	G	91.1	Very high	77.8	Confident	2 Å²	2	66.2 Å²	66.2	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-175	175.6	0	0	0	0	0	113.4	V132 D133 D202	G116-V132 WeakPolarHBondContact O-CG1 3.29Å; G116-D133 PolarHBondContact N-O 3Å; G116-D202 WeakPolarHBondContact CA-O 3.45Å
117	K	86.5	Confident	75.4	Confident	116 Å²	116	69.3 Å²	69.3	50%	0.504	33%	0.334	S	S	.	.			trans	-64.1	145.4	168.6	-94.6	171.5	169.3	125.8	0	111.2	Q119 E204	K117-Q119 PolarHBondContact O-N 3.16Å; K117-Q119 VanDerWaalsContact O-N 3.14Å; K117-E204 HydrophobicContact CD-CG 4.48Å; K117-E204 WeakPolarHBondContact CD-OE2 3.26Å; K117-E204 WeakPolarHBondContact CE-OE2 3.39Å; K117-E204 HydrophobicContact CG-CG 4.17Å; K117-E204 WeakPolarHBondContact CG-OE2 3.44Å; K117-E204 IonicContact NZ-OE1 3.1Å; K117-E204 PolarHBondContact NZ-OE1 2.79Å; K117-E204 IonicContact NZ-OE2 3.46Å; K117-E204 PolarHBondContact NZ-OE2 2.8Å
118	P	82.9	Confident	73	Confident	65 Å²	65	77.2 Å²	77.2	42%	0.422	36%	0.364	S	S	.	.			trans	-56.3	118.9	166.2	20.4	-29.4	0	0	0	110.1	T130 I220	P118-T130 HydrophobicContact CB-CG2 3.56Å; P118-I220 HydrophobicContact CB-CD1 3.7Å; P118-I220 HydrophobicContact CG-CD1 3.95Å
119	Q	73.7	Confident	70.9	Confident	53 Å²	53	78.4 Å²	78.4	25%	0.248	37%	0.37	C	S	.	.			trans	-87.8	114.1	176.8	-64.7	-178.4	16.7	0	0	109.4	K117 R121 K131 D133	K117-Q119 PolarHBondContact O-N 3.16Å; K117-Q119 VanDerWaalsContact O-N 3.14Å; Q119-R121 HydrophobicContact CB-CG 4.23Å; Q119-R121 PolarHBondContact O-N 2.94Å; Q119-R121 VanDerWaalsContact OE1-CZ 3.26Å; Q119-K131 PolarHBondContact N-O 3.41Å; Q119-D133 PolarHBondContact NE2-OD1 3.28Å
120	E	59.3	Low	69.3	Low	193 Å²	193	81.9 Å²	81.9	90%	0.902	39%	0.391	S	S	*	.			trans	-72.1	64.4	167.7	-70.5	-158.8	168.7	0	0	111.4	K122	E120-K122 PolarHBondContact O-N 2.89Å
121	R	54.9	Low	68.4	Low	139 Å²	139	87 Å²	87	53%	0.525	41%	0.413	S	S	.	.			trans	-74.6	116.5	166.3	-65.4	-165.5	-171.8	-169.2	8.2	108.3	Q119 D123 G151	Q119-R121 HydrophobicContact CB-CG 4.23Å; Q119-R121 PolarHBondContact O-N 2.94Å; Q119-R121 VanDerWaalsContact OE1-CZ 3.26Å; R121-D123 PolarHBondContact O-N 2.69Å; R121-G151 PolarHBondContact NH1-O 3.12Å; R121-G151 PolarHBondContact NH2-O 2.96Å
122	K	42.2	Very low	67.9	Low	204 Å²	204	87.4 Å²	87.4	89%	0.887	42%	0.416	S	S	*	.			trans	-66.9	72.2	163.4	-73.9	-175.9	177.7	177.2	0	109.9	E120 V124	E120-K122 PolarHBondContact O-N 2.89Å; K122-V124 PolarHBondContact O-N 3.01Å; K122-V124 VanDerWaalsContact O-N 3.13Å
123	D	40.8	Very low	67.6	Low	87 Å²	87	87.6 Å²	87.6	47%	0.465	42%	0.417	S	S	.	.			trans	-65.9	108	158.8	-120.7	-35.4	0	0	0	106.3	R121 R125 K131	R121-D123 PolarHBondContact O-N 2.69Å; D123-R125 PolarHBondContact O-N 3Å; D123-K131 IonicContact OD2-NZ 2.71Å
124	V	42	Very low	67.4	Low	137 Å²	137	87.7 Å²	87.7	83%	0.83	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	4.2	-177.5	-176.8	0	0	0	0	111.7	K122	K122-V124 PolarHBondContact O-N 3.01Å; K122-V124 VanDerWaalsContact O-N 3.13Å
125	R	46.7	Very low	67.5	Low	208 Å²	208	87.8 Å²	87.8	79%	0.785	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.2	8.4	-159.6	-61.9	-175.3	177.8	171.7	-1.8	115.3	D123	D123-R125 PolarHBondContact O-N 3Å
126	S	41.3	Very low	67.7	Low	59 Å²	59	86.8 Å²	86.8	41%	0.413	41%	0.413	S	S	.	.	S	Bend	trans	-148.4	151.6	165.7	70.4	0	0	0	0	110.9
127	Q	47.1	Very low	68	Low	79 Å²	79	86.7 Å²	86.7	37%	0.369	41%	0.412	S	S	.	.			trans	-56.3	160.7	178.5	-91.9	161	-93.4	0	0	112.4	N129 D356	Q127-N129 PolarHBondContact O-N 2.75Å; Q127-D356 PolarHBondContact NE2-OD2 2.86Å
128	K	47.6	Very low	68.6	Low	215 Å²	215	81.1 Å²	81.1	94%	0.935	39%	0.388	S	S	*	.			trans	-59.6	68.2	-175.8	-67	179.8	173.2	-178.2	0	114
129	N	53.5	Low	69.3	Low	62 Å²	62	78 Å²	78	33%	0.332	37%	0.368	S	S	.	.			trans	-90	114.3	168.3	-94.8	-45	0	0	0	108.9	Q127 K131 H330	Q127-N129 PolarHBondContact O-N 2.75Å; N129-K131 VanDerWaalsContact C-N 3.27Å; N129-K131 PolarHBondContact O-N 2.85Å; N129-H330 PolarHBondContact ND2-NE2 3.25Å; N129-H330 PolarHBondContact OD1-CD2 2.91Å; N129-H330 VanDerWaalsContact OD1-CD2 3.29Å; N129-H330 PolarHBondContact OD1-NE2 3.1Å
130	T	64.1	Low	70.4	Confident	74 Å²	74	76.1 Å²	76.1	45%	0.454	36%	0.359	S	S	.	.			trans	-67.9	84.3	174.6	28.2	0	0	0	0	110.3	P118	P118-T130 HydrophobicContact CB-CG2 3.56Å
131	K	78.3	Confident	72.1	Confident	110 Å²	110	71.3 Å²	71.3	48%	0.478	34%	0.339	S	S	.	.			trans	-62.3	140	169.9	-71.4	-178.8	179.3	169.9	0	109.5	Q119 D123 N129	Q119-K131 PolarHBondContact N-O 3.41Å; D123-K131 IonicContact OD2-NZ 2.71Å; N129-K131 VanDerWaalsContact C-N 3.27Å; N129-K131 PolarHBondContact O-N 2.85Å
132	V	88.3	Confident	74.1	Confident	9 Å²	9	64.7 Å²	64.7	6%	0.055	32%	0.315	C	S	.	.			trans	-127.1	144	176.1	-70	0	0	0	0	108.2	H115 G116 I220 P222	H115-V132 HydrophobicContact CB-CB 4.25Å; H115-V132 HydrophobicContact CB-CG2 3.94Å; G116-V132 WeakPolarHBondContact O-CG1 3.29Å; V132-I220 HydrophobicContact CG1-CB 4.02Å; V132-I220 HydrophobicContact CG1-CD1 3.67Å; V132-I220 HydrophobicContact CG1-CG1 4.43Å; V132-I220 HydrophobicContact CG1-CG2 3.9Å; V132-I220 HydrophobicContact CG2-CB 4.37Å; V132-I220 HydrophobicContact CG2-CG2 3.9Å; V132-P222 HydrophobicContact CG2-CG 4.33Å
133	D	92.1	Very high	76.8	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.021	28%	0.276	C	S	.	.			trans	-59	142.1	156.9	-77.2	23.4	0	0	0	107.7	H115 G116 Q119 D149 M150 G151 L201 D202	H115-D133 CarbonylContact C-O 3.55Å; H115-D133 WeakPolarHBondContact CA-O 3.43Å; G116-D133 PolarHBondContact N-O 3Å; Q119-D133 PolarHBondContact NE2-OD1 3.28Å; D133-D149 CarbonylContact C-O 3.58Å; D133-D149 WeakPolarHBondContact CA-O 3.49Å; D133-M150 VanDerWaalsContact OD1-C 3.24Å; D133-G151 WeakPolarHBondContact OD1-CA 3.33Å; D133-G151 PolarHBondContact OD1-N 2.96Å; D133-G151 VanDerWaalsContact OD1-N 3.1Å; D133-L201 HydrophobicContact CB-CD1 4.14Å; D133-D202 PolarHBondContact OD2-N 2.9Å
134	F	94.6	Very high	79.5	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.009	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	159.6	175.9	77.9	-87.2	0	0	0	113.4	F113 T114 H115 A136 L147 L148 D149 T154 P222 E224	F113-F134 HydrophobicContact CE2-CB 4.31Å; F113-F134 HydrophobicContact CE2-CD2 4.25Å; T114-F134 WeakPolarHBondContact O-CA 3.41Å; T114-F134 WeakPolarHBondContact O-CB 3.36Å; H115-F134 HydrophobicContact CB-CB 4.06Å; F134-A136 HydrophobicContact CD2-CB 4.42Å; F134-A136 HydrophobicContact CE2-CB 4.49Å; F134-L147 HydrophobicContact CE2-CB 3.76Å; F134-L147 HydrophobicContact CE2-CD2 4.39Å; F134-L147 HydrophobicContact CZ-CB 4.37Å; F134-L148 WeakPolarHBondContact O-CA 3.32Å; F134-D149 HydrophobicContact CD1-CB 3.62Å; F134-D149 HydrophobicContact CE1-CB 3.55Å; F134-D149 PolarHBondContact N-O 2.96Å; F134-D149 PolarHBondContact O-N 2.77Å; F134-T154 HydrophobicContact CE1-CG2 4.17Å; F134-T154 WeakPolarHBondContact CE1-OG1 3.27Å; F134-T154 HydrophobicContact CZ-CG2 3.65Å; F134-P222 HydrophobicContact CB-CG 4.16Å; F134-P222 HydrophobicContact CD1-CB 3.94Å; F134-P222 HydrophobicContact CD1-CG 3.43Å; F134-P222 VanDerWaalsContact CD1-CG 3.43Å; F134-P222 HydrophobicContact CD2-CB 4.5Å; F134-P222 HydrophobicContact CD2-CG 3.82Å; F134-P222 HydrophobicContact CE1-CB 3.52Å; F134-P222 HydrophobicContact CE1-CG 3.57Å; F134-P222 HydrophobicContact CE2-CB 4.13Å; F134-P222 HydrophobicContact CE2-CG 3.95Å; F134-P222 HydrophobicContact CG-CB 4.4Å; F134-P222 HydrophobicContact CG-CG 3.55Å; F134-P222 HydrophobicContact CZ-CB 3.63Å; F134-P222 HydrophobicContact CZ-CG 3.83Å; F134-E224 HydrophobicContact CZ-CB 4.43Å
135	F	96.1	Very high	82.2	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.4	171.8	171.7	-88.7	0	0	0	109.3	W90 I98 L112 T114 V137 L146 L147 L148 I174 L201	W90-F135 HydrophobicContact CH2-CD2 4.43Å; W90-F135 HydrophobicContact CH2-CE2 4.34Å; W90-F135 HydrophobicContact CZ3-CB 4.32Å; W90-F135 HydrophobicContact CZ3-CD1 4.06Å; W90-F135 AromaticContact CZ3-CD2 3.88Å; W90-F135 HydrophobicContact CZ3-CD2 3.88Å; W90-F135 HydrophobicContact CZ3-CE1 4.32Å; W90-F135 HydrophobicContact CZ3-CE2 4.12Å; W90-F135 AromaticContact CZ3-CG 3.83Å; W90-F135 HydrophobicContact CZ3-CG 3.83Å; W90-F135 HydrophobicContact CZ3-CZ 4.34Å; I98-F135 HydrophobicContact CD1-CD1 4.49Å; I98-F135 HydrophobicContact CD1-CE1 3.81Å; I98-F135 HydrophobicContact CD1-CZ 4.06Å; L112-F135 HydrophobicContact CB-CE1 4.49Å; L112-F135 HydrophobicContact CD1-CE1 4.48Å; T114-F135 HydrophobicContact CG2-CB 4.13Å; T114-F135 HydrophobicContact CG2-CD1 4.41Å; T114-F135 PolarHBondContact N-O 2.92Å; T114-F135 PolarHBondContact O-N 2.6Å; F135-V137 HydrophobicContact CE1-CG2 4.01Å; F135-V137 HydrophobicContact CZ-CG2 3.88Å; F135-L146 HydrophobicContact CD2-CD1 3.88Å; F135-L146 HydrophobicContact CE2-CD1 3.34Å; F135-L146 HydrophobicContact CZ-CD1 4Å; F135-L147 WeakPolarHBondContact CA-O 3.41Å; F135-L148 HydrophobicContact CB-CD1 4.5Å; F135-L148 HydrophobicContact CD2-CD1 4.29Å; F135-I174 HydrophobicContact CE2-CD1 4.45Å; F135-I174 HydrophobicContact CE2-CG2 4.23Å; F135-I174 HydrophobicContact CZ-CD1 3.86Å; F135-L201 HydrophobicContact CB-CD2 4.18Å
136	A	97.8	Very high	84.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	153.1	175.3	0	0	0	0	0	112.8	L112 F113 F134 L147 L225	L112-A136 CarbonylContact O-C 3.52Å; L112-A136 WeakPolarHBondContact O-CA 3.41Å; F113-A136 HydrophobicContact CD2-CB 4.03Å; F134-A136 HydrophobicContact CD2-CB 4.42Å; F134-A136 HydrophobicContact CE2-CB 4.49Å; A136-L147 HydrophobicContact CB-CB 4.15Å; A136-L147 HydrophobicContact CB-CD1 4.49Å; A136-L147 PolarHBondContact N-O 2.93Å; A136-L147 PolarHBondContact O-N 2.89Å; A136-L225 HydrophobicContact CB-CD1 3.43Å; A136-L225 VanDerWaalsContact CB-CD1 3.43Å; A136-L225 HydrophobicContact CB-CD2 4.04Å; A136-L225 HydrophobicContact CB-CG 4.36Å
137	V	98.5	Very high	87.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	122.6	165.3	-175.8	0	0	0	0	108.1	F100 I111 L112 F135 L144 Y145 I174	F100-V137 HydrophobicContact CZ-CG1 4.24Å; I111-V137 WeakPolarHBondContact CA-O 3.3Å; I111-V137 HydrophobicContact CB-CB 4.48Å; I111-V137 HydrophobicContact CB-CG1 4.44Å; I111-V137 WeakPolarHBondContact CB-O 3.26Å; I111-V137 PolarHBondContact N-O 2.8Å; L112-V137 HydrophobicContact CB-CB 4.23Å; L112-V137 HydrophobicContact CB-CG2 4.39Å; L112-V137 PolarHBondContact N-O 3.07Å; L112-V137 VanDerWaalsContact N-O 3.09Å; L112-V137 PolarHBondContact O-N 3.47Å; F135-V137 HydrophobicContact CE1-CG2 4.01Å; F135-V137 HydrophobicContact CZ-CG2 3.88Å; V137-L144 HydrophobicContact CG1-CD1 3.67Å; V137-L144 HydrophobicContact CG1-CG 4.1Å; V137-Y145 WeakPolarHBondContact CA-O 3.44Å; V137-I174 HydrophobicContact CG2-CD1 3.73Å
138	E	98.4	Very high	89.6	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	151.7	179.8	72.7	179.8	170.1	0	0	112	L110 L140 Y145 L147 K156 L225 W226 T227	L110-E138 HydrophobicContact CD1-CB 4.32Å; E138-L140 HydrophobicContact CG-CD1 4.12Å; E138-L140 HydrophobicContact CG-CG 4.2Å; E138-L140 WeakPolarHBondContact OE1-CD1 3.19Å; E138-Y145 PolarHBondContact N-O 2.82Å; E138-Y145 PolarHBondContact O-N 3.31Å; E138-L147 HydrophobicContact CG-CD1 3.74Å; E138-K156 WeakPolarHBondContact OE1-CE 3.38Å; E138-K156 IonicContact OE1-NZ 3.45Å; E138-K156 PolarHBondContact OE1-NZ 3.02Å; E138-L225 HydrophobicContact CB-CD1 4.36Å; E138-L225 HydrophobicContact CG-CD1 4.47Å; E138-W226 PolarHBondContact OE2-N 3.13Å; E138-T227 HydrophobicContact CB-CG2 3.88Å; E138-T227 WeakPolarHBondContact CB-OG1 3.33Å; E138-T227 HydrophobicContact CG-CG2 4.38Å; E138-T227 WeakPolarHBondContact OE2-CB 3.32Å; E138-T227 VanDerWaalsContact OE2-CG2 3.31Å; E138-T227 WeakPolarHBondContact OE2-CG2 3.32Å; E138-T227 PolarHBondContact OE2-N 3.05Å; E138-T227 PolarHBondContact OE2-OG1 3.44Å
139	L	98.3	Very high	91.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.4	170	-165.2	73.2	0	0	0	108.4	F102 T104 E106 N108 G109 I111 N143 L144 N165	F102-L139 HydrophobicContact CE2-CD1 4.49Å; T104-L139 HydrophobicContact CG2-CD2 3.74Å; E106-L139 WeakPolarHBondContact O-CD2 3.01Å; N108-L139 CarbonylContact C-O 3.54Å; N108-L139 VanDerWaalsContact CA-O 3.27Å; N108-L139 WeakPolarHBondContact CA-O 3.21Å; G109-L139 PolarHBondContact N-O 2.97Å; G109-L139 PolarHBondContact O-N 2.92Å; I111-L139 HydrophobicContact CD1-CB 4.49Å; L139-N143 WeakPolarHBondContact CA-O 3.25Å; L139-L144 HydrophobicContact CD1-CB 4.47Å; L139-L144 HydrophobicContact CD1-CD1 4.36Å; L139-N165 HydrophobicContact CD2-CB 4.44Å
140	L	96.8	Very high	93.5	Very high	12 Å²	12	18.8 Å²	18.8	6%	0.063	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	123.2	178.6	-75.4	172.7	0	0	0	110.9	P107 E138 G142 N143 Y145 W226 T227	P107-L140 CarbonylContact O-C 3.58Å; E138-L140 HydrophobicContact CG-CD1 4.12Å; E138-L140 HydrophobicContact CG-CG 4.2Å; E138-L140 WeakPolarHBondContact OE1-CD1 3.19Å; L140-G142 PolarHBondContact O-N 2.81Å; L140-N143 PolarHBondContact N-O 2.81Å; L140-N143 PolarHBondContact O-N 3.15Å; L140-N143 PolarHBondContact O-ND2 3.35Å; L140-Y145 HydrophobicContact CB-CD2 4.03Å; L140-Y145 HydrophobicContact CB-CE2 3.87Å; L140-Y145 HydrophobicContact CD1-CD2 4.35Å; L140-W226 HydrophobicContact CD1-CB 4.43Å; L140-W226 HydrophobicContact CD1-CD2 4.4Å; L140-W226 HydrophobicContact CD1-CE3 3.63Å; L140-W226 HydrophobicContact CD1-CZ3 4.28Å; L140-T227 HydrophobicContact CD2-CG2 3.71Å; L140-T227 HydrophobicContact CG-CG2 4.15Å
141	D	95.6	Very high	94.5	Very high	92 Å²	92	15.9 Å²	15.9	49%	0.492	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	40.5	-171.2	-172.1	37.2	0	0	0	113.1	P107 N108 N143 K163	P107-D141 PolarHBondContact O-N 3.1Å; P107-D141 VanDerWaalsContact O-N 3.07Å; N108-D141 PolarHBondContact OD1-N 2.8Å; D141-N143 PolarHBondContact O-N 2.93Å; D141-N143 PolarHBondContact O-ND2 2.67Å; D141-K163 VanDerWaalsContact O-CD 3.22Å; D141-K163 WeakPolarHBondContact O-CD 3.32Å; D141-K163 WeakPolarHBondContact O-CE 3.41Å; D141-K163 PolarHBondContact O-NZ 3.03Å; D141-K163 IonicContact OD1-NZ 3.35Å; D141-K163 PolarHBondContact OD1-NZ 2.93Å; D141-K163 VanDerWaalsContact OD2-CE 3.28Å; D141-K163 WeakPolarHBondContact OD2-CE 3.47Å; D141-K163 IonicContact OD2-NZ 3.96Å; D141-K163 PolarHBondContact OD2-NZ 3.43Å
142	G	96.6	Very high	94.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	0.8	-177.5	0	0	0	0	0	114.9	P107 L140 K163 A164 N165	P107-G142 PolarHBondContact O-N 2.94Å; L140-G142 PolarHBondContact O-N 2.81Å; G142-K163 CarbonylContact O-C 3.57Å; G142-K163 VanDerWaalsContact O-CA 3.26Å; G142-K163 WeakPolarHBondContact O-CA 3.48Å; G142-A164 PolarHBondContact O-N 3.14Å; G142-N165 WeakPolarHBondContact CA-OD1 3.49Å
143	N	97.6	Very high	94.7	Very high	14 Å²	14	13.4 Å²	13.4	8%	0.075	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.5	178.5	-50.9	-93.5	0	0	0	110.6	L139 L140 D141 Y145 K158	L139-N143 WeakPolarHBondContact CA-O 3.25Å; L140-N143 PolarHBondContact N-O 2.81Å; L140-N143 PolarHBondContact O-N 3.15Å; L140-N143 PolarHBondContact O-ND2 3.35Å; D141-N143 PolarHBondContact O-N 2.93Å; D141-N143 PolarHBondContact O-ND2 2.67Å; N143-Y145 HydrophobicContact CB-CD2 4.5Å; N143-Y145 HydrophobicContact CB-CE2 3.72Å; N143-Y145 VanDerWaalsContact O-CD2 3.28Å; N143-Y145 WeakPolarHBondContact O-CD2 3.3Å; N143-Y145 WeakPolarHBondContact O-CE2 3.34Å; N143-K158 HydrophobicContact CB-CG 4.48Å; N143-K158 WeakPolarHBondContact OD1-CE 3.39Å; N143-K158 PolarHBondContact OD1-NZ 3.25Å
144	L	98	Very high	94.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	134.5	179.3	-168	74.4	0	0	0	110.3	F102 I111 V137 L139 A159 T160 V172 I183 V185	F102-L144 HydrophobicContact CE1-CD1 4.21Å; F102-L144 HydrophobicContact CE1-CD2 4.06Å; F102-L144 HydrophobicContact CZ-CD1 4.19Å; I111-L144 HydrophobicContact CD1-CD1 3.66Å; V137-L144 HydrophobicContact CG1-CD1 3.67Å; V137-L144 HydrophobicContact CG1-CG 4.1Å; L139-L144 HydrophobicContact CD1-CB 4.47Å; L139-L144 HydrophobicContact CD1-CD1 4.36Å; L144-A159 HydrophobicContact CB-CB 4.28Å; L144-A159 HydrophobicContact CD2-CB 4.21Å; L144-A159 HydrophobicContact CG-CB 4.41Å; L144-A159 PolarHBondContact O-N 3.08Å; L144-T160 HydrophobicContact CB-CG2 3.81Å; L144-T160 PolarHBondContact N-OG1 2.8Å; L144-V172 HydrophobicContact CD2-CG1 4.21Å; L144-V172 HydrophobicContact CD2-CG2 3.73Å; L144-I183 HydrophobicContact CD2-CD1 4.45Å; L144-V185 HydrophobicContact CD2-CG2 3.87Å
145	Y	98.3	Very high	94.7	Very high	51 Å²	51	16.6 Å²	16.6	20%	0.2	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.2	177.4	-68	-92.7	0	0	0	111.5	V137 E138 L140 N143 K156 V157 K158	V137-Y145 WeakPolarHBondContact CA-O 3.44Å; E138-Y145 PolarHBondContact N-O 2.82Å; E138-Y145 PolarHBondContact O-N 3.31Å; L140-Y145 HydrophobicContact CB-CD2 4.03Å; L140-Y145 HydrophobicContact CB-CE2 3.87Å; L140-Y145 HydrophobicContact CD1-CD2 4.35Å; N143-Y145 HydrophobicContact CB-CD2 4.5Å; N143-Y145 HydrophobicContact CB-CE2 3.72Å; N143-Y145 VanDerWaalsContact O-CD2 3.28Å; N143-Y145 WeakPolarHBondContact O-CD2 3.3Å; N143-Y145 WeakPolarHBondContact O-CE2 3.34Å; Y145-K156 HydrophobicContact CD1-CG 4.12Å; Y145-V157 VanDerWaalsContact CA-O 3.28Å; Y145-V157 WeakPolarHBondContact CA-O 3.42Å; Y145-K158 HydrophobicContact CD1-CB 4.06Å; Y145-K158 HydrophobicContact CD1-CG 4.37Å; Y145-K158 HydrophobicContact CE1-CB 3.62Å; Y145-K158 HydrophobicContact CE1-CD 4.48Å; Y145-K158 HydrophobicContact CE1-CG 3.76Å
146	L	98	Very high	94.6	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	134.8	163.9	165.7	66.1	0	0	0	108.7	F135 K156 V157 I174 I183 F192	F135-L146 HydrophobicContact CD2-CD1 3.88Å; F135-L146 HydrophobicContact CE2-CD1 3.34Å; F135-L146 HydrophobicContact CZ-CD1 4Å; L146-K156 CarbonylContact O-C 3.57Å; L146-K156 WeakPolarHBondContact O-CA 3.4Å; L146-V157 HydrophobicContact CB-CB 4.34Å; L146-V157 PolarHBondContact N-O 2.89Å; L146-V157 PolarHBondContact O-N 2.97Å; L146-I174 HydrophobicContact CD2-CG2 4.4Å; L146-I183 HydrophobicContact CB-CD1 3.87Å; L146-I183 HydrophobicContact CD2-CB 4.16Å; L146-I183 HydrophobicContact CD2-CG2 4.26Å; L146-F192 HydrophobicContact CD2-CD1 3.7Å; L146-F192 HydrophobicContact CD2-CE1 3.44Å; L146-F192 VanDerWaalsContact CD2-CE1 3.44Å; L146-F192 HydrophobicContact CD2-CE2 4.46Å; L146-F192 HydrophobicContact CD2-CG 4.32Å; L146-F192 HydrophobicContact CD2-CZ 3.86Å
147	L	97.4	Very high	94.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.9	170.8	-64	87.9	0	0	0	110.1	F134 F135 A136 E138 I155 K156 E224 L225	F134-L147 HydrophobicContact CE2-CB 3.76Å; F134-L147 HydrophobicContact CE2-CD2 4.39Å; F134-L147 HydrophobicContact CZ-CB 4.37Å; F135-L147 WeakPolarHBondContact CA-O 3.41Å; A136-L147 HydrophobicContact CB-CB 4.15Å; A136-L147 HydrophobicContact CB-CD1 4.49Å; A136-L147 PolarHBondContact N-O 2.93Å; A136-L147 PolarHBondContact O-N 2.89Å; E138-L147 HydrophobicContact CG-CD1 3.74Å; L147-I155 WeakPolarHBondContact CA-O 3.37Å; L147-K156 HydrophobicContact CD1-CG 4.45Å; L147-K156 HydrophobicContact CD2-CD 3.88Å; L147-K156 HydrophobicContact CD2-CG 4.22Å; L147-K156 HydrophobicContact CG-CB 4.37Å; L147-K156 HydrophobicContact CG-CD 4.18Å; L147-K156 HydrophobicContact CG-CG 3.98Å; L147-E224 HydrophobicContact CD2-CB 4.32Å; L147-E224 WeakPolarHBondContact CD2-O 3.36Å; L147-L225 HydrophobicContact CD1-CD1 4.21Å; L147-L225 HydrophobicContact CD2-CB 4.5Å; L147-L225 HydrophobicContact CD2-CD1 4.26Å
148	L	95.3	Very high	94.5	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	130.5	-179	179.5	70.9	0	0	0	110.1	F134 F135 M150 T154 I155 F192 A194 L201	F134-L148 WeakPolarHBondContact O-CA 3.32Å; F135-L148 HydrophobicContact CB-CD1 4.5Å; F135-L148 HydrophobicContact CD2-CD1 4.29Å; L148-M150 HydrophobicContact CD1-CG 4.28Å; L148-M150 HydrophobicContact CD2-CE 3.83Å; L148-M150 HydrophobicContact CD2-SD 4.26Å; L148-M150 HydrophobicContact CG-CE 4.36Å; L148-M150 HydrophobicContact CG-CG 4.36Å; L148-T154 WeakPolarHBondContact O-CA 3.18Å; L148-I155 HydrophobicContact CB-CG2 3.95Å; L148-I155 PolarHBondContact N-O 3.08Å; L148-I155 VanDerWaalsContact N-O 3.11Å; L148-I155 PolarHBondContact O-N 2.73Å; L148-F192 HydrophobicContact CD2-CD2 4.48Å; L148-F192 HydrophobicContact CD2-CE2 3.75Å; L148-A194 HydrophobicContact CD2-CB 4.49Å; L148-L201 HydrophobicContact CD1-CD1 3.68Å; L148-L201 HydrophobicContact CD1-CD2 3.76Å; L148-L201 HydrophobicContact CD1-CG 4.28Å
149	D	92.9	Very high	94.3	Very high	16 Å²	16	25 Å²	25	9%	0.086	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.7	163.8	-158.4	-35.9	0	0	0	109	D133 F134 G151 S152 G153 T154 L201	D133-D149 CarbonylContact C-O 3.58Å; D133-D149 WeakPolarHBondContact CA-O 3.49Å; F134-D149 HydrophobicContact CD1-CB 3.62Å; F134-D149 HydrophobicContact CE1-CB 3.55Å; F134-D149 PolarHBondContact N-O 2.96Å; F134-D149 PolarHBondContact O-N 2.77Å; D149-G151 WeakPolarHBondContact OD1-CA 3.16Å; D149-G151 PolarHBondContact OD1-N 3.23Å; D149-S152 PolarHBondContact OD1-N 3.28Å; D149-S152 VanDerWaalsContact OD1-N 3.08Å; D149-G153 PolarHBondContact OD1-N 3.5Å; D149-G153 VanDerWaalsContact OD2-CA 3.23Å; D149-G153 WeakPolarHBondContact OD2-CA 3.44Å; D149-G153 PolarHBondContact OD2-N 2.91Å; D149-T154 PolarHBondContact OD2-N 2.93Å; D149-T154 PolarHBondContact OD2-OG1 2.86Å; D149-L201 WeakPolarHBondContact O-CD1 3.37Å
150	M	91.1	Very high	94.2	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.015	14%	0.142	C	C	.	.	S	Bend	trans	-117.2	27.2	179.7	-71.1	177.4	-66.2	0	0	110.7	D133 L148 R176 A194 S198 I200 L201	D133-M150 VanDerWaalsContact OD1-C 3.24Å; L148-M150 HydrophobicContact CD1-CG 4.28Å; L148-M150 HydrophobicContact CD2-CE 3.83Å; L148-M150 HydrophobicContact CD2-SD 4.26Å; L148-M150 HydrophobicContact CG-CE 4.36Å; L148-M150 HydrophobicContact CG-CG 4.36Å; M150-R176 PolarHBondContact SD-NH1 2.85Å; M150-A194 HydrophobicContact CE-CB 3.37Å; M150-S198 WeakPolarHBondContact O-CB 3.3Å; M150-S198 PolarHBondContact O-OG 3.5Å; M150-I200 WeakPolarHBondContact CB-O 3.46Å; M150-L201 HydrophobicContact CG-CB 3.89Å; M150-L201 HydrophobicContact CG-CD1 3.71Å; M150-L201 HydrophobicContact CG-CG 4.4Å; M150-L201 HydrophobicContact SD-CB 4.19Å
151	G	85.6	Confident	93.8	Very high	14 Å²	14	33.3 Å²	33.3	14%	0.144	18%	0.177	C	C	.	.	S	Bend	trans	84	18.9	-179	0	0	0	0	0	113.7	R121 D133 D149	R121-G151 PolarHBondContact NH1-O 3.12Å; R121-G151 PolarHBondContact NH2-O 2.96Å; D133-G151 WeakPolarHBondContact OD1-CA 3.33Å; D133-G151 PolarHBondContact OD1-N 2.96Å; D133-G151 VanDerWaalsContact OD1-N 3.1Å; D149-G151 WeakPolarHBondContact OD1-CA 3.16Å; D149-G151 PolarHBondContact OD1-N 3.23Å
152	S	85.3	Confident	93.7	Very high	38 Å²	38	37.2 Å²	37.2	27%	0.266	19%	0.19	S	C	.	.	S	Bend	trans	-142.6	23.8	177.7	56	0	0	0	0	114	D149 S195 S198	D149-S152 PolarHBondContact OD1-N 3.28Å; D149-S152 VanDerWaalsContact OD1-N 3.08Å; S152-S195 WeakPolarHBondContact CB-O 3.42Å; S152-S195 CarbonylContact O-C 3.26Å; S152-S195 PolarHBondContact O-OG 2.72Å; S152-S195 PolarHBondContact OG-O 2.57Å; S152-S198 PolarHBondContact OG-OG 2.78Å
153	G	85.4	Confident	93.7	Very high	28 Å²	28	42 Å²	42	29%	0.289	21%	0.211	S	C	.	.			trans	111.7	145.7	173	0	0	0	0	0	111.8	D149 S195	D149-G153 PolarHBondContact OD1-N 3.5Å; D149-G153 VanDerWaalsContact OD2-CA 3.23Å; D149-G153 WeakPolarHBondContact OD2-CA 3.44Å; D149-G153 PolarHBondContact OD2-N 2.91Å; G153-S195 WeakPolarHBondContact CA-OG 3.47Å; G153-S195 PolarHBondContact O-OG 3.01Å; G153-S195 VanDerWaalsContact O-OG 3.13Å
154	T	91.1	Very high	93.7	Very high	36 Å²	36	41.3 Å²	41.3	22%	0.221	21%	0.207	C	C	.	.			trans	-81.7	133	-174.1	-60.2	0	0	0	0	110.8	F134 L148 D149 E224	F134-T154 HydrophobicContact CE1-CG2 4.17Å; F134-T154 WeakPolarHBondContact CE1-OG1 3.27Å; F134-T154 HydrophobicContact CZ-CG2 3.65Å; L148-T154 WeakPolarHBondContact O-CA 3.18Å; D149-T154 PolarHBondContact OD2-N 2.93Å; D149-T154 PolarHBondContact OD2-OG1 2.86Å; T154-E224 HydrophobicContact CG2-CB 3.93Å; T154-E224 HydrophobicContact CG2-CG 4.05Å
155	I	93.9	Very high	93.6	Very high	37 Å²	37	43 Å²	43	19%	0.19	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.5	162.5	-174.8	164.5	0	0	0	110.2	L147 L148 V157 F192 T193 A194	L147-I155 WeakPolarHBondContact CA-O 3.37Å; L148-I155 HydrophobicContact CB-CG2 3.95Å; L148-I155 PolarHBondContact N-O 3.08Å; L148-I155 VanDerWaalsContact N-O 3.11Å; L148-I155 PolarHBondContact O-N 2.73Å; I155-V157 HydrophobicContact CD1-CG2 3.97Å; I155-V157 HydrophobicContact CG1-CG2 3.73Å; I155-F192 HydrophobicContact CD1-CB 4.14Å; I155-T193 WeakPolarHBondContact CD1-O 3.3Å; I155-A194 HydrophobicContact CG2-CB 3.95Å
156	K	95.1	Very high	93.5	Very high	65 Å²	65	44.4 Å²	44.4	28%	0.283	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	107.7	176.5	-173.5	161.6	-166.2	162.8	0	109.8	E138 Y145 L146 L147 E224	E138-K156 WeakPolarHBondContact OE1-CE 3.38Å; E138-K156 IonicContact OE1-NZ 3.45Å; E138-K156 PolarHBondContact OE1-NZ 3.02Å; Y145-K156 HydrophobicContact CD1-CG 4.12Å; L146-K156 CarbonylContact O-C 3.57Å; L146-K156 WeakPolarHBondContact O-CA 3.4Å; L147-K156 HydrophobicContact CD1-CG 4.45Å; L147-K156 HydrophobicContact CD2-CD 3.88Å; L147-K156 HydrophobicContact CD2-CG 4.22Å; L147-K156 HydrophobicContact CG-CB 4.37Å; L147-K156 HydrophobicContact CG-CD 4.18Å; L147-K156 HydrophobicContact CG-CG 3.98Å; K156-E224 PolarHBondContact NZ-O 2.83Å
157	V	96.4	Very high	93.3	Very high	16 Å²	16	44.4 Å²	44.4	10%	0.097	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.9	-169.8	-171.6	0	0	0	0	110.1	Y145 L146 I155 A159 I183 T190 F192	Y145-V157 VanDerWaalsContact CA-O 3.28Å; Y145-V157 WeakPolarHBondContact CA-O 3.42Å; L146-V157 HydrophobicContact CB-CB 4.34Å; L146-V157 PolarHBondContact N-O 2.89Å; L146-V157 PolarHBondContact O-N 2.97Å; I155-V157 HydrophobicContact CD1-CG2 3.97Å; I155-V157 HydrophobicContact CG1-CG2 3.73Å; V157-A159 PolarHBondContact O-N 2.62Å; V157-I183 HydrophobicContact CG1-CG2 4.29Å; V157-T190 HydrophobicContact CG1-CG2 3.79Å; V157-F192 HydrophobicContact CG1-CB 4.49Å; V157-F192 HydrophobicContact CG2-CB 3.65Å; V157-F192 HydrophobicContact CG2-CG 4.29Å
158	K	97.1	Very high	93.3	Very high	92 Å²	92	48.8 Å²	48.8	40%	0.4	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	109.9	170.1	-165.6	-174.1	-171.5	-171.8	0	109.6	N143 Y145 T160	N143-K158 HydrophobicContact CB-CG 4.48Å; N143-K158 WeakPolarHBondContact OD1-CE 3.39Å; N143-K158 PolarHBondContact OD1-NZ 3.25Å; Y145-K158 HydrophobicContact CD1-CB 4.06Å; Y145-K158 HydrophobicContact CD1-CG 4.37Å; Y145-K158 HydrophobicContact CE1-CB 3.62Å; Y145-K158 HydrophobicContact CE1-CD 4.48Å; Y145-K158 HydrophobicContact CE1-CG 3.76Å; K158-T160 WeakPolarHBondContact CD-O 3.19Å; K158-T160 WeakPolarHBondContact CE-O 3.3Å; K158-T160 WeakPolarHBondContact CG-O 3.49Å
159	A	95.4	Very high	93.3	Very high	8 Å²	8	51.5 Å²	51.5	7%	0.066	26%	0.258	C	S	.	.			trans	-81.3	-27.9	-176	0	0	0	0	0	113.2	L144 V157 I183 V185	L144-A159 HydrophobicContact CB-CB 4.28Å; L144-A159 HydrophobicContact CD2-CB 4.21Å; L144-A159 HydrophobicContact CG-CB 4.41Å; L144-A159 PolarHBondContact O-N 3.08Å; V157-A159 PolarHBondContact O-N 2.62Å; A159-I183 HydrophobicContact CB-CD1 3.62Å; A159-I183 HydrophobicContact CB-CG1 3.9Å; A159-I183 HydrophobicContact CB-CG2 3.99Å; A159-V185 HydrophobicContact CB-CG2 3.94Å
160	T	94.9	Very high	93.5	Very high	13 Å²	13	52.3 Å²	52.3	8%	0.08	26%	0.26	C	S	.	.			trans	-109.4	143	-178	63.1	0	0	0	0	113.4	L144 K158 K162 A164 V185	L144-T160 HydrophobicContact CB-CG2 3.81Å; L144-T160 PolarHBondContact N-OG1 2.8Å; K158-T160 WeakPolarHBondContact CD-O 3.19Å; K158-T160 WeakPolarHBondContact CE-O 3.3Å; K158-T160 WeakPolarHBondContact CG-O 3.49Å; T160-K162 WeakPolarHBondContact CB-O 3.46Å; T160-K162 PolarHBondContact OG1-O 2.85Å; T160-A164 HydrophobicContact CG2-CB 4.13Å; T160-V185 HydrophobicContact CG2-CB 4.29Å; T160-V185 HydrophobicContact CG2-CG1 4.02Å; T160-V185 HydrophobicContact CG2-CG2 4.05Å
161	Q	89.3	Confident	93.7	Very high	173 Å²	173	55.1 Å²	55.1	81%	0.808	27%	0.273	S	S	*	.	S	Bend	trans	-90.1	-25.4	170.6	-70.6	-168.7	-12.8	0	0	113.4
162	K	93.4	Very high	94.3	Very high	175 Å²	175	54.5 Å²	54.5	76%	0.761	27%	0.266	S	S	*	.	S	Bend	trans	-110.9	161.3	171.7	-68.2	-174.9	175.7	-172.7	0	109.2	T160	T160-K162 WeakPolarHBondContact CB-O 3.46Å; T160-K162 PolarHBondContact OG1-O 2.85Å
163	K	96.9	Very high	94.7	Very high	100 Å²	100	53.2 Å²	53.2	44%	0.435	26%	0.256	S	S	.	.			trans	-63.6	140.1	167.7	-61.1	-168.1	177	-165.1	0	109.4	D141 G142 N165	D141-K163 VanDerWaalsContact O-CD 3.22Å; D141-K163 WeakPolarHBondContact O-CD 3.32Å; D141-K163 WeakPolarHBondContact O-CE 3.41Å; D141-K163 PolarHBondContact O-NZ 3.03Å; D141-K163 IonicContact OD1-NZ 3.35Å; D141-K163 PolarHBondContact OD1-NZ 2.93Å; D141-K163 VanDerWaalsContact OD2-CE 3.28Å; D141-K163 WeakPolarHBondContact OD2-CE 3.47Å; D141-K163 IonicContact OD2-NZ 3.96Å; D141-K163 PolarHBondContact OD2-NZ 3.43Å; G142-K163 CarbonylContact O-C 3.57Å; G142-K163 VanDerWaalsContact O-CA 3.26Å; G142-K163 WeakPolarHBondContact O-CA 3.48Å; K163-N165 WeakPolarHBondContact CB-OD1 3.48Å
164	A	96.3	Very high	95.2	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-116.9	29.4	-176.2	0	0	0	0	0	111.6	F102 G142 T160 Y170	F102-A164 HydrophobicContact CE2-CB 4.42Å; F102-A164 HydrophobicContact CZ-CB 3.93Å; G142-A164 PolarHBondContact O-N 3.14Å; T160-A164 HydrophobicContact CG2-CB 4.13Å; A164-Y170 HydrophobicContact CB-CD1 4.23Å; A164-Y170 HydrophobicContact CB-CD2 3.97Å; A164-Y170 HydrophobicContact CB-CE1 3.98Å; A164-Y170 HydrophobicContact CB-CE2 3.7Å; A164-Y170 HydrophobicContact CB-CG 4.21Å
165	N	96.9	Very high	95.2	Very high	34 Å²	34	51.4 Å²	51.4	18%	0.182	24%	0.238	C	C	.	.			trans	-116.5	37.7	174.1	74.3	-53.1	0	0	0	111.5	T104 T105 E106 L139 G142 K163	T104-N165 HydrophobicContact CG2-CB 4.4Å; T104-N165 CarbonylContact O-C 3.58Å; T104-N165 VanDerWaalsContact O-C 3.25Å; T104-N165 WeakPolarHBondContact O-CA 3.15Å; T105-N165 WeakPolarHBondContact CA-O 3.39Å; T105-N165 PolarHBondContact O-ND2 3.06Å; E106-N165 VanDerWaalsContact O-CB 3.23Å; E106-N165 WeakPolarHBondContact O-CB 3.41Å; L139-N165 HydrophobicContact CD2-CB 4.44Å; G142-N165 WeakPolarHBondContact CA-OD1 3.49Å; K163-N165 WeakPolarHBondContact CB-OD1 3.48Å
166	D	95.4	Very high	95.1	Very high	82 Å²	82	50.3 Å²	50.3	44%	0.439	23%	0.232	S	C	.	.	S	Bend	trans	-80.7	-5.9	173.9	59.2	5.5	0	0	0	113	E168 Y170 R268	D166-E168 WeakPolarHBondContact OD1-CB 3.35Å; D166-E168 PolarHBondContact OD1-N 2.9Å; D166-Y170 WeakPolarHBondContact OD1-CE2 3.47Å; D166-Y170 PolarHBondContact OD2-OH 2.8Å; D166-R268 PolarHBondContact O-NH1 3.45Å; D166-R268 PolarHBondContact O-NH2 2.85Å
167	G	94.9	Very high	94.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	79.3	27.5	-175.2	0	0	0	0	0	113.5	R103 T104 R268	R103-G167 VanDerWaalsContact CZ-O 3.22Å; R103-G167 PolarHBondContact NE-O 2.99Å; R103-G167 PolarHBondContact NH2-O 3.03Å; T104-G167 WeakPolarHBondContact O-CA 3.5Å; T104-G167 PolarHBondContact O-N 2.97Å; G167-R268 PolarHBondContact O-NH1 3.17Å; G167-R268 VanDerWaalsContact O-NH1 3.16Å
168	E	95.8	Very high	94.6	Very high	92 Å²	92	49.8 Å²	49.8	43%	0.43	23%	0.231	S	C	.	.	S	Bend	trans	-106.6	167.5	167.1	-65.6	-51.4	116.4	0	0	112.9	R103 D166 Y170 R268	R103-E168 WeakPolarHBondContact CG-O 3.3Å; R103-E168 IonicContact NH2-OE1 2.73Å; R103-E168 PolarHBondContact NH2-OE1 3.19Å; R103-E168 IonicContact NH2-OE2 3.85Å; R103-E168 PolarHBondContact NH2-OE2 3.16Å; D166-E168 WeakPolarHBondContact OD1-CB 3.35Å; D166-E168 PolarHBondContact OD1-N 2.9Å; E168-Y170 WeakPolarHBondContact O-CD2 3.01Å; E168-R268 IonicContact OE1-NH1 3.08Å
169	W	95.6	Very high	94.3	Very high	59 Å²	59	48.7 Å²	48.7	22%	0.223	23%	0.225	C	C	.	.			trans	-79.3	130.2	179.5	-77.3	112.3	0	0	0	111.6	P75 D101 R103 C237 R239 C266	P75-W169 HydrophobicContact CB-CH2 4.08Å; P75-W169 HydrophobicContact CB-CZ2 4.26Å; D101-W169 HydrophobicContact CB-CE3 3.82Å; D101-W169 HydrophobicContact CB-CZ3 4.02Å; R103-W169 HydrophobicContact CB-CD2 3.72Å; R103-W169 HydrophobicContact CB-CE3 3.55Å; R103-W169 HydrophobicContact CB-CG 4.28Å; R103-W169 HydrophobicContact CB-CH2 4.33Å; R103-W169 HydrophobicContact CB-CZ2 4.47Å; R103-W169 HydrophobicContact CB-CZ3 3.87Å; R103-W169 HydrophobicContact CG-CD2 4.42Å; W169-C237 HydrophobicContact CH2-CB 3.55Å; W169-C237 HydrophobicContact CZ2-CB 4.16Å; W169-C237 HydrophobicContact CZ3-CB 4.13Å; W169-R239 HydrophobicContact CE3-CG 4.41Å; W169-R239 HydrophobicContact CH2-CB 4.2Å; W169-R239 HydrophobicContact CH2-CG 3.75Å; W169-R239 HydrophobicContact CZ2-CG 4.42Å; W169-R239 HydrophobicContact CZ3-CB 4.49Å; W169-R239 HydrophobicContact CZ3-CG 3.76Å; W169-C266 HydrophobicContact CZ2-CB 4.28Å
170	Y	96.9	Very high	94.2	Very high	34 Å²	34	50.7 Å²	50.7	13%	0.133	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.8	173	-73	-88.9	0	0	0	110.4	D101 F102 A164 D166 E168 V185 N186	D101-Y170 WeakPolarHBondContact CA-O 3.36Å; F102-Y170 VanDerWaalsContact CE1-CB 3.5Å; F102-Y170 HydrophobicContact CE1-CG 4.3Å; F102-Y170 HydrophobicContact CE2-CD2 4.48Å; F102-Y170 HydrophobicContact CZ-CD2 4.26Å; F102-Y170 HydrophobicContact CZ-CG 4.19Å; F102-Y170 PolarHBondContact N-O 3.48Å; F102-Y170 PolarHBondContact O-N 3.41Å; A164-Y170 HydrophobicContact CB-CD1 4.23Å; A164-Y170 HydrophobicContact CB-CD2 3.97Å; A164-Y170 HydrophobicContact CB-CE1 3.98Å; A164-Y170 HydrophobicContact CB-CE2 3.7Å; A164-Y170 HydrophobicContact CB-CG 4.21Å; D166-Y170 WeakPolarHBondContact OD1-CE2 3.47Å; D166-Y170 PolarHBondContact OD2-OH 2.8Å; E168-Y170 WeakPolarHBondContact O-CD2 3.01Å; Y170-V185 HydrophobicContact CD1-CG1 3.79Å; Y170-V185 HydrophobicContact CG-CG1 4.47Å; Y170-N186 WeakPolarHBondContact CA-OD1 3.38Å; Y170-N186 VanDerWaalsContact CD1-ND2 3.31Å; Y170-N186 WeakPolarHBondContact CD1-ND2 3.45Å
171	H	96	Very high	94.1	Very high	62 Å²	62	50.7 Å²	50.7	29%	0.287	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	126.2	169.7	-175.6	64.9	0	0	0	109.9	D101 V185 N186	D101-H171 WeakPolarHBondContact OD1-CA 3.44Å; D101-H171 WeakPolarHBondContact OD1-CB 3.03Å; D101-H171 IonicContact OD1-CE1 2.84Å; D101-H171 IonicContact OD1-CG 3.26Å; D101-H171 IonicContact OD1-ND1 2.68Å; D101-H171 PolarHBondContact OD1-ND1 3.22Å; H171-V185 CarbonylContact O-C 3.6Å; H171-V185 WeakPolarHBondContact O-CA 3.06Å; H171-N186 PolarHBondContact N-OD1 3.18Å; H171-N186 PolarHBondContact O-N 3.31Å
172	V	97.3	Very high	94.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.2	176.5	-177	0	0	0	0	108.6	S99 F100 F102 L144 I174 I183 S184 V185	S99-V172 CarbonylContact C-O 3.54Å; S99-V172 WeakPolarHBondContact CA-O 3.37Å; S99-V172 VanDerWaalsContact CB-O 3.3Å; S99-V172 WeakPolarHBondContact CB-O 3.22Å; F100-V172 HydrophobicContact CD1-CB 4.45Å; F100-V172 HydrophobicContact CE1-CB 4.12Å; F100-V172 HydrophobicContact CE1-CG1 4.02Å; F100-V172 HydrophobicContact CE2-CB 4.2Å; F100-V172 HydrophobicContact CE2-CG2 4.11Å; F100-V172 HydrophobicContact CZ-CB 3.99Å; F100-V172 HydrophobicContact CZ-CG1 4.04Å; F100-V172 HydrophobicContact CZ-CG2 4.17Å; F100-V172 PolarHBondContact N-O 3.32Å; F100-V172 PolarHBondContact O-N 3.49Å; F102-V172 HydrophobicContact CD1-CG2 3.61Å; F102-V172 HydrophobicContact CE1-CG2 3.52Å; L144-V172 HydrophobicContact CD2-CG1 4.21Å; L144-V172 HydrophobicContact CD2-CG2 3.73Å; V172-I174 HydrophobicContact CG1-CD1 4.16Å; V172-I174 HydrophobicContact CG1-CG1 4.03Å; V172-I183 HydrophobicContact CG1-CD1 4.2Å; V172-I183 HydrophobicContact CG1-CG1 4.35Å; V172-S184 WeakPolarHBondContact CA-O 3.41Å; V172-V185 HydrophobicContact CG2-CG2 4.47Å
173	D	95.2	Very high	94.5	Very high	11 Å²	11	35 Å²	35	6%	0.059	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	124.6	172	170.4	55	0	0	0	110.1	S25 Q175 I183 S184	S25-D173 WeakPolarHBondContact CB-OD1 3.43Å; S25-D173 PolarHBondContact OG-OD1 3.48Å; D173-Q175 PolarHBondContact OD2-NE2 2.91Å; D173-I183 CarbonylContact O-C 3.47Å; D173-S184 PolarHBondContact N-O 3.04Å; D173-S184 PolarHBondContact O-N 3Å; D173-S184 PolarHBondContact O-OG 3.39Å
174	I	95.6	Very high	94.3	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.015	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.8	-175	-57.1	169.1	0	0	0	107.7	S97 I98 F135 V137 L146 V172 I183	S97-I174 CarbonylContact C-O 3.59Å; S97-I174 WeakPolarHBondContact CA-O 3.31Å; S97-I174 WeakPolarHBondContact CB-O 3.27Å; I98-I174 PolarHBondContact N-O 3.07Å; I98-I174 PolarHBondContact O-N 3Å; F135-I174 HydrophobicContact CE2-CD1 4.45Å; F135-I174 HydrophobicContact CE2-CG2 4.23Å; F135-I174 HydrophobicContact CZ-CD1 3.86Å; V137-I174 HydrophobicContact CG2-CD1 3.73Å; L146-I174 HydrophobicContact CD2-CG2 4.4Å; V172-I174 HydrophobicContact CG1-CD1 4.16Å; V172-I174 HydrophobicContact CG1-CG1 4.03Å; I174-I183 HydrophobicContact CD1-CD1 3.9Å; I174-I183 HydrophobicContact CD1-CG1 4.46Å; I174-I183 HydrophobicContact CG1-CB 4.2Å; I174-I183 HydrophobicContact CG1-CD1 3.8Å; I174-I183 HydrophobicContact CG1-CG1 3.8Å
175	Q	91.9	Very high	94.3	Very high	24 Å²	24	31.1 Å²	31.1	11%	0.112	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	134.2	179.7	-57.4	177	6.6	0	0	109.2	A17 D173 G181 T182	A17-Q175 HydrophobicContact CB-CB 4.49Å; A17-Q175 HydrophobicContact CB-CG 4.17Å; D173-Q175 PolarHBondContact OD2-NE2 2.91Å; Q175-G181 CarbonylContact O-C 3.58Å; Q175-G181 WeakPolarHBondContact O-CA 3.4Å; Q175-T182 PolarHBondContact N-O 2.64Å; Q175-T182 PolarHBondContact O-N 2.75Å
176	R	91.6	Very high	94.1	Very high	14 Å²	14	33.1 Å²	33.1	5%	0.053	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137	178	-172.5	-175.9	67.7	93.2	-1.7	111	T92 K93 R94 M95 G96 M150 G178 S180 F192 E199	T92-R176 PolarHBondContact OG1-NH2 2.82Å; T92-R176 VanDerWaalsContact OG1-NH2 3.07Å; K93-R176 PolarHBondContact O-NH2 3.37Å; R94-R176 VanDerWaalsContact O-CZ 3.26Å; R94-R176 PolarHBondContact O-NH1 3.37Å; R94-R176 VanDerWaalsContact O-NH1 3.12Å; R94-R176 PolarHBondContact O-NH2 2.86Å; M95-R176 VanDerWaalsContact CA-O 3.29Å; M95-R176 WeakPolarHBondContact CA-O 3.23Å; G96-R176 PolarHBondContact N-O 2.03Å; G96-R176 VanDerWaalsContact N-O 3.15Å; G96-R176 PolarHBondContact O-N 3.14Å; M150-R176 PolarHBondContact SD-NH1 2.85Å; R176-G178 WeakPolarHBondContact CD-O 3.25Å; R176-G178 WeakPolarHBondContact CG-O 3.2Å; R176-G178 PolarHBondContact NH1-O 2.04Å; R176-S180 WeakPolarHBondContact CA-O 3.45Å; R176-S180 WeakPolarHBondContact CG-O 3.46Å; R176-F192 HydrophobicContact CB-CZ 4.43Å; R176-F192 HydrophobicContact CG-CZ 4.45Å; R176-E199 PolarHBondContact NH1-O 3.35Å
177	D	89.6	Confident	93.7	Very high	69 Å²	69	34.4 Å²	34.4	37%	0.369	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	112	162.1	179.2	21.9	0	0	0	109.7	R94 M95 R179 S180	R94-D177 IonicContact CZ-OD1 3.55Å; R94-D177 IonicContact NH1-OD1 3.7Å; R94-D177 PolarHBondContact NH1-OD1 2.84Å; R94-D177 IonicContact NH1-OD2 2.86Å; R94-D177 PolarHBondContact NH1-OD2 3.37Å; M95-D177 HydrophobicContact CE-CB 3.89Å; M95-D177 HydrophobicContact CG-CB 4.05Å; M95-D177 WeakPolarHBondContact CG-OD1 3.39Å; D177-R179 PolarHBondContact O-N 2.93Å; D177-S180 CarbonylContact C-O 3.25Å; D177-S180 PolarHBondContact N-O 3.4Å; D177-S180 PolarHBondContact O-N 2.86Å; D177-S180 VanDerWaalsContact O-N 3.14Å
178	G	90.3	Very high	93.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	-125.4	-176.6	0	0	0	0	0	111.4	R94 R176 S180 E199	R94-G178 PolarHBondContact O-N 2.95Å; R176-G178 WeakPolarHBondContact CD-O 3.25Å; R176-G178 WeakPolarHBondContact CG-O 3.2Å; R176-G178 PolarHBondContact NH1-O 2.04Å; G178-S180 VanDerWaalsContact C-N 3.3Å; G178-S180 PolarHBondContact O-N 3.36Å; G178-E199 WeakPolarHBondContact CA-O 3.11Å
179	R	91.9	Very high	93.3	Very high	70 Å²	70	46.3 Å²	46.3	26%	0.264	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-17.2	-179	-173.6	166.5	56.3	-178.2	-16.6	114.2	D177 T193 A194 G196 E197	D177-R179 PolarHBondContact O-N 2.93Å; R179-T193 HydrophobicContact CG-CG2 3.9Å; R179-T193 CarbonylContact O-C 3.58Å; R179-T193 WeakPolarHBondContact O-CA 3.45Å; R179-A194 VanDerWaalsContact CD-O 3.29Å; R179-A194 WeakPolarHBondContact CD-O 3.23Å; R179-A194 HydrophobicContact CG-CB 4.22Å; R179-A194 VanDerWaalsContact CG-O 3.3Å; R179-A194 WeakPolarHBondContact CG-O 3.31Å; R179-A194 PolarHBondContact O-N 2.83Å; R179-G196 WeakPolarHBondContact CD-O 3.21Å; R179-G196 PolarHBondContact NH1-O 3.06Å; R179-E197 IonicContact CZ-OE1 3.66Å; R179-E197 IonicContact CZ-OE2 2.68Å; R179-E197 IonicContact NH1-OE1 2.73Å; R179-E197 PolarHBondContact NH1-OE1 2.89Å; R179-E197 IonicContact NH1-OE2 3.62Å; R179-E197 PolarHBondContact NH1-OE2 3.32Å; R179-E197 VanDerWaalsContact NH1-OE2 3.08Å; R179-E197 IonicContact NH2-OE1 2.63Å; R179-E197 IonicContact NH2-OE2 2.69Å; R179-E197 PolarHBondContact NH2-OE2 2.8Å; R179-E197 VanDerWaalsContact NH2-OE2 3.16Å
180	S	93.1	Very high	93.3	Very high	49 Å²	49	45.5 Å²	45.5	34%	0.343	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	160.2	-170.2	-68.1	0	0	0	0	112.6	R176 D177 G178 F192 T193	R176-S180 WeakPolarHBondContact CA-O 3.45Å; R176-S180 WeakPolarHBondContact CG-O 3.46Å; D177-S180 CarbonylContact C-O 3.25Å; D177-S180 PolarHBondContact N-O 3.4Å; D177-S180 PolarHBondContact O-N 2.86Å; D177-S180 VanDerWaalsContact O-N 3.14Å; G178-S180 VanDerWaalsContact C-N 3.3Å; G178-S180 PolarHBondContact O-N 3.36Å; S180-F192 CarbonylContact C-O 3.53Å; S180-F192 VanDerWaalsContact CA-O 3.32Å; S180-F192 WeakPolarHBondContact CA-O 3.35Å; S180-T193 PolarHBondContact OG-OG1 2.74Å
181	G	92.7	Very high	93.2	Very high	14 Å²	14	48.5 Å²	48.5	14%	0.144	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.1	-173.8	177	0	0	0	0	0	113.6	Q175 P191 F192	Q175-G181 CarbonylContact O-C 3.58Å; Q175-G181 WeakPolarHBondContact O-CA 3.4Å; G181-P191 WeakPolarHBondContact O-CA 3.34Å; G181-F192 VanDerWaalsContact C-CE1 3.45Å; G181-F192 PolarHBondContact N-O 2.81Å; G181-F192 PolarHBondContact O-N 3.1Å
182	T	93.8	Very high	93.2	Very high	19 Å²	19	46.1 Å²	46.1	12%	0.117	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	129.7	169.4	63.2	0	0	0	0	110.1	Q175 R189 T190 P191	Q175-T182 PolarHBondContact N-O 2.64Å; Q175-T182 PolarHBondContact O-N 2.75Å; T182-R189 PolarHBondContact OG1-NE 3.21Å; T182-R189 PolarHBondContact OG1-NH2 2.74Å; T182-T190 WeakPolarHBondContact CA-O 3.37Å; T182-P191 HydrophobicContact CG2-CB 4.24Å
183	I	96	Very high	93	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	138	158	178.3	157.9	0	0	0	107.9	L144 L146 V157 A159 V172 D173 I174 T190	L144-I183 HydrophobicContact CD2-CD1 4.45Å; L146-I183 HydrophobicContact CB-CD1 3.87Å; L146-I183 HydrophobicContact CD2-CB 4.16Å; L146-I183 HydrophobicContact CD2-CG2 4.26Å; V157-I183 HydrophobicContact CG1-CG2 4.29Å; A159-I183 HydrophobicContact CB-CD1 3.62Å; A159-I183 HydrophobicContact CB-CG1 3.9Å; A159-I183 HydrophobicContact CB-CG2 3.99Å; V172-I183 HydrophobicContact CG1-CD1 4.2Å; V172-I183 HydrophobicContact CG1-CG1 4.35Å; D173-I183 CarbonylContact O-C 3.47Å; I174-I183 HydrophobicContact CD1-CD1 3.9Å; I174-I183 HydrophobicContact CD1-CG1 4.46Å; I174-I183 HydrophobicContact CG1-CB 4.2Å; I174-I183 HydrophobicContact CG1-CD1 3.8Å; I174-I183 HydrophobicContact CG1-CG1 3.8Å; I183-T190 PolarHBondContact N-O 2.82Å; I183-T190 VanDerWaalsContact N-O 3.08Å; I183-T190 PolarHBondContact O-N 2.92Å
184	S	93.8	Very high	92.8	Very high	9 Å²	9	49.6 Å²	49.6	6%	0.063	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.8	175.4	78.9	0	0	0	0	111.4	V172 D173 R188	V172-S184 WeakPolarHBondContact CA-O 3.41Å; D173-S184 PolarHBondContact N-O 3.04Å; D173-S184 PolarHBondContact O-N 3Å; D173-S184 PolarHBondContact O-OG 3.39Å; S184-R188 WeakPolarHBondContact CA-O 3.47Å
185	V	96	Very high	92.3	Very high	9 Å²	9	52 Å²	52	6%	0.055	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	119.6	176.8	-174.6	0	0	0	0	108.5	L144 A159 T160 Y170 H171 V172 S187 R188	L144-V185 HydrophobicContact CD2-CG2 3.87Å; A159-V185 HydrophobicContact CB-CG2 3.94Å; T160-V185 HydrophobicContact CG2-CB 4.29Å; T160-V185 HydrophobicContact CG2-CG1 4.02Å; T160-V185 HydrophobicContact CG2-CG2 4.05Å; Y170-V185 HydrophobicContact CD1-CG1 3.79Å; Y170-V185 HydrophobicContact CG-CG1 4.47Å; H171-V185 CarbonylContact O-C 3.6Å; H171-V185 WeakPolarHBondContact O-CA 3.06Å; V172-V185 HydrophobicContact CG2-CG2 4.47Å; V185-S187 VanDerWaalsContact C-N 3.28Å; V185-S187 PolarHBondContact O-N 2.76Å; V185-R188 PolarHBondContact N-O 3.46Å; V185-R188 WeakPolarHBondContact O-CB 3.27Å; V185-R188 PolarHBondContact O-N 2.83Å
186	N	92.4	Very high	92	Very high	76 Å²	76	52.6 Å²	52.6	41%	0.406	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.1	53.9	-171.6	-67.1	-7.1	0	0	0	111.6	Y170 H171 R188	Y170-N186 WeakPolarHBondContact CA-OD1 3.38Å; Y170-N186 VanDerWaalsContact CD1-ND2 3.31Å; Y170-N186 WeakPolarHBondContact CD1-ND2 3.45Å; H171-N186 PolarHBondContact N-OD1 3.18Å; H171-N186 PolarHBondContact O-N 3.31Å; N186-R188 PolarHBondContact O-N 2.95Å
187	S	86.7	Confident	91.8	Very high	109 Å²	109	59 Å²	59	76%	0.762	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	-0.6	-177.7	-46.9	0	0	0	0	116.8	V185 R189	V185-S187 VanDerWaalsContact C-N 3.28Å; V185-S187 PolarHBondContact O-N 2.76Å; S187-R189 PolarHBondContact O-N 3.17Å
188	R	91.6	Very high	91.7	Very high	186 Å²	186	57.2 Å²	57.2	70%	0.702	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	108.7	172.6	-64	-175.3	174.9	-135.3	-3.9	109.7	S184 V185 N186	S184-R188 WeakPolarHBondContact CA-O 3.47Å; V185-R188 PolarHBondContact N-O 3.46Å; V185-R188 WeakPolarHBondContact O-CB 3.27Å; V185-R188 PolarHBondContact O-N 2.83Å; N186-R188 PolarHBondContact O-N 2.95Å
189	R	91.8	Very high	91.7	Very high	155 Å²	155	61 Å²	61	59%	0.585	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	132	-178.5	-56.5	-177.9	72.9	-173.7	7.3	111.7	T182 S187	T182-R189 PolarHBondContact OG1-NE 3.21Å; T182-R189 PolarHBondContact OG1-NH2 2.74Å; S187-R189 PolarHBondContact O-N 3.17Å
190	T	95.3	Very high	91.6	Very high	42 Å²	42	62.2 Å²	62.2	26%	0.258	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	110	170.4	-59.1	0	0	0	0	107.7	V157 T182 I183	V157-T190 HydrophobicContact CG1-CG2 3.79Å; T182-T190 WeakPolarHBondContact CA-O 3.37Å; I183-T190 PolarHBondContact N-O 2.82Å; I183-T190 VanDerWaalsContact N-O 3.08Å; I183-T190 PolarHBondContact O-N 2.92Å
191	P	95.1	Very high	91.5	Very high	97 Å²	97	59.9 Å²	59.9	63%	0.63	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	153	178	31.3	-34.6	0	0	0	111.6	G181 T182	G181-P191 WeakPolarHBondContact O-CA 3.34Å; T182-P191 HydrophobicContact CG2-CB 4.24Å
192	F	95.1	Very high	91.3	Very high	12 Å²	12	62.8 Å²	62.8	5%	0.053	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155.5	174.2	68.9	-95.8	0	0	0	111.5	L146 L148 I155 V157 R176 S180 G181	L146-F192 HydrophobicContact CD2-CD1 3.7Å; L146-F192 HydrophobicContact CD2-CE1 3.44Å; L146-F192 VanDerWaalsContact CD2-CE1 3.44Å; L146-F192 HydrophobicContact CD2-CE2 4.46Å; L146-F192 HydrophobicContact CD2-CG 4.32Å; L146-F192 HydrophobicContact CD2-CZ 3.86Å; L148-F192 HydrophobicContact CD2-CD2 4.48Å; L148-F192 HydrophobicContact CD2-CE2 3.75Å; I155-F192 HydrophobicContact CD1-CB 4.14Å; V157-F192 HydrophobicContact CG1-CB 4.49Å; V157-F192 HydrophobicContact CG2-CB 3.65Å; V157-F192 HydrophobicContact CG2-CG 4.29Å; R176-F192 HydrophobicContact CB-CZ 4.43Å; R176-F192 HydrophobicContact CG-CZ 4.45Å; S180-F192 CarbonylContact C-O 3.53Å; S180-F192 VanDerWaalsContact CA-O 3.32Å; S180-F192 WeakPolarHBondContact CA-O 3.35Å; G181-F192 VanDerWaalsContact C-CE1 3.45Å; G181-F192 PolarHBondContact N-O 2.81Å; G181-F192 PolarHBondContact O-N 3.1Å
193	T	94.6	Very high	91.2	Very high	79 Å²	79	62 Å²	62	49%	0.485	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	117.5	174.1	-60.6	0	0	0	0	107.3	I155 R179 S180	I155-T193 WeakPolarHBondContact CD1-O 3.3Å; R179-T193 HydrophobicContact CG-CG2 3.9Å; R179-T193 CarbonylContact O-C 3.58Å; R179-T193 WeakPolarHBondContact O-CA 3.45Å; S180-T193 PolarHBondContact OG-OG1 2.74Å
194	A	91	Very high	90.8	Very high	6 Å²	6	65 Å²	65	5%	0.05	35%	0.346	C	S	.	.			trans	-68.2	163.2	-179.9	0	0	0	0	0	112.1	L148 M150 I155 R179	L148-A194 HydrophobicContact CD2-CB 4.49Å; M150-A194 HydrophobicContact CE-CB 3.37Å; I155-A194 HydrophobicContact CG2-CB 3.95Å; R179-A194 VanDerWaalsContact CD-O 3.29Å; R179-A194 WeakPolarHBondContact CD-O 3.23Å; R179-A194 HydrophobicContact CG-CB 4.22Å; R179-A194 VanDerWaalsContact CG-O 3.3Å; R179-A194 WeakPolarHBondContact CG-O 3.31Å; R179-A194 PolarHBondContact O-N 2.83Å
195	S	84.9	Confident	90.5	Very high	54 Å²	54	67 Å²	67	38%	0.378	37%	0.368	S	S	.	.	S	Bend	trans	-81.8	153	-179.3	53.6	0	0	0	0	113.2	S152 G153	S152-S195 WeakPolarHBondContact CB-O 3.42Å; S152-S195 CarbonylContact O-C 3.26Å; S152-S195 PolarHBondContact O-OG 2.72Å; S152-S195 PolarHBondContact OG-O 2.57Å; G153-S195 WeakPolarHBondContact CA-OG 3.47Å; G153-S195 PolarHBondContact O-OG 3.01Å; G153-S195 VanDerWaalsContact O-OG 3.13Å
196	G	85.7	Confident	90.2	Very high	36 Å²	36	70.1 Å²	70.1	37%	0.371	38%	0.384	S	S	.	.	S	Bend	trans	68.3	-172.6	-179	0	0	0	0	0	113.4	R179	R179-G196 WeakPolarHBondContact CD-O 3.21Å; R179-G196 PolarHBondContact NH1-O 3.06Å
197	E	86.3	Confident	90.4	Very high	149 Å²	149	66.5 Å²	66.5	70%	0.696	37%	0.365	S	S	*	.	S	Bend	trans	-96.7	7.5	-167.6	-60	-51.8	124.7	0	0	115.6	R179 E199	R179-E197 IonicContact CZ-OE1 3.66Å; R179-E197 IonicContact CZ-OE2 2.68Å; R179-E197 IonicContact NH1-OE1 2.73Å; R179-E197 PolarHBondContact NH1-OE1 2.89Å; R179-E197 IonicContact NH1-OE2 3.62Å; R179-E197 PolarHBondContact NH1-OE2 3.32Å; R179-E197 VanDerWaalsContact NH1-OE2 3.08Å; R179-E197 IonicContact NH2-OE1 2.63Å; R179-E197 IonicContact NH2-OE2 2.69Å; R179-E197 PolarHBondContact NH2-OE2 2.8Å; R179-E197 VanDerWaalsContact NH2-OE2 3.16Å; E197-E199 PolarHBondContact O-N 3.17Å
198	S	88.3	Confident	90.9	Very high	30 Å²	30	63.3 Å²	63.3	21%	0.21	34%	0.337	C	S	.	.			trans	-71.5	125.8	178.8	-69.6	0	0	0	0	112.8	M150 S152	M150-S198 WeakPolarHBondContact O-CB 3.3Å; M150-S198 PolarHBondContact O-OG 3.5Å; S152-S198 PolarHBondContact OG-OG 2.78Å
199	E	89.3	Confident	91.2	Very high	79 Å²	79	54.4 Å²	54.4	37%	0.369	30%	0.303	S	S	.	.			trans	-103.5	-13.1	170.3	-66.5	-165.8	165.8	0	0	113.7	R94 R176 G178 E197	R94-E199 IonicContact CZ-OE2 2.76Å; R94-E199 VanDerWaalsContact CZ-OE2 3.22Å; R94-E199 IonicContact NE-OE2 2.68Å; R94-E199 PolarHBondContact NE-OE2 3.18Å; R94-E199 IonicContact NH2-OE1 2.71Å; R94-E199 PolarHBondContact NH2-OE1 3.14Å; R94-E199 IonicContact NH2-OE2 4Å; R94-E199 PolarHBondContact NH2-OE2 3.47Å; R176-E199 PolarHBondContact NH1-O 3.35Å; G178-E199 WeakPolarHBondContact CA-O 3.11Å; E197-E199 PolarHBondContact O-N 3.17Å
200	I	90.4	Very high	91.4	Very high	96 Å²	96	47 Å²	47	49%	0.492	28%	0.275	S	S	.	.			trans	-101.4	134	-175.8	-59	176.8	0	0	0	109.2	K93 M150	K93-I200 HydrophobicContact CB-CG2 4.44Å; K93-I200 WeakPolarHBondContact O-CA 3.37Å; M150-I200 WeakPolarHBondContact CB-O 3.46Å
201	L	90.9	Very high	91.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.264	C	S	.	.			trans	-108.1	103.5	169.6	-179	69.7	0	0	0	108.1	W90 T92 K93 D133 F135 L148 D149 M150 L203	W90-L201 HydrophobicContact CZ3-CD2 4.2Å; T92-L201 HydrophobicContact CG2-CD2 4.1Å; K93-L201 PolarHBondContact O-N 3.3Å; D133-L201 HydrophobicContact CB-CD1 4.14Å; F135-L201 HydrophobicContact CB-CD2 4.18Å; L148-L201 HydrophobicContact CD1-CD1 3.68Å; L148-L201 HydrophobicContact CD1-CD2 3.76Å; L148-L201 HydrophobicContact CD1-CG 4.28Å; D149-L201 WeakPolarHBondContact O-CD1 3.37Å; M150-L201 HydrophobicContact CG-CB 3.89Å; M150-L201 HydrophobicContact CG-CD1 3.71Å; M150-L201 HydrophobicContact CG-CG 4.4Å; M150-L201 HydrophobicContact SD-CB 4.19Å; L201-L203 HydrophobicContact CD1-CD2 4.06Å; L201-L203 HydrophobicContact CD2-CD1 3.89Å; L201-L203 HydrophobicContact CD2-CD2 4.17Å; L201-L203 HydrophobicContact CD2-CG 4.07Å; L201-L203 HydrophobicContact CG-CD1 4.27Å; L201-L203 HydrophobicContact CG-CD2 3.9Å; L201-L203 HydrophobicContact CG-CG 3.88Å; L201-L203 PolarHBondContact O-N 3.06Å
202	D	89.5	Confident	91.5	Very high	75 Å²	75	41.3 Å²	41.3	40%	0.401	24%	0.238	S	C	.	.			trans	-98.1	85.2	-174.9	-164.8	27.1	0	0	0	112.1	G116 D133	G116-D202 WeakPolarHBondContact CA-O 3.45Å; D133-D202 PolarHBondContact OD2-N 2.9Å
203	L	91.6	Very high	91.3	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	148.9	-178.5	-57.7	173.6	0	0	0	112.1	K89 W90 T92 T114 L201	K89-L203 WeakPolarHBondContact CE-O 3.39Å; K89-L203 PolarHBondContact NZ-O 2.96Å; W90-L203 HydrophobicContact CB-CD1 4.13Å; W90-L203 HydrophobicContact CD2-CD1 4.26Å; W90-L203 HydrophobicContact CE3-CD1 3.58Å; W90-L203 HydrophobicContact CZ3-CD1 4.38Å; T92-L203 HydrophobicContact CG2-CD1 4.12Å; T114-L203 HydrophobicContact CG2-CD1 3.64Å; T114-L203 HydrophobicContact CG2-CD2 4.04Å; T114-L203 HydrophobicContact CG2-CG 4.36Å; L201-L203 HydrophobicContact CD1-CD2 4.06Å; L201-L203 HydrophobicContact CD2-CD1 3.89Å; L201-L203 HydrophobicContact CD2-CD2 4.17Å; L201-L203 HydrophobicContact CD2-CG 4.07Å; L201-L203 HydrophobicContact CG-CD1 4.27Å; L201-L203 HydrophobicContact CG-CD2 3.9Å; L201-L203 HydrophobicContact CG-CG 3.88Å; L201-L203 PolarHBondContact O-N 3.06Å
204	E	87	Confident	90.8	Very high	64 Å²	64	46 Å²	46	30%	0.299	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	166.3	173.7	-73.7	-140.3	163.3	0	0	112.9	H115 K117	H115-E204 PolarHBondContact O-N 3.32Å; K117-E204 HydrophobicContact CD-CG 4.48Å; K117-E204 WeakPolarHBondContact CD-OE2 3.26Å; K117-E204 WeakPolarHBondContact CE-OE2 3.39Å; K117-E204 HydrophobicContact CG-CG 4.17Å; K117-E204 WeakPolarHBondContact CG-OE2 3.44Å; K117-E204 IonicContact NZ-OE1 3.1Å; K117-E204 PolarHBondContact NZ-OE1 2.79Å; K117-E204 IonicContact NZ-OE2 3.46Å; K117-E204 PolarHBondContact NZ-OE2 2.8Å
205	G	86.4	Confident	90.3	Very high	50 Å²	50	51.6 Å²	51.6	52%	0.515	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	63.3	-154.2	-176.2	0	0	0	0	0	113.3	K89	K89-G205 VanDerWaalsContact CB-O 3.32Å; K89-G205 WeakPolarHBondContact CB-O 3.48Å
206	D	91	Very high	90.1	Very high	75 Å²	75	53.2 Å²	53.2	40%	0.401	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	160.6	-178.3	-70	-7.4	0	0	0	111.8	S86 T114	S86-D206 WeakPolarHBondContact OG-CB 3.36Å; S86-D206 PolarHBondContact OG-OD2 3.03Å; T114-D206 PolarHBondContact OG1-O 2.6Å
207	M	95.1	Very high	89.6	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.8	168.6	171.7	167.3	49.8	0	0	109.3	L87 W90 I98 L112 F113 T114 I243	L87-M207 WeakPolarHBondContact CA-O 3.45Å; L87-M207 HydrophobicContact CB-CB 4.2Å; L87-M207 HydrophobicContact CB-CE 4.34Å; L87-M207 VanDerWaalsContact CB-O 3.24Å; L87-M207 WeakPolarHBondContact CB-O 3.41Å; L87-M207 HydrophobicContact CD1-CE 4.15Å; L87-M207 HydrophobicContact CD1-CG 4.3Å; L87-M207 PolarHBondContact N-O 3.38Å; L87-M207 PolarHBondContact O-N 3.46Å; W90-M207 HydrophobicContact CB-CE 3.97Å; I98-M207 HydrophobicContact CD1-CE 4.49Å; I98-M207 HydrophobicContact CD1-SD 4.14Å; L112-M207 HydrophobicContact CD2-CG 4.17Å; L112-M207 HydrophobicContact CD2-SD 4.18Å; F113-M207 CarbonylContact O-C 3.58Å; T114-M207 HydrophobicContact CG2-CB 4.3Å; T114-M207 HydrophobicContact CG2-CG 4.09Å; T114-M207 HydrophobicContact CG2-SD 4.02Å; M207-I243 HydrophobicContact CE-CD1 3.45Å; M207-I243 VanDerWaalsContact CE-CD1 3.45Å; M207-I243 HydrophobicContact CE-CG1 4.34Å
208	Y	97.1	Very high	89.2	Confident	41 Å²	41	51.9 Å²	51.9	16%	0.161	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	135.2	-174.8	-57.9	-84.7	0	0	0	110.9	Y84 L112 F113 G211 L212 P213 L219	Y84-Y208 AromaticContact CD2-CD1 3.9Å; Y84-Y208 HydrophobicContact CD2-CD1 3.9Å; Y84-Y208 HydrophobicContact CD2-CE1 4.48Å; Y84-Y208 HydrophobicContact CE2-CD1 4.18Å; Y84-Y208 HydrophobicContact CE2-CE1 4.3Å; L112-Y208 WeakPolarHBondContact CA-O 3.23Å; F113-Y208 HydrophobicContact CD1-CD2 4.38Å; F113-Y208 PolarHBondContact N-O 3.44Å; F113-Y208 PolarHBondContact O-N 3.35Å; Y208-G211 WeakPolarHBondContact CB-O 3.42Å; Y208-L212 HydrophobicContact CD2-CD2 4.25Å; Y208-L212 HydrophobicContact CG-CD2 4.17Å; Y208-P213 HydrophobicContact CE1-CG 3.96Å; Y208-L219 HydrophobicContact CD2-CD1 4.25Å; Y208-L219 HydrophobicContact CE2-CD1 3.51Å
209	L	98.3	Very high	89.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.3	175.1	-176.7	76.2	0	0	0	109.5	I76 F78 Y84 I85 L87 I111 L112 G211 I238 L241 I250	I76-L209 HydrophobicContact CD1-CD2 4.38Å; F78-L209 HydrophobicContact CE2-CD2 4.45Å; F78-L209 HydrophobicContact CE2-CG 4.42Å; F78-L209 HydrophobicContact CZ-CD2 4.12Å; F78-L209 HydrophobicContact CZ-CG 4.03Å; Y84-L209 CarbonylContact C-O 3.56Å; Y84-L209 VanDerWaalsContact CA-O 3.27Å; Y84-L209 WeakPolarHBondContact CA-O 3.35Å; I85-L209 HydrophobicContact CB-CB 4.43Å; I85-L209 PolarHBondContact N-O 2.8Å; I85-L209 PolarHBondContact O-N 2.93Å; L87-L209 HydrophobicContact CD1-CB 3.95Å; L87-L209 HydrophobicContact CG-CB 4.15Å; I111-L209 WeakPolarHBondContact O-CA 3.27Å; L112-L209 HydrophobicContact CD2-CB 4.29Å; L112-L209 HydrophobicContact CD2-CD1 3.54Å; L112-L209 HydrophobicContact CG-CD1 3.94Å; L209-G211 VanDerWaalsContact C-N 3.31Å; L209-G211 PolarHBondContact O-N 2.73Å; L209-I238 HydrophobicContact CD1-CD1 3.71Å; L209-I238 HydrophobicContact CD1-CG2 4.48Å; L209-I238 HydrophobicContact CD2-CD1 4.5Å; L209-I238 HydrophobicContact CG-CD1 4.06Å; L209-L241 HydrophobicContact CD2-CD2 4.5Å; L209-I250 HydrophobicContact CD2-CG2 4.18Å
210	G	97.4	Very high	89.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	86.1	-29.4	173.8	0	0	0	0	0	116.1	A83 L110 I111 G233 Y234	A83-G210 CarbonylContact O-C 3.6Å; L110-G210 CarbonylContact O-C 3.59Å; L110-G210 VanDerWaalsContact O-C 3.3Å; L110-G210 VanDerWaalsContact O-O 3.12Å; I111-G210 PolarHBondContact O-N 2.99Å; G210-G233 CarbonylContact O-C 3.24Å; G210-Y234 WeakPolarHBondContact O-CB 3.49Å; G210-Y234 PolarHBondContact O-N 2.87Å
211	G	95.8	Very high	89	Confident	2 Å²	2	46.6 Å²	46.6	2%	0.021	27%	0.273	C	S	.	.	S	Bend	trans	-171.4	-164.9	-177.4	0	0	0	0	0	112.1	A83 Y208 L209	A83-G211 PolarHBondContact O-N 2.79Å; Y208-G211 WeakPolarHBondContact CB-O 3.42Å; L209-G211 VanDerWaalsContact C-N 3.31Å; L209-G211 PolarHBondContact O-N 2.73Å
212	L	95.1	Very high	89.1	Confident	16 Å²	16	47.2 Å²	47.2	8%	0.084	28%	0.277	C	S	.	.			trans	-129.4	150.8	176.4	-62.1	176.8	0	0	0	110.4	L110 F113 Y208 L219 L221 A228	L110-L212 HydrophobicContact CD2-CD1 3.89Å; L110-L212 HydrophobicContact CD2-CD2 3.82Å; L110-L212 HydrophobicContact CD2-CG 3.66Å; F113-L212 HydrophobicContact CB-CD2 4.32Å; F113-L212 HydrophobicContact CD1-CD2 3.68Å; F113-L212 HydrophobicContact CG-CD2 4.4Å; Y208-L212 HydrophobicContact CD2-CD2 4.25Å; Y208-L212 HydrophobicContact CG-CD2 4.17Å; L212-L219 HydrophobicContact CB-CD2 4.45Å; L212-L219 HydrophobicContact CD1-CD2 4.15Å; L212-L219 HydrophobicContact CD2-CD2 4.17Å; L212-L219 HydrophobicContact CG-CD2 4.49Å; L212-L221 HydrophobicContact CD1-CD1 4.43Å; L212-L221 HydrophobicContact CD1-CD2 3.8Å; L212-A228 HydrophobicContact CD1-CB 3.77Å
213	P	92.4	Very high	89.2	Confident	15 Å²	15	44.2 Å²	44.2	10%	0.097	26%	0.261	C	S	.	.			trans	-60.1	144.5	171.2	25.8	-34.7	0	0	0	111.9	Y84 Y208 N215	Y84-P213 HydrophobicContact CE1-CB 4.01Å; Y208-P213 HydrophobicContact CE1-CG 3.96Å; P213-N215 VanDerWaalsContact C-N 3.35Å
214	E	82.9	Confident	89.3	Confident	175 Å²	175	46 Å²	46	82%	0.818	27%	0.27	S	S	*	.	S	Bend	trans	-59.7	-45.5	172.6	-65.1	-178.7	163.6	0	0	111.2	R216	E214-R216 PolarHBondContact O-N 3.04Å
215	N	80	Confident	89.6	Confident	124 Å²	124	43 Å²	43	66%	0.663	26%	0.256	S	S	*	.			trans	-78.2	101.8	172.3	-175.1	0.1	0	0	0	110.2	P213 A217	P213-N215 VanDerWaalsContact C-N 3.35Å; N215-A217 VanDerWaalsContact C-N 3.3Å; N215-A217 PolarHBondContact O-N 2.93Å; N215-A217 WeakPolarHBondContact OD1-CB 3.24Å; N215-A217 PolarHBondContact OD1-N 2.62Å
216	R	81.6	Confident	90.1	Very high	88 Å²	88	42.8 Å²	42.8	33%	0.332	24%	0.239	S	C	.	.			trans	-88	15.9	179.8	-60.7	-177.6	-177.2	-177.2	5.2	113.9	E214 G218 L219 L221 A228 N231	E214-R216 PolarHBondContact O-N 3.04Å; R216-G218 PolarHBondContact O-N 3.31Å; R216-G218 VanDerWaalsContact O-N 3.1Å; R216-L219 HydrophobicContact CB-CB 4.22Å; R216-L219 HydrophobicContact CB-CD2 4.42Å; R216-L219 HydrophobicContact CG-CD2 4.17Å; R216-L219 WeakPolarHBondContact O-CB 3.3Å; R216-L219 PolarHBondContact O-N 3.3Å; R216-L221 VanDerWaalsContact NH1-CD1 3.33Å; R216-A228 PolarHBondContact NH1-O 3.4Å; R216-N231 PolarHBondContact NH1-OD1 2.71Å; R216-N231 PolarHBondContact NH2-OD1 2.84Å
217	A	76.3	Confident	90.4	Very high	84 Å²	84	39.2 Å²	39.2	69%	0.694	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	116.9	177.5	0	0	0	0	0	111.5	N215 L219	N215-A217 VanDerWaalsContact C-N 3.3Å; N215-A217 PolarHBondContact O-N 2.93Å; N215-A217 WeakPolarHBondContact OD1-CB 3.24Å; N215-A217 PolarHBondContact OD1-N 2.62Å; A217-L219 VanDerWaalsContact C-N 3.3Å; A217-L219 PolarHBondContact O-N 2.99Å
218	G	77.2	Confident	90.3	Very high	72 Å²	72	39.3 Å²	39.3	74%	0.742	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.8	-5.5	-176.9	0	0	0	0	0	115.5	R216	R216-G218 PolarHBondContact O-N 3.31Å; R216-G218 VanDerWaalsContact O-N 3.1Å
219	L	87.1	Confident	90	Very high	21 Å²	21	38.5 Å²	38.5	11%	0.11	22%	0.219	C	C	.	.			trans	-86.1	117.1	176	-166.2	78.9	0	0	0	109.8	F113 Y208 L212 R216 A217 L221	F113-L219 HydrophobicContact CE1-CD1 4.05Å; F113-L219 HydrophobicContact CE1-CG 4.32Å; Y208-L219 HydrophobicContact CD2-CD1 4.25Å; Y208-L219 HydrophobicContact CE2-CD1 3.51Å; L212-L219 HydrophobicContact CB-CD2 4.45Å; L212-L219 HydrophobicContact CD1-CD2 4.15Å; L212-L219 HydrophobicContact CD2-CD2 4.17Å; L212-L219 HydrophobicContact CG-CD2 4.49Å; R216-L219 HydrophobicContact CB-CB 4.22Å; R216-L219 HydrophobicContact CB-CD2 4.42Å; R216-L219 HydrophobicContact CG-CD2 4.17Å; R216-L219 WeakPolarHBondContact O-CB 3.3Å; R216-L219 PolarHBondContact O-N 3.3Å; A217-L219 VanDerWaalsContact C-N 3.3Å; A217-L219 PolarHBondContact O-N 2.99Å; L219-L221 HydrophobicContact CD2-CD2 3.73Å; L219-L221 HydrophobicContact CD2-CG 4.43Å; L219-L221 HydrophobicContact CG-CD2 4.05Å
220	I	87.6	Confident	89.9	Confident	40 Å²	40	38.6 Å²	38.6	21%	0.205	22%	0.22	C	C	.	.			trans	-97.5	119.5	177.8	-62.5	173.8	0	0	0	108.4	F113 H115 P118 V132 P222	F113-I220 WeakPolarHBondContact CZ-O 3.41Å; H115-I220 PolarHBondContact CD2-O 3.4Å; H115-I220 PolarHBondContact NE2-N 3.25Å; H115-I220 VanDerWaalsContact NE2-N 3.14Å; P118-I220 HydrophobicContact CB-CD1 3.7Å; P118-I220 HydrophobicContact CG-CD1 3.95Å; V132-I220 HydrophobicContact CG1-CB 4.02Å; V132-I220 HydrophobicContact CG1-CD1 3.67Å; V132-I220 HydrophobicContact CG1-CG1 4.43Å; V132-I220 HydrophobicContact CG1-CG2 3.9Å; V132-I220 HydrophobicContact CG2-CB 4.37Å; V132-I220 HydrophobicContact CG2-CG2 3.9Å; I220-P222 WeakPolarHBondContact O-CD 3.24Å
221	L	89.9	Confident	89.7	Confident	34 Å²	34	41.4 Å²	41.4	18%	0.178	24%	0.235	C	C	.	.			trans	-99.8	115	-179.2	-62.3	-175.9	0	0	0	111	F113 L212 R216 L219 A228 M229	F113-L221 HydrophobicContact CE1-CD2 3.78Å; F113-L221 HydrophobicContact CZ-CD2 4.13Å; L212-L221 HydrophobicContact CD1-CD1 4.43Å; L212-L221 HydrophobicContact CD1-CD2 3.8Å; R216-L221 VanDerWaalsContact NH1-CD1 3.33Å; L219-L221 HydrophobicContact CD2-CD2 3.73Å; L219-L221 HydrophobicContact CD2-CG 4.43Å; L219-L221 HydrophobicContact CG-CD2 4.05Å; L221-A228 HydrophobicContact CD1-CB 4.2Å; L221-A228 HydrophobicContact CD2-CB 4.08Å; L221-M229 HydrophobicContact CB-SD 3.83Å; L221-M229 HydrophobicContact CD1-SD 4.01Å
222	P	91.9	Very high	89.8	Confident	12 Å²	12	44.8 Å²	44.8	8%	0.078	25%	0.247	C	C	.	.			trans	-64.1	137.8	171.5	-19.4	32.1	0	0	0	111.1	F113 V132 F134 I220 E224 L225	F113-P222 HydrophobicContact CE2-CG 4.29Å; V132-P222 HydrophobicContact CG2-CG 4.33Å; F134-P222 HydrophobicContact CB-CG 4.16Å; F134-P222 HydrophobicContact CD1-CB 3.94Å; F134-P222 HydrophobicContact CD1-CG 3.43Å; F134-P222 VanDerWaalsContact CD1-CG 3.43Å; F134-P222 HydrophobicContact CD2-CB 4.5Å; F134-P222 HydrophobicContact CD2-CG 3.82Å; F134-P222 HydrophobicContact CE1-CB 3.52Å; F134-P222 HydrophobicContact CE1-CG 3.57Å; F134-P222 HydrophobicContact CE2-CB 4.13Å; F134-P222 HydrophobicContact CE2-CG 3.95Å; F134-P222 HydrophobicContact CG-CB 4.4Å; F134-P222 HydrophobicContact CG-CG 3.55Å; F134-P222 HydrophobicContact CZ-CB 3.63Å; F134-P222 HydrophobicContact CZ-CG 3.83Å; I220-P222 WeakPolarHBondContact O-CD 3.24Å; P222-E224 PolarHBondContact O-N 3.08Å; P222-L225 WeakPolarHBondContact O-CB 3.33Å; P222-L225 PolarHBondContact O-N 3.06Å; P222-L225 VanDerWaalsContact O-N 3.1Å
223	T	91.6	Very high	89.9	Confident	12 Å²	12	44.5 Å²	44.5	7%	0.074	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.7	-179.1	56.9	0	0	0	0	113.6	L225 H330 E332 R434	T223-L225 VanDerWaalsContact C-N 3.3Å; T223-H330 HydrophobicContact CG2-CB 3.51Å; T223-H330 WeakPolarHBondContact CG2-O 3.28Å; T223-E332 PolarHBondContact OG1-OE1 3.08Å; T223-R434 HydrophobicContact CG2-CG 4.3Å; T223-R434 PolarHBondContact OG1-NE 2.87Å; T223-R434 PolarHBondContact OG1-NH2 3.17Å
224	E	92.8	Very high	90.2	Very high	41 Å²	41	43.9 Å²	43.9	19%	0.192	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-22.3	-179.6	-61.9	82.4	168.8	0	0	111.6	F134 L147 T154 K156 P222 W226 R434	F134-E224 HydrophobicContact CZ-CB 4.43Å; L147-E224 HydrophobicContact CD2-CB 4.32Å; L147-E224 WeakPolarHBondContact CD2-O 3.36Å; T154-E224 HydrophobicContact CG2-CB 3.93Å; T154-E224 HydrophobicContact CG2-CG 4.05Å; K156-E224 PolarHBondContact NZ-O 2.83Å; P222-E224 PolarHBondContact O-N 3.08Å; E224-W226 PolarHBondContact O-N 2.97Å; E224-R434 IonicContact OE1-CZ 2.73Å; E224-R434 IonicContact OE1-NH2 3.76Å; E224-R434 PolarHBondContact OE1-NH2 2.73Å; E224-R434 IonicContact OE2-NH2 3.82Å
225	L	94.9	Very high	90.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.206	C	C	.	.			trans	-88.3	79.3	177.2	-172.9	62.2	0	0	0	110.9	L110 F113 A136 E138 L147 P222 T223 T227 A228	L110-L225 HydrophobicContact CD1-CD1 3.8Å; L110-L225 HydrophobicContact CD1-CD2 4.07Å; L110-L225 HydrophobicContact CD1-CG 4.24Å; F113-L225 HydrophobicContact CB-CD2 4.44Å; F113-L225 HydrophobicContact CD2-CD2 3.31Å; F113-L225 HydrophobicContact CE2-CD2 3.57Å; F113-L225 HydrophobicContact CG-CD2 3.88Å; F113-L225 HydrophobicContact CZ-CD2 4.31Å; A136-L225 HydrophobicContact CB-CD1 3.43Å; A136-L225 VanDerWaalsContact CB-CD1 3.43Å; A136-L225 HydrophobicContact CB-CD2 4.04Å; A136-L225 HydrophobicContact CB-CG 4.36Å; E138-L225 HydrophobicContact CB-CD1 4.36Å; E138-L225 HydrophobicContact CG-CD1 4.47Å; L147-L225 HydrophobicContact CD1-CD1 4.21Å; L147-L225 HydrophobicContact CD2-CB 4.5Å; L147-L225 HydrophobicContact CD2-CD1 4.26Å; P222-L225 WeakPolarHBondContact O-CB 3.33Å; P222-L225 PolarHBondContact O-N 3.06Å; P222-L225 VanDerWaalsContact O-N 3.1Å; T223-L225 VanDerWaalsContact C-N 3.3Å; L225-T227 PolarHBondContact O-N 3.15Å; L225-A228 HydrophobicContact CD2-CB 3.83Å; L225-A228 HydrophobicContact CG-CB 3.91Å; L225-A228 PolarHBondContact O-N 3.31Å
226	W	96.5	Very high	91.7	Very high	46 Å²	46	29.7 Å²	29.7	17%	0.174	17%	0.174	C	C	.	.	H	α-helix	trans	-62.8	-38.2	-169.3	-59.3	-16	0	0	0	113.3	E138 L140 E224 A228 M229 L230 A333 R411	E138-W226 PolarHBondContact OE2-N 3.13Å; L140-W226 HydrophobicContact CD1-CB 4.43Å; L140-W226 HydrophobicContact CD1-CD2 4.4Å; L140-W226 HydrophobicContact CD1-CE3 3.63Å; L140-W226 HydrophobicContact CD1-CZ3 4.28Å; E224-W226 PolarHBondContact O-N 2.97Å; W226-A228 VanDerWaalsContact C-N 3.28Å; W226-A228 PolarHBondContact O-N 3.36Å; W226-M229 PolarHBondContact O-N 2.83Å; W226-L230 HydrophobicContact CB-CD1 4.36Å; W226-L230 WeakPolarHBondContact O-CB 3.35Å; W226-L230 VanDerWaalsContact O-CG 3.26Å; W226-L230 WeakPolarHBondContact O-CG 3.48Å; W226-L230 PolarHBondContact O-N 2.94Å; W226-A333 HydrophobicContact CB-CB 3.75Å; W226-A333 HydrophobicContact CD2-CB 3.91Å; W226-A333 HydrophobicContact CE3-CB 4.5Å; W226-A333 HydrophobicContact CG-CB 3.55Å; W226-R411 HydrophobicContact CE3-CB 4.38Å; W226-R411 HydrophobicContact CH2-CB 4.17Å; W226-R411 HydrophobicContact CZ3-CB 3.85Å; W226-R411 HydrophobicContact CZ3-CG 4.46Å
227	T	96.8	Very high	92.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.5	-37.1	178.7	46	0	0	0	0	113.1	E138 L140 L225 N231 Y232	E138-T227 HydrophobicContact CB-CG2 3.88Å; E138-T227 WeakPolarHBondContact CB-OG1 3.33Å; E138-T227 HydrophobicContact CG-CG2 4.38Å; E138-T227 WeakPolarHBondContact OE2-CB 3.32Å; E138-T227 VanDerWaalsContact OE2-CG2 3.31Å; E138-T227 WeakPolarHBondContact OE2-CG2 3.32Å; E138-T227 PolarHBondContact OE2-N 3.05Å; E138-T227 PolarHBondContact OE2-OG1 3.44Å; L140-T227 HydrophobicContact CD2-CG2 3.71Å; L140-T227 HydrophobicContact CG-CG2 4.15Å; L225-T227 PolarHBondContact O-N 3.15Å; T227-N231 PolarHBondContact O-N 2.87Å; T227-N231 VanDerWaalsContact O-N 3.12Å; T227-Y232 PolarHBondContact O-N 3.34Å
228	A	93.5	Very high	93.5	Very high	3 Å²	3	21.5 Å²	21.5	3%	0.025	13%	0.125	C	C	.	.	H	α-helix	trans	-69.1	-36.4	177.6	0	0	0	0	0	113.1	L110 L212 R216 L221 L225 W226	L110-A228 HydrophobicContact CD2-CB 4.33Å; L212-A228 HydrophobicContact CD1-CB 3.77Å; R216-A228 PolarHBondContact NH1-O 3.4Å; L221-A228 HydrophobicContact CD1-CB 4.2Å; L221-A228 HydrophobicContact CD2-CB 4.08Å; L225-A228 HydrophobicContact CD2-CB 3.83Å; L225-A228 HydrophobicContact CG-CB 3.91Å; L225-A228 PolarHBondContact O-N 3.31Å; W226-A228 VanDerWaalsContact C-N 3.28Å; W226-A228 PolarHBondContact O-N 3.36Å
229	M	91.1	Very high	94.4	Very high	23 Å²	23	21.7 Å²	21.7	11%	0.113	10%	0.103	C	C	.	.	H	α-helix	trans	-80.4	-22.3	179	-61.6	-53.7	-64.9	0	0	113.4	L221 W226 M329 H330 T331 N468	L221-M229 HydrophobicContact CB-SD 3.83Å; L221-M229 HydrophobicContact CD1-SD 4.01Å; W226-M229 PolarHBondContact O-N 2.83Å; M229-M329 HydrophobicContact CE-CE 3.78Å; M229-H330 WeakPolarHBondContact CE-O 3.32Å; M229-T331 HydrophobicContact CE-CG2 3.83Å; M229-N468 PolarHBondContact O-ND2 3.34Å
230	L	95	Very high	94.6	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-0.2	175.2	-64.9	173	0	0	0	113.5	W226 Y232 A333 D335 R411	W226-L230 HydrophobicContact CB-CD1 4.36Å; W226-L230 WeakPolarHBondContact O-CB 3.35Å; W226-L230 VanDerWaalsContact O-CG 3.26Å; W226-L230 WeakPolarHBondContact O-CG 3.48Å; W226-L230 PolarHBondContact O-N 2.94Å; L230-Y232 VanDerWaalsContact C-N 3.3Å; L230-Y232 HydrophobicContact CB-CD1 4.49Å; L230-Y232 HydrophobicContact CB-CD2 3.84Å; L230-Y232 HydrophobicContact CB-CE2 3.97Å; L230-Y232 HydrophobicContact CB-CG 4.14Å; L230-Y232 HydrophobicContact CD1-CD2 4.06Å; L230-Y232 HydrophobicContact CD1-CE2 3.8Å; L230-Y232 PolarHBondContact O-N 3.04Å; L230-A333 HydrophobicContact CD1-CB 4.06Å; L230-A333 HydrophobicContact CD2-CB 4.47Å; L230-A333 HydrophobicContact CG-CB 4.34Å; L230-D335 HydrophobicContact CD2-CB 4.28Å; L230-R411 VanDerWaalsContact CD1-CZ 3.5Å
231	N	94.3	Very high	94.9	Very high	59 Å²	59	21 Å²	21	32%	0.316	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	34.9	-176.6	-57.9	-49.7	0	0	0	114.3	R216 T227 G233 N468	R216-N231 PolarHBondContact NH1-OD1 2.71Å; R216-N231 PolarHBondContact NH2-OD1 2.84Å; T227-N231 PolarHBondContact O-N 2.87Å; T227-N231 VanDerWaalsContact O-N 3.12Å; N231-G233 PolarHBondContact O-N 2.82Å; N231-N468 PolarHBondContact ND2-O 3.21Å
232	Y	96.6	Very high	95.1	Very high	73 Å²	73	19.9 Å²	19.9	29%	0.286	9%	0.094	S	C	.	.			trans	-94.4	84.4	174.9	-65.1	-22.8	0	0	0	111.2	N108 G109 L110 T227 L230 D335	N108-Y232 HydrophobicContact CB-CD2 3.54Å; N108-Y232 HydrophobicContact CB-CE2 4.01Å; N108-Y232 HydrophobicContact CB-CG 3.94Å; N108-Y232 WeakPolarHBondContact ND2-CE2 3.44Å; G109-Y232 CarbonylContact C-O 3.6Å; G109-Y232 WeakPolarHBondContact CA-O 3.48Å; L110-Y232 PolarHBondContact N-O 3.16Å; T227-Y232 PolarHBondContact O-N 3.34Å; L230-Y232 VanDerWaalsContact C-N 3.3Å; L230-Y232 HydrophobicContact CB-CD1 4.49Å; L230-Y232 HydrophobicContact CB-CD2 3.84Å; L230-Y232 HydrophobicContact CB-CE2 3.97Å; L230-Y232 HydrophobicContact CB-CG 4.14Å; L230-Y232 HydrophobicContact CD1-CD2 4.06Å; L230-Y232 HydrophobicContact CD1-CE2 3.8Å; L230-Y232 PolarHBondContact O-N 3.04Å; Y232-D335 PolarHBondContact OH-OD2 2.99Å
233	G	97.3	Very high	95.1	Very high	11 Å²	11	19.9 Å²	19.9	11%	0.113	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-75.3	160.4	162.4	0	0	0	0	0	112.4	P81 G210 N231	P81-G233 VanDerWaalsContact O-CA 3.26Å; P81-G233 WeakPolarHBondContact O-CA 3.28Å; G210-G233 CarbonylContact O-C 3.24Å; N231-G233 PolarHBondContact O-N 2.82Å
234	Y	98.5	Very high	95	Very high	1 Å²	1	21 Å²	21	0%	0.004	10%	0.099	C	C	.	.			trans	-82.1	125.3	-176.4	174.2	-94	0	0	0	112.2	F78 F102 R103 T104 L110 I111 G210 G236 C237 I238	F78-Y234 VanDerWaalsContact CB-O 3.3Å; F78-Y234 WeakPolarHBondContact CB-O 2.9Å; F78-Y234 HydrophobicContact CD2-CD1 4.08Å; F78-Y234 HydrophobicContact CD2-CE1 4.28Å; F78-Y234 HydrophobicContact CG-CD1 4.5Å; F102-Y234 HydrophobicContact CD2-CE2 4.3Å; R103-Y234 PolarHBondContact N-OH 3.47Å; R103-Y234 PolarHBondContact O-OH 3.48Å; R103-Y234 VanDerWaalsContact O-OH 3.1Å; T104-Y234 HydrophobicContact CG2-CE2 3.72Å; L110-Y234 VanDerWaalsContact O-CB 3.23Å; L110-Y234 WeakPolarHBondContact O-CB 3.28Å; I111-Y234 HydrophobicContact CD1-CD2 4.11Å; I111-Y234 HydrophobicContact CD1-CE2 4.15Å; I111-Y234 HydrophobicContact CG1-CD2 3.64Å; I111-Y234 HydrophobicContact CG1-CE2 4.15Å; I111-Y234 HydrophobicContact CG1-CG 4.05Å; G210-Y234 WeakPolarHBondContact O-CB 3.49Å; G210-Y234 PolarHBondContact O-N 2.87Å; Y234-G236 VanDerWaalsContact CE1-C 3.44Å; Y234-C237 PolarHBondContact OH-N 2.84Å; Y234-C237 PolarHBondContact OH-O 3.24Å; Y234-C237 VanDerWaalsContact OH-O 3.04Å; Y234-I238 HydrophobicContact CD1-CD1 4.13Å; Y234-I238 HydrophobicContact CD1-CG1 4.42Å; Y234-I238 HydrophobicContact CE1-CD1 3.92Å; Y234-I238 HydrophobicContact CE1-CG1 3.73Å
235	V	98.4	Very high	94.6	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.006	9%	0.09	C	C	.	.			trans	-110.3	127.8	168.4	-178.6	0	0	0	0	107.5	F78 T80 P81 T104 E106 W289	F78-V235 VanDerWaalsContact O-CG1 3.27Å; F78-V235 WeakPolarHBondContact O-CG1 3.01Å; T80-V235 VanDerWaalsContact C-CG2 3.43Å; P81-V235 HydrophobicContact CB-CG2 4.44Å; P81-V235 HydrophobicContact CG-CG2 3.91Å; T104-V235 WeakPolarHBondContact CB-O 3.42Å; T104-V235 PolarHBondContact OG1-O 2.91Å; E106-V235 HydrophobicContact CG-CB 4.01Å; E106-V235 HydrophobicContact CG-CG1 4.49Å; V235-W289 HydrophobicContact CG1-CB 4.16Å
236	G	97.8	Very high	94.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.2	-178	-166.7	0	0	0	0	0	113.3	F78 R103 Y234 W289	F78-G236 PolarHBondContact N-O 2.96Å; F78-G236 PolarHBondContact O-N 2.88Å; R103-G236 WeakPolarHBondContact O-CA 3.48Å; Y234-G236 VanDerWaalsContact CE1-C 3.44Å; G236-W289 VanDerWaalsContact CA-CD1 3.45Å
237	C	97.8	Very high	93.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	144.8	179	-54.3	0	0	0	0	113.4	I76 N77 F102 R103 W169 Y234 C266 W289	I76-C237 WeakPolarHBondContact O-CA 3.49Å; I76-C237 WeakPolarHBondContact O-CB 3.39Å; N77-C237 PolarHBondContact OD1-SG 2.8Å; N77-C237 VanDerWaalsContact OD1-SG 3.37Å; F102-C237 CarbonylContact C-O 3.51Å; F102-C237 VanDerWaalsContact CA-O 3.29Å; F102-C237 WeakPolarHBondContact CA-O 3.49Å; R103-C237 HydrophobicContact CB-CB 4.31Å; R103-C237 PolarHBondContact N-O 3.01Å; R103-C237 PolarHBondContact O-N 3.09Å; W169-C237 HydrophobicContact CH2-CB 3.55Å; W169-C237 HydrophobicContact CZ2-CB 4.16Å; W169-C237 HydrophobicContact CZ3-CB 4.13Å; Y234-C237 PolarHBondContact OH-N 2.84Å; Y234-C237 PolarHBondContact OH-O 3.24Å; Y234-C237 VanDerWaalsContact OH-O 3.04Å; C237-C266 HydrophobicContact CB-CB 3.58Å; C237-C266 WeakPolarHBondContact CB-SG 3.23Å; C237-C266 WeakPolarHBondContact SG-CB 3.35Å; C237-C266 CovalentContact SG-SG 2.02Å; C237-C266 PolarHBondContact SG-SG 3.44Å; C237-W289 WeakPolarHBondContact SG-CZ2 3.48Å
238	I	97.8	Very high	93.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.2	171.1	-57.7	-174.8	0	0	0	109.2	I76 F78 F100 D101 I111 L209 Y234 I250	I76-I238 HydrophobicContact CG1-CB 4.45Å; I76-I238 WeakPolarHBondContact CG1-O 3.38Å; I76-I238 PolarHBondContact N-O 3.46Å; I76-I238 PolarHBondContact O-N 2.94Å; I76-I238 VanDerWaalsContact O-N 3.13Å; F78-I238 HydrophobicContact CD2-CD1 4.43Å; F78-I238 HydrophobicContact CD2-CG1 4.47Å; F78-I238 HydrophobicContact CE2-CB 4.41Å; F78-I238 HydrophobicContact CE2-CD1 3.88Å; F78-I238 HydrophobicContact CE2-CG1 4.14Å; F100-I238 HydrophobicContact CB-CG2 4.45Å; F100-I238 HydrophobicContact CD2-CG2 4.5Å; D101-I238 WeakPolarHBondContact O-CA 3.36Å; I111-I238 HydrophobicContact CG2-CD1 3.92Å; L209-I238 HydrophobicContact CD1-CD1 3.71Å; L209-I238 HydrophobicContact CD1-CG2 4.48Å; L209-I238 HydrophobicContact CD2-CD1 4.5Å; L209-I238 HydrophobicContact CG-CD1 4.06Å; Y234-I238 HydrophobicContact CD1-CD1 4.13Å; Y234-I238 HydrophobicContact CD1-CG1 4.42Å; Y234-I238 HydrophobicContact CE1-CD1 3.92Å; Y234-I238 HydrophobicContact CE1-CG1 3.73Å; I238-I250 HydrophobicContact CB-CD1 4.37Å; I238-I250 HydrophobicContact CG2-CD1 3.99Å
239	R	94.4	Very high	93.3	Very high	76 Å²	76	33 Å²	33	29%	0.287	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	177.2	172.7	70.7	176.7	-176.1	176.3	3.5	111.5	P75 D101 W169 L241	P75-R239 HydrophobicContact CB-CB 3.82Å; D101-R239 HydrophobicContact CB-CG 3.53Å; D101-R239 PolarHBondContact N-O 3.22Å; D101-R239 PolarHBondContact O-N 3.07Å; D101-R239 IonicContact OD2-CZ 3.29Å; D101-R239 VanDerWaalsContact OD2-CZ 3.26Å; D101-R239 IonicContact OD2-NE 2.87Å; D101-R239 PolarHBondContact OD2-NE 3.15Å; D101-R239 IonicContact OD2-NH2 2.83Å; D101-R239 PolarHBondContact OD2-NH2 2.84Å; W169-R239 HydrophobicContact CE3-CG 4.41Å; W169-R239 HydrophobicContact CH2-CB 4.2Å; W169-R239 HydrophobicContact CH2-CG 3.75Å; W169-R239 HydrophobicContact CZ2-CG 4.42Å; W169-R239 HydrophobicContact CZ3-CB 4.49Å; W169-R239 HydrophobicContact CZ3-CG 3.76Å; R239-L241 PolarHBondContact O-N 2.91Å; R239-L241 VanDerWaalsContact O-N 3.13Å
240	D	91.9	Very high	93.5	Very high	45 Å²	45	32.1 Å²	32.1	24%	0.241	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50.2	42.7	169.9	-62.5	-47.8	0	0	0	112.9	F242	D240-F242 HydrophobicContact CB-CE2 4.39Å; D240-F242 WeakPolarHBondContact O-CD2 3.44Å; D240-F242 PolarHBondContact O-N 2.68Å
241	L	94.9	Very high	93.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	120.4	178	177.8	65.7	0	0	0	110.4	L87 I98 S99 F100 L209 R239 I243 S247 K248 I250	L87-L241 HydrophobicContact CD1-CD2 3.7Å; L87-L241 HydrophobicContact CD2-CD2 4.09Å; I98-L241 HydrophobicContact CG2-CD1 4.13Å; S99-L241 CarbonylContact O-C 3.59Å; S99-L241 WeakPolarHBondContact O-CA 3.38Å; F100-L241 HydrophobicContact CB-CD1 3.99Å; L209-L241 HydrophobicContact CD2-CD2 4.5Å; R239-L241 PolarHBondContact O-N 2.91Å; R239-L241 VanDerWaalsContact O-N 3.13Å; L241-I243 HydrophobicContact CD1-CG1 4.49Å; L241-S247 CarbonylContact O-C 3.57Å; L241-S247 WeakPolarHBondContact O-CA 3.48Å; L241-K248 HydrophobicContact CB-CB 4.38Å; L241-K248 HydrophobicContact CD2-CB 4.05Å; L241-K248 HydrophobicContact CD2-CG 4.31Å; L241-K248 HydrophobicContact CG-CB 4.18Å; L241-K248 HydrophobicContact CG-CG 4.3Å; L241-K248 PolarHBondContact O-N 2.99Å; L241-I250 HydrophobicContact CB-CG2 3.99Å; L241-I250 HydrophobicContact CD2-CG2 3.55Å; L241-I250 HydrophobicContact CG-CG2 4.4Å
242	F	92.6	Very high	93.2	Very high	12 Å²	12	37 Å²	37	5%	0.053	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	140.4	168.8	-65.2	-104.1	0	0	0	110.3	N26 M29 I98 S99 D240 R246 S247	N26-F242 HydrophobicContact CB-CD1 4.08Å; N26-F242 HydrophobicContact CB-CE1 4.18Å; N26-F242 HydrophobicContact CB-CG 4.32Å; N26-F242 VanDerWaalsContact OD1-CB 3.25Å; N26-F242 WeakPolarHBondContact OD1-CB 3.5Å; N26-F242 VanDerWaalsContact OD1-CG 3.32Å; N26-F242 WeakPolarHBondContact OD1-CG 3.29Å; M29-F242 HydrophobicContact CE-CZ 3.89Å; M29-F242 HydrophobicContact CG-CE1 4.28Å; M29-F242 HydrophobicContact CG-CZ 4.26Å; M29-F242 HydrophobicContact SD-CE1 4.07Å; M29-F242 HydrophobicContact SD-CZ 3.8Å; I98-F242 WeakPolarHBondContact CA-O 3.45Å; S99-F242 PolarHBondContact N-O 2.69Å; S99-F242 PolarHBondContact O-N 3.45Å; D240-F242 HydrophobicContact CB-CE2 4.39Å; D240-F242 WeakPolarHBondContact O-CD2 3.44Å; D240-F242 PolarHBondContact O-N 2.68Å; F242-R246 WeakPolarHBondContact CA-O 3.37Å; F242-S247 VanDerWaalsContact CD1-N 3.34Å
243	I	92.2	Very high	93	Very high	11 Å²	11	34.8 Å²	34.8	6%	0.056	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	123.2	171	-58.7	168.7	0	0	0	107	W90 I98 M207 L241 G245 R246 K248	W90-I243 HydrophobicContact CG-CG2 4.06Å; I98-I243 HydrophobicContact CG1-CG1 4.49Å; M207-I243 HydrophobicContact CE-CD1 3.45Å; M207-I243 VanDerWaalsContact CE-CD1 3.45Å; M207-I243 HydrophobicContact CE-CG1 4.34Å; L241-I243 HydrophobicContact CD1-CG1 4.49Å; I243-G245 VanDerWaalsContact C-N 3.26Å; I243-G245 PolarHBondContact O-N 3.33Å; I243-R246 PolarHBondContact N-O 3.39Å; I243-R246 WeakPolarHBondContact O-CB 3.22Å; I243-R246 PolarHBondContact O-N 2.63Å; I243-K248 HydrophobicContact CD1-CD 4.43Å; I243-K248 HydrophobicContact CD1-CG 4.03Å; I243-K248 HydrophobicContact CG1-CG 4.25Å
244	D	89.5	Confident	92.8	Very high	37 Å²	37	34.8 Å²	34.8	20%	0.198	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	49.6	-173.6	-52.6	-41.3	0	0	0	111.7	W90 G96 S97 R246	W90-D244 VanDerWaalsContact NE1-CG 3.32Å; W90-D244 PolarHBondContact NE1-OD1 3.17Å; W90-D244 PolarHBondContact NE1-OD2 3.16Å; G96-D244 VanDerWaalsContact CA-OD1 3.3Å; G96-D244 WeakPolarHBondContact CA-OD1 3.22Å; S97-D244 PolarHBondContact N-OD1 2.82Å; S97-D244 PolarHBondContact O-N 3.02Å; D244-R246 PolarHBondContact O-N 2.74Å; D244-R246 VanDerWaalsContact O-N 3.12Å
245	G	83.8	Confident	92.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.01	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	1.6	-176.9	0	0	0	0	0	116.1	S25 N27 I243	S25-G245 WeakPolarHBondContact O-CA 3.24Å; N27-G245 WeakPolarHBondContact CB-O 3.2Å; N27-G245 PolarHBondContact N-O 3.05Å; N27-G245 VanDerWaalsContact N-O 3.15Å; N27-G245 VanDerWaalsContact ND2-C 3.32Å; N27-G245 PolarHBondContact ND2-O 2.88Å; I243-G245 VanDerWaalsContact C-N 3.26Å; I243-G245 PolarHBondContact O-N 3.33Å
246	R	86.1	Confident	92.3	Very high	162 Å²	162	45.8 Å²	45.8	61%	0.611	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.9	180	-56.4	-177.5	-172.4	-153.6	2.4	111.2	F242 I243 D244	F242-R246 WeakPolarHBondContact CA-O 3.37Å; I243-R246 PolarHBondContact N-O 3.39Å; I243-R246 WeakPolarHBondContact O-CB 3.22Å; I243-R246 PolarHBondContact O-N 2.63Å; D244-R246 PolarHBondContact O-N 2.74Å; D244-R246 VanDerWaalsContact O-N 3.12Å
247	S	88.5	Confident	92.2	Very high	52 Å²	52	49.2 Å²	49.2	36%	0.364	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	151.3	176.6	46.4	0	0	0	0	113	L241 F242	L241-S247 CarbonylContact O-C 3.57Å; L241-S247 WeakPolarHBondContact O-CA 3.48Å; F242-S247 VanDerWaalsContact CD1-N 3.34Å
248	K	91.3	Very high	92	Very high	57 Å²	57	56 Å²	56	25%	0.248	27%	0.268	C	S	.	.			trans	-127.2	122.3	177.7	-56.7	-64	171.1	178.8	0	109.7	L241 I243 I250	L241-K248 HydrophobicContact CB-CB 4.38Å; L241-K248 HydrophobicContact CD2-CB 4.05Å; L241-K248 HydrophobicContact CD2-CG 4.31Å; L241-K248 HydrophobicContact CG-CB 4.18Å; L241-K248 HydrophobicContact CG-CG 4.3Å; L241-K248 PolarHBondContact O-N 2.99Å; I243-K248 HydrophobicContact CD1-CD 4.43Å; I243-K248 HydrophobicContact CD1-CG 4.03Å; I243-K248 HydrophobicContact CG1-CG 4.25Å; K248-I250 VanDerWaalsContact C-N 3.34Å; K248-I250 HydrophobicContact CB-CG2 4.38Å; K248-I250 PolarHBondContact O-N 3.03Å
249	N	90.4	Very high	91.7	Very high	69 Å²	69	57 Å²	57	37%	0.369	28%	0.276	S	S	.	.			trans	-78.8	84.3	174.5	-171.5	-16.1	0	0	0	110.1	L73 R251 Q252 L253	L73-N249 HydrophobicContact CD2-CB 4.46Å; N249-R251 VanDerWaalsContact C-N 3.3Å; N249-R251 PolarHBondContact O-N 3.01Å; N249-R251 PolarHBondContact OD1-N 3.37Å; N249-Q252 HydrophobicContact CB-CB 4.05Å; N249-Q252 VanDerWaalsContact CG-CB 3.47Å; N249-Q252 PolarHBondContact ND2-OE1 3.23Å; N249-Q252 PolarHBondContact O-N 2.03Å; N249-Q252 PolarHBondContact OD1-N 3.48Å; N249-Q252 VanDerWaalsContact OD1-N 3.08Å; N249-L253 PolarHBondContact O-N 3.4Å; N249-L253 VanDerWaalsContact O-N 3.09Å
250	I	93.8	Very high	91.7	Very high	5 Å²	5	57.4 Å²	57.4	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-66.3	-27.7	-177.3	59.2	-175.6	0	0	0	113.5	I76 L87 L209 I238 L241 K248 L253 A254	I76-I250 HydrophobicContact CD1-CB 4.09Å; I76-I250 HydrophobicContact CD1-CD1 3.79Å; I76-I250 HydrophobicContact CD1-CG1 3.95Å; I76-I250 HydrophobicContact CG1-CD1 3.69Å; I76-I250 HydrophobicContact CG1-CG1 4.02Å; I76-I250 HydrophobicContact CG2-CG1 4.19Å; L87-I250 HydrophobicContact CD2-CG2 4.45Å; L209-I250 HydrophobicContact CD2-CG2 4.18Å; I238-I250 HydrophobicContact CB-CD1 4.37Å; I238-I250 HydrophobicContact CG2-CD1 3.99Å; L241-I250 HydrophobicContact CB-CG2 3.99Å; L241-I250 HydrophobicContact CD2-CG2 3.55Å; L241-I250 HydrophobicContact CG-CG2 4.4Å; K248-I250 VanDerWaalsContact C-N 3.34Å; K248-I250 HydrophobicContact CB-CG2 4.38Å; K248-I250 PolarHBondContact O-N 3.03Å; I250-L253 PolarHBondContact O-N 3.07Å; I250-A254 PolarHBondContact O-N 3.02Å
251	R	91.6	Very high	91.8	Very high	65 Å²	65	56.3 Å²	56.3	25%	0.245	30%	0.295	C	S	.	.	H	α-helix	trans	-62.7	-51.1	170.6	-179.2	-166	-80.4	168.8	-10.6	110.6	D74 I76 N249 L253 A254 E255 S264	D74-R251 IonicContact OD2-CZ 2.85Å; D74-R251 IonicContact OD2-NH1 2.74Å; D74-R251 PolarHBondContact OD2-NH1 2.02Å; D74-R251 IonicContact OD2-NH2 3.22Å; D74-R251 PolarHBondContact OD2-NH2 2.71Å; I76-R251 HydrophobicContact CG2-CB 3.98Å; N249-R251 VanDerWaalsContact C-N 3.3Å; N249-R251 PolarHBondContact O-N 3.01Å; N249-R251 PolarHBondContact OD1-N 3.37Å; R251-L253 VanDerWaalsContact C-N 3.27Å; R251-L253 PolarHBondContact O-N 3.05Å; R251-A254 WeakPolarHBondContact O-CB 3.34Å; R251-A254 PolarHBondContact O-N 2.69Å; R251-A254 VanDerWaalsContact O-N 3.14Å; R251-E255 WeakPolarHBondContact CD-OE1 3.4Å; R251-E255 HydrophobicContact CG-CG 4.49Å; R251-E255 WeakPolarHBondContact CG-OE1 3.39Å; R251-E255 WeakPolarHBondContact O-CG 3.27Å; R251-E255 PolarHBondContact O-N 3.47Å; R251-S264 VanDerWaalsContact CZ-O 3.32Å; R251-S264 PolarHBondContact NE-O 2.89Å; R251-S264 VanDerWaalsContact NE-O 3.1Å; R251-S264 PolarHBondContact NH2-O 3Å
252	Q	91.3	Very high	91.9	Very high	98 Å²	98	57.5 Å²	57.5	46%	0.458	30%	0.302	S	S	.	.	H	α-helix	trans	-61.6	-37.1	179.7	-171.3	-177.8	8.7	0	0	111.7	N249 E255 M256	N249-Q252 HydrophobicContact CB-CB 4.05Å; N249-Q252 VanDerWaalsContact CG-CB 3.47Å; N249-Q252 PolarHBondContact ND2-OE1 3.23Å; N249-Q252 PolarHBondContact O-N 2.03Å; N249-Q252 PolarHBondContact OD1-N 3.48Å; N249-Q252 VanDerWaalsContact OD1-N 3.08Å; Q252-E255 PolarHBondContact O-N 2.88Å; Q252-M256 HydrophobicContact CG-CE 4.11Å; Q252-M256 HydrophobicContact CG-SD 4.29Å; Q252-M256 WeakPolarHBondContact O-CB 3.49Å; Q252-M256 VanDerWaalsContact O-CG 3.26Å; Q252-M256 WeakPolarHBondContact O-CG 3.31Å; Q252-M256 PolarHBondContact O-N 2.8Å
253	L	93.2	Very high	92	Very high	27 Å²	27	61.9 Å²	61.9	14%	0.141	32%	0.321	C	S	.	.	H	α-helix	trans	-62.5	-45.6	173.5	-70.6	168.4	0	0	0	112	I85 L87 N249 I250 R251 E255 M256 Q257	I85-L253 HydrophobicContact CG2-CB 3.98Å; L87-L253 HydrophobicContact CD2-CD1 3.78Å; N249-L253 PolarHBondContact O-N 3.4Å; N249-L253 VanDerWaalsContact O-N 3.09Å; I250-L253 PolarHBondContact O-N 3.07Å; R251-L253 VanDerWaalsContact C-N 3.27Å; R251-L253 PolarHBondContact O-N 3.05Å; L253-E255 PolarHBondContact O-N 3.32Å; L253-M256 HydrophobicContact CD2-CE 3.84Å; L253-M256 HydrophobicContact CG-CE 4.48Å; L253-M256 PolarHBondContact O-N 3.46Å; L253-Q257 WeakPolarHBondContact O-CB 3.31Å; L253-Q257 VanDerWaalsContact O-CG 3.27Å; L253-Q257 WeakPolarHBondContact O-CG 3.41Å; L253-Q257 PolarHBondContact O-N 2.82Å
254	A	93.9	Very high	91.8	Very high	10 Å²	10	64 Å²	64	8%	0.083	34%	0.337	C	S	.	.	H	α-helix	trans	-60.4	-43.6	176	0	0	0	0	0	112.5	I85 I250 R251 Q257 N258 A259 V262	I85-A254 HydrophobicContact CD1-CB 3.76Å; I85-A254 HydrophobicContact CG1-CB 4.21Å; I250-A254 PolarHBondContact O-N 3.02Å; R251-A254 WeakPolarHBondContact O-CB 3.34Å; R251-A254 PolarHBondContact O-N 2.69Å; R251-A254 VanDerWaalsContact O-N 3.14Å; A254-Q257 PolarHBondContact O-N 2.75Å; A254-N258 PolarHBondContact O-N 3.26Å; A254-A259 HydrophobicContact CB-CB 4.17Å; A254-A259 PolarHBondContact O-N 2.96Å; A254-V262 HydrophobicContact CB-CB 4.44Å; A254-V262 HydrophobicContact CB-CG1 3.91Å
255	E	92.5	Very high	91.6	Very high	113 Å²	113	65.4 Å²	65.4	53%	0.528	35%	0.35	S	S	.	.	H	α-helix	trans	-64.8	-45.4	178.1	-72	170	-176.9	0	0	111.9	R251 Q252 L253 Q257 N258	R251-E255 WeakPolarHBondContact CD-OE1 3.4Å; R251-E255 HydrophobicContact CG-CG 4.49Å; R251-E255 WeakPolarHBondContact CG-OE1 3.39Å; R251-E255 WeakPolarHBondContact O-CG 3.27Å; R251-E255 PolarHBondContact O-N 3.47Å; Q252-E255 PolarHBondContact O-N 2.88Å; L253-E255 PolarHBondContact O-N 3.32Å; E255-Q257 VanDerWaalsContact C-N 3.29Å; E255-Q257 PolarHBondContact O-N 2.87Å; E255-N258 PolarHBondContact O-N 2.78Å
256	M	93.8	Very high	92	Very high	120 Å²	120	66.6 Å²	66.6	59%	0.591	36%	0.357	S	S	*	.	H	α-helix	trans	-65.3	-31.5	177	-71	-175.6	-55	0	0	113	Q252 L253	Q252-M256 HydrophobicContact CG-CE 4.11Å; Q252-M256 HydrophobicContact CG-SD 4.29Å; Q252-M256 WeakPolarHBondContact O-CB 3.49Å; Q252-M256 VanDerWaalsContact O-CG 3.26Å; Q252-M256 WeakPolarHBondContact O-CG 3.31Å; Q252-M256 PolarHBondContact O-N 2.8Å; L253-M256 HydrophobicContact CD2-CE 3.84Å; L253-M256 HydrophobicContact CG-CE 4.48Å; L253-M256 PolarHBondContact O-N 3.46Å
257	Q	94.6	Very high	92.1	Very high	72 Å²	72	62.5 Å²	62.5	34%	0.336	35%	0.354	S	S	.	.	H	α-helix	trans	-86.6	-9.8	179	-68.6	171.5	33.7	0	0	113.2	S86 L253 A254 E255 A259	S86-Q257 PolarHBondContact O-NE2 3Å; L253-Q257 WeakPolarHBondContact O-CB 3.31Å; L253-Q257 VanDerWaalsContact O-CG 3.27Å; L253-Q257 WeakPolarHBondContact O-CG 3.41Å; L253-Q257 PolarHBondContact O-N 2.82Å; A254-Q257 PolarHBondContact O-N 2.75Å; E255-Q257 VanDerWaalsContact C-N 3.29Å; E255-Q257 PolarHBondContact O-N 2.87Å; Q257-A259 VanDerWaalsContact C-N 3.26Å; Q257-A259 PolarHBondContact O-N 3.26Å
258	N	93.3	Very high	92.2	Very high	144 Å²	144	65.4 Å²	65.4	77%	0.77	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	45	-167.5	-59.3	-82.9	0	0	0	112.1	A254 E255 A260	A254-N258 PolarHBondContact O-N 3.26Å; E255-N258 PolarHBondContact O-N 2.78Å; N258-A260 PolarHBondContact O-N 3.46Å
259	A	93.1	Very high	92.1	Very high	21 Å²	21	67.2 Å²	67.2	17%	0.174	37%	0.367	C	S	.	.			trans	-61	110.2	-173.5	0	0	0	0	0	112	I85 A254 Q257 V262	I85-A259 HydrophobicContact CG1-CB 4.33Å; A254-A259 HydrophobicContact CB-CB 4.17Å; A254-A259 PolarHBondContact O-N 2.96Å; Q257-A259 VanDerWaalsContact C-N 3.26Å; Q257-A259 PolarHBondContact O-N 3.26Å; A259-V262 HydrophobicContact CB-CB 4.13Å; A259-V262 HydrophobicContact CB-CG2 3.78Å; A259-V262 PolarHBondContact O-N 3.41Å
260	A	94.2	Very high	91.7	Very high	83 Å²	83	70.1 Å²	70.1	69%	0.686	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	142.2	175.9	0	0	0	0	0	111.1	A83 N258 V262	A83-A260 WeakPolarHBondContact CB-O 3.46Å; N258-A260 PolarHBondContact O-N 3.46Å; A260-V262 PolarHBondContact O-N 2.86Å
261	G	94.2	Very high	91.4	Very high	23 Å²	23	72.8 Å²	72.8	24%	0.237	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	10.2	-179	0	0	0	0	0	115.1	E79	E79-G261 WeakPolarHBondContact CB-O 3.47Å; E79-G261 PolarHBondContact N-O 2.99Å
262	V	96.3	Very high	91.4	Very high	25 Å²	25	75.9 Å²	75.9	15%	0.152	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.4	174.1	-174.9	0	0	0	0	110.5	I76 N77 F78 A83 I85 A254 A259 A260	I76-V262 HydrophobicContact CB-CG1 4.1Å; I76-V262 HydrophobicContact CD1-CG1 4.29Å; I76-V262 HydrophobicContact CG2-CG1 4.45Å; N77-V262 WeakPolarHBondContact O-CA 2.95Å; F78-V262 HydrophobicContact CD1-CG2 3.82Å; F78-V262 HydrophobicContact CE1-CG2 3.83Å; A83-V262 HydrophobicContact CB-CG2 4.19Å; I85-V262 HydrophobicContact CD1-CG1 4.31Å; I85-V262 HydrophobicContact CG1-CG2 4.34Å; A254-V262 HydrophobicContact CB-CB 4.44Å; A254-V262 HydrophobicContact CB-CG1 3.91Å; A259-V262 HydrophobicContact CB-CB 4.13Å; A259-V262 HydrophobicContact CB-CG2 3.78Å; A259-V262 PolarHBondContact O-N 3.41Å; A260-V262 PolarHBondContact O-N 2.86Å
263	K	93.9	Very high	91.5	Very high	104 Å²	104	73.1 Å²	73.1	45%	0.452	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	147.1	170.4	-77.1	-172.3	-178.8	138.8	0	112.1	I76 N77 E79 S265	I76-K263 CarbonylContact C-O 3.52Å; I76-K263 VanDerWaalsContact CA-O 3.28Å; I76-K263 WeakPolarHBondContact CA-O 3.48Å; N77-K263 HydrophobicContact CB-CB 4.44Å; N77-K263 PolarHBondContact N-O 3.5Å; N77-K263 PolarHBondContact O-N 2.84Å; E79-K263 VanDerWaalsContact CD-CE 3.46Å; E79-K263 HydrophobicContact CG-CD 4.5Å; E79-K263 HydrophobicContact CG-CG 4.33Å; E79-K263 VanDerWaalsContact OE1-CD 3.29Å; E79-K263 WeakPolarHBondContact OE1-CD 3.41Å; E79-K263 WeakPolarHBondContact OE1-CE 3.46Å; E79-K263 IonicContact OE1-NZ 2.72Å; E79-K263 PolarHBondContact OE1-NZ 3.09Å; E79-K263 WeakPolarHBondContact OE2-CD 3.36Å; E79-K263 WeakPolarHBondContact OE2-CE 3.33Å; E79-K263 IonicContact OE2-NZ 3.1Å; E79-K263 PolarHBondContact OE2-NZ 2.88Å; K263-S265 PolarHBondContact O-N 2.97Å
264	S	88.3	Confident	91.7	Very high	57 Å²	57	72.7 Å²	72.7	40%	0.399	42%	0.417	S	S	.	.	S	Bend	trans	-77.7	7.8	-179.1	56.6	0	0	0	0	114.7	P75 R251	P75-S264 CarbonylContact O-C 3.57Å; R251-S264 VanDerWaalsContact CZ-O 3.32Å; R251-S264 PolarHBondContact NE-O 2.89Å; R251-S264 VanDerWaalsContact NE-O 3.1Å; R251-S264 PolarHBondContact NH2-O 3Å
265	S	86.6	Confident	91.7	Very high	66 Å²	66	77.3 Å²	77.3	46%	0.462	44%	0.44	S	S	.	.			trans	-142	144.5	177.7	64.4	0	0	0	0	111.9	N77 K263	N77-S265 WeakPolarHBondContact CB-O 3.46Å; K263-S265 PolarHBondContact O-N 2.97Å
266	C	90.9	Very high	91.8	Very high	25 Å²	25	76 Å²	76	17%	0.169	44%	0.444	C	S	.	.			trans	-110.2	118.1	172.3	175.9	0	0	0	0	110.7	P75 W169 C237	P75-C266 HydrophobicContact CB-CB 3.6Å; P75-C266 HydrophobicContact CG-CB 3.7Å; W169-C266 HydrophobicContact CZ2-CB 4.28Å; C237-C266 HydrophobicContact CB-CB 3.58Å; C237-C266 WeakPolarHBondContact CB-SG 3.23Å; C237-C266 WeakPolarHBondContact SG-CB 3.35Å; C237-C266 CovalentContact SG-SG 2.02Å; C237-C266 PolarHBondContact SG-SG 3.44Å
267	S	88.6	Confident	91.8	Very high	77 Å²	77	80.1 Å²	80.1	54%	0.538	45%	0.454	S	S	.	.			trans	-142	142.4	165	59.4	0	0	0	0	109.2	N290	S267-N290 PolarHBondContact O-ND2 2.98Å
268	R	90.5	Very high	92	Very high	113 Å²	113	77.6 Å²	77.6	43%	0.426	44%	0.444	S	S	.	.			trans	-83.7	121.2	173.9	-174.1	177.9	-179.8	160.1	6.5	107.8	D166 G167 E168 W289	D166-R268 PolarHBondContact O-NH1 3.45Å; D166-R268 PolarHBondContact O-NH2 2.85Å; G167-R268 PolarHBondContact O-NH1 3.17Å; G167-R268 VanDerWaalsContact O-NH1 3.16Å; E168-R268 IonicContact OE1-NH1 3.08Å; R268-W289 HydrophobicContact CB-CH2 3.71Å; R268-W289 HydrophobicContact CB-CZ2 4.34Å; R268-W289 HydrophobicContact CB-CZ3 4.25Å; R268-W289 HydrophobicContact CG-CH2 3.9Å; R268-W289 HydrophobicContact CG-CZ3 3.9Å
269	M	88.8	Confident	92.2	Very high	94 Å²	94	71.7 Å²	71.7	46%	0.463	41%	0.414	S	S	.	.			trans	-65.9	135.6	173.3	-67.9	177.9	72	0	0	109.9	N290	M269-N290 WeakPolarHBondContact CB-OD1 3.26Å; M269-N290 HydrophobicContact CG-CB 4.27Å; M269-N290 WeakPolarHBondContact CG-OD1 3.17Å; M269-N290 PolarHBondContact N-OD1 3.01Å; M269-N290 HydrophobicContact SD-CB 3.9Å
270	S	82.9	Confident	92.4	Very high	131 Å²	131	76.1 Å²	76.1	92%	0.916	43%	0.429	S	S	*	.	S	Bend	trans	-80	-30.2	179.9	51.7	0	0	0	0	113.2
271	A	87.9	Confident	92.4	Very high	61 Å²	61	75.4 Å²	75.4	50%	0.504	41%	0.414	S	S	.	.	S	Bend	trans	-77.8	134	174.4	0	0	0	0	0	110.7	Q273	A271-Q273 PolarHBondContact O-NE2 3.07Å
272	K	91.3	Very high	92.4	Very high	129 Å²	129	82.2 Å²	82.2	56%	0.561	45%	0.445	S	S	*	.			trans	-67.6	143.8	166.8	-66.1	-178.9	178.6	-174.9	0	109.3	D287	K272-D287 WeakPolarHBondContact CB-OD1 3.19Å
273	Q	93	Very high	92.4	Very high	41 Å²	41	81.6 Å²	81.6	19%	0.192	44%	0.442	C	S	.	.	S	Bend	trans	-85	-26.3	-176.6	-56.9	-55.9	-64.2	0	0	110.8	A271 D275 S276 D287 F292	A271-Q273 PolarHBondContact O-NE2 3.07Å; Q273-D275 VanDerWaalsContact C-N 3.33Å; Q273-D275 PolarHBondContact O-N 3.44Å; Q273-S276 PolarHBondContact O-OG 3.21Å; Q273-D287 PolarHBondContact N-OD1 2.97Å; Q273-F292 HydrophobicContact CB-CB 3.89Å; Q273-F292 HydrophobicContact CB-CD1 4.39Å
274	C	96.3	Very high	92.5	Very high	18 Å²	18	80.9 Å²	80.9	12%	0.122	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-72.6	-18.6	174.8	-71.9	0	0	0	0	115	S276 Y277 C285 K286 D287	C274-S276 PolarHBondContact O-N 3.09Å; C274-S276 VanDerWaalsContact O-N 3.1Å; C274-Y277 PolarHBondContact O-N 3.18Å; C274-C285 WeakPolarHBondContact CA-SG 3.4Å; C274-C285 HydrophobicContact CB-CB 3.78Å; C274-C285 WeakPolarHBondContact CB-SG 3.38Å; C274-C285 WeakPolarHBondContact SG-CB 3.16Å; C274-C285 CovalentContact SG-SG 2.04Å; C274-C285 PolarHBondContact SG-SG 3.42Å; C274-K286 PolarHBondContact SG-N 3.05Å; C274-K286 VanDerWaalsContact SG-N 3.37Å; C274-D287 PolarHBondContact N-OD1 2.68Å
275	D	95.6	Very high	93	Very high	107 Å²	107	80 Å²	80	57%	0.572	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-63.2	-16.4	176.7	-67.3	-6.9	0	0	0	112.7	Q273 Y277	Q273-D275 VanDerWaalsContact C-N 3.33Å; Q273-D275 PolarHBondContact O-N 3.44Å; D275-Y277 VanDerWaalsContact C-N 3.31Å; D275-Y277 WeakPolarHBondContact O-CD2 3.46Å; D275-Y277 WeakPolarHBondContact O-CE2 3.02Å
276	S	93.4	Very high	93.4	Very high	85 Å²	85	81.5 Å²	81.5	59%	0.594	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-84.5	1.7	173.8	68.1	0	0	0	0	114.5	Q273 C274	Q273-S276 PolarHBondContact O-OG 3.21Å; C274-S276 PolarHBondContact O-N 3.09Å; C274-S276 VanDerWaalsContact O-N 3.1Å
277	Y	95	Very high	93.6	Very high	206 Å²	206	83.7 Å²	83.7	81%	0.808	45%	0.448	S	S	*	.			trans	46.8	52.9	-174.2	-56.3	-85.2	0	0	0	113.9	C274 D275 C279	C274-Y277 PolarHBondContact O-N 3.18Å; D275-Y277 VanDerWaalsContact C-N 3.31Å; D275-Y277 WeakPolarHBondContact O-CD2 3.46Å; D275-Y277 WeakPolarHBondContact O-CE2 3.02Å; Y277-C279 VanDerWaalsContact C-N 3.29Å; Y277-C279 PolarHBondContact O-N 3.06Å
278	P	96.8	Very high	93.9	Very high	20 Å²	20	80.5 Å²	80.5	13%	0.13	43%	0.427	C	S	.	.			trans	-73.4	-19.3	-170.6	30.7	-35.2	0	0	0	113.6	F292 T305	P278-F292 HydrophobicContact CB-CD1 3.8Å; P278-F292 HydrophobicContact CB-CD2 3.88Å; P278-F292 HydrophobicContact CB-CE1 3.72Å; P278-F292 HydrophobicContact CB-CE2 3.81Å; P278-F292 HydrophobicContact CB-CG 3.89Å; P278-F292 HydrophobicContact CB-CZ 3.72Å; P278-F292 HydrophobicContact CG-CB 3.76Å; P278-F292 HydrophobicContact CG-CD1 3.65Å; P278-F292 HydrophobicContact CG-CD2 3.63Å; P278-F292 HydrophobicContact CG-CE1 4.12Å; P278-F292 HydrophobicContact CG-CE2 4.11Å; P278-F292 HydrophobicContact CG-CG 3.39Å; P278-F292 HydrophobicContact CG-CZ 4.33Å; P278-T305 VanDerWaalsContact O-CB 3.23Å; P278-T305 WeakPolarHBondContact O-CB 3.05Å; P278-T305 VanDerWaalsContact O-CG2 3.26Å; P278-T305 WeakPolarHBondContact O-CG2 3.44Å
279	C	97.8	Very high	94.2	Very high	20 Å²	20	75.3 Å²	75.3	14%	0.135	41%	0.407	C	S	.	.			trans	-90.1	121.7	-175.3	-52.5	0	0	0	0	111.1	Y277 A283 C285 C294	Y277-C279 VanDerWaalsContact C-N 3.29Å; Y277-C279 PolarHBondContact O-N 3.06Å; C279-A283 HydrophobicContact CB-CB 4Å; C279-C285 HydrophobicContact CB-CB 4.3Å; C279-C285 WeakPolarHBondContact SG-CB 3.07Å; C279-C294 WeakPolarHBondContact CA-SG 3.39Å; C279-C294 HydrophobicContact CB-CB 3.73Å; C279-C294 WeakPolarHBondContact CB-SG 3.23Å; C279-C294 WeakPolarHBondContact SG-CA 3.46Å; C279-C294 WeakPolarHBondContact SG-CB 3.23Å; C279-C294 CovalentContact SG-SG 2.03Å; C279-C294 PolarHBondContact SG-SG 3.44Å
280	K	97.2	Very high	94.5	Very high	114 Å²	114	72.5 Å²	72.5	50%	0.496	39%	0.394	S	S	.	.			trans	-85.6	174.1	-179.1	-58.5	-176.7	-174.4	175.1	0	111.5	N282 A283 T305 E307	K280-N282 VanDerWaalsContact C-N 3.27Å; K280-N282 PolarHBondContact O-N 2.65Å; K280-A283 VanDerWaalsContact O-CB 3.25Å; K280-A283 WeakPolarHBondContact O-CB 3.2Å; K280-A283 PolarHBondContact O-N 3.19Å; K280-T305 WeakPolarHBondContact CB-O 3.47Å; K280-T305 PolarHBondContact N-O 2.98Å; K280-E307 HydrophobicContact CD-CB 3.93Å
281	N	96.1	Very high	95	Very high	67 Å²	67	68.9 Å²	68.9	36%	0.358	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	40.4	168.1	-57.3	-45.1	0	0	0	114	A283 T299 Y301 C306	N281-A283 PolarHBondContact O-N 3.48Å; N281-A283 VanDerWaalsContact O-N 3.16Å; N281-T299 WeakPolarHBondContact O-CG2 3.27Å; N281-Y301 HydrophobicContact CB-CD2 3.43Å; N281-Y301 VanDerWaalsContact CB-CD2 3.43Å; N281-Y301 HydrophobicContact CB-CE2 3.71Å; N281-Y301 HydrophobicContact CB-CG 3.91Å; N281-Y301 WeakPolarHBondContact ND2-CD1 3.46Å; N281-Y301 WeakPolarHBondContact ND2-CE1 3.47Å; N281-Y301 VanDerWaalsContact ND2-CG 3.32Å; N281-C306 PolarHBondContact ND2-O 2.78Å
282	N	94	Very high	95.4	Very high	166 Å²	166	67.9 Å²	67.9	89%	0.888	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	19.5	-179	-55.9	-26.4	0	0	0	115.2	K280	K280-N282 VanDerWaalsContact C-N 3.27Å; K280-N282 PolarHBondContact O-N 2.65Å
283	A	96.1	Very high	95.6	Very high	12 Å²	12	64.2 Å²	64.2	10%	0.099	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-64.8	142.7	174.6	0	0	0	0	0	112.4	C279 K280 N281 C285 D295 T299 C306	C279-A283 HydrophobicContact CB-CB 4Å; K280-A283 VanDerWaalsContact O-CB 3.25Å; K280-A283 WeakPolarHBondContact O-CB 3.2Å; K280-A283 PolarHBondContact O-N 3.19Å; N281-A283 PolarHBondContact O-N 3.48Å; N281-A283 VanDerWaalsContact O-N 3.16Å; A283-C285 PolarHBondContact O-N 3.17Å; A283-D295 WeakPolarHBondContact CB-O 3.35Å; A283-T299 HydrophobicContact CB-CG2 3.92Å; A283-C306 HydrophobicContact CB-CB 3.87Å; A283-C306 WeakPolarHBondContact CB-SG 3.24Å
284	V	96.2	Very high	95.8	Very high	90 Å²	90	63.1 Å²	63.1	55%	0.545	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.8	-178.7	179.3	0	0	0	0	109.8	K286 D295	V284-K286 HydrophobicContact CG1-CG 4.49Å; V284-D295 HydrophobicContact CB-CB 4.24Å; V284-D295 PolarHBondContact N-O 3.42Å; V284-D295 WeakPolarHBondContact O-CB 3.34Å; V284-D295 PolarHBondContact O-N 3.1Å
285	C	97.3	Very high	95.8	Very high	37 Å²	37	64.2 Å²	64.2	25%	0.25	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	133.8	172.8	-165.2	0	0	0	0	111.2	C274 C279 A283	C274-C285 WeakPolarHBondContact CA-SG 3.4Å; C274-C285 HydrophobicContact CB-CB 3.78Å; C274-C285 WeakPolarHBondContact CB-SG 3.38Å; C274-C285 WeakPolarHBondContact SG-CB 3.16Å; C274-C285 CovalentContact SG-SG 2.04Å; C274-C285 PolarHBondContact SG-SG 3.42Å; C279-C285 HydrophobicContact CB-CB 4.3Å; C279-C285 WeakPolarHBondContact SG-CB 3.07Å; A283-C285 PolarHBondContact O-N 3.17Å
286	K	96.4	Very high	95.8	Very high	99 Å²	99	60 Å²	60	43%	0.43	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.9	173.5	-60.7	169.9	-169	168.3	0	109.1	C274 V284 G288 I293 D295	C274-K286 PolarHBondContact SG-N 3.05Å; C274-K286 VanDerWaalsContact SG-N 3.37Å; V284-K286 HydrophobicContact CG1-CG 4.49Å; K286-G288 PolarHBondContact O-N 2.81Å; K286-I293 HydrophobicContact CB-CB 4.37Å; K286-I293 PolarHBondContact N-O 3.08Å; K286-I293 PolarHBondContact O-N 2.93Å; K286-D295 IonicContact NZ-OD2 3.47Å; K286-D295 PolarHBondContact NZ-OD2 2.96Å
287	D	94.8	Very high	95.8	Very high	70 Å²	70	57.7 Å²	57.7	37%	0.374	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	117.6	174.4	-73.1	-64.4	0	0	0	110	K272 Q273 C274	K272-D287 WeakPolarHBondContact CB-OD1 3.19Å; Q273-D287 PolarHBondContact N-OD1 2.97Å; C274-D287 PolarHBondContact N-OD1 2.68Å
288	G	95	Very high	95.7	Very high	10 Å²	10	48.8 Å²	48.8	10%	0.103	26%	0.264	C	S	.	.			trans	-95.5	-158.9	172.5	0	0	0	0	0	111.9	T105 E106 K286 N290 R291	T105-G288 VanDerWaalsContact OG1-C 3.31Å; T105-G288 PolarHBondContact OG1-O 2.9Å; E106-G288 VanDerWaalsContact OE1-CA 3.27Å; E106-G288 WeakPolarHBondContact OE1-CA 3.46Å; K286-G288 PolarHBondContact O-N 2.81Å; G288-N290 PolarHBondContact O-N 3.18Å; G288-R291 WeakPolarHBondContact CA-O 3.38Å; G288-R291 PolarHBondContact N-O 3.07Å
289	W	96.2	Very high	95.7	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.015	27%	0.266	C	S	.	.	S	Bend	trans	-85	107.7	174.4	-178.3	-97.9	0	0	0	110.8	N77 R103 T105 E106 V235 G236 C237 R268 R291	N77-W289 PolarHBondContact OD1-NE1 3.15Å; R103-W289 HydrophobicContact CG-CH2 3.63Å; R103-W289 HydrophobicContact CG-CZ2 4.27Å; R103-W289 HydrophobicContact CG-CZ3 4.1Å; T105-W289 HydrophobicContact CG2-CE3 4.1Å; T105-W289 HydrophobicContact CG2-CZ3 4.39Å; T105-W289 WeakPolarHBondContact OG1-CA 3.02Å; T105-W289 PolarHBondContact OG1-N 2.88Å; E106-W289 HydrophobicContact CG-CB 3.93Å; E106-W289 PolarHBondContact OE1-N 2.79Å; V235-W289 HydrophobicContact CG1-CB 4.16Å; G236-W289 VanDerWaalsContact CA-CD1 3.45Å; C237-W289 WeakPolarHBondContact SG-CZ2 3.48Å; R268-W289 HydrophobicContact CB-CH2 3.71Å; R268-W289 HydrophobicContact CB-CZ2 4.34Å; R268-W289 HydrophobicContact CB-CZ3 4.25Å; R268-W289 HydrophobicContact CG-CH2 3.9Å; R268-W289 HydrophobicContact CG-CZ3 3.9Å; W289-R291 PolarHBondContact O-N 3.01Å
290	N	94.6	Very high	95.6	Very high	35 Å²	35	48.3 Å²	48.3	19%	0.187	26%	0.261	C	S	.	.	S	Bend	trans	53.6	19.2	-175.8	-64	-17.3	0	0	0	114.9	S267 M269 G288	S267-N290 PolarHBondContact O-ND2 2.98Å; M269-N290 WeakPolarHBondContact CB-OD1 3.26Å; M269-N290 HydrophobicContact CG-CB 4.27Å; M269-N290 WeakPolarHBondContact CG-OD1 3.17Å; M269-N290 PolarHBondContact N-OD1 3.01Å; M269-N290 HydrophobicContact SD-CB 3.9Å; G288-N290 PolarHBondContact O-N 3.18Å
291	R	94.7	Very high	95.6	Very high	56 Å²	56	46.5 Å²	46.5	21%	0.211	25%	0.252	C	S	.	.	S	Bend	trans	-144.2	161.3	179.1	69.7	-179.2	-172.1	135.8	3.2	110.9	E106 G288 W289	E106-R291 VanDerWaalsContact CD-NH2 3.27Å; E106-R291 IonicContact OE1-CZ 3.86Å; E106-R291 IonicContact OE1-NE 2.76Å; E106-R291 PolarHBondContact OE1-NE 2.97Å; E106-R291 IonicContact OE1-NH2 3.83Å; E106-R291 PolarHBondContact OE1-NH2 2.9Å; E106-R291 VanDerWaalsContact OE1-NH2 3.1Å; E106-R291 IonicContact OE2-CZ 3.31Å; E106-R291 IonicContact OE2-NE 3.68Å; E106-R291 IonicContact OE2-NH2 3.01Å; E106-R291 PolarHBondContact OE2-NH2 3.48Å; G288-R291 WeakPolarHBondContact CA-O 3.38Å; G288-R291 PolarHBondContact N-O 3.07Å; W289-R291 PolarHBondContact O-N 3.01Å
292	F	95.4	Very high	95.5	Very high	40 Å²	40	45.8 Å²	45.8	18%	0.175	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	154.7	162.4	60.9	-95.5	0	0	0	110.1	Q273 P278 R304 T305	Q273-F292 HydrophobicContact CB-CB 3.89Å; Q273-F292 HydrophobicContact CB-CD1 4.39Å; P278-F292 HydrophobicContact CB-CD1 3.8Å; P278-F292 HydrophobicContact CB-CD2 3.88Å; P278-F292 HydrophobicContact CB-CE1 3.72Å; P278-F292 HydrophobicContact CB-CE2 3.81Å; P278-F292 HydrophobicContact CB-CG 3.89Å; P278-F292 HydrophobicContact CB-CZ 3.72Å; P278-F292 HydrophobicContact CG-CB 3.76Å; P278-F292 HydrophobicContact CG-CD1 3.65Å; P278-F292 HydrophobicContact CG-CD2 3.63Å; P278-F292 HydrophobicContact CG-CE1 4.12Å; P278-F292 HydrophobicContact CG-CE2 4.11Å; P278-F292 HydrophobicContact CG-CG 3.39Å; P278-F292 HydrophobicContact CG-CZ 4.33Å; F292-R304 HydrophobicContact CE2-CG 4.32Å; F292-T305 HydrophobicContact CE2-CG2 3.81Å; F292-T305 HydrophobicContact CZ-CG2 3.87Å
293	I	96.3	Very high	95.5	Very high	51 Å²	51	39.1 Å²	39.1	26%	0.262	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.4	173	-57.7	161.9	0	0	0	107	E106 K286	E106-I293 WeakPolarHBondContact OE2-CD1 3.44Å; K286-I293 HydrophobicContact CB-CB 4.37Å; K286-I293 PolarHBondContact N-O 3.08Å; K286-I293 PolarHBondContact O-N 2.93Å
294	C	96.6	Very high	95.4	Very high	19 Å²	19	47.4 Å²	47.4	13%	0.128	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	117.4	176.7	-60.7	0	0	0	0	110.4	C279 C296 R304 C306	C279-C294 WeakPolarHBondContact CA-SG 3.39Å; C279-C294 HydrophobicContact CB-CB 3.73Å; C279-C294 WeakPolarHBondContact CB-SG 3.23Å; C279-C294 WeakPolarHBondContact SG-CA 3.46Å; C279-C294 WeakPolarHBondContact SG-CB 3.23Å; C279-C294 CovalentContact SG-SG 2.03Å; C279-C294 PolarHBondContact SG-SG 3.44Å; C294-C296 PolarHBondContact O-N 3.39Å; C294-R304 PolarHBondContact SG-O 3.11Å; C294-R304 VanDerWaalsContact SG-O 3.4Å; C294-C306 VanDerWaalsContact CB-SG 3.52Å
295	D	95.6	Very high	95.4	Very high	40 Å²	40	44.5 Å²	44.5	21%	0.214	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	92.1	171.4	-168.4	-16	0	0	0	109.2	A283 V284 K286 T297	A283-D295 WeakPolarHBondContact CB-O 3.35Å; V284-D295 HydrophobicContact CB-CB 4.24Å; V284-D295 PolarHBondContact N-O 3.42Å; V284-D295 WeakPolarHBondContact O-CB 3.34Å; V284-D295 PolarHBondContact O-N 3.1Å; K286-D295 IonicContact NZ-OD2 3.47Å; K286-D295 PolarHBondContact NZ-OD2 2.96Å; D295-T297 PolarHBondContact O-N 2.73Å; D295-T297 VanDerWaalsContact OD1-CB 3.31Å; D295-T297 WeakPolarHBondContact OD1-CB 3.33Å; D295-T297 WeakPolarHBondContact OD1-CG2 3.17Å; D295-T297 PolarHBondContact OD1-N 2.85Å; D295-T297 VanDerWaalsContact OD1-N 3.12Å; D295-T297 PolarHBondContact OD1-OG1 2.89Å
296	C	96.3	Very high	95.4	Very high	19 Å²	19	42.8 Å²	42.8	13%	0.128	21%	0.213	C	C	.	.			trans	-77	-3.5	178.3	-44.3	0	0	0	0	113.2	C294 G298 T299 Y301 G303 C306	C294-C296 PolarHBondContact O-N 3.39Å; C296-G298 PolarHBondContact O-N 3.03Å; C296-T299 WeakPolarHBondContact O-CB 3.29Å; C296-T299 PolarHBondContact O-N 3.34Å; C296-T299 PolarHBondContact O-OG1 2.77Å; C296-Y301 VanDerWaalsContact CB-O 3.23Å; C296-Y301 WeakPolarHBondContact CB-O 3.47Å; C296-G303 PolarHBondContact SG-O 2.81Å; C296-C306 WeakPolarHBondContact CA-SG 3.29Å; C296-C306 HydrophobicContact CB-CB 3.79Å; C296-C306 WeakPolarHBondContact CB-SG 3.5Å; C296-C306 WeakPolarHBondContact SG-CA 3.21Å; C296-C306 WeakPolarHBondContact SG-CB 3.15Å; C296-C306 CovalentContact SG-SG 2.03Å; C296-C306 PolarHBondContact SG-SG 3.09Å
297	T	93.8	Very high	95.4	Very high	37 Å²	37	41.6 Å²	41.6	23%	0.227	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	126.7	-174.5	64.3	0	0	0	0	110.6	D295 R407	D295-T297 PolarHBondContact O-N 2.73Å; D295-T297 VanDerWaalsContact OD1-CB 3.31Å; D295-T297 WeakPolarHBondContact OD1-CB 3.33Å; D295-T297 WeakPolarHBondContact OD1-CG2 3.17Å; D295-T297 PolarHBondContact OD1-N 2.85Å; D295-T297 VanDerWaalsContact OD1-N 3.12Å; D295-T297 PolarHBondContact OD1-OG1 2.89Å; T297-R407 PolarHBondContact O-NH2 3.06Å; T297-R407 PolarHBondContact OG1-NE 2.92Å; T297-R407 PolarHBondContact OG1-NH2 3.04Å
298	G	93.2	Very high	95.4	Very high	19 Å²	19	43.9 Å²	43.9	20%	0.196	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	-6.3	-177.1	0	0	0	0	0	116.2	C296 R339 T405	C296-G298 PolarHBondContact O-N 3.03Å; G298-R339 VanDerWaalsContact O-CZ 3.27Å; G298-R339 PolarHBondContact O-NE 3.36Å; G298-R339 PolarHBondContact O-NH2 2.82Å; G298-T405 VanDerWaalsContact CA-CG2 3.46Å; G298-T405 WeakPolarHBondContact CA-OG1 3.33Å
299	T	95.6	Very high	95.5	Very high	28 Å²	28	49.7 Å²	49.7	17%	0.172	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-25.2	177.8	64.6	0	0	0	0	113.8	N281 A283 C296 Y301	N281-T299 WeakPolarHBondContact O-CG2 3.27Å; A283-T299 HydrophobicContact CB-CG2 3.92Å; C296-T299 WeakPolarHBondContact O-CB 3.29Å; C296-T299 PolarHBondContact O-N 3.34Å; C296-T299 PolarHBondContact O-OG1 2.77Å; T299-Y301 VanDerWaalsContact C-N 3.29Å; T299-Y301 WeakPolarHBondContact O-CD2 3.44Å; T299-Y301 PolarHBondContact OG1-N 3.07Å; T299-Y301 PolarHBondContact OG1-O 3.3Å
300	G	95.4	Very high	95.5	Very high	2 Å²	2	49.6 Å²	49.6	2%	0.021	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	11.2	-166.7	0	0	0	0	0	114	A310 Q463	G300-A310 VanDerWaalsContact O-CB 3.29Å; G300-A310 WeakPolarHBondContact O-CB 3.28Å; G300-A310 PolarHBondContact O-N 2.98Å; G300-Q463 VanDerWaalsContact CA-OE1 3.24Å; G300-Q463 PolarHBondContact O-NE2 2.91Å
301	Y	97.1	Very high	95.6	Very high	76 Å²	76	48.2 Å²	48.2	30%	0.298	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	168.5	174.9	-64.3	-95.3	0	0	0	111.3	N281 C296 T299 C306 R308 E309	N281-Y301 HydrophobicContact CB-CD2 3.43Å; N281-Y301 VanDerWaalsContact CB-CD2 3.43Å; N281-Y301 HydrophobicContact CB-CE2 3.71Å; N281-Y301 HydrophobicContact CB-CG 3.91Å; N281-Y301 WeakPolarHBondContact ND2-CD1 3.46Å; N281-Y301 WeakPolarHBondContact ND2-CE1 3.47Å; N281-Y301 VanDerWaalsContact ND2-CG 3.32Å; C296-Y301 VanDerWaalsContact CB-O 3.23Å; C296-Y301 WeakPolarHBondContact CB-O 3.47Å; T299-Y301 VanDerWaalsContact C-N 3.29Å; T299-Y301 WeakPolarHBondContact O-CD2 3.44Å; T299-Y301 PolarHBondContact OG1-N 3.07Å; T299-Y301 PolarHBondContact OG1-O 3.3Å; Y301-C306 VanDerWaalsContact CB-O 3.23Å; Y301-C306 WeakPolarHBondContact CB-O 3.42Å; Y301-R308 CarbonylContact C-O 3.12Å; Y301-R308 WeakPolarHBondContact CA-O 3.4Å; Y301-R308 WeakPolarHBondContact CB-O 3.45Å; Y301-R308 WeakPolarHBondContact CD1-O 3.24Å; Y301-E309 HydrophobicContact CD1-CB 4.19Å; Y301-E309 HydrophobicContact CE1-CB 4.02Å; Y301-E309 HydrophobicContact CE1-CG 4.29Å
302	W	95.7	Very high	95.7	Very high	52 Å²	52	46.8 Å²	46.8	20%	0.197	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	-176.2	177	70.7	-77.5	0	0	0	111.1	C306 E307 R308 E309 L471 D474	W302-C306 CarbonylContact O-C 3.53Å; W302-C306 VanDerWaalsContact O-CA 3.31Å; W302-C306 WeakPolarHBondContact O-CA 3.26Å; W302-E307 PolarHBondContact O-N 2.82Å; W302-R308 VanDerWaalsContact CD1-O 3.32Å; W302-R308 HydrophobicContact CD2-CB 4.21Å; W302-R308 HydrophobicContact CG-CB 4.22Å; W302-R308 VanDerWaalsContact CZ2-NH2 3.31Å; W302-R308 PolarHBondContact N-O 3.36Å; W302-R308 WeakPolarHBondContact O-CB 3.21Å; W302-R308 PolarHBondContact O-N 2.73Å; W302-E309 PolarHBondContact NE1-O 2.93Å; W302-L471 HydrophobicContact CB-CD2 3.67Å; W302-L471 HydrophobicContact CD2-CD2 3.54Å; W302-L471 HydrophobicContact CE3-CD2 3.96Å; W302-L471 HydrophobicContact CG-CD2 3.44Å; W302-L471 VanDerWaalsContact CG-CD2 3.44Å; W302-D474 HydrophobicContact CZ2-CB 4.08Å
303	G	94	Very high	95.8	Very high	25 Å²	25	44.9 Å²	44.9	26%	0.258	22%	0.219	S	C	.	.	S	Bend	trans	94.2	174.4	-171.2	0	0	0	0	0	111.9	C296 T305 C306	C296-G303 PolarHBondContact SG-O 2.81Å; G303-T305 PolarHBondContact O-N 2.9Å; G303-C306 PolarHBondContact O-N 2.98Å
304	R	93.3	Very high	95.9	Very high	186 Å²	186	42.5 Å²	42.5	70%	0.702	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.5	-169.5	-178.5	176.9	175.2	177.4	1.4	113.2	F292 C294 E307	F292-R304 HydrophobicContact CE2-CG 4.32Å; C294-R304 PolarHBondContact SG-O 3.11Å; C294-R304 VanDerWaalsContact SG-O 3.4Å; R304-E307 PolarHBondContact N-OE2 2.71Å
305	T	96.6	Very high	95.9	Very high	30 Å²	30	41.7 Å²	41.7	18%	0.184	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	16	178.8	54.6	0	0	0	0	112.4	P278 K280 F292 G303 E307	P278-T305 VanDerWaalsContact O-CB 3.23Å; P278-T305 WeakPolarHBondContact O-CB 3.05Å; P278-T305 VanDerWaalsContact O-CG2 3.26Å; P278-T305 WeakPolarHBondContact O-CG2 3.44Å; K280-T305 WeakPolarHBondContact CB-O 3.47Å; K280-T305 PolarHBondContact N-O 2.98Å; F292-T305 HydrophobicContact CE2-CG2 3.81Å; F292-T305 HydrophobicContact CZ-CG2 3.87Å; G303-T305 PolarHBondContact O-N 2.9Å; T305-E307 VanDerWaalsContact C-OE2 3.24Å; T305-E307 WeakPolarHBondContact CA-OE2 3.19Å; T305-E307 WeakPolarHBondContact CB-OE2 3.39Å; T305-E307 PolarHBondContact N-OE2 2.65Å; T305-E307 PolarHBondContact O-N 2.82Å; T305-E307 PolarHBondContact OG1-OE2 2.95Å
306	C	97.1	Very high	95.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	55.8	36.5	-173.1	-43.7	0	0	0	0	112.9	N281 A283 C294 C296 Y301 W302 G303	N281-C306 PolarHBondContact ND2-O 2.78Å; A283-C306 HydrophobicContact CB-CB 3.87Å; A283-C306 WeakPolarHBondContact CB-SG 3.24Å; C294-C306 VanDerWaalsContact CB-SG 3.52Å; C296-C306 WeakPolarHBondContact CA-SG 3.29Å; C296-C306 HydrophobicContact CB-CB 3.79Å; C296-C306 WeakPolarHBondContact CB-SG 3.5Å; C296-C306 WeakPolarHBondContact SG-CA 3.21Å; C296-C306 WeakPolarHBondContact SG-CB 3.15Å; C296-C306 CovalentContact SG-SG 2.03Å; C296-C306 PolarHBondContact SG-SG 3.09Å; Y301-C306 VanDerWaalsContact CB-O 3.23Å; Y301-C306 WeakPolarHBondContact CB-O 3.42Å; W302-C306 CarbonylContact O-C 3.53Å; W302-C306 VanDerWaalsContact O-CA 3.31Å; W302-C306 WeakPolarHBondContact O-CA 3.26Å; G303-C306 PolarHBondContact O-N 2.98Å
307	E	96.3	Very high	95.5	Very high	75 Å²	75	41.2 Å²	41.2	35%	0.35	20%	0.2	S	C	.	.			trans	-88.4	-17.1	-174.8	72.7	-69	165	0	0	114.7	K280 W302 R304 T305	K280-E307 HydrophobicContact CD-CB 3.93Å; W302-E307 PolarHBondContact O-N 2.82Å; R304-E307 PolarHBondContact N-OE2 2.71Å; T305-E307 VanDerWaalsContact C-OE2 3.24Å; T305-E307 WeakPolarHBondContact CA-OE2 3.19Å; T305-E307 WeakPolarHBondContact CB-OE2 3.39Å; T305-E307 PolarHBondContact N-OE2 2.65Å; T305-E307 PolarHBondContact O-N 2.82Å; T305-E307 PolarHBondContact OG1-OE2 2.95Å
308	R	95.6	Very high	95.4	Very high	117 Å²	117	43.2 Å²	43.2	44%	0.442	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.2	-177.4	-58.1	175.8	66.5	170.3	-1.5	109.4	Y301 W302	Y301-R308 CarbonylContact C-O 3.12Å; Y301-R308 WeakPolarHBondContact CA-O 3.4Å; Y301-R308 WeakPolarHBondContact CB-O 3.45Å; Y301-R308 WeakPolarHBondContact CD1-O 3.24Å; W302-R308 VanDerWaalsContact CD1-O 3.32Å; W302-R308 HydrophobicContact CD2-CB 4.21Å; W302-R308 HydrophobicContact CG-CB 4.22Å; W302-R308 VanDerWaalsContact CZ2-NH2 3.31Å; W302-R308 PolarHBondContact N-O 3.36Å; W302-R308 WeakPolarHBondContact O-CB 3.21Å; W302-R308 PolarHBondContact O-N 2.73Å
309	E	95.4	Very high	95.4	Very high	132 Å²	132	43 Å²	43	62%	0.617	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	134.7	174.3	-168.4	178.1	179.3	0	0	110.2	Y301 W302	Y301-E309 HydrophobicContact CD1-CB 4.19Å; Y301-E309 HydrophobicContact CE1-CB 4.02Å; Y301-E309 HydrophobicContact CE1-CG 4.29Å; W302-E309 PolarHBondContact NE1-O 2.93Å
310	A	96.4	Very high	95.5	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.017	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-86.4	140	179.7	0	0	0	0	0	111	G300 I312 Q463 S464	G300-A310 VanDerWaalsContact O-CB 3.29Å; G300-A310 WeakPolarHBondContact O-CB 3.28Å; G300-A310 PolarHBondContact O-N 2.98Å; A310-I312 PolarHBondContact O-N 2.72Å; A310-Q463 HydrophobicContact CB-CG 4.03Å; A310-Q463 PolarHBondContact O-NE2 3.32Å; A310-S464 WeakPolarHBondContact CB-OG 3.33Å
311	S	96.8	Very high	95.6	Very high	7 Å²	7	43.1 Å²	43.1	5%	0.049	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-72.4	131.3	-171	-63.3	0	0	0	0	112.5	I473 D474 K477	S311-I473 WeakPolarHBondContact O-CG2 3.44Å; S311-D474 WeakPolarHBondContact CB-OD1 3.24Å; S311-D474 PolarHBondContact N-OD1 2.84Å; S311-D474 PolarHBondContact N-OD2 2.79Å; S311-D474 PolarHBondContact OG-OD1 3.23Å; S311-K477 WeakPolarHBondContact OG-CD 3.45Å; S311-K477 PolarHBondContact OG-NZ 2.65Å
312	I	97.9	Very high	95.6	Very high	25 Å²	25	40.8 Å²	40.8	13%	0.128	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	136.6	174.8	-62.1	168.1	0	0	0	108.9	A310 W403 H461 Q463 F490 G491 L492	A310-I312 PolarHBondContact O-N 2.72Å; I312-W403 HydrophobicContact CD1-CZ2 4Å; I312-W403 HydrophobicContact CG1-CH2 4.3Å; I312-W403 HydrophobicContact CG1-CZ2 4.09Å; I312-W403 HydrophobicContact CG2-CH2 4.19Å; I312-W403 HydrophobicContact CG2-CZ2 4.31Å; I312-H461 HydrophobicContact CG2-CB 4.08Å; I312-Q463 HydrophobicContact CG1-CB 4.31Å; I312-Q463 HydrophobicContact CG1-CG 3.9Å; I312-F490 CarbonylContact O-C 3.57Å; I312-F490 WeakPolarHBondContact O-CA 3.44Å; I312-G491 PolarHBondContact O-N 2.91Å; I312-L492 HydrophobicContact CD1-CB 4.16Å; I312-L492 HydrophobicContact CG2-CB 4.36Å; I312-L492 HydrophobicContact CG2-CD1 4.44Å
313	L	97.5	Very high	95.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.4	177.9	-170.1	53.7	0	0	0	110.2	Y315 M321 H461 L462 I473 L486 A488 F490	L313-Y315 HydrophobicContact CB-CE2 4.16Å; L313-Y315 HydrophobicContact CD2-CE2 4.48Å; L313-Y315 WeakPolarHBondContact CD2-OH 3.46Å; L313-Y315 HydrophobicContact CG-CE2 3.97Å; L313-Y315 WeakPolarHBondContact O-CD2 3.29Å; L313-Y315 VanDerWaalsContact O-CE2 3.32Å; L313-Y315 WeakPolarHBondContact O-CE2 3.27Å; L313-M321 HydrophobicContact CD2-CB 3.96Å; L313-M321 HydrophobicContact CD2-CG 4.31Å; L313-M321 HydrophobicContact CD2-SD 3.69Å; L313-H461 CarbonylContact O-C 3.57Å; L313-H461 WeakPolarHBondContact O-CA 3.47Å; L313-L462 PolarHBondContact N-O 3.32Å; L313-L462 PolarHBondContact O-N 2.75Å; L313-I473 HydrophobicContact CB-CD1 4.47Å; L313-I473 HydrophobicContact CB-CG2 4.05Å; L313-I473 HydrophobicContact CD2-CG1 4.36Å; L313-I473 HydrophobicContact CD2-CG2 4.31Å; L313-L486 HydrophobicContact CD1-CD1 4.1Å; L313-L486 HydrophobicContact CD2-CD1 3.79Å; L313-A488 HydrophobicContact CD1-CB 3.59Å; L313-A488 HydrophobicContact CD2-CB 4.1Å; L313-A488 HydrophobicContact CG-CB 3.69Å; L313-F490 HydrophobicContact CD1-CD1 3.86Å; L313-F490 HydrophobicContact CD1-CE1 4.02Å; L313-F490 HydrophobicContact CD1-CG 4.24Å
314	S	97.6	Very high	95.9	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.014	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	138.2	-170.9	-61.2	0	0	0	0	112.5	H461 A488 R489 G491	S314-H461 PolarHBondContact OG-CE1 3.1Å; S314-H461 VanDerWaalsContact OG-CE1 3.26Å; S314-H461 PolarHBondContact OG-ND1 2.9Å; S314-A488 WeakPolarHBondContact O-CB 3.48Å; S314-R489 VanDerWaalsContact CB-O 3.31Å; S314-R489 WeakPolarHBondContact CB-O 3.43Å; S314-R489 PolarHBondContact N-O 3.19Å; S314-R489 PolarHBondContact O-N 2.88Å; S314-R489 VanDerWaalsContact O-N 3.1Å; S314-G491 PolarHBondContact OG-O 2.84Å
315	Y	97.4	Very high	95.9	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134.3	-174.6	-55.7	-99.9	0	0	0	110.7	L313 M319 T442 F458 I459 G460 L462 A488 I495	L313-Y315 HydrophobicContact CB-CE2 4.16Å; L313-Y315 HydrophobicContact CD2-CE2 4.48Å; L313-Y315 WeakPolarHBondContact CD2-OH 3.46Å; L313-Y315 HydrophobicContact CG-CE2 3.97Å; L313-Y315 WeakPolarHBondContact O-CD2 3.29Å; L313-Y315 VanDerWaalsContact O-CE2 3.32Å; L313-Y315 WeakPolarHBondContact O-CE2 3.27Å; Y315-M319 HydrophobicContact CD1-CB 4.21Å; Y315-T442 PolarHBondContact OH-OG1 2.76Å; Y315-F458 WeakPolarHBondContact CB-O 3.3Å; Y315-F458 AromaticContact CD2-CD1 3.8Å; Y315-F458 HydrophobicContact CD2-CD1 3.8Å; Y315-F458 AromaticContact CD2-CE1 3.94Å; Y315-F458 HydrophobicContact CD2-CE1 3.94Å; Y315-F458 AromaticContact CG-CD1 3.94Å; Y315-F458 HydrophobicContact CG-CD1 3.94Å; Y315-I459 WeakPolarHBondContact O-CA 3.29Å; Y315-G460 PolarHBondContact N-O 3.39Å; Y315-G460 PolarHBondContact O-N 2.74Å; Y315-L462 HydrophobicContact CD2-CG 4.36Å; Y315-L462 HydrophobicContact CE2-CB 3.95Å; Y315-L462 HydrophobicContact CE2-CD1 3.8Å; Y315-L462 HydrophobicContact CE2-CG 3.7Å; Y315-A488 HydrophobicContact CD1-CB 3.8Å; Y315-A488 HydrophobicContact CE1-CB 3.57Å; Y315-A488 HydrophobicContact CG-CB 4.4Å; Y315-I495 WeakPolarHBondContact O-CD1 3.36Å
316	D	91.8	Very high	95.6	Very high	37 Å²	37	34.3 Å²	34.3	20%	0.198	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	15.4	178	63.6	10.1	0	0	0	113.4	S318 M319 I495 A497	D316-S318 PolarHBondContact O-N 2.98Å; D316-S318 WeakPolarHBondContact OD1-CA 3.38Å; D316-S318 WeakPolarHBondContact OD1-CB 3.45Å; D316-S318 PolarHBondContact OD1-N 3.31Å; D316-S318 PolarHBondContact OD1-OG 2.81Å; D316-S318 PolarHBondContact OD2-OG 2.88Å; D316-M319 WeakPolarHBondContact OD1-CG 3.22Å; D316-M319 PolarHBondContact OD1-N 3.28Å; D316-M319 WeakPolarHBondContact OD2-CE 3.32Å; D316-I495 HydrophobicContact CB-CG2 3.89Å; D316-A497 HydrophobicContact CB-CB 4.19Å; D316-A497 WeakPolarHBondContact O-CB 3.48Å
317	G	91.9	Very high	95.1	Very high	12 Å²	12	41.4 Å²	41.4	12%	0.124	21%	0.213	C	C	.	.	S	Bend	trans	83.3	-12.5	-175.7	0	0	0	0	0	114.7	S457 F458	G317-S457 WeakPolarHBondContact O-CB 3.45Å; G317-S457 PolarHBondContact O-OG 3.2Å; G317-F458 WeakPolarHBondContact CA-O 3.03Å; G317-F458 PolarHBondContact N-O 3.43Å
318	S	89.9	Confident	94.8	Very high	80 Å²	80	40.7 Å²	40.7	56%	0.559	21%	0.214	S	C	*	.	S	Bend	trans	-101.1	-9.4	170.5	80	0	0	0	0	113.3	D316 I444	D316-S318 PolarHBondContact O-N 2.98Å; D316-S318 WeakPolarHBondContact OD1-CA 3.38Å; D316-S318 WeakPolarHBondContact OD1-CB 3.45Å; D316-S318 PolarHBondContact OD1-N 3.31Å; D316-S318 PolarHBondContact OD1-OG 2.81Å; D316-S318 PolarHBondContact OD2-OG 2.88Å; S318-I444 VanDerWaalsContact C-CD1 3.43Å; S318-I444 WeakPolarHBondContact O-CD1 3.4Å
319	M	94.2	Very high	94.5	Very high	13 Å²	13	37.4 Å²	37.4	6%	0.064	20%	0.204	C	C	.	.			trans	-101.5	151.8	-171.2	-72.2	172.8	-177.3	0	0	114	Y315 D316 G443 A488 R489	Y315-M319 HydrophobicContact CD1-CB 4.21Å; D316-M319 WeakPolarHBondContact OD1-CG 3.22Å; D316-M319 PolarHBondContact OD1-N 3.28Å; D316-M319 WeakPolarHBondContact OD2-CE 3.32Å; M319-G443 CarbonylContact O-C 3.56Å; M319-G443 WeakPolarHBondContact O-CA 3.33Å; M319-A488 HydrophobicContact CB-CB 4.08Å; M319-R489 HydrophobicContact CE-CG 3.77Å; M319-R489 HydrophobicContact SD-CG 4.09Å
320	Y	96.8	Very high	94.3	Very high	34 Å²	34	32.3 Å²	32.3	13%	0.133	18%	0.18	C	C	.	.			trans	-141.2	164.5	171.3	68.2	-93.7	0	0	0	112.8	K322 T442 T446 E485 K487 A488	Y320-K322 HydrophobicContact CD2-CB 3.89Å; Y320-K322 HydrophobicContact CE2-CB 3.99Å; Y320-T442 VanDerWaalsContact CA-O 3.27Å; Y320-T442 WeakPolarHBondContact CA-O 3.49Å; Y320-T442 WeakPolarHBondContact CB-O 3.46Å; Y320-T446 HydrophobicContact CD1-CG2 3.97Å; Y320-T446 HydrophobicContact CD2-CG2 4.11Å; Y320-T446 HydrophobicContact CE1-CG2 4.06Å; Y320-T446 HydrophobicContact CE2-CG2 4.22Å; Y320-T446 HydrophobicContact CG-CG2 3.99Å; Y320-E485 HydrophobicContact CE2-CB 3.98Å; Y320-E485 PolarHBondContact OH-OE2 3.25Å; Y320-E485 VanDerWaalsContact OH-OE2 3.14Å; Y320-K487 HydrophobicContact CD1-CB 4.32Å; Y320-K487 HydrophobicContact CD1-CD 4.04Å; Y320-K487 HydrophobicContact CD1-CG 4.2Å; Y320-K487 HydrophobicContact CE1-CB 4.4Å; Y320-K487 HydrophobicContact CE1-CD 3.48Å; Y320-K487 VanDerWaalsContact CE1-CD 3.48Å; Y320-K487 HydrophobicContact CE1-CG 3.78Å; Y320-K487 PolarHBondContact O-N 3.07Å; Y320-A488 PolarHBondContact O-N 3.33Å
321	M	98.1	Very high	94.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.2	156.6	178.3	-170.2	76.6	0	0	107.3	L313 V323 E441 T442 L465 I473 E485 L486	L313-M321 HydrophobicContact CD2-CB 3.96Å; L313-M321 HydrophobicContact CD2-CG 4.31Å; L313-M321 HydrophobicContact CD2-SD 3.69Å; M321-V323 HydrophobicContact CE-CG2 4.45Å; M321-E441 WeakPolarHBondContact O-CA 3.28Å; M321-T442 WeakPolarHBondContact CB-OG1 3.36Å; M321-T442 HydrophobicContact CE-CG2 4.28Å; M321-T442 PolarHBondContact N-O 3.05Å; M321-T442 VanDerWaalsContact N-O 3.07Å; M321-T442 PolarHBondContact O-N 3.26Å; M321-T442 PolarHBondContact O-OG1 2.89Å; M321-L465 HydrophobicContact CE-CD2 3.84Å; M321-I473 HydrophobicContact CE-CG1 3.92Å; M321-I473 HydrophobicContact SD-CG1 4.06Å; M321-E485 WeakPolarHBondContact CA-O 3.41Å; M321-L486 HydrophobicContact CB-CD1 3.63Å; M321-L486 HydrophobicContact CG-CD1 3.72Å; M321-L486 HydrophobicContact SD-CD1 4.39Å
322	K	98.1	Very high	94.2	Very high	26 Å²	26	33 Å²	33	11%	0.113	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	114.4	-179.2	171.3	178.5	-161.9	171.4	0	109.1	Y320 I324 N439 I440 E441 T446 E485	Y320-K322 HydrophobicContact CD2-CB 3.89Å; Y320-K322 HydrophobicContact CE2-CB 3.99Å; K322-I324 HydrophobicContact CD-CG1 4.33Å; K322-I324 HydrophobicContact CG-CG1 4.03Å; K322-N439 VanDerWaalsContact CE-CG 3.42Å; K322-N439 VanDerWaalsContact CE-OD1 3.22Å; K322-N439 WeakPolarHBondContact CE-OD1 3.22Å; K322-N439 HydrophobicContact CG-CB 4.14Å; K322-I440 WeakPolarHBondContact CA-O 3.47Å; K322-E441 HydrophobicContact CB-CG 4.23Å; K322-E441 HydrophobicContact CD-CG 4.46Å; K322-E441 HydrophobicContact CG-CG 3.97Å; K322-T446 WeakPolarHBondContact CD-OG1 3.04Å; K322-T446 WeakPolarHBondContact CE-OG1 2.99Å; K322-T446 PolarHBondContact NZ-OG1 3.12Å; K322-E485 HydrophobicContact CB-CB 4.26Å; K322-E485 PolarHBondContact N-O 2.88Å; K322-E485 PolarHBondContact O-N 2.87Å
323	V	98.2	Very high	94.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	121.2	169.1	-177.3	0	0	0	0	107.2	M321 M325 N439 I440 Y472 Y483	M321-V323 HydrophobicContact CE-CG2 4.45Å; V323-M325 HydrophobicContact CG1-SD 4.24Å; V323-N439 CarbonylContact O-C 3.56Å; V323-N439 WeakPolarHBondContact O-CA 3.16Å; V323-N439 WeakPolarHBondContact O-CB 3.45Å; V323-I440 HydrophobicContact CB-CB 4.3Å; V323-I440 PolarHBondContact N-O 2.89Å; V323-I440 PolarHBondContact O-N 2.86Å; V323-Y472 HydrophobicContact CB-CD1 4.35Å; V323-Y472 HydrophobicContact CG1-CD1 3.75Å; V323-Y472 HydrophobicContact CG1-CE1 3.58Å; V323-Y472 HydrophobicContact CG2-CD1 3.76Å; V323-Y472 HydrophobicContact CG2-CE1 4.43Å; V323-Y472 HydrophobicContact CG2-CG 3.92Å; V323-Y483 HydrophobicContact CG1-CD2 3.86Å; V323-Y483 HydrophobicContact CG1-CE2 3.96Å
324	I	97	Very high	94.2	Very high	47 Å²	47	31.8 Å²	31.8	24%	0.241	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	118.2	177.7	-57.4	176.3	0	0	0	107.3	K322 P326 Y483 E485	K322-I324 HydrophobicContact CD-CG1 4.33Å; K322-I324 HydrophobicContact CG-CG1 4.03Å; I324-P326 WeakPolarHBondContact O-CD 3.31Å; I324-Y483 PolarHBondContact N-O 3.1Å; I324-Y483 VanDerWaalsContact O-CB 3.31Å; I324-Y483 WeakPolarHBondContact O-CB 3.48Å; I324-Y483 WeakPolarHBondContact O-CD2 3.22Å; I324-E485 HydrophobicContact CD1-CG 4.12Å; I324-E485 WeakPolarHBondContact CD1-OE1 3.2Å
325	M	93.7	Very high	94.2	Very high	18 Å²	18	32.9 Å²	32.9	9%	0.089	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	130	-177.9	-59.5	-54.9	-57.6	0	0	110	V323 M327 M329 F437 H438 I440	V323-M325 HydrophobicContact CG1-SD 4.24Å; M325-M327 WeakPolarHBondContact CB-O 3.34Å; M325-M327 PolarHBondContact O-N 2.58Å; M325-M327 VanDerWaalsContact O-N 3.12Å; M325-M329 HydrophobicContact CB-CG 3.83Å; M325-M329 HydrophobicContact CE-CE 4.38Å; M325-M329 HydrophobicContact CE-CG 3.72Å; M325-M329 HydrophobicContact CE-SD 3.85Å; M325-M329 HydrophobicContact CG-CG 3.64Å; M325-M329 HydrophobicContact SD-CG 4.38Å; M325-F437 HydrophobicContact CG-CD2 4.11Å; M325-F437 HydrophobicContact CG-CE2 3.93Å; M325-F437 HydrophobicContact SD-CE2 4.3Å; M325-H438 PolarHBondContact N-O 3.05Å; M325-I440 HydrophobicContact SD-CD1 4.27Å
326	P	89.9	Confident	94.2	Very high	92 Å²	92	33 Å²	33	60%	0.597	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.8	-25.3	-180	-28.3	36.1	0	0	0	114.2	I324 Y483	I324-P326 WeakPolarHBondContact O-CD 3.31Å; P326-Y483 HydrophobicContact CG-CD1 3.58Å; P326-Y483 HydrophobicContact CG-CD2 4.25Å; P326-Y483 HydrophobicContact CG-CE1 3.57Å; P326-Y483 HydrophobicContact CG-CE2 4.22Å; P326-Y483 HydrophobicContact CG-CG 3.93Å
327	M	86.5	Confident	94.6	Very high	150 Å²	150	31.9 Å²	31.9	74%	0.739	18%	0.178	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	155.8	170.9	-61.2	-175	71.3	0	0	108.6	M325 M329	M325-M327 WeakPolarHBondContact CB-O 3.34Å; M325-M327 PolarHBondContact O-N 2.58Å; M325-M327 VanDerWaalsContact O-N 3.12Å; M327-M329 PolarHBondContact O-N 2.86Å
328	V	89.4	Confident	94.9	Very high	60 Å²	60	31.5 Å²	31.5	36%	0.364	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	131	171.5	62.7	0	0	0	0	109.6	E436	V328-E436 HydrophobicContact CG2-CG 3.78Å
329	M	90.7	Very high	95.3	Very high	47 Å²	47	29.4 Å²	29.4	23%	0.232	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	134.4	-179.8	-63	-60.1	-67.3	0	0	109.6	M229 M325 M327 E436 F437	M229-M329 HydrophobicContact CE-CE 3.78Å; M325-M329 HydrophobicContact CB-CG 3.83Å; M325-M329 HydrophobicContact CE-CE 4.38Å; M325-M329 HydrophobicContact CE-CG 3.72Å; M325-M329 HydrophobicContact CE-SD 3.85Å; M325-M329 HydrophobicContact CG-CG 3.64Å; M325-M329 HydrophobicContact SD-CG 4.38Å; M327-M329 PolarHBondContact O-N 2.86Å; M329-E436 WeakPolarHBondContact O-CA 3.41Å; M329-F437 HydrophobicContact CB-CD1 3.87Å; M329-F437 HydrophobicContact CB-CD2 4.03Å; M329-F437 HydrophobicContact CB-CE1 3.54Å; M329-F437 HydrophobicContact CB-CE2 3.7Å; M329-F437 HydrophobicContact CB-CG 4.11Å; M329-F437 HydrophobicContact CB-CZ 3.45Å; M329-F437 VanDerWaalsContact CB-CZ 3.45Å; M329-F437 HydrophobicContact CG-CD2 4.37Å; M329-F437 HydrophobicContact CG-CE1 4.46Å; M329-F437 HydrophobicContact CG-CE2 3.82Å; M329-F437 HydrophobicContact CG-CZ 3.87Å; M329-F437 PolarHBondContact N-O 2.86Å; M329-F437 PolarHBondContact O-N 2.98Å
330	H	91.4	Very high	95.5	Very high	25 Å²	25	28.8 Å²	28.8	12%	0.116	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	127	168.2	-61.8	-73	0	0	0	108.9	N129 T223 M229 R434 L435 E436	N129-H330 PolarHBondContact ND2-NE2 3.25Å; N129-H330 PolarHBondContact OD1-CD2 2.91Å; N129-H330 VanDerWaalsContact OD1-CD2 3.29Å; N129-H330 PolarHBondContact OD1-NE2 3.1Å; T223-H330 HydrophobicContact CG2-CB 3.51Å; T223-H330 WeakPolarHBondContact CG2-O 3.28Å; M229-H330 WeakPolarHBondContact CE-O 3.32Å; H330-R434 HydrophobicContact CB-CG 4.09Å; H330-L435 VanDerWaalsContact CA-O 3.29Å; H330-L435 WeakPolarHBondContact CA-O 3.49Å; H330-E436 IonicContact CE1-OE2 3.47Å; H330-E436 PolarHBondContact CE1-OE2 2.76Å
331	T	94.8	Very high	95.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	144.8	-176.6	53	0	0	0	0	112.1	M229 E334 R410 R434 L435 F437	M229-T331 HydrophobicContact CE-CG2 3.83Å; T331-E334 WeakPolarHBondContact CB-OE1 3.09Å; T331-E334 PolarHBondContact OG1-OE1 2.85Å; T331-R410 PolarHBondContact O-NH2 2.97Å; T331-R434 CarbonylContact O-C 3.42Å; T331-R434 WeakPolarHBondContact O-CA 3.28Å; T331-L435 PolarHBondContact N-O 2.82Å; T331-L435 PolarHBondContact O-N 2.81Å; T331-F437 HydrophobicContact CG2-CE1 4.1Å
332	E	95.2	Very high	95.5	Very high	23 Å²	23	28 Å²	28	11%	0.107	15%	0.148	C	C	.	.	S	Bend	trans	-114.3	1.4	167.8	-68.1	-169.3	-151.2	0	0	112.5	T223 G412 T433 R434	T223-E332 PolarHBondContact OG1-OE1 3.08Å; E332-G412 WeakPolarHBondContact O-CA 3.45Å; E332-G412 PolarHBondContact O-N 2.9Å; E332-T433 WeakPolarHBondContact OE2-CB 3.44Å; E332-T433 PolarHBondContact OE2-OG1 2.78Å; E332-R434 HydrophobicContact CG-CB 3.98Å; E332-R434 IonicContact OE1-NE 4Å; E332-R434 IonicContact OE1-NH2 3.28Å
333	A	97	Very high	95.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	133.9	176.8	0	0	0	0	0	109.8	W226 L230 R410	W226-A333 HydrophobicContact CB-CB 3.75Å; W226-A333 HydrophobicContact CD2-CB 3.91Å; W226-A333 HydrophobicContact CE3-CB 4.5Å; W226-A333 HydrophobicContact CG-CB 3.55Å; L230-A333 HydrophobicContact CD1-CB 4.06Å; L230-A333 HydrophobicContact CD2-CB 4.47Å; L230-A333 HydrophobicContact CG-CB 4.34Å; A333-R410 VanDerWaalsContact CA-O 3.27Å; A333-R410 WeakPolarHBondContact CA-O 3.37Å
334	E	98.1	Very high	94.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	143	-177.9	-52.6	77.3	-166.1	0	0	109.6	T331 V336 L361 R410 R411 F467 N468	T331-E334 WeakPolarHBondContact CB-OE1 3.09Å; T331-E334 PolarHBondContact OG1-OE1 2.85Å; E334-V336 HydrophobicContact CB-CG2 4.33Å; E334-L361 HydrophobicContact CB-CD1 4.28Å; E334-L361 HydrophobicContact CG-CD1 4.34Å; E334-R410 PolarHBondContact N-O 3.35Å; E334-R410 PolarHBondContact O-N 2.85Å; E334-R410 IonicContact OE1-CZ 3.09Å; E334-R410 IonicContact OE1-NE 2.82Å; E334-R410 IonicContact OE1-NH2 3.98Å; E334-R410 PolarHBondContact OE1-NH2 3.24Å; E334-R410 VanDerWaalsContact OE2-CB 3.3Å; E334-R410 WeakPolarHBondContact OE2-CB 3.35Å; E334-R410 WeakPolarHBondContact OE2-CD 3.29Å; E334-R410 WeakPolarHBondContact OE2-CG 3.22Å; E334-R410 IonicContact OE2-CZ 3.36Å; E334-R410 IonicContact OE2-NE 3.76Å; E334-R410 PolarHBondContact OE2-NE 3.45Å; E334-R410 IonicContact OE2-NH2 3.17Å; E334-R410 PolarHBondContact OE2-NH2 2.86Å; E334-R411 PolarHBondContact O-NH1 2.8Å; E334-F467 HydrophobicContact CB-CZ 4.43Å; E334-F467 HydrophobicContact CG-CE1 4.46Å; E334-F467 HydrophobicContact CG-CZ 4.2Å; E334-N468 VanDerWaalsContact CA-OD1 3.27Å; E334-N468 WeakPolarHBondContact CA-OD1 3.48Å
335	D	97.8	Very high	94.6	Very high	25 Å²	25	26.6 Å²	26.6	13%	0.134	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	112.9	168	-69.8	-38.6	0	0	0	108.1	L230 Y232 V408 R411 F467 N468	L230-D335 HydrophobicContact CD2-CB 4.28Å; Y232-D335 PolarHBondContact OH-OD2 2.99Å; D335-V408 WeakPolarHBondContact CA-O 3.26Å; D335-R411 IonicContact OD1-CZ 3.08Å; D335-R411 IonicContact OD1-NH1 3.8Å; D335-R411 PolarHBondContact OD1-NH1 2.95Å; D335-R411 IonicContact OD1-NH2 2.74Å; D335-R411 PolarHBondContact OD1-NH2 2.66Å; D335-R411 IonicContact OD2-CZ 3.77Å; D335-R411 IonicContact OD2-NH1 3.91Å; D335-R411 IonicContact OD2-NH2 3.16Å; D335-R411 PolarHBondContact OD2-NH2 3.02Å; D335-F467 WeakPolarHBondContact O-CA 3.31Å; D335-N468 PolarHBondContact N-OD1 3.41Å; D335-N468 PolarHBondContact O-N 2.61Å
336	V	98.6	Very high	94.6	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.018	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130	-176.2	-169.8	0	0	0	0	108.7	E334 L361 L363 R407 V408 L465 M466 F467	E334-V336 HydrophobicContact CB-CG2 4.33Å; V336-L361 HydrophobicContact CG2-CD2 4.36Å; V336-L363 HydrophobicContact CG1-CD1 4.45Å; V336-R407 CarbonylContact O-C 3.56Å; V336-R407 WeakPolarHBondContact O-CA 3.31Å; V336-V408 HydrophobicContact CB-CB 4.32Å; V336-V408 PolarHBondContact N-O 2.89Å; V336-V408 PolarHBondContact O-N 3.13Å; V336-L465 HydrophobicContact CG1-CD1 4.46Å; V336-M466 CarbonylContact C-O 3.56Å; V336-M466 WeakPolarHBondContact CA-O 3.36Å; V336-F467 HydrophobicContact CB-CD2 4.33Å; V336-F467 HydrophobicContact CG1-CD2 3.97Å; V336-F467 HydrophobicContact CG2-CD2 3.52Å; V336-F467 HydrophobicContact CG2-CE2 3.55Å; V336-F467 HydrophobicContact CG2-CG 4.2Å; V336-F467 HydrophobicContact CG2-CZ 4.23Å
337	S	98.6	Very high	94.9	Very high	14 Å²	14	23.2 Å²	23.2	10%	0.098	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	151.2	169.8	62.1	0	0	0	0	111.9	V406 S464 L465 M466	S337-V406 WeakPolarHBondContact CA-O 3.32Å; S337-V406 VanDerWaalsContact CB-O 3.26Å; S337-V406 WeakPolarHBondContact CB-O 3.24Å; S337-S464 VanDerWaalsContact O-O 3.14Å; S337-L465 WeakPolarHBondContact O-CA 3.32Å; S337-M466 PolarHBondContact N-O 2.94Å; S337-M466 PolarHBondContact O-N 2.87Å
338	F	98.8	Very high	95.4	Very high	3 Å²	3	16.1 Å²	16.1	1%	0.013	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	170.9	175.8	58.4	-88.6	0	0	0	109.4	F340 L349 V350 L363 V406 L462 L465	F338-F340 HydrophobicContact CD2-CB 4.35Å; F338-F340 HydrophobicContact CE2-CB 4.22Å; F338-F340 AromaticContact CE2-CD1 3.94Å; F338-F340 HydrophobicContact CE2-CD1 3.94Å; F338-F340 HydrophobicContact CE2-CG 4.47Å; F338-L349 HydrophobicContact CE2-CB 3.77Å; F338-L349 HydrophobicContact CE2-CD1 3.91Å; F338-L349 HydrophobicContact CE2-CD2 4.4Å; F338-L349 HydrophobicContact CE2-CG 4.24Å; F338-L349 HydrophobicContact CZ-CB 3.59Å; F338-L349 HydrophobicContact CZ-CD1 3.83Å; F338-L349 HydrophobicContact CZ-CG 4.28Å; F338-V350 HydrophobicContact CD1-CG2 3.64Å; F338-V350 HydrophobicContact CE1-CB 4.32Å; F338-V350 HydrophobicContact CE1-CG2 3.44Å; F338-V350 VanDerWaalsContact CE1-CG2 3.44Å; F338-V350 HydrophobicContact CG-CG2 4.28Å; F338-V350 HydrophobicContact CZ-CG2 3.96Å; F338-L363 HydrophobicContact CE1-CB 4.36Å; F338-L363 HydrophobicContact CE1-CD1 3.7Å; F338-L363 HydrophobicContact CZ-CB 4.25Å; F338-L363 HydrophobicContact CZ-CD1 4.32Å; F338-V406 HydrophobicContact CD1-CB 4.35Å; F338-V406 HydrophobicContact CD2-CB 4.43Å; F338-V406 HydrophobicContact CD2-CG2 4.48Å; F338-V406 HydrophobicContact CE1-CB 3.93Å; F338-V406 HydrophobicContact CE1-CG1 3.99Å; F338-V406 HydrophobicContact CE1-CG2 4.49Å; F338-V406 HydrophobicContact CE2-CB 4Å; F338-V406 HydrophobicContact CE2-CG2 3.79Å; F338-V406 HydrophobicContact CZ-CB 3.73Å; F338-V406 HydrophobicContact CZ-CG1 3.96Å; F338-V406 HydrophobicContact CZ-CG2 3.79Å; F338-V406 PolarHBondContact N-O 2.96Å; F338-V406 VanDerWaalsContact N-O 3.09Å; F338-V406 PolarHBondContact O-N 2.9Å; F338-L462 HydrophobicContact CD2-CD2 4.15Å; F338-L462 HydrophobicContact CE2-CD2 4.34Å; F338-L465 HydrophobicContact CB-CB 4.36Å; F338-L465 HydrophobicContact CB-CD1 4Å; F338-L465 HydrophobicContact CD1-CD1 4.01Å; F338-L465 HydrophobicContact CG-CD1 4.33Å
339	R	98.6	Very high	95.8	Very high	36 Å²	36	13.3 Å²	13.3	14%	0.136	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	147.1	166.8	-51.2	174.7	76.5	-151	11	109.7	G298 W403 H404 T405 L462 Q463	G298-R339 VanDerWaalsContact O-CZ 3.27Å; G298-R339 PolarHBondContact O-NE 3.36Å; G298-R339 PolarHBondContact O-NH2 2.82Å; R339-W403 HydrophobicContact CB-CE3 3.71Å; R339-W403 HydrophobicContact CB-CZ3 4.01Å; R339-H404 CarbonylContact C-O 3.57Å; R339-H404 WeakPolarHBondContact CA-O 3.05Å; R339-H404 WeakPolarHBondContact CB-O 3.2Å; R339-T405 HydrophobicContact CG-CG2 4.4Å; R339-L462 CarbonylContact O-C 3.55Å; R339-L462 WeakPolarHBondContact O-CA 3.09Å; R339-Q463 HydrophobicContact CB-CB 4.31Å; R339-Q463 PolarHBondContact N-O 3.12Å; R339-Q463 PolarHBondContact O-N 3.23Å
340	F	98.8	Very high	96.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	158.6	173.8	76	-86.4	0	0	0	111.8	F338 L349 L365 V370 L398 W403 H404 V406 F458 H461 L462	F338-F340 HydrophobicContact CD2-CB 4.35Å; F338-F340 HydrophobicContact CE2-CB 4.22Å; F338-F340 AromaticContact CE2-CD1 3.94Å; F338-F340 HydrophobicContact CE2-CD1 3.94Å; F338-F340 HydrophobicContact CE2-CG 4.47Å; F340-L349 HydrophobicContact CB-CD2 3.98Å; F340-L349 HydrophobicContact CD1-CD1 4.23Å; F340-L349 HydrophobicContact CD1-CD2 4.42Å; F340-L349 HydrophobicContact CD2-CD2 4.14Å; F340-L349 HydrophobicContact CE1-CD1 4.37Å; F340-L349 HydrophobicContact CG-CD2 3.92Å; F340-L365 HydrophobicContact CD2-CD1 4.32Å; F340-L365 HydrophobicContact CE2-CD1 4.02Å; F340-L365 HydrophobicContact CE2-CD2 3.77Å; F340-L365 HydrophobicContact CE2-CG 4.36Å; F340-L365 HydrophobicContact CZ-CD2 3.8Å; F340-V370 HydrophobicContact CE1-CG2 3.62Å; F340-V370 HydrophobicContact CZ-CG2 3.78Å; F340-L398 HydrophobicContact CE2-CB 4.36Å; F340-L398 WeakPolarHBondContact CE2-O 3.38Å; F340-L398 HydrophobicContact CZ-CB 3.95Å; F340-L398 HydrophobicContact CZ-CD1 4.19Å; F340-W403 WeakPolarHBondContact O-CA 3.32Å; F340-H404 HydrophobicContact CD1-CB 4.11Å; F340-H404 HydrophobicContact CE1-CB 3.55Å; F340-H404 HydrophobicContact CE2-CB 4.32Å; F340-H404 HydrophobicContact CZ-CB 3.67Å; F340-H404 AromaticContact CZ-CD2 3.92Å; F340-H404 PolarHBondContact N-O 2.84Å; F340-H404 PolarHBondContact O-N 2.79Å; F340-V406 HydrophobicContact CD1-CG2 3.72Å; F340-V406 HydrophobicContact CE1-CG2 3.57Å; F340-F458 HydrophobicContact CB-CZ 4.4Å; F340-H461 CarbonylContact C-O 3.57Å; F340-H461 VanDerWaalsContact CA-O 3.24Å; F340-H461 WeakPolarHBondContact CA-O 3.37Å; F340-L462 HydrophobicContact CB-CD2 3.55Å
341	M	98.1	Very high	96.5	Very high	17 Å²	17	10 Å²	10	8%	0.084	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	128.4	173.5	173.2	-174.8	-80.4	0	0	108.6	N401 E402 W403 G460 H461 L492	M341-N401 WeakPolarHBondContact CE-O 3.37Å; M341-N401 WeakPolarHBondContact CG-O 3.45Å; M341-E402 WeakPolarHBondContact CA-O 3.38Å; M341-E402 WeakPolarHBondContact CB-O 3.43Å; M341-W403 HydrophobicContact CB-CD2 4.1Å; M341-W403 HydrophobicContact CB-CE3 3.98Å; M341-W403 HydrophobicContact CB-CZ3 4.2Å; M341-W403 HydrophobicContact CE-CD2 4.08Å; M341-W403 HydrophobicContact CE-CG 3.77Å; M341-G460 CarbonylContact O-C 3.49Å; M341-G460 VanDerWaalsContact O-CA 3.29Å; M341-G460 WeakPolarHBondContact O-CA 3.37Å; M341-H461 HydrophobicContact CB-CB 4.41Å; M341-H461 PolarHBondContact N-O 2.91Å; M341-H461 PolarHBondContact O-N 2.04Å; M341-L492 HydrophobicContact SD-CD1 4.4Å
342	S	95.7	Very high	96.7	Very high	2 Å²	2	10 Å²	10	1%	0.014	5%	0.048	C	C	.	.			trans	-158.2	156.7	179	-170.7	0	0	0	0	112.7	R344 N399 N401 I459	S342-R344 PolarHBondContact OG-N 3.22Å; S342-N399 CarbonylContact O-C 3.57Å; S342-N399 VanDerWaalsContact O-C 3.24Å; S342-N399 VanDerWaalsContact O-CA 3.27Å; S342-N399 WeakPolarHBondContact O-CA 3.37Å; S342-N401 WeakPolarHBondContact O-CA 3.33Å; S342-N401 PolarHBondContact O-N 3.28Å; S342-I459 WeakPolarHBondContact CB-O 3.08Å; S342-I459 PolarHBondContact OG-O 2.85Å
343	Q	90.5	Very high	96.7	Very high	38 Å²	38	8.9 Å²	8.9	18%	0.178	4%	0.043	C	C	.	.	S	Bend	trans	-93.6	-14	166.6	-69.4	178.1	25.4	0	0	112.8	N399 N401 F523 N583	Q343-N399 PolarHBondContact O-ND2 3.12Å; Q343-N399 VanDerWaalsContact O-ND2 3.09Å; Q343-N401 HydrophobicContact CG-CB 3.68Å; Q343-N401 WeakPolarHBondContact CG-OD1 3.31Å; Q343-F523 HydrophobicContact CB-CE1 4.45Å; Q343-F523 HydrophobicContact CB-CE2 4.05Å; Q343-F523 HydrophobicContact CB-CZ 4.01Å; Q343-N583 PolarHBondContact OE1-OD1 2.85Å
344	R	92.3	Very high	96.5	Very high	1 Å²	1	9 Å²	9	0%	0.004	4%	0.044	C	C	.	.			trans	-85.7	139.3	-176.2	-70	-169.7	63.3	-138	-5.4	111.9	S342 Y346 N399 S456 S457 I459 F523 D650 G653	S342-R344 PolarHBondContact OG-N 3.22Å; R344-Y346 WeakPolarHBondContact CB-O 3.42Å; R344-Y346 PolarHBondContact NH1-O 2.87Å; R344-Y346 PolarHBondContact NH2-O 3.12Å; R344-Y346 PolarHBondContact O-N 2.61Å; R344-N399 VanDerWaalsContact C-CB 3.5Å; R344-N399 WeakPolarHBondContact O-CB 3.41Å; R344-S456 PolarHBondContact NH1-OG 2.91Å; R344-S456 PolarHBondContact NH2-OG 3.01Å; R344-S456 VanDerWaalsContact NH2-OG 3.11Å; R344-S457 PolarHBondContact NH1-O 3.34Å; R344-I459 HydrophobicContact CG-CB 4.45Å; R344-F523 HydrophobicContact CG-CD1 3.84Å; R344-F523 HydrophobicContact CG-CE1 4.3Å; R344-D650 IonicContact CZ-OD1 2.66Å; R344-D650 IonicContact CZ-OD2 2.65Å; R344-D650 VanDerWaalsContact CZ-OD2 3.28Å; R344-D650 IonicContact NE-OD1 3.53Å; R344-D650 IonicContact NE-OD2 3.49Å; R344-D650 PolarHBondContact NE-OD2 2.9Å; R344-D650 IonicContact NH2-OD1 2.74Å; R344-D650 PolarHBondContact NH2-OD1 2.81Å; R344-D650 IonicContact NH2-OD2 3.62Å; R344-D650 PolarHBondContact NH2-OD2 3.46Å; R344-G653 PolarHBondContact NH2-O 3.18Å
345	A	91.8	Very high	96.2	Very high	3 Å²	3	13.8 Å²	13.8	3%	0.025	6%	0.062	C	C	.	.	S	Bend	trans	-76.5	-7.5	174.3	0	0	0	0	0	113.4	L365 G367 G368 H521	A345-L365 CarbonylContact O-C 3.49Å; A345-G367 PolarHBondContact O-N 2.84Å; A345-G367 VanDerWaalsContact O-N 3.07Å; A345-G368 PolarHBondContact O-N 3Å; A345-H521 HydrophobicContact CB-CB 3.88Å; A345-H521 WeakPolarHBondContact CB-ND1 3.38Å
346	Y	94.3	Very high	95.8	Very high	38 Å²	38	15.1 Å²	15.1	15%	0.149	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	146.4	-175.2	-62.3	-80	0	0	0	111.9	R344 L365 D366 H521 G653	R344-Y346 WeakPolarHBondContact CB-O 3.42Å; R344-Y346 PolarHBondContact NH1-O 2.87Å; R344-Y346 PolarHBondContact NH2-O 3.12Å; R344-Y346 PolarHBondContact O-N 2.61Å; Y346-L365 WeakPolarHBondContact CA-O 3.46Å; Y346-D366 WeakPolarHBondContact CE1-OD1 3.15Å; Y346-H521 HydrophobicContact CE2-CB 4.07Å; Y346-G653 VanDerWaalsContact CD2-CA 3.47Å
347	G	95.8	Very high	95.3	Very high	2 Å²	2	15.3 Å²	15.3	2%	0.021	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.4	146.2	176.6	0	0	0	0	0	114.1	L349 E364 L365 S456	G347-L349 PolarHBondContact O-N 3.18Å; G347-E364 CarbonylContact O-C 3.39Å; G347-E364 WeakPolarHBondContact O-CA 3.35Å; G347-L365 PolarHBondContact N-O 3.21Å; G347-L365 PolarHBondContact O-N 2.95Å; G347-S456 CarbonylContact C-O 3.57Å; G347-S456 WeakPolarHBondContact CA-O 2.99Å
348	L	97.6	Very high	94.8	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	113.4	174	176.3	66.4	0	0	0	112.4	A351 R362 M445 P455 S456 F458	L348-A351 HydrophobicContact CD1-CB 3.95Å; L348-R362 HydrophobicContact CD1-CG 3.85Å; L348-M445 HydrophobicContact CD2-CB 3.78Å; L348-P455 HydrophobicContact CB-CB 4.44Å; L348-P455 HydrophobicContact CB-CG 4.01Å; L348-P455 HydrophobicContact CD1-CG 3.88Å; L348-P455 HydrophobicContact CG-CG 4.4Å; L348-S456 PolarHBondContact N-O 3.16Å; L348-F458 WeakPolarHBondContact O-CB 3.06Å
349	L	98.4	Very high	94.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-59.4	174.7	-56.2	170	0	0	0	110.4	F338 F340 G347 L363 L365 V370 T442 F458 L462	F338-L349 HydrophobicContact CE2-CB 3.77Å; F338-L349 HydrophobicContact CE2-CD1 3.91Å; F338-L349 HydrophobicContact CE2-CD2 4.4Å; F338-L349 HydrophobicContact CE2-CG 4.24Å; F338-L349 HydrophobicContact CZ-CB 3.59Å; F338-L349 HydrophobicContact CZ-CD1 3.83Å; F338-L349 HydrophobicContact CZ-CG 4.28Å; F340-L349 HydrophobicContact CB-CD2 3.98Å; F340-L349 HydrophobicContact CD1-CD1 4.23Å; F340-L349 HydrophobicContact CD1-CD2 4.42Å; F340-L349 HydrophobicContact CD2-CD2 4.14Å; F340-L349 HydrophobicContact CE1-CD1 4.37Å; F340-L349 HydrophobicContact CG-CD2 3.92Å; G347-L349 PolarHBondContact O-N 3.18Å; L349-L363 WeakPolarHBondContact CA-O 3.4Å; L349-L363 HydrophobicContact CB-CB 4.4Å; L349-L363 WeakPolarHBondContact CB-O 3.5Å; L349-L363 PolarHBondContact N-O 3.02Å; L349-L365 HydrophobicContact CD1-CD2 4.45Å; L349-L365 HydrophobicContact CD1-CG 4.16Å; L349-L365 HydrophobicContact CD2-CD1 4.24Å; L349-L365 HydrophobicContact CD2-CG 4.21Å; L349-L365 HydrophobicContact CG-CG 4.34Å; L349-V370 HydrophobicContact CD1-CG1 4.38Å; L349-V370 HydrophobicContact CD1-CG2 3.99Å; L349-T442 WeakPolarHBondContact O-CB 3.42Å; L349-T442 VanDerWaalsContact O-CG2 3.3Å; L349-T442 WeakPolarHBondContact O-CG2 3.38Å; L349-F458 HydrophobicContact CD2-CD2 3.84Å; L349-F458 HydrophobicContact CD2-CE2 3.56Å; L349-F458 HydrophobicContact CD2-CZ 4.12Å; L349-L462 HydrophobicContact CD2-CD2 4.17Å; L349-L462 WeakPolarHBondContact O-CD1 3.31Å
350	V	98.4	Very high	94.2	Very high	2 Å²	2	14 Å²	14	1%	0.012	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	139.4	-178.3	-173.5	0	0	0	0	109.8	F338 R362 L363 I440 E441 T442 L465	F338-V350 HydrophobicContact CD1-CG2 3.64Å; F338-V350 HydrophobicContact CE1-CB 4.32Å; F338-V350 HydrophobicContact CE1-CG2 3.44Å; F338-V350 VanDerWaalsContact CE1-CG2 3.44Å; F338-V350 HydrophobicContact CG-CG2 4.28Å; F338-V350 HydrophobicContact CZ-CG2 3.96Å; V350-R362 CarbonylContact O-C 3.56Å; V350-R362 WeakPolarHBondContact O-CA 3.29Å; V350-L363 HydrophobicContact CB-CB 4.5Å; V350-L363 PolarHBondContact N-O 3.42Å; V350-L363 VanDerWaalsContact N-O 3.11Å; V350-L363 PolarHBondContact O-N 2.93Å; V350-I440 HydrophobicContact CG1-CG2 4.08Å; V350-E441 CarbonylContact C-O 3.49Å; V350-E441 WeakPolarHBondContact CA-O 3.19Å; V350-T442 HydrophobicContact CB-CG2 4.45Å; V350-T442 HydrophobicContact CG1-CG2 4.44Å; V350-T442 HydrophobicContact CG2-CG2 4.08Å; V350-L465 HydrophobicContact CG1-CD1 4.28Å; V350-L465 HydrophobicContact CG2-CD1 3.72Å
351	A	97.9	Very high	94.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	143	166.4	0	0	0	0	0	110.9	L348 T353 L361 R362 I440 E441 M445	L348-A351 HydrophobicContact CD1-CB 3.95Å; A351-T353 HydrophobicContact CB-CG2 4.26Å; A351-L361 CarbonylContact C-O 3.58Å; A351-L361 WeakPolarHBondContact CA-O 3.47Å; A351-R362 HydrophobicContact CB-CB 4.46Å; A351-R362 HydrophobicContact CB-CG 3.98Å; A351-I440 CarbonylContact O-C 3.31Å; A351-I440 WeakPolarHBondContact O-CA 3.42Å; A351-E441 PolarHBondContact N-O 3.26Å; A351-E441 PolarHBondContact O-N 2.97Å; A351-M445 HydrophobicContact CB-SD 4.45Å
352	T	98	Very high	94.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	142.9	151.9	69	0	0	0	0	109.3	T360 L361 L435 F437 N439 F467	T352-T360 VanDerWaalsContact O-CB 3.24Å; T352-T360 WeakPolarHBondContact O-CB 3.43Å; T352-T360 PolarHBondContact O-OG1 3.24Å; T352-L361 HydrophobicContact CG2-CB 4.43Å; T352-L361 PolarHBondContact N-O 3.16Å; T352-L361 PolarHBondContact OG1-N 3.42Å; T352-L435 HydrophobicContact CG2-CD2 4.35Å; T352-F437 HydrophobicContact CG2-CB 4.47Å; T352-F437 HydrophobicContact CG2-CD1 4.29Å; T352-F437 HydrophobicContact CG2-CD2 4.17Å; T352-F437 HydrophobicContact CG2-CE2 4.47Å; T352-F437 HydrophobicContact CG2-CG 4.08Å; T352-N439 WeakPolarHBondContact CA-O 3.41Å; T352-F467 HydrophobicContact CG2-CE2 3.67Å; T352-F467 HydrophobicContact CG2-CZ 3.78Å
353	T	95.9	Very high	94.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	141	178.8	60.4	0	0	0	0	111.1	A351 H438 N439 E441 M445	A351-T353 HydrophobicContact CB-CG2 4.26Å; T353-H438 PolarHBondContact O-N 2.96Å; T353-N439 PolarHBondContact N-O 2.84Å; T353-N439 PolarHBondContact O-N 2.73Å; T353-N439 PolarHBondContact OG1-ND2 3.3Å; T353-E441 HydrophobicContact CG2-CG 4.43Å; T353-E441 WeakPolarHBondContact CG2-OE1 3.31Å; T353-E441 PolarHBondContact OG1-OE1 3.25Å; T353-M445 HydrophobicContact CG2-CG 3.69Å; T353-M445 HydrophobicContact CG2-SD 4.18Å
354	S	93.1	Very high	94.6	Very high	5 Å²	5	12.5 Å²	12.5	4%	0.035	6%	0.059	C	C	.	.			trans	-106.6	145.9	169	-172.7	0	0	0	0	111.9	D356 S357 E436 H438 E447	S354-D356 PolarHBondContact OG-N 2.87Å; S354-D356 VanDerWaalsContact OG-N 3.1Å; S354-S357 WeakPolarHBondContact CB-OG 3.49Å; S354-E436 WeakPolarHBondContact CB-OE1 3.36Å; S354-E436 PolarHBondContact OG-OE1 3.34Å; S354-H438 PolarHBondContact OG-ND1 2.82Å; S354-E447 WeakPolarHBondContact O-CG 3.06Å
355	R	91.5	Very high	94.8	Very high	99 Å²	99	12.6 Å²	12.6	37%	0.374	6%	0.06	S	C	.	.	S	Bend	trans	-76.1	-12.9	169	-63.4	-174.5	-66.7	-113.3	7.1	113.2	H438 E447 R449 Y450	R355-H438 HydrophobicContact CG-CB 4.18Å; R355-H438 PolarHBondContact N-ND1 2.98Å; R355-H438 PolarHBondContact NH2-CD2 2.83Å; R355-H438 PolarHBondContact NH2-NE2 3.47Å; R355-E447 HydrophobicContact CG-CG 4.36Å; R355-R449 PolarHBondContact O-NH1 2.93Å; R355-Y450 WeakPolarHBondContact O-CE2 3.45Å
356	D	88.4	Confident	94.9	Very high	54 Å²	54	14.1 Å²	14.1	29%	0.289	7%	0.068	S	C	.	.	S	Bend	trans	-115.9	-21.9	-171.1	-72.8	-25	0	0	0	113.8	Q127 S354 R380 H438 Y450	Q127-D356 PolarHBondContact NE2-OD2 2.86Å; S354-D356 PolarHBondContact OG-N 2.87Å; S354-D356 VanDerWaalsContact OG-N 3.1Å; D356-R380 PolarHBondContact O-NH1 3.05Å; D356-R380 VanDerWaalsContact O-NH1 3.16Å; D356-R380 PolarHBondContact O-NH2 2.94Å; D356-H438 IonicContact OD2-CE1 3.2Å; D356-Y450 VanDerWaalsContact C-CE2 3.42Å; D356-Y450 WeakPolarHBondContact O-CE2 3.46Å
357	S	88.1	Confident	94.7	Very high	6 Å²	6	13.2 Å²	13.2	4%	0.042	7%	0.07	C	C	.	.	S	Bend	trans	-139.6	173.9	-176.6	68.4	0	0	0	0	112.9	S354 D359	S354-S357 WeakPolarHBondContact CB-OG 3.49Å; S357-D359 VanDerWaalsContact OG-CB 3.26Å; S357-D359 WeakPolarHBondContact OG-CB 3.49Å; S357-D359 VanDerWaalsContact OG-CG 3.23Å; S357-D359 PolarHBondContact OG-N 3.15Å
358	A	89.1	Confident	94.4	Very high	15 Å²	15	13.2 Å²	13.2	12%	0.124	7%	0.07	C	C	.	.	S	Bend	trans	-86.7	13.9	170	0	0	0	0	0	112.9	T360 N375 D377 Y450	A358-T360 PolarHBondContact O-N 3.49Å; A358-N375 PolarHBondContact O-ND2 3.46Å; A358-D377 HydrophobicContact CB-CB 4.47Å; A358-Y450 WeakPolarHBondContact CB-O 3.49Å
359	D	91.6	Very high	94.4	Very high	9 Å²	9	16.8 Å²	16.8	5%	0.048	8%	0.083	C	C	.	.			trans	-64.9	131.2	-179.4	-73.3	9.1	0	0	0	110.8	S357 N375 D377 L435 E436	S357-D359 VanDerWaalsContact OG-CB 3.26Å; S357-D359 WeakPolarHBondContact OG-CB 3.49Å; S357-D359 VanDerWaalsContact OG-CG 3.23Å; S357-D359 PolarHBondContact OG-N 3.15Å; D359-N375 WeakPolarHBondContact CA-O 3.32Å; D359-D377 WeakPolarHBondContact OD1-CB 3.41Å; D359-D377 PolarHBondContact OD1-N 3.29Å; D359-L435 HydrophobicContact CB-CD1 4.15Å; D359-E436 HydrophobicContact CB-CB 4.48Å; D359-E436 WeakPolarHBondContact CB-O 3.32Å; D359-E436 WeakPolarHBondContact OD2-CB 3.4Å; D359-E436 PolarHBondContact OD2-N 2.73Å; D359-E436 VanDerWaalsContact OD2-N 3.12Å
360	T	94.1	Very high	94.4	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.012	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	137.8	176.4	-172.7	0	0	0	0	111.9	T352 A358 R362 V374 N375	T352-T360 VanDerWaalsContact O-CB 3.24Å; T352-T360 WeakPolarHBondContact O-CB 3.43Å; T352-T360 PolarHBondContact O-OG1 3.24Å; A358-T360 PolarHBondContact O-N 3.49Å; T360-R362 HydrophobicContact CG2-CB 4.43Å; T360-V374 WeakPolarHBondContact O-CA 3.06Å; T360-N375 HydrophobicContact CG2-CB 4.01Å; T360-N375 PolarHBondContact N-O 3Å; T360-N375 PolarHBondContact O-N 3.26Å
361	L	97.2	Very high	94.3	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.2	154	-179.1	160.6	0	0	0	106.1	E334 V336 A351 T352 L372 V374 L435	E334-L361 HydrophobicContact CB-CD1 4.28Å; E334-L361 HydrophobicContact CG-CD1 4.34Å; V336-L361 HydrophobicContact CG2-CD2 4.36Å; A351-L361 CarbonylContact C-O 3.58Å; A351-L361 WeakPolarHBondContact CA-O 3.47Å; T352-L361 HydrophobicContact CG2-CB 4.43Å; T352-L361 PolarHBondContact N-O 3.16Å; T352-L361 PolarHBondContact OG1-N 3.42Å; L361-L372 HydrophobicContact CD2-CD1 4.12Å; L361-L372 HydrophobicContact CG-CD1 4.11Å; L361-V374 HydrophobicContact CG-CG2 4.27Å; L361-L435 HydrophobicContact CB-CD2 3.79Å
362	R	96.4	Very high	94.4	Very high	11 Å²	11	17.8 Å²	17.8	4%	0.042	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.3	-170.6	-166.5	167.3	84.8	-132.8	2.9	111.9	L348 V350 A351 T360 E364 L372 M373	L348-R362 HydrophobicContact CD1-CG 3.85Å; V350-R362 CarbonylContact O-C 3.56Å; V350-R362 WeakPolarHBondContact O-CA 3.29Å; A351-R362 HydrophobicContact CB-CB 4.46Å; A351-R362 HydrophobicContact CB-CG 3.98Å; T360-R362 HydrophobicContact CG2-CB 4.43Å; R362-E364 IonicContact CZ-OE2 3.06Å; R362-E364 IonicContact NE-OE2 2.64Å; R362-E364 PolarHBondContact NE-OE2 2.74Å; R362-E364 IonicContact NH2-OE1 3.47Å; R362-E364 PolarHBondContact NH2-OE1 3.25Å; R362-E364 IonicContact NH2-OE2 2.78Å; R362-E364 PolarHBondContact NH2-OE2 3.44Å; R362-L372 CarbonylContact O-C 3.6Å; R362-L372 WeakPolarHBondContact O-CA 3.39Å; R362-M373 HydrophobicContact CB-CB 4.43Å; R362-M373 PolarHBondContact N-O 3.12Å; R362-M373 PolarHBondContact NH2-SD 2.81Å; R362-M373 VanDerWaalsContact NH2-SD 3.44Å; R362-M373 PolarHBondContact O-N 3.18Å
363	L	98.4	Very high	94.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.8	174.9	-74.5	157.2	0	0	0	108.4	V336 F338 L349 V350 V370 K371 L372 V406 V408 L417	V336-L363 HydrophobicContact CG1-CD1 4.45Å; F338-L363 HydrophobicContact CE1-CB 4.36Å; F338-L363 HydrophobicContact CE1-CD1 3.7Å; F338-L363 HydrophobicContact CZ-CB 4.25Å; F338-L363 HydrophobicContact CZ-CD1 4.32Å; L349-L363 WeakPolarHBondContact CA-O 3.4Å; L349-L363 HydrophobicContact CB-CB 4.4Å; L349-L363 WeakPolarHBondContact CB-O 3.5Å; L349-L363 PolarHBondContact N-O 3.02Å; V350-L363 HydrophobicContact CB-CB 4.5Å; V350-L363 PolarHBondContact N-O 3.42Å; V350-L363 VanDerWaalsContact N-O 3.11Å; V350-L363 PolarHBondContact O-N 2.93Å; L363-V370 HydrophobicContact CD2-CG1 3.81Å; L363-K371 WeakPolarHBondContact CA-O 3.21Å; L363-L372 HydrophobicContact CD2-CB 3.88Å; L363-L372 HydrophobicContact CD2-CD1 4.06Å; L363-L372 HydrophobicContact CG-CD1 4.18Å; L363-V406 HydrophobicContact CD1-CG1 4.32Å; L363-V406 HydrophobicContact CD2-CG1 4.2Å; L363-V408 HydrophobicContact CD1-CG2 3.72Å; L363-V408 HydrophobicContact CD2-CG2 3.84Å; L363-V408 HydrophobicContact CG-CG2 4.31Å; L363-L417 HydrophobicContact CD2-CD1 3.99Å
364	E	97.6	Very high	94.2	Very high	12 Å²	12	19 Å²	19	6%	0.056	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	151.6	-177.6	64.1	-165.1	-158.5	0	0	110.6	G347 R362 K371 P455	G347-E364 CarbonylContact O-C 3.39Å; G347-E364 WeakPolarHBondContact O-CA 3.35Å; R362-E364 IonicContact CZ-OE2 3.06Å; R362-E364 IonicContact NE-OE2 2.64Å; R362-E364 PolarHBondContact NE-OE2 2.74Å; R362-E364 IonicContact NH2-OE1 3.47Å; R362-E364 PolarHBondContact NH2-OE1 3.25Å; R362-E364 IonicContact NH2-OE2 2.78Å; R362-E364 PolarHBondContact NH2-OE2 3.44Å; E364-K371 HydrophobicContact CG-CB 4.05Å; E364-K371 HydrophobicContact CG-CD 3.92Å; E364-K371 HydrophobicContact CG-CG 4.28Å; E364-K371 PolarHBondContact N-O 2.79Å; E364-K371 PolarHBondContact O-N 2.9Å; E364-K371 VanDerWaalsContact OE1-CD 3.29Å; E364-K371 WeakPolarHBondContact OE1-CD 3.18Å; E364-K371 WeakPolarHBondContact OE1-CE 3.35Å; E364-K371 IonicContact OE1-NZ 2.77Å; E364-K371 PolarHBondContact OE1-NZ 3.32Å; E364-P455 HydrophobicContact CB-CB 4.38Å; E364-P455 WeakPolarHBondContact OE2-CB 3.42Å
365	L	97.6	Very high	94.1	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.021	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	130.4	162.2	-70	169.1	0	0	0	108.6	F340 A345 Y346 G347 L349 R369 V370 F458	F340-L365 HydrophobicContact CD2-CD1 4.32Å; F340-L365 HydrophobicContact CE2-CD1 4.02Å; F340-L365 HydrophobicContact CE2-CD2 3.77Å; F340-L365 HydrophobicContact CE2-CG 4.36Å; F340-L365 HydrophobicContact CZ-CD2 3.8Å; A345-L365 CarbonylContact O-C 3.49Å; Y346-L365 WeakPolarHBondContact CA-O 3.46Å; G347-L365 PolarHBondContact N-O 3.21Å; G347-L365 PolarHBondContact O-N 2.95Å; L349-L365 HydrophobicContact CD1-CD2 4.45Å; L349-L365 HydrophobicContact CD1-CG 4.16Å; L349-L365 HydrophobicContact CD2-CD1 4.24Å; L349-L365 HydrophobicContact CD2-CG 4.21Å; L349-L365 HydrophobicContact CG-CG 4.34Å; L365-R369 WeakPolarHBondContact CA-O 3.39Å; L365-V370 HydrophobicContact CD2-CG2 3.98Å; L365-F458 HydrophobicContact CD1-CE2 4.23Å
366	D	93.6	Very high	94	Very high	35 Å²	35	16.3 Å²	16.3	19%	0.187	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	97.8	179.3	-169.5	-10.8	0	0	0	110.2	Y346 R369 K371 Y393	Y346-D366 WeakPolarHBondContact CE1-OD1 3.15Å; D366-R369 PolarHBondContact N-O 3.33Å; D366-R369 PolarHBondContact O-N 2.77Å; D366-K371 HydrophobicContact CB-CB 4.07Å; D366-K371 HydrophobicContact CB-CD 3.75Å; D366-K371 WeakPolarHBondContact OD2-CD 3.4Å; D366-K371 WeakPolarHBondContact OD2-CE 3.42Å; D366-K371 IonicContact OD2-NZ 3.53Å; D366-K371 PolarHBondContact OD2-NZ 2.98Å; D366-Y393 HydrophobicContact CB-CE1 4.24Å
367	G	89.4	Confident	93.4	Very high	19 Å²	19	15.2 Å²	15.2	20%	0.196	8%	0.08	C	C	.	.	S	Bend	trans	68.7	35.2	-177.3	0	0	0	0	0	113.4	A345 R369	A345-G367 PolarHBondContact O-N 2.84Å; A345-G367 VanDerWaalsContact O-N 3.07Å; G367-R369 VanDerWaalsContact C-N 3.33Å
368	G	90.6	Very high	92.4	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.01	8%	0.083	C	C	.	.	S	Bend	trans	74.7	20.7	-178.7	0	0	0	0	0	114.1	A345 Q396 K397 L398	A345-G368 PolarHBondContact O-N 3Å; G368-Q396 CarbonylContact O-C 3.6Å; G368-K397 PolarHBondContact O-N 3.38Å; G368-L398 PolarHBondContact O-N 3.2Å
369	R	96.1	Very high	90.9	Very high	76 Å²	76	22.1 Å²	22.1	29%	0.287	11%	0.114	S	C	.	.	S	Bend	trans	-124.9	152.1	174.1	-51.6	178.2	-68	159	0.6	108.5	L365 D366 G367 Y393 G395	L365-R369 WeakPolarHBondContact CA-O 3.39Å; D366-R369 PolarHBondContact N-O 3.33Å; D366-R369 PolarHBondContact O-N 2.77Å; G367-R369 VanDerWaalsContact C-N 3.33Å; R369-Y393 VanDerWaalsContact CZ-CD1 3.49Å; R369-G395 VanDerWaalsContact CG-O 3.29Å; R369-G395 WeakPolarHBondContact CG-O 3.31Å
370	V	98.5	Very high	89.2	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	133.3	169.9	172.3	0	0	0	0	108.6	F340 L349 L363 L365 Y393 A394 L398 V406 L417 V419	F340-V370 HydrophobicContact CE1-CG2 3.62Å; F340-V370 HydrophobicContact CZ-CG2 3.78Å; L349-V370 HydrophobicContact CD1-CG1 4.38Å; L349-V370 HydrophobicContact CD1-CG2 3.99Å; L363-V370 HydrophobicContact CD2-CG1 3.81Å; L365-V370 HydrophobicContact CD2-CG2 3.98Å; V370-Y393 WeakPolarHBondContact O-CA 3.2Å; V370-A394 PolarHBondContact N-O 3.48Å; V370-A394 PolarHBondContact O-N 2.82Å; V370-L398 HydrophobicContact CB-CD1 4.33Å; V370-L398 HydrophobicContact CG2-CD1 3.72Å; V370-V406 HydrophobicContact CG1-CG1 4.2Å; V370-V406 HydrophobicContact CG1-CG2 4.28Å; V370-V406 HydrophobicContact CG2-CG2 3.96Å; V370-L417 HydrophobicContact CG1-CD1 4.18Å; V370-L417 HydrophobicContact CG1-CD2 4.44Å; V370-V419 HydrophobicContact CB-CG2 3.79Å; V370-V419 HydrophobicContact CG1-CG2 4.21Å; V370-V419 HydrophobicContact CG2-CG1 4.41Å; V370-V419 HydrophobicContact CG2-CG2 4.17Å
371	K	98	Very high	87.3	Confident	22 Å²	22	30.2 Å²	30.2	10%	0.096	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120	178.1	173.7	-177	175	-169.3	0	109.3	L363 E364 D366 L392 Y393	L363-K371 WeakPolarHBondContact CA-O 3.21Å; E364-K371 HydrophobicContact CG-CB 4.05Å; E364-K371 HydrophobicContact CG-CD 3.92Å; E364-K371 HydrophobicContact CG-CG 4.28Å; E364-K371 PolarHBondContact N-O 2.79Å; E364-K371 PolarHBondContact O-N 2.9Å; E364-K371 VanDerWaalsContact OE1-CD 3.29Å; E364-K371 WeakPolarHBondContact OE1-CD 3.18Å; E364-K371 WeakPolarHBondContact OE1-CE 3.35Å; E364-K371 IonicContact OE1-NZ 2.77Å; E364-K371 PolarHBondContact OE1-NZ 3.32Å; D366-K371 HydrophobicContact CB-CB 4.07Å; D366-K371 HydrophobicContact CB-CD 3.75Å; D366-K371 WeakPolarHBondContact OD2-CD 3.4Å; D366-K371 WeakPolarHBondContact OD2-CE 3.42Å; D366-K371 IonicContact OD2-NZ 3.53Å; D366-K371 PolarHBondContact OD2-NZ 2.98Å; K371-L392 CarbonylContact C-O 3.46Å; K371-L392 VanDerWaalsContact CA-O 3.31Å; K371-L392 WeakPolarHBondContact CA-O 3.45Å; K371-Y393 HydrophobicContact CB-CD1 3.87Å; K371-Y393 HydrophobicContact CB-CE1 3.82Å; K371-Y393 HydrophobicContact CD-CD1 4.42Å; K371-Y393 HydrophobicContact CD-CE1 3.56Å; K371-Y393 VanDerWaalsContact CE-OH 3.32Å; K371-Y393 WeakPolarHBondContact CE-OH 3.42Å; K371-Y393 HydrophobicContact CG-CD1 4.13Å; K371-Y393 HydrophobicContact CG-CE1 3.71Å; K371-Y393 HydrophobicContact CG-CE2 4.46Å
372	L	98.3	Very high	85.1	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	128.9	163.8	173.4	61.1	0	0	0	107.9	L361 R362 L363 V374 T391 L392 V408 L417	L361-L372 HydrophobicContact CD2-CD1 4.12Å; L361-L372 HydrophobicContact CG-CD1 4.11Å; R362-L372 CarbonylContact O-C 3.6Å; R362-L372 WeakPolarHBondContact O-CA 3.39Å; L363-L372 HydrophobicContact CD2-CB 3.88Å; L363-L372 HydrophobicContact CD2-CD1 4.06Å; L363-L372 HydrophobicContact CG-CD1 4.18Å; L372-V374 HydrophobicContact CD1-CG2 4.09Å; L372-V374 HydrophobicContact CG-CG2 4.3Å; L372-T391 CarbonylContact O-C 3.59Å; L372-T391 WeakPolarHBondContact O-CA 3.16Å; L372-L392 HydrophobicContact CB-CB 4.38Å; L372-L392 PolarHBondContact N-O 2.7Å; L372-L392 PolarHBondContact O-N 2.76Å; L372-V408 HydrophobicContact CD1-CG1 4.2Å; L372-V408 HydrophobicContact CD1-CG2 4.28Å; L372-V408 HydrophobicContact CD2-CG1 3.79Å; L372-V408 HydrophobicContact CD2-CG2 4.19Å; L372-L417 HydrophobicContact CB-CB 4.49Å; L372-L417 HydrophobicContact CB-CD1 4.49Å; L372-L417 HydrophobicContact CB-CD2 4.03Å; L372-L417 HydrophobicContact CD2-CB 4.39Å
373	M	95.4	Very high	83.2	Confident	23 Å²	23	38.4 Å²	38.4	11%	0.113	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.5	167.9	178.9	174	-76.6	0	0	109	R362 P389 E390 T391	R362-M373 HydrophobicContact CB-CB 4.43Å; R362-M373 PolarHBondContact N-O 3.12Å; R362-M373 PolarHBondContact NH2-SD 2.81Å; R362-M373 VanDerWaalsContact NH2-SD 3.44Å; R362-M373 PolarHBondContact O-N 3.18Å; M373-P389 HydrophobicContact CE-CB 4.05Å; M373-P389 HydrophobicContact CE-CG 3.82Å; M373-P389 HydrophobicContact CG-CB 3.74Å; M373-P389 HydrophobicContact SD-CB 3.74Å; M373-P389 HydrophobicContact SD-CG 3.99Å; M373-E390 CarbonylContact C-O 3.56Å; M373-E390 WeakPolarHBondContact CA-O 3.37Å; M373-T391 HydrophobicContact CB-CG2 4.08Å; M373-T391 HydrophobicContact CE-CG2 3.56Å; M373-T391 HydrophobicContact CG-CG2 4.03Å
374	V	94.8	Very high	81.2	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	117.4	169.2	-175.5	0	0	0	0	108.2	T360 L361 L372 L376 E390 L415 M428	T360-V374 WeakPolarHBondContact O-CA 3.06Å; L361-V374 HydrophobicContact CG-CG2 4.27Å; L372-V374 HydrophobicContact CD1-CG2 4.09Å; L372-V374 HydrophobicContact CG-CG2 4.3Å; V374-L376 HydrophobicContact CG1-CD2 4.32Å; V374-L376 HydrophobicContact CG1-CG 4.28Å; V374-E390 PolarHBondContact N-O 3.29Å; V374-E390 PolarHBondContact O-N 2.77Å; V374-L415 HydrophobicContact CG2-CD1 4.26Å; V374-L415 HydrophobicContact CG2-CD2 3.87Å; V374-M428 HydrophobicContact CB-SD 4.1Å; V374-M428 HydrophobicContact CG1-SD 3.7Å
375	N	90.9	Very high	79	Confident	34 Å²	34	48.8 Å²	48.8	18%	0.182	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.9	175.7	-171.6	56.3	0	0	0	108.8	A358 D359 T360 P389	A358-N375 PolarHBondContact O-ND2 3.46Å; D359-N375 WeakPolarHBondContact CA-O 3.32Å; T360-N375 HydrophobicContact CG2-CB 4.01Å; T360-N375 PolarHBondContact N-O 3Å; T360-N375 PolarHBondContact O-N 3.26Å; N375-P389 HydrophobicContact CB-CB 4Å
376	L	88.9	Confident	76.9	Confident	14 Å²	14	50.7 Å²	50.7	7%	0.073	27%	0.274	C	S	.	.			trans	-126.7	121.1	175.4	-54	178.5	0	0	0	108.1	V374 C378 M428 H432 L435	V374-L376 HydrophobicContact CG1-CD2 4.32Å; V374-L376 HydrophobicContact CG1-CG 4.28Å; L376-C378 PolarHBondContact O-N 3.41Å; L376-M428 HydrophobicContact CD1-CE 3.97Å; L376-H432 WeakPolarHBondContact CD1-O 3.37Å; L376-L435 HydrophobicContact CD2-CB 3.95Å; L376-L435 HydrophobicContact CD2-CD1 3.76Å
377	D	76	Confident	75.3	Confident	30 Å²	30	58.1 Å²	58.1	16%	0.16	30%	0.304	C	S	.	.			trans	-79	107.8	-172.2	-177.3	10.6	0	0	0	112	A358 D359 I379	A358-D377 HydrophobicContact CB-CB 4.47Å; D359-D377 WeakPolarHBondContact OD1-CB 3.41Å; D359-D377 PolarHBondContact OD1-N 3.29Å; D377-I379 VanDerWaalsContact C-N 3.29Å; D377-I379 PolarHBondContact O-N 3.46Å; D377-I379 VanDerWaalsContact OD1-CB 3.23Å; D377-I379 WeakPolarHBondContact OD1-CB 3.33Å; D377-I379 WeakPolarHBondContact OD1-CD1 3.4Å; D377-I379 WeakPolarHBondContact OD1-CG1 3.12Å; D377-I379 PolarHBondContact OD1-N 3.14Å
378	C	66.8	Low	74.3	Confident	16 Å²	16	58.7 Å²	58.7	11%	0.108	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-73.8	-13	177	-92	0	0	0	0	114.8	L376 R380 I381 N382 C383	L376-C378 PolarHBondContact O-N 3.41Å; C378-R380 PolarHBondContact O-N 2.89Å; C378-I381 PolarHBondContact O-N 3.49Å; C378-I381 VanDerWaalsContact O-N 3.16Å; C378-N382 PolarHBondContact O-N 2.71Å; C378-C383 WeakPolarHBondContact CA-SG 3.43Å; C378-C383 HydrophobicContact CB-CB 4.27Å; C378-C383 WeakPolarHBondContact CB-SG 3.23Å; C378-C383 WeakPolarHBondContact SG-CB 2.97Å; C378-C383 CovalentContact SG-SG 2.05Å; C378-C383 PolarHBondContact SG-SG 2.89Å
379	I	57.9	Low	74.1	Confident	151 Å²	151	61.6 Å²	61.6	77%	0.774	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-59.8	-33.4	-172.6	-65	168.7	0	0	0	111.7	D377	D377-I379 VanDerWaalsContact C-N 3.29Å; D377-I379 PolarHBondContact O-N 3.46Å; D377-I379 VanDerWaalsContact OD1-CB 3.23Å; D377-I379 WeakPolarHBondContact OD1-CB 3.33Å; D377-I379 WeakPolarHBondContact OD1-CD1 3.4Å; D377-I379 WeakPolarHBondContact OD1-CG1 3.12Å; D377-I379 PolarHBondContact OD1-N 3.14Å
380	R	56.3	Low	73.9	Confident	97 Å²	97	60.2 Å²	60.2	37%	0.366	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-90.7	-15.1	-178.9	-63.9	-171.3	177.1	-159.1	1.2	115	D356 C378	D356-R380 PolarHBondContact O-NH1 3.05Å; D356-R380 VanDerWaalsContact O-NH1 3.16Å; D356-R380 PolarHBondContact O-NH2 2.94Å; C378-R380 PolarHBondContact O-N 2.89Å
381	I	53.9	Low	73.7	Confident	84 Å²	84	62.8 Å²	62.8	43%	0.431	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-4.3	-168.1	-71.4	169.7	0	0	0	112.5	C378 C383 H432	C378-I381 PolarHBondContact O-N 3.49Å; C378-I381 VanDerWaalsContact O-N 3.16Å; I381-C383 PolarHBondContact O-N 3.1Å; I381-H432 WeakPolarHBondContact CD1-CE1 3.48Å; I381-H432 WeakPolarHBondContact CD1-NE2 3.26Å
382	N	51.3	Low	73.6	Confident	154 Å²	154	63 Å²	63	82%	0.824	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	32	175.2	-155.2	54.6	0	0	0	112.5	C378	C378-N382 PolarHBondContact O-N 2.71Å
383	C	57.7	Low	73.6	Confident	31 Å²	31	66.8 Å²	66.8	21%	0.209	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-78	156.6	172.3	30.9	0	0	0	0	111.6	C378 I381 S385	C378-C383 WeakPolarHBondContact CA-SG 3.43Å; C378-C383 HydrophobicContact CB-CB 4.27Å; C378-C383 WeakPolarHBondContact CB-SG 3.23Å; C378-C383 WeakPolarHBondContact SG-CB 2.97Å; C378-C383 CovalentContact SG-SG 2.05Å; C378-C383 PolarHBondContact SG-SG 2.89Å; I381-C383 PolarHBondContact O-N 3.1Å; C383-S385 PolarHBondContact O-N 3.04Å; C383-S385 VanDerWaalsContact O-N 3.13Å
384	N	55.6	Low	73.7	Confident	125 Å²	125	65.8 Å²	65.8	67%	0.668	35%	0.354	S	S	*	.	S	Bend	trans	-52.5	121.5	167.8	-70.9	-36.9	0	0	0	108.4	S386	N384-S386 PolarHBondContact O-N 2.76Å; N384-S386 VanDerWaalsContact O-N 3.17Å
385	S	50.9	Low	73.8	Confident	105 Å²	105	66 Å²	66	73%	0.734	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-46.7	119.4	-167.4	56.8	0	0	0	0	112.5	C383	C383-S385 PolarHBondContact O-N 3.04Å; C383-S385 VanDerWaalsContact O-N 3.13Å
386	S	53.3	Low	73.9	Confident	43 Å²	43	70.9 Å²	70.9	30%	0.301	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-56.2	140.4	167.9	47.4	0	0	0	0	109	N384 G388	N384-S386 PolarHBondContact O-N 2.76Å; N384-S386 VanDerWaalsContact O-N 3.17Å; S386-G388 PolarHBondContact O-N 3.49Å
387	K	60.7	Low	73.9	Confident	191 Å²	191	77.9 Å²	77.9	83%	0.83	41%	0.408	S	S	*	.			trans	-75.6	22.9	-178.1	-76.9	-174.2	172.5	-178.7	0	113.1
388	G	69.2	Low	74.9	Confident	32 Å²	32	76.8 Å²	76.8	33%	0.33	40%	0.403	S	S	.	.	S	Bend	trans	94.2	-169.5	-162.6	0	0	0	0	0	112.3	S386	S386-G388 PolarHBondContact O-N 3.49Å
389	P	85.1	Confident	76.1	Confident	61 Å²	61	77 Å²	77	40%	0.396	40%	0.403	S	S	.	.			trans	-73.7	142.5	-176.2	30.2	-36.1	0	0	0	112.5	M373 N375	M373-P389 HydrophobicContact CE-CB 4.05Å; M373-P389 HydrophobicContact CE-CG 3.82Å; M373-P389 HydrophobicContact CG-CB 3.74Å; M373-P389 HydrophobicContact SD-CB 3.74Å; M373-P389 HydrophobicContact SD-CG 3.99Å; N375-P389 HydrophobicContact CB-CB 4Å
390	E	91.6	Very high	77.7	Confident	48 Å²	48	72.9 Å²	72.9	22%	0.224	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	138.3	174.4	-67.9	-69.7	-179.8	0	0	110.3	M373 V374 L415 M428 V429	M373-E390 CarbonylContact C-O 3.56Å; M373-E390 WeakPolarHBondContact CA-O 3.37Å; V374-E390 PolarHBondContact N-O 3.29Å; V374-E390 PolarHBondContact O-N 2.77Å; E390-L415 HydrophobicContact CB-CD1 4.33Å; E390-M428 HydrophobicContact CB-CG 4.15Å; E390-M428 HydrophobicContact CG-CB 3.89Å; E390-M428 HydrophobicContact CG-CG 3.93Å; E390-V429 VanDerWaalsContact OE1-CB 3.26Å; E390-V429 WeakPolarHBondContact OE1-CB 3.33Å; E390-V429 WeakPolarHBondContact OE1-CG2 3.49Å; E390-V429 PolarHBondContact OE1-N 3.31Å
391	T	94.4	Very high	79.4	Confident	54 Å²	54	70.9 Å²	70.9	33%	0.331	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.6	-175.7	60.2	0	0	0	0	114	L372 M373	L372-T391 CarbonylContact O-C 3.59Å; L372-T391 WeakPolarHBondContact O-CA 3.16Å; M373-T391 HydrophobicContact CB-CG2 4.08Å; M373-T391 HydrophobicContact CE-CG2 3.56Å; M373-T391 HydrophobicContact CG-CG2 4.03Å
392	L	97.3	Very high	81.4	Confident	25 Å²	25	72.7 Å²	72.7	13%	0.131	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.3	169.7	-69.5	179.2	0	0	0	109.7	K371 L372 L415 L417 A424	K371-L392 CarbonylContact C-O 3.46Å; K371-L392 VanDerWaalsContact CA-O 3.31Å; K371-L392 WeakPolarHBondContact CA-O 3.45Å; L372-L392 HydrophobicContact CB-CB 4.38Å; L372-L392 PolarHBondContact N-O 2.7Å; L372-L392 PolarHBondContact O-N 2.76Å; L392-L415 HydrophobicContact CD1-CB 3.67Å; L392-L417 HydrophobicContact CB-CB 4.47Å; L392-L417 HydrophobicContact CB-CD2 4.39Å; L392-A424 HydrophobicContact CB-CB 4.39Å
393	Y	97.9	Very high	83.6	Confident	81 Å²	81	68 Å²	68	32%	0.318	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.8	177.2	-63.6	-101.2	0	0	0	109.6	D366 R369 V370 K371 A424	D366-Y393 HydrophobicContact CB-CE1 4.24Å; R369-Y393 VanDerWaalsContact CZ-CD1 3.49Å; V370-Y393 WeakPolarHBondContact O-CA 3.2Å; K371-Y393 HydrophobicContact CB-CD1 3.87Å; K371-Y393 HydrophobicContact CB-CE1 3.82Å; K371-Y393 HydrophobicContact CD-CD1 4.42Å; K371-Y393 HydrophobicContact CD-CE1 3.56Å; K371-Y393 VanDerWaalsContact CE-OH 3.32Å; K371-Y393 WeakPolarHBondContact CE-OH 3.42Å; K371-Y393 HydrophobicContact CG-CD1 4.13Å; K371-Y393 HydrophobicContact CG-CE1 3.71Å; K371-Y393 HydrophobicContact CG-CE2 4.46Å; Y393-A424 VanDerWaalsContact O-CB 3.31Å; Y393-A424 WeakPolarHBondContact O-CB 3.13Å
394	A	98.1	Very high	85.6	Confident	2 Å²	2	67.3 Å²	67.3	2%	0.017	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	155.6	172.6	0	0	0	0	0	111.5	V370 L417 V419 A424	V370-A394 PolarHBondContact N-O 3.48Å; V370-A394 PolarHBondContact O-N 2.82Å; A394-L417 HydrophobicContact CB-CD2 3.72Å; A394-L417 HydrophobicContact CB-CG 3.86Å; A394-V419 HydrophobicContact CB-CB 4.12Å; A394-V419 HydrophobicContact CB-CG2 3.63Å; A394-A424 HydrophobicContact CB-CB 4.34Å
395	G	96.2	Very high	87.6	Confident	8 Å²	8	61.9 Å²	61.9	8%	0.082	32%	0.321	C	S	.	.			trans	71.7	172.2	-174.1	0	0	0	0	0	113.8	R369 D422	R369-G395 VanDerWaalsContact CG-O 3.29Å; R369-G395 WeakPolarHBondContact CG-O 3.31Å; G395-D422 PolarHBondContact N-OD2 3.09Å
396	Q	92.3	Very high	89.9	Confident	136 Å²	136	56.9 Å²	56.9	64%	0.636	29%	0.286	S	S	*	.	S	Bend	trans	-149.3	140.4	-179.4	-68.1	-67.8	-17.8	0	0	109.9	G368 L398	G368-Q396 CarbonylContact O-C 3.6Å; Q396-L398 PolarHBondContact O-N 3.01Å
397	K	90.3	Very high	92.1	Very high	161 Å²	161	58.3 Å²	58.3	70%	0.7	29%	0.285	S	S	*	.			trans	55.5	31.1	176.7	-56.3	180	179.2	179.3	0	114.4	G368 N399	G368-K397 PolarHBondContact O-N 3.38Å; K397-N399 PolarHBondContact O-N 2.86Å
398	L	95.5	Very high	93.9	Very high	8 Å²	8	49.3 Å²	49.3	4%	0.042	25%	0.246	C	C	.	.			trans	-71	19.6	-176.6	-50.6	169.9	0	0	0	114.5	F340 G368 V370 Q396 H404 V419	F340-L398 HydrophobicContact CE2-CB 4.36Å; F340-L398 WeakPolarHBondContact CE2-O 3.38Å; F340-L398 HydrophobicContact CZ-CB 3.95Å; F340-L398 HydrophobicContact CZ-CD1 4.19Å; G368-L398 PolarHBondContact O-N 3.2Å; V370-L398 HydrophobicContact CB-CD1 4.33Å; V370-L398 HydrophobicContact CG2-CD1 3.72Å; Q396-L398 PolarHBondContact O-N 3.01Å; L398-H404 WeakPolarHBondContact CA-NE2 3.48Å; L398-H404 PolarHBondContact O-CD2 3Å; L398-V419 HydrophobicContact CD1-CG1 3.75Å; L398-V419 HydrophobicContact CD2-CG1 4.1Å
399	N	92.1	Very high	95.2	Very high	21 Å²	21	50.4 Å²	50.4	11%	0.112	25%	0.246	C	C	.	.			trans	-115.8	33.5	-178.9	72.8	-74.8	0	0	0	110.2	S342 Q343 R344 K397	S342-N399 CarbonylContact O-C 3.57Å; S342-N399 VanDerWaalsContact O-C 3.24Å; S342-N399 VanDerWaalsContact O-CA 3.27Å; S342-N399 WeakPolarHBondContact O-CA 3.37Å; Q343-N399 PolarHBondContact O-ND2 3.12Å; Q343-N399 VanDerWaalsContact O-ND2 3.09Å; R344-N399 VanDerWaalsContact C-CB 3.5Å; R344-N399 WeakPolarHBondContact O-CB 3.41Å; K397-N399 PolarHBondContact O-N 2.86Å
400	D	91.8	Very high	95.8	Very high	64 Å²	64	47.5 Å²	47.5	34%	0.342	23%	0.227	S	C	.	.	S	Bend	trans	-82	-16.7	-178.4	57.5	9.1	0	0	0	113.4	E402 H404 K597	D400-E402 PolarHBondContact OD1-N 2.94Å; D400-H404 IonicContact OD1-NE2 2.71Å; D400-H404 PolarHBondContact OD1-NE2 3.06Å; D400-H404 IonicContact OD2-CE1 3.66Å; D400-H404 IonicContact OD2-NE2 3.87Å; D400-K597 PolarHBondContact O-NZ 3.35Å
401	N	92.1	Very high	96	Very high	54 Å²	54	47.6 Å²	47.6	29%	0.289	23%	0.225	S	C	.	.	S	Bend	trans	82.6	26.1	-172	-155.9	78.4	0	0	0	115.7	M341 S342 Q343	M341-N401 WeakPolarHBondContact CE-O 3.37Å; M341-N401 WeakPolarHBondContact CG-O 3.45Å; S342-N401 WeakPolarHBondContact O-CA 3.33Å; S342-N401 PolarHBondContact O-N 3.28Å; Q343-N401 HydrophobicContact CG-CB 3.68Å; Q343-N401 WeakPolarHBondContact CG-OD1 3.31Å
402	E	96.4	Very high	96	Very high	123 Å²	123	45.2 Å²	45.2	58%	0.575	21%	0.212	S	C	*	.	S	Bend	trans	-100.5	174.2	168.8	-65.5	-59	149.5	0	0	112.2	M341 D400	M341-E402 WeakPolarHBondContact CA-O 3.38Å; M341-E402 WeakPolarHBondContact CB-O 3.43Å; D400-E402 PolarHBondContact OD1-N 2.94Å
403	W	97.9	Very high	95.7	Very high	56 Å²	56	47.4 Å²	47.4	21%	0.212	22%	0.22	C	C	.	.			trans	-86.6	111.1	176.8	-80.7	112.5	0	0	0	112.1	I312 R339 F340 M341 H461 Q463 L492	I312-W403 HydrophobicContact CD1-CZ2 4Å; I312-W403 HydrophobicContact CG1-CH2 4.3Å; I312-W403 HydrophobicContact CG1-CZ2 4.09Å; I312-W403 HydrophobicContact CG2-CH2 4.19Å; I312-W403 HydrophobicContact CG2-CZ2 4.31Å; R339-W403 HydrophobicContact CB-CE3 3.71Å; R339-W403 HydrophobicContact CB-CZ3 4.01Å; F340-W403 WeakPolarHBondContact O-CA 3.32Å; M341-W403 HydrophobicContact CB-CD2 4.1Å; M341-W403 HydrophobicContact CB-CE3 3.98Å; M341-W403 HydrophobicContact CB-CZ3 4.2Å; M341-W403 HydrophobicContact CE-CD2 4.08Å; M341-W403 HydrophobicContact CE-CG 3.77Å; W403-H461 HydrophobicContact CH2-CB 3.71Å; W403-H461 HydrophobicContact CZ2-CB 4.29Å; W403-H461 HydrophobicContact CZ3-CB 4.37Å; W403-Q463 HydrophobicContact CH2-CB 3.69Å; W403-Q463 HydrophobicContact CZ3-CB 3.76Å; W403-L492 HydrophobicContact CZ2-CD1 4.5Å
404	H	98.6	Very high	95.6	Very high	16 Å²	16	46.5 Å²	46.5	7%	0.074	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	150.1	170.9	-63	-67.1	0	0	0	111.8	R339 F340 L398 D400 D420	R339-H404 CarbonylContact C-O 3.57Å; R339-H404 WeakPolarHBondContact CA-O 3.05Å; R339-H404 WeakPolarHBondContact CB-O 3.2Å; F340-H404 HydrophobicContact CD1-CB 4.11Å; F340-H404 HydrophobicContact CE1-CB 3.55Å; F340-H404 HydrophobicContact CE2-CB 4.32Å; F340-H404 HydrophobicContact CZ-CB 3.67Å; F340-H404 AromaticContact CZ-CD2 3.92Å; F340-H404 PolarHBondContact N-O 2.84Å; F340-H404 PolarHBondContact O-N 2.79Å; L398-H404 WeakPolarHBondContact CA-NE2 3.48Å; L398-H404 PolarHBondContact O-CD2 3Å; D400-H404 IonicContact OD1-NE2 2.71Å; D400-H404 PolarHBondContact OD1-NE2 3.06Å; D400-H404 IonicContact OD2-CE1 3.66Å; D400-H404 IonicContact OD2-NE2 3.87Å; H404-D420 IonicContact CE1-OD2 3.57Å; H404-D420 IonicContact CG-OD2 3.69Å; H404-D420 IonicContact ND1-OD2 2.63Å; H404-D420 PolarHBondContact ND1-OD2 2.77Å
405	T	98.6	Very high	95.6	Very high	10 Å²	10	46.6 Å²	46.6	6%	0.061	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	118.9	-179.7	-52.1	0	0	0	0	111.1	G298 R339 V419 D420	G298-T405 VanDerWaalsContact CA-CG2 3.46Å; G298-T405 WeakPolarHBondContact CA-OG1 3.33Å; R339-T405 HydrophobicContact CG-CG2 4.4Å; T405-V419 WeakPolarHBondContact O-CA 3.24Å; T405-D420 PolarHBondContact N-OD1 3.12Å; T405-D420 PolarHBondContact O-N 3.37Å
406	V	98.8	Very high	95.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	136.5	176.4	-176.3	0	0	0	0	109.7	S337 F338 F340 L363 V370 L417 T418 V419	S337-V406 WeakPolarHBondContact CA-O 3.32Å; S337-V406 VanDerWaalsContact CB-O 3.26Å; S337-V406 WeakPolarHBondContact CB-O 3.24Å; F338-V406 HydrophobicContact CD1-CB 4.35Å; F338-V406 HydrophobicContact CD2-CB 4.43Å; F338-V406 HydrophobicContact CD2-CG2 4.48Å; F338-V406 HydrophobicContact CE1-CB 3.93Å; F338-V406 HydrophobicContact CE1-CG1 3.99Å; F338-V406 HydrophobicContact CE1-CG2 4.49Å; F338-V406 HydrophobicContact CE2-CB 4Å; F338-V406 HydrophobicContact CE2-CG2 3.79Å; F338-V406 HydrophobicContact CZ-CB 3.73Å; F338-V406 HydrophobicContact CZ-CG1 3.96Å; F338-V406 HydrophobicContact CZ-CG2 3.79Å; F338-V406 PolarHBondContact N-O 2.96Å; F338-V406 VanDerWaalsContact N-O 3.09Å; F338-V406 PolarHBondContact O-N 2.9Å; F340-V406 HydrophobicContact CD1-CG2 3.72Å; F340-V406 HydrophobicContact CE1-CG2 3.57Å; L363-V406 HydrophobicContact CD1-CG1 4.32Å; L363-V406 HydrophobicContact CD2-CG1 4.2Å; V370-V406 HydrophobicContact CG1-CG1 4.2Å; V370-V406 HydrophobicContact CG1-CG2 4.28Å; V370-V406 HydrophobicContact CG2-CG2 3.96Å; V406-L417 HydrophobicContact CG1-CD1 3.93Å; V406-T418 CarbonylContact C-O 3.49Å; V406-T418 WeakPolarHBondContact CA-O 3.41Å; V406-V419 HydrophobicContact CG2-CG2 4.49Å
407	R	98.6	Very high	96	Very high	73 Å²	73	43 Å²	43	28%	0.275	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132.3	170.2	-55.5	179.4	-177.2	89.1	-3.5	109.3	T297 V336 L417 T418	T297-R407 PolarHBondContact O-NH2 3.06Å; T297-R407 PolarHBondContact OG1-NE 2.92Å; T297-R407 PolarHBondContact OG1-NH2 3.04Å; V336-R407 CarbonylContact O-C 3.56Å; V336-R407 WeakPolarHBondContact O-CA 3.31Å; R407-L417 CarbonylContact O-C 3.56Å; R407-T418 PolarHBondContact N-O 3.27Å; R407-T418 PolarHBondContact O-N 3.34Å
408	V	98.6	Very high	96.4	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132	172.9	173.5	0	0	0	0	109	D335 V336 L363 L372 K416 L417	D335-V408 WeakPolarHBondContact CA-O 3.26Å; V336-V408 HydrophobicContact CB-CB 4.32Å; V336-V408 PolarHBondContact N-O 2.89Å; V336-V408 PolarHBondContact O-N 3.13Å; L363-V408 HydrophobicContact CD1-CG2 3.72Å; L363-V408 HydrophobicContact CD2-CG2 3.84Å; L363-V408 HydrophobicContact CG-CG2 4.31Å; L372-V408 HydrophobicContact CD1-CG1 4.2Å; L372-V408 HydrophobicContact CD1-CG2 4.28Å; L372-V408 HydrophobicContact CD2-CG1 3.79Å; L372-V408 HydrophobicContact CD2-CG2 4.19Å; V408-K416 WeakPolarHBondContact CA-O 3.28Å; V408-L417 HydrophobicContact CG2-CD1 3.67Å
409	V	98.1	Very high	96.6	Very high	55 Å²	55	36.1 Å²	36.1	33%	0.333	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	112.3	173.6	176.9	0	0	0	0	106.9	R411 K416	V409-R411 HydrophobicContact CG1-CG 4.31Å; V409-K416 HydrophobicContact CB-CB 4.32Å; V409-K416 PolarHBondContact N-O 2.93Å; V409-K416 PolarHBondContact O-N 2.91Å
410	R	97.5	Very high	96.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.1	173.5	177.4	165.3	100.6	107.2	18	110.3	T331 A333 E334 S414 L415 M428 T433	T331-R410 PolarHBondContact O-NH2 2.97Å; A333-R410 VanDerWaalsContact CA-O 3.27Å; A333-R410 WeakPolarHBondContact CA-O 3.37Å; E334-R410 PolarHBondContact N-O 3.35Å; E334-R410 PolarHBondContact O-N 2.85Å; E334-R410 IonicContact OE1-CZ 3.09Å; E334-R410 IonicContact OE1-NE 2.82Å; E334-R410 IonicContact OE1-NH2 3.98Å; E334-R410 PolarHBondContact OE1-NH2 3.24Å; E334-R410 VanDerWaalsContact OE2-CB 3.3Å; E334-R410 WeakPolarHBondContact OE2-CB 3.35Å; E334-R410 WeakPolarHBondContact OE2-CD 3.29Å; E334-R410 WeakPolarHBondContact OE2-CG 3.22Å; E334-R410 IonicContact OE2-CZ 3.36Å; E334-R410 IonicContact OE2-NE 3.76Å; E334-R410 PolarHBondContact OE2-NE 3.45Å; E334-R410 IonicContact OE2-NH2 3.17Å; E334-R410 PolarHBondContact OE2-NH2 2.86Å; R410-S414 WeakPolarHBondContact CA-O 3.41Å; R410-L415 HydrophobicContact CB-CD2 4.05Å; R410-L415 HydrophobicContact CG-CD2 3.64Å; R410-M428 VanDerWaalsContact NH1-CE 3.3Å; R410-T433 PolarHBondContact NH1-O 2.91Å; R410-T433 PolarHBondContact NH2-O 2.79Å
411	R	95.6	Very high	96.9	Very high	51 Å²	51	42.3 Å²	42.3	19%	0.192	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	94.4	-179.4	-63.6	-63.3	-179.8	-84.2	-3.5	109.4	W226 L230 E334 D335 V409 K413 S414	W226-R411 HydrophobicContact CE3-CB 4.38Å; W226-R411 HydrophobicContact CH2-CB 4.17Å; W226-R411 HydrophobicContact CZ3-CB 3.85Å; W226-R411 HydrophobicContact CZ3-CG 4.46Å; L230-R411 VanDerWaalsContact CD1-CZ 3.5Å; E334-R411 PolarHBondContact O-NH1 2.8Å; D335-R411 IonicContact OD1-CZ 3.08Å; D335-R411 IonicContact OD1-NH1 3.8Å; D335-R411 PolarHBondContact OD1-NH1 2.95Å; D335-R411 IonicContact OD1-NH2 2.74Å; D335-R411 PolarHBondContact OD1-NH2 2.66Å; D335-R411 IonicContact OD2-CZ 3.77Å; D335-R411 IonicContact OD2-NH1 3.91Å; D335-R411 IonicContact OD2-NH2 3.16Å; D335-R411 PolarHBondContact OD2-NH2 3.02Å; V409-R411 HydrophobicContact CG1-CG 4.31Å; R411-K413 PolarHBondContact O-N 2.78Å; R411-S414 PolarHBondContact N-O 3.39Å; R411-S414 WeakPolarHBondContact O-CB 3.24Å; R411-S414 PolarHBondContact O-N 2.81Å
412	G	92.9	Very high	97.2	Very high	4 Å²	4	43.5 Å²	43.5	4%	0.041	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	-120.1	-170.2	0	0	0	0	0	110.7	E332 S414 M428	E332-G412 WeakPolarHBondContact O-CA 3.45Å; E332-G412 PolarHBondContact O-N 2.9Å; G412-S414 VanDerWaalsContact C-N 3.32Å; G412-S414 PolarHBondContact O-N 2.8Å; G412-M428 WeakPolarHBondContact O-CE 3.39Å
413	K	92.8	Very high	97.2	Very high	71 Å²	71	40.9 Å²	40.9	31%	0.309	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-17.1	176.6	-55.5	-170.8	-171.5	-169.4	0	113.9	R411 T427 M428 G430 D431 T433	R411-K413 PolarHBondContact O-N 2.78Å; K413-T427 HydrophobicContact CB-CG2 3.98Å; K413-T427 CarbonylContact O-C 3.54Å; K413-T427 VanDerWaalsContact O-CA 3.3Å; K413-T427 WeakPolarHBondContact O-CA 3.15Å; K413-M428 HydrophobicContact CB-CB 4.38Å; K413-M428 PolarHBondContact O-N 2.98Å; K413-G430 WeakPolarHBondContact CE-O 3.5Å; K413-G430 PolarHBondContact NZ-O 2.93Å; K413-D431 IonicContact NZ-OD1 3.58Å; K413-D431 PolarHBondContact NZ-OD1 2.93Å; K413-T433 HydrophobicContact CG-CG2 3.62Å
414	S	95.9	Very high	97.2	Very high	61 Å²	61	39 Å²	39	43%	0.427	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.8	-177.1	-169.1	0	0	0	0	111.4	R410 R411 G412	R410-S414 WeakPolarHBondContact CA-O 3.41Å; R411-S414 PolarHBondContact N-O 3.39Å; R411-S414 WeakPolarHBondContact O-CB 3.24Å; R411-S414 PolarHBondContact O-N 2.81Å; G412-S414 VanDerWaalsContact C-N 3.32Å; G412-S414 PolarHBondContact O-N 2.8Å
415	L	97.8	Very high	97.2	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.3	175.7	-59.7	179.9	0	0	0	110	V374 E390 L392 R410 E425 G426 M428	V374-L415 HydrophobicContact CG2-CD1 4.26Å; V374-L415 HydrophobicContact CG2-CD2 3.87Å; E390-L415 HydrophobicContact CB-CD1 4.33Å; L392-L415 HydrophobicContact CD1-CB 3.67Å; R410-L415 HydrophobicContact CB-CD2 4.05Å; R410-L415 HydrophobicContact CG-CD2 3.64Å; L415-E425 CarbonylContact O-C 3.58Å; L415-E425 WeakPolarHBondContact O-CA 3.26Å; L415-G426 PolarHBondContact N-O 2.85Å; L415-G426 PolarHBondContact O-N 2.86Å; L415-M428 HydrophobicContact CD1-CG 3.81Å; L415-M428 HydrophobicContact CD1-SD 4.48Å; L415-M428 HydrophobicContact CD2-CG 4.31Å; L415-M428 HydrophobicContact CD2-SD 4.32Å; L415-M428 HydrophobicContact CG-CG 3.95Å
416	K	98.4	Very high	97	Very high	70 Å²	70	45 Å²	45	30%	0.304	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	126.8	168.1	179.6	179	-174.5	113.2	0	109.3	V408 V409 V423 A424 E425	V408-K416 WeakPolarHBondContact CA-O 3.28Å; V409-K416 HydrophobicContact CB-CB 4.32Å; V409-K416 PolarHBondContact N-O 2.93Å; V409-K416 PolarHBondContact O-N 2.91Å; K416-V423 HydrophobicContact CG-CG1 4.41Å; K416-A424 WeakPolarHBondContact CA-O 3.35Å; K416-E425 HydrophobicContact CB-CG 4.14Å; K416-E425 HydrophobicContact CD-CG 4.41Å; K416-E425 WeakPolarHBondContact CD-OE1 3.14Å; K416-E425 HydrophobicContact CG-CG 3.9Å; K416-E425 IonicContact NZ-OE1 3.34Å; K416-E425 PolarHBondContact NZ-OE1 2.86Å
417	L	98.7	Very high	96.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.7	171.8	172.3	64.8	0	0	0	108	L363 V370 L372 L392 A394 V406 R407 V408 V419 V423 A424	L363-L417 HydrophobicContact CD2-CD1 3.99Å; V370-L417 HydrophobicContact CG1-CD1 4.18Å; V370-L417 HydrophobicContact CG1-CD2 4.44Å; L372-L417 HydrophobicContact CB-CB 4.49Å; L372-L417 HydrophobicContact CB-CD1 4.49Å; L372-L417 HydrophobicContact CB-CD2 4.03Å; L372-L417 HydrophobicContact CD2-CB 4.39Å; L392-L417 HydrophobicContact CB-CB 4.47Å; L392-L417 HydrophobicContact CB-CD2 4.39Å; A394-L417 HydrophobicContact CB-CD2 3.72Å; A394-L417 HydrophobicContact CB-CG 3.86Å; V406-L417 HydrophobicContact CG1-CD1 3.93Å; R407-L417 CarbonylContact O-C 3.56Å; V408-L417 HydrophobicContact CG2-CD1 3.67Å; L417-V419 HydrophobicContact CD1-CG2 4.14Å; L417-V419 HydrophobicContact CG-CG2 4.28Å; L417-V423 WeakPolarHBondContact O-CA 3.47Å; L417-A424 PolarHBondContact N-O 2.97Å; L417-A424 PolarHBondContact O-N 2.87Å
418	T	98.6	Very high	96.4	Very high	21 Å²	21	46.9 Å²	46.9	13%	0.129	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131.5	173.7	-58.3	0	0	0	0	109	V406 R407 D422 V423	V406-T418 CarbonylContact C-O 3.49Å; V406-T418 WeakPolarHBondContact CA-O 3.41Å; R407-T418 PolarHBondContact N-O 3.27Å; R407-T418 PolarHBondContact O-N 3.34Å; T418-D422 CarbonylContact C-O 3.59Å; T418-D422 VanDerWaalsContact CA-O 3.23Å; T418-D422 WeakPolarHBondContact CA-O 3.48Å; T418-V423 HydrophobicContact CG2-CG2 3.93Å
419	V	98.5	Very high	95.8	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	109.4	-179.9	-178.2	0	0	0	0	107.2	V370 A394 L398 T405 V406 L417 D421 D422	V370-V419 HydrophobicContact CB-CG2 3.79Å; V370-V419 HydrophobicContact CG1-CG2 4.21Å; V370-V419 HydrophobicContact CG2-CG1 4.41Å; V370-V419 HydrophobicContact CG2-CG2 4.17Å; A394-V419 HydrophobicContact CB-CB 4.12Å; A394-V419 HydrophobicContact CB-CG2 3.63Å; L398-V419 HydrophobicContact CD1-CG1 3.75Å; L398-V419 HydrophobicContact CD2-CG1 4.1Å; T405-V419 WeakPolarHBondContact O-CA 3.24Å; V406-V419 HydrophobicContact CG2-CG2 4.49Å; L417-V419 HydrophobicContact CD1-CG2 4.14Å; L417-V419 HydrophobicContact CG-CG2 4.28Å; V419-D421 PolarHBondContact O-N 3.26Å; V419-D422 PolarHBondContact N-O 2.75Å; V419-D422 PolarHBondContact O-N 2.96Å
420	D	96.6	Very high	94.8	Very high	54 Å²	54	49.4 Å²	49.4	29%	0.289	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	-104.6	-164.7	-55.5	-41.8	0	0	0	110.9	H404 T405	H404-D420 IonicContact CE1-OD2 3.57Å; H404-D420 IonicContact CG-OD2 3.69Å; H404-D420 IonicContact ND1-OD2 2.63Å; H404-D420 PolarHBondContact ND1-OD2 2.77Å; T405-D420 PolarHBondContact N-OD1 3.12Å; T405-D420 PolarHBondContact O-N 3.37Å
421	D	94.3	Very high	93.9	Very high	160 Å²	160	54.5 Å²	54.5	86%	0.856	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-11.3	177.6	-64.1	-45.5	0	0	0	114.1	V419	V419-D421 PolarHBondContact O-N 3.26Å
422	D	97.6	Very high	93.3	Very high	79 Å²	79	53.4 Å²	53.4	42%	0.422	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	137.5	-179.3	-171.8	27	0	0	0	111.5	G395 T418 V419	G395-D422 PolarHBondContact N-OD2 3.09Å; T418-D422 CarbonylContact C-O 3.59Å; T418-D422 VanDerWaalsContact CA-O 3.23Å; T418-D422 WeakPolarHBondContact CA-O 3.48Å; V419-D422 PolarHBondContact N-O 2.75Å; V419-D422 PolarHBondContact O-N 2.96Å
423	V	97.9	Very high	93.2	Very high	69 Å²	69	54.3 Å²	54.3	42%	0.418	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123.5	-170.4	-177.1	0	0	0	0	111	K416 L417 T418 E425	K416-V423 HydrophobicContact CG-CG1 4.41Å; L417-V423 WeakPolarHBondContact O-CA 3.47Å; T418-V423 HydrophobicContact CG2-CG2 3.93Å; V423-E425 HydrophobicContact CG1-CG 4.31Å
424	A	97.9	Very high	93.1	Very high	17 Å²	17	53.5 Å²	53.5	14%	0.14	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.2	170.7	0	0	0	0	0	110.6	L392 Y393 A394 K416 L417	L392-A424 HydrophobicContact CB-CB 4.39Å; Y393-A424 VanDerWaalsContact O-CB 3.31Å; Y393-A424 WeakPolarHBondContact O-CB 3.13Å; A394-A424 HydrophobicContact CB-CB 4.34Å; K416-A424 WeakPolarHBondContact CA-O 3.35Å; L417-A424 PolarHBondContact N-O 2.97Å; L417-A424 PolarHBondContact O-N 2.87Å
425	E	97.7	Very high	93	Very high	132 Å²	132	50.6 Å²	50.6	62%	0.617	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.6	147.7	176.8	-69.4	-177.1	171.5	0	0	110.4	L415 K416 V423	L415-E425 CarbonylContact O-C 3.58Å; L415-E425 WeakPolarHBondContact O-CA 3.26Å; K416-E425 HydrophobicContact CB-CG 4.14Å; K416-E425 HydrophobicContact CD-CG 4.41Å; K416-E425 WeakPolarHBondContact CD-OE1 3.14Å; K416-E425 HydrophobicContact CG-CG 3.9Å; K416-E425 IonicContact NZ-OE1 3.34Å; K416-E425 PolarHBondContact NZ-OE1 2.86Å; V423-E425 HydrophobicContact CG1-CG 4.31Å
426	G	94.9	Very high	92.7	Very high	20 Å²	20	51.2 Å²	51.2	21%	0.206	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	170.4	-177.1	0	0	0	0	0	112.7	L415	L415-G426 PolarHBondContact N-O 2.85Å; L415-G426 PolarHBondContact O-N 2.86Å
427	T	93.7	Very high	92.6	Very high	100 Å²	100	48 Å²	48	61%	0.613	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.9	125.4	175.6	-60.1	0	0	0	0	109.3	K413	K413-T427 HydrophobicContact CB-CG2 3.98Å; K413-T427 CarbonylContact O-C 3.54Å; K413-T427 VanDerWaalsContact O-CA 3.3Å; K413-T427 WeakPolarHBondContact O-CA 3.15Å
428	M	90.1	Very high	92.5	Very high	12 Å²	12	48.5 Å²	48.5	6%	0.059	27%	0.272	C	S	.	.			trans	-65.5	141.3	179.6	-57.6	-166.8	-51.8	0	0	112.1	V374 L376 E390 R410 G412 K413 L415	V374-M428 HydrophobicContact CB-SD 4.1Å; V374-M428 HydrophobicContact CG1-SD 3.7Å; L376-M428 HydrophobicContact CD1-CE 3.97Å; E390-M428 HydrophobicContact CB-CG 4.15Å; E390-M428 HydrophobicContact CG-CB 3.89Å; E390-M428 HydrophobicContact CG-CG 3.93Å; R410-M428 VanDerWaalsContact NH1-CE 3.3Å; G412-M428 WeakPolarHBondContact O-CE 3.39Å; K413-M428 HydrophobicContact CB-CB 4.38Å; K413-M428 PolarHBondContact O-N 2.98Å; L415-M428 HydrophobicContact CD1-CG 3.81Å; L415-M428 HydrophobicContact CD1-SD 4.48Å; L415-M428 HydrophobicContact CD2-CG 4.31Å; L415-M428 HydrophobicContact CD2-SD 4.32Å; L415-M428 HydrophobicContact CG-CG 3.95Å
429	V	85.4	Confident	92.4	Very high	86 Å²	86	47.6 Å²	47.6	52%	0.521	27%	0.267	S	S	.	.	S	Bend	trans	-89.7	144.4	173.7	-176.2	0	0	0	0	110.5	E390	E390-V429 VanDerWaalsContact OE1-CB 3.26Å; E390-V429 WeakPolarHBondContact OE1-CB 3.33Å; E390-V429 WeakPolarHBondContact OE1-CG2 3.49Å; E390-V429 PolarHBondContact OE1-N 3.31Å
430	G	78.1	Confident	92.4	Very high	24 Å²	24	47.4 Å²	47.4	25%	0.247	27%	0.266	C	S	.	.	S	Bend	trans	94.8	175	-173.1	0	0	0	0	0	112.2	K413	K413-G430 WeakPolarHBondContact CE-O 3.5Å; K413-G430 PolarHBondContact NZ-O 2.93Å
431	D	78	Confident	92.5	Very high	107 Å²	107	44.9 Å²	44.9	57%	0.572	25%	0.252	S	S	*	.	S	Bend	trans	-104	-6.9	-171.2	-65.5	-47.5	0	0	0	114.8	K413	K413-D431 IonicContact NZ-OD1 3.58Å; K413-D431 PolarHBondContact NZ-OD1 2.93Å
432	H	84.3	Confident	92.7	Very high	28 Å²	28	37.2 Å²	37.2	13%	0.13	21%	0.211	C	C	.	.			trans	-83.3	126.6	178.5	-169.6	27.5	0	0	0	111	L376 I381 R434	L376-H432 WeakPolarHBondContact CD1-O 3.37Å; I381-H432 WeakPolarHBondContact CD1-CE1 3.48Å; I381-H432 WeakPolarHBondContact CD1-NE2 3.26Å; H432-R434 PolarHBondContact CE1-O 2.79Å; H432-R434 PolarHBondContact NE2-O 2.88Å
433	T	89.7	Confident	92.6	Very high	22 Å²	22	33.5 Å²	33.5	14%	0.135	19%	0.191	C	C	.	.			trans	-118.5	-21.4	-178.9	43.7	0	0	0	0	113.8	E332 R410 K413	E332-T433 WeakPolarHBondContact OE2-CB 3.44Å; E332-T433 PolarHBondContact OE2-OG1 2.78Å; R410-T433 PolarHBondContact NH1-O 2.91Å; R410-T433 PolarHBondContact NH2-O 2.79Å; K413-T433 HydrophobicContact CG-CG2 3.62Å
434	R	91.1	Very high	92.4	Very high	54 Å²	54	32.4 Å²	32.4	20%	0.204	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-81.4	120.9	-172.3	-175.5	178.9	-58.3	175.7	6.1	111.9	T223 E224 H330 T331 E332 H432	T223-R434 HydrophobicContact CG2-CG 4.3Å; T223-R434 PolarHBondContact OG1-NE 2.87Å; T223-R434 PolarHBondContact OG1-NH2 3.17Å; E224-R434 IonicContact OE1-CZ 2.73Å; E224-R434 IonicContact OE1-NH2 3.76Å; E224-R434 PolarHBondContact OE1-NH2 2.73Å; E224-R434 IonicContact OE2-NH2 3.82Å; H330-R434 HydrophobicContact CB-CG 4.09Å; T331-R434 CarbonylContact O-C 3.42Å; T331-R434 WeakPolarHBondContact O-CA 3.28Å; E332-R434 HydrophobicContact CG-CB 3.98Å; E332-R434 IonicContact OE1-NE 4Å; E332-R434 IonicContact OE1-NH2 3.28Å; H432-R434 PolarHBondContact CE1-O 2.79Å; H432-R434 PolarHBondContact NE2-O 2.88Å
435	L	93.6	Very high	92.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124	172.6	177.1	72.2	0	0	0	109.1	H330 T331 T352 D359 L361 L376 F437	H330-L435 VanDerWaalsContact CA-O 3.29Å; H330-L435 WeakPolarHBondContact CA-O 3.49Å; T331-L435 PolarHBondContact N-O 2.82Å; T331-L435 PolarHBondContact O-N 2.81Å; T352-L435 HydrophobicContact CG2-CD2 4.35Å; D359-L435 HydrophobicContact CB-CD1 4.15Å; L361-L435 HydrophobicContact CB-CD2 3.79Å; L376-L435 HydrophobicContact CD2-CB 3.95Å; L376-L435 HydrophobicContact CD2-CD1 3.76Å; L435-F437 HydrophobicContact CD2-CD1 4.06Å; L435-F437 HydrophobicContact CD2-CE1 4.37Å; L435-F437 HydrophobicContact CG-CD1 4.15Å
436	E	92.3	Very high	92	Very high	17 Å²	17	27.6 Å²	27.6	8%	0.079	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	136.3	165	-177.1	-173.7	98.5	0	0	110.7	V328 M329 H330 S354 D359	V328-E436 HydrophobicContact CG2-CG 3.78Å; M329-E436 WeakPolarHBondContact O-CA 3.41Å; H330-E436 IonicContact CE1-OE2 3.47Å; H330-E436 PolarHBondContact CE1-OE2 2.76Å; S354-E436 WeakPolarHBondContact CB-OE1 3.36Å; S354-E436 PolarHBondContact OG-OE1 3.34Å; D359-E436 HydrophobicContact CB-CB 4.48Å; D359-E436 WeakPolarHBondContact CB-O 3.32Å; D359-E436 WeakPolarHBondContact OD2-CB 3.4Å; D359-E436 PolarHBondContact OD2-N 2.73Å; D359-E436 VanDerWaalsContact OD2-N 3.12Å
437	F	95.3	Very high	91.9	Very high	2 Å²	2	28 Å²	28	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	153.1	166.7	64.5	-80.6	0	0	0	113.8	M325 M329 T331 T352 L435 I440 F467	M325-F437 HydrophobicContact CG-CD2 4.11Å; M325-F437 HydrophobicContact CG-CE2 3.93Å; M325-F437 HydrophobicContact SD-CE2 4.3Å; M329-F437 HydrophobicContact CB-CD1 3.87Å; M329-F437 HydrophobicContact CB-CD2 4.03Å; M329-F437 HydrophobicContact CB-CE1 3.54Å; M329-F437 HydrophobicContact CB-CE2 3.7Å; M329-F437 HydrophobicContact CB-CG 4.11Å; M329-F437 HydrophobicContact CB-CZ 3.45Å; M329-F437 VanDerWaalsContact CB-CZ 3.45Å; M329-F437 HydrophobicContact CG-CD2 4.37Å; M329-F437 HydrophobicContact CG-CE1 4.46Å; M329-F437 HydrophobicContact CG-CE2 3.82Å; M329-F437 HydrophobicContact CG-CZ 3.87Å; M329-F437 PolarHBondContact N-O 2.86Å; M329-F437 PolarHBondContact O-N 2.98Å; T331-F437 HydrophobicContact CG2-CE1 4.1Å; T352-F437 HydrophobicContact CG2-CB 4.47Å; T352-F437 HydrophobicContact CG2-CD1 4.29Å; T352-F437 HydrophobicContact CG2-CD2 4.17Å; T352-F437 HydrophobicContact CG2-CE2 4.47Å; T352-F437 HydrophobicContact CG2-CG 4.08Å; L435-F437 HydrophobicContact CD2-CD1 4.06Å; L435-F437 HydrophobicContact CD2-CE1 4.37Å; L435-F437 HydrophobicContact CG-CD1 4.15Å; F437-I440 HydrophobicContact CD2-CG1 4.23Å; F437-I440 HydrophobicContact CE2-CD1 4.16Å; F437-I440 HydrophobicContact CE2-CG1 3.93Å; F437-F467 HydrophobicContact CE1-CZ 4.4Å; F437-F467 AromaticContact CZ-CE1 3.84Å; F437-F467 HydrophobicContact CZ-CE1 3.84Å; F437-F467 AromaticContact CZ-CZ 3.99Å; F437-F467 HydrophobicContact CZ-CZ 3.99Å
438	H	96.2	Very high	91.6	Very high	11 Å²	11	28.8 Å²	28.8	5%	0.051	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-26.4	178.6	-77.8	103.6	0	0	0	112.2	M325 T353 S354 R355 D356	M325-H438 PolarHBondContact N-O 3.05Å; T353-H438 PolarHBondContact O-N 2.96Å; S354-H438 PolarHBondContact OG-ND1 2.82Å; R355-H438 HydrophobicContact CG-CB 4.18Å; R355-H438 PolarHBondContact N-ND1 2.98Å; R355-H438 PolarHBondContact NH2-CD2 2.83Å; R355-H438 PolarHBondContact NH2-NE2 3.47Å; D356-H438 IonicContact OD2-CE1 3.2Å
439	N	97.6	Very high	91.4	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.011	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	155.2	-179.7	-26.5	-88.9	0	0	0	111.4	K322 V323 T352 T353 E441	K322-N439 VanDerWaalsContact CE-CG 3.42Å; K322-N439 VanDerWaalsContact CE-OD1 3.22Å; K322-N439 WeakPolarHBondContact CE-OD1 3.22Å; K322-N439 HydrophobicContact CG-CB 4.14Å; V323-N439 CarbonylContact O-C 3.56Å; V323-N439 WeakPolarHBondContact O-CA 3.16Å; V323-N439 WeakPolarHBondContact O-CB 3.45Å; T352-N439 WeakPolarHBondContact CA-O 3.41Å; T353-N439 PolarHBondContact N-O 2.84Å; T353-N439 PolarHBondContact O-N 2.73Å; T353-N439 PolarHBondContact OG1-ND2 3.3Å; N439-E441 HydrophobicContact CB-CG 3.95Å
440	I	98.5	Very high	91.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	120	162.4	-57.4	168.9	0	0	0	106.6	K322 V323 M325 V350 A351 F437 L465 F467 Y472	K322-I440 WeakPolarHBondContact CA-O 3.47Å; V323-I440 HydrophobicContact CB-CB 4.3Å; V323-I440 PolarHBondContact N-O 2.89Å; V323-I440 PolarHBondContact O-N 2.86Å; M325-I440 HydrophobicContact SD-CD1 4.27Å; V350-I440 HydrophobicContact CG1-CG2 4.08Å; A351-I440 CarbonylContact O-C 3.31Å; A351-I440 WeakPolarHBondContact O-CA 3.42Å; F437-I440 HydrophobicContact CD2-CG1 4.23Å; F437-I440 HydrophobicContact CE2-CD1 4.16Å; F437-I440 HydrophobicContact CE2-CG1 3.93Å; I440-L465 HydrophobicContact CG2-CD2 4.49Å; I440-F467 HydrophobicContact CD1-CB 4.24Å; I440-F467 HydrophobicContact CD1-CD1 4.01Å; I440-F467 HydrophobicContact CD1-CD2 3.97Å; I440-F467 HydrophobicContact CD1-CE1 4.38Å; I440-F467 HydrophobicContact CD1-CE2 4.33Å; I440-F467 HydrophobicContact CD1-CG 3.82Å; I440-Y472 HydrophobicContact CD1-CD2 4.06Å; I440-Y472 HydrophobicContact CD1-CE2 3.5Å
441	E	98.1	Very high	91.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	144.4	-170.6	-59.3	-165.7	-125.6	0	0	111.9	M321 K322 V350 A351 T353 N439 T446 E447	M321-E441 WeakPolarHBondContact O-CA 3.28Å; K322-E441 HydrophobicContact CB-CG 4.23Å; K322-E441 HydrophobicContact CD-CG 4.46Å; K322-E441 HydrophobicContact CG-CG 3.97Å; V350-E441 CarbonylContact C-O 3.49Å; V350-E441 WeakPolarHBondContact CA-O 3.19Å; A351-E441 PolarHBondContact N-O 3.26Å; A351-E441 PolarHBondContact O-N 2.97Å; T353-E441 HydrophobicContact CG2-CG 4.43Å; T353-E441 WeakPolarHBondContact CG2-OE1 3.31Å; T353-E441 PolarHBondContact OG1-OE1 3.25Å; N439-E441 HydrophobicContact CB-CG 3.95Å; E441-T446 WeakPolarHBondContact OE2-CA 3.39Å; E441-T446 VanDerWaalsContact OE2-CB 3.27Å; E441-T446 WeakPolarHBondContact OE2-CB 3.41Å; E441-T446 PolarHBondContact OE2-N 3.19Å; E441-T446 PolarHBondContact OE2-OG1 3.11Å; E441-E447 WeakPolarHBondContact OE1-CB 3.37Å; E441-E447 PolarHBondContact OE1-N 3.1Å
442	T	98.5	Very high	91.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	151.5	178.2	60.2	0	0	0	0	110	Y315 Y320 M321 L349 V350 I444 L462 L465	Y315-T442 PolarHBondContact OH-OG1 2.76Å; Y320-T442 VanDerWaalsContact CA-O 3.27Å; Y320-T442 WeakPolarHBondContact CA-O 3.49Å; Y320-T442 WeakPolarHBondContact CB-O 3.46Å; M321-T442 WeakPolarHBondContact CB-OG1 3.36Å; M321-T442 HydrophobicContact CE-CG2 4.28Å; M321-T442 PolarHBondContact N-O 3.05Å; M321-T442 VanDerWaalsContact N-O 3.07Å; M321-T442 PolarHBondContact O-N 3.26Å; M321-T442 PolarHBondContact O-OG1 2.89Å; L349-T442 WeakPolarHBondContact O-CB 3.42Å; L349-T442 VanDerWaalsContact O-CG2 3.3Å; L349-T442 WeakPolarHBondContact O-CG2 3.38Å; V350-T442 HydrophobicContact CB-CG2 4.45Å; V350-T442 HydrophobicContact CG1-CG2 4.44Å; V350-T442 HydrophobicContact CG2-CG2 4.08Å; T442-I444 VanDerWaalsContact C-N 3.31Å; T442-I444 PolarHBondContact O-N 2.88Å; T442-I444 VanDerWaalsContact O-N 3.13Å; T442-L462 HydrophobicContact CG2-CD1 3.96Å; T442-L465 HydrophobicContact CG2-CD2 3.84Å
443	G	96.1	Very high	90.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	86	-68.1	-178	0	0	0	0	0	112.1	M319 S457 F458	M319-G443 CarbonylContact O-C 3.56Å; M319-G443 WeakPolarHBondContact O-CA 3.33Å; G443-S457 CarbonylContact O-C 3.58Å; G443-S457 VanDerWaalsContact O-CA 3.22Å; G443-S457 WeakPolarHBondContact O-CA 3.44Å; G443-F458 PolarHBondContact O-N 2.92Å
444	I	94.3	Very high	90.7	Very high	46 Å²	46	42.7 Å²	42.7	24%	0.236	21%	0.214	C	C	.	.	S	Bend	trans	-132.3	138.8	175.5	-60.1	169.9	0	0	0	108.9	S318 T442 T446	S318-I444 VanDerWaalsContact C-CD1 3.43Å; S318-I444 WeakPolarHBondContact O-CD1 3.4Å; T442-I444 VanDerWaalsContact C-N 3.31Å; T442-I444 PolarHBondContact O-N 2.88Å; T442-I444 VanDerWaalsContact O-N 3.13Å; I444-T446 PolarHBondContact O-N 3.14Å
445	M	93.5	Very high	90.6	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.02	21%	0.211	C	C	.	.			trans	-83.6	101.2	170.2	-161.6	172.7	78.7	0	0	109	L348 A351 T353 E447 K448 I451 V454	L348-M445 HydrophobicContact CD2-CB 3.78Å; A351-M445 HydrophobicContact CB-SD 4.45Å; T353-M445 HydrophobicContact CG2-CG 3.69Å; T353-M445 HydrophobicContact CG2-SD 4.18Å; M445-E447 WeakPolarHBondContact CG-O 3.11Å; M445-K448 HydrophobicContact CE-CB 3.94Å; M445-I451 HydrophobicContact CE-CB 3.85Å; M445-I451 HydrophobicContact CE-CD1 3.61Å; M445-I451 HydrophobicContact CE-CG1 4.31Å; M445-I451 HydrophobicContact CE-CG2 3.58Å; M445-I451 HydrophobicContact SD-CD1 3.76Å; M445-V454 HydrophobicContact CB-CG1 4.2Å; M445-V454 HydrophobicContact CE-CB 4.06Å; M445-V454 HydrophobicContact CE-CG1 3.77Å; M445-V454 HydrophobicContact CE-CG2 3.66Å
446	T	93.8	Very high	90.6	Very high	45 Å²	45	42.6 Å²	42.6	28%	0.276	22%	0.221	S	C	.	.			trans	-81.2	-41.8	-176.8	68.7	0	0	0	0	111.8	Y320 K322 E441 I444	Y320-T446 HydrophobicContact CD1-CG2 3.97Å; Y320-T446 HydrophobicContact CD2-CG2 4.11Å; Y320-T446 HydrophobicContact CE1-CG2 4.06Å; Y320-T446 HydrophobicContact CE2-CG2 4.22Å; Y320-T446 HydrophobicContact CG-CG2 3.99Å; K322-T446 WeakPolarHBondContact CD-OG1 3.04Å; K322-T446 WeakPolarHBondContact CE-OG1 2.99Å; K322-T446 PolarHBondContact NZ-OG1 3.12Å; E441-T446 WeakPolarHBondContact OE2-CA 3.39Å; E441-T446 VanDerWaalsContact OE2-CB 3.27Å; E441-T446 WeakPolarHBondContact OE2-CB 3.41Å; E441-T446 PolarHBondContact OE2-N 3.19Å; E441-T446 PolarHBondContact OE2-OG1 3.11Å; I444-T446 PolarHBondContact O-N 3.14Å
447	E	91.9	Very high	90.7	Very high	27 Å²	27	43.2 Å²	43.2	13%	0.126	23%	0.227	C	C	.	.			trans	-84.4	117.7	170.5	-176.9	53.4	-89.9	0	0	110.1	S354 R355 E441 M445 R449	S354-E447 WeakPolarHBondContact O-CG 3.06Å; R355-E447 HydrophobicContact CG-CG 4.36Å; E441-E447 WeakPolarHBondContact OE1-CB 3.37Å; E441-E447 PolarHBondContact OE1-N 3.1Å; M445-E447 WeakPolarHBondContact CG-O 3.11Å; E447-R449 VanDerWaalsContact OE1-CB 3.26Å; E447-R449 WeakPolarHBondContact OE1-CB 3.11Å; E447-R449 PolarHBondContact OE1-N 3.45Å
448	K	86.9	Confident	90.8	Very high	118 Å²	118	43.1 Å²	43.1	51%	0.513	23%	0.227	S	C	.	.			trans	-147.1	13.1	-173.1	61.2	-178.2	172.9	-174.2	0	113.3	M445 Y450 I451 V454	M445-K448 HydrophobicContact CE-CB 3.94Å; K448-Y450 PolarHBondContact O-N 3.3Å; K448-Y450 VanDerWaalsContact O-N 3.09Å; K448-I451 PolarHBondContact O-N 2.74Å; K448-I451 VanDerWaalsContact O-N 3.11Å; K448-V454 HydrophobicContact CB-CG2 4.08Å; K448-V454 HydrophobicContact CD-CG2 4.02Å
449	R	87.3	Confident	90.8	Very high	160 Å²	160	43.1 Å²	43.1	60%	0.604	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-36.3	-174.1	-176.3	-177.8	-62.5	168	-0.7	114.2	R355 E447	R355-R449 PolarHBondContact O-NH1 2.93Å; E447-R449 VanDerWaalsContact OE1-CB 3.26Å; E447-R449 WeakPolarHBondContact OE1-CB 3.11Å; E447-R449 PolarHBondContact OE1-N 3.45Å
450	Y	83.3	Confident	90.8	Very high	101 Å²	101	43.2 Å²	43.2	40%	0.396	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	1.8	-178.3	-59.9	-70.5	0	0	0	113.9	R355 D356 A358 K448	R355-Y450 WeakPolarHBondContact O-CE2 3.45Å; D356-Y450 VanDerWaalsContact C-CE2 3.42Å; D356-Y450 WeakPolarHBondContact O-CE2 3.46Å; A358-Y450 WeakPolarHBondContact CB-O 3.49Å; K448-Y450 PolarHBondContact O-N 3.3Å; K448-Y450 VanDerWaalsContact O-N 3.09Å
451	I	79.4	Confident	90.8	Very high	26 Å²	26	43.7 Å²	43.7	13%	0.133	23%	0.23	C	C	.	.			trans	-100.4	112.7	-175.6	-60.6	172.4	0	0	0	109.3	M445 K448 V453	M445-I451 HydrophobicContact CE-CB 3.85Å; M445-I451 HydrophobicContact CE-CD1 3.61Å; M445-I451 HydrophobicContact CE-CG1 4.31Å; M445-I451 HydrophobicContact CE-CG2 3.58Å; M445-I451 HydrophobicContact SD-CD1 3.76Å; K448-I451 PolarHBondContact O-N 2.74Å; K448-I451 VanDerWaalsContact O-N 3.11Å; I451-V453 WeakPolarHBondContact CG2-O 3Å
452	S	71.9	Confident	90.8	Very high	121 Å²	121	43.7 Å²	43.7	85%	0.846	23%	0.231	S	C	*	.	S	Bend	trans	-75.8	-27.8	-175.1	55.7	0	0	0	0	114.6
453	V	79.2	Confident	90.8	Very high	102 Å²	102	44 Å²	44	62%	0.618	23%	0.232	S	C	*	.			trans	-125.5	111.1	179.4	-177.7	0	0	0	0	109	I451	I451-V453 WeakPolarHBondContact CG2-O 3Å
454	V	85.4	Confident	90.9	Very high	61 Å²	61	44.7 Å²	44.7	37%	0.37	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-98.7	126.6	178.9	-176.3	0	0	0	0	108.6	M445 K448	M445-V454 HydrophobicContact CB-CG1 4.2Å; M445-V454 HydrophobicContact CE-CB 4.06Å; M445-V454 HydrophobicContact CE-CG1 3.77Å; M445-V454 HydrophobicContact CE-CG2 3.66Å; K448-V454 HydrophobicContact CB-CG2 4.08Å; K448-V454 HydrophobicContact CD-CG2 4.02Å
455	P	90.3	Very high	91.1	Very high	23 Å²	23	42.5 Å²	42.5	15%	0.149	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-64.1	155.5	172.2	26.3	-33.8	0	0	0	111.4	L348 E364	L348-P455 HydrophobicContact CB-CB 4.44Å; L348-P455 HydrophobicContact CB-CG 4.01Å; L348-P455 HydrophobicContact CD1-CG 3.88Å; L348-P455 HydrophobicContact CG-CG 4.4Å; E364-P455 HydrophobicContact CB-CB 4.38Å; E364-P455 WeakPolarHBondContact OE2-CB 3.42Å
456	S	92.5	Very high	91.3	Very high	29 Å²	29	45 Å²	45	20%	0.203	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-60.5	149.5	174.9	77.8	0	0	0	0	111.5	R344 G347 L348 G653	R344-S456 PolarHBondContact NH1-OG 2.91Å; R344-S456 PolarHBondContact NH2-OG 3.01Å; R344-S456 VanDerWaalsContact NH2-OG 3.11Å; G347-S456 CarbonylContact C-O 3.57Å; G347-S456 WeakPolarHBondContact CA-O 2.99Å; L348-S456 PolarHBondContact N-O 3.16Å; S456-G653 WeakPolarHBondContact CB-O 3.25Å; S456-G653 PolarHBondContact OG-O 2.77Å
457	S	95.3	Very high	91.5	Very high	30 Å²	30	43.2 Å²	43.2	21%	0.21	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-53.4	151.9	172.2	-41.6	0	0	0	0	111.6	G317 R344 G443	G317-S457 WeakPolarHBondContact O-CB 3.45Å; G317-S457 PolarHBondContact O-OG 3.2Å; R344-S457 PolarHBondContact NH1-O 3.34Å; G443-S457 CarbonylContact O-C 3.58Å; G443-S457 VanDerWaalsContact O-CA 3.22Å; G443-S457 WeakPolarHBondContact O-CA 3.44Å
458	F	97.4	Very high	91.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-89.9	140.1	177.5	174.7	-108	0	0	0	112.6	Y315 G317 F340 L348 L349 L365 G443 G460 L462	Y315-F458 WeakPolarHBondContact CB-O 3.3Å; Y315-F458 AromaticContact CD2-CD1 3.8Å; Y315-F458 HydrophobicContact CD2-CD1 3.8Å; Y315-F458 AromaticContact CD2-CE1 3.94Å; Y315-F458 HydrophobicContact CD2-CE1 3.94Å; Y315-F458 AromaticContact CG-CD1 3.94Å; Y315-F458 HydrophobicContact CG-CD1 3.94Å; G317-F458 WeakPolarHBondContact CA-O 3.03Å; G317-F458 PolarHBondContact N-O 3.43Å; F340-F458 HydrophobicContact CB-CZ 4.4Å; L348-F458 WeakPolarHBondContact O-CB 3.06Å; L349-F458 HydrophobicContact CD2-CD2 3.84Å; L349-F458 HydrophobicContact CD2-CE2 3.56Å; L349-F458 HydrophobicContact CD2-CZ 4.12Å; L365-F458 HydrophobicContact CD1-CE2 4.23Å; G443-F458 PolarHBondContact O-N 2.92Å; F458-G460 VanDerWaalsContact CE1-C 3.48Å; F458-L462 HydrophobicContact CD1-CG 4.41Å; F458-L462 HydrophobicContact CE1-CD2 3.87Å; F458-L462 HydrophobicContact CE1-CG 3.89Å; F458-L462 HydrophobicContact CZ-CD2 4.05Å
459	I	95.9	Very high	91.9	Very high	10 Å²	10	39.3 Å²	39.3	5%	0.051	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	122.7	170.9	-50.8	-165.6	0	0	0	106.9	Y315 S342 R344 I495 A497 L655	Y315-I459 WeakPolarHBondContact O-CA 3.29Å; S342-I459 WeakPolarHBondContact CB-O 3.08Å; S342-I459 PolarHBondContact OG-O 2.85Å; R344-I459 HydrophobicContact CG-CB 4.45Å; I459-I495 HydrophobicContact CG2-CB 4.49Å; I459-I495 HydrophobicContact CG2-CG2 3.67Å; I459-A497 HydrophobicContact CD1-CB 3.8Å; I459-L655 HydrophobicContact CD1-CD1 4.05Å; I459-L655 HydrophobicContact CD1-CD2 3.8Å; I459-L655 HydrophobicContact CG1-CD1 4.22Å
460	G	97	Very high	92.2	Very high	4 Å²	4	34.9 Å²	34.9	4%	0.041	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.4	-154.2	-175.1	0	0	0	0	0	112.6	Y315 M341 F458 I495	Y315-G460 PolarHBondContact N-O 3.39Å; Y315-G460 PolarHBondContact O-N 2.74Å; M341-G460 CarbonylContact O-C 3.49Å; M341-G460 VanDerWaalsContact O-CA 3.29Å; M341-G460 WeakPolarHBondContact O-CA 3.37Å; F458-G460 VanDerWaalsContact CE1-C 3.48Å; G460-I495 WeakPolarHBondContact O-CD1 3.37Å
461	H	98.6	Very high	92.8	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.046	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142.9	-176.5	-50.5	-69.9	0	0	0	111.5	I312 L313 S314 F340 M341 W403 L492 R493 I495	I312-H461 HydrophobicContact CG2-CB 4.08Å; L313-H461 CarbonylContact O-C 3.57Å; L313-H461 WeakPolarHBondContact O-CA 3.47Å; S314-H461 PolarHBondContact OG-CE1 3.1Å; S314-H461 VanDerWaalsContact OG-CE1 3.26Å; S314-H461 PolarHBondContact OG-ND1 2.9Å; F340-H461 CarbonylContact C-O 3.57Å; F340-H461 VanDerWaalsContact CA-O 3.24Å; F340-H461 WeakPolarHBondContact CA-O 3.37Å; M341-H461 HydrophobicContact CB-CB 4.41Å; M341-H461 PolarHBondContact N-O 2.91Å; M341-H461 PolarHBondContact O-N 2.04Å; W403-H461 HydrophobicContact CH2-CB 3.71Å; W403-H461 HydrophobicContact CZ2-CB 4.29Å; W403-H461 HydrophobicContact CZ3-CB 4.37Å; H461-L492 HydrophobicContact CB-CD1 4.49Å; H461-R493 PolarHBondContact CE1-O 3.01Å; H461-R493 PolarHBondContact NE2-O 2.84Å; H461-I495 WeakPolarHBondContact CE1-CD1 3.14Å
462	L	98.7	Very high	93.7	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	149.4	165.9	-59.6	-179.4	0	0	0	109.8	L313 Y315 F338 R339 F340 L349 T442 F458 I473	L313-L462 PolarHBondContact N-O 3.32Å; L313-L462 PolarHBondContact O-N 2.75Å; Y315-L462 HydrophobicContact CD2-CG 4.36Å; Y315-L462 HydrophobicContact CE2-CB 3.95Å; Y315-L462 HydrophobicContact CE2-CD1 3.8Å; Y315-L462 HydrophobicContact CE2-CG 3.7Å; F338-L462 HydrophobicContact CD2-CD2 4.15Å; F338-L462 HydrophobicContact CE2-CD2 4.34Å; R339-L462 CarbonylContact O-C 3.55Å; R339-L462 WeakPolarHBondContact O-CA 3.09Å; F340-L462 HydrophobicContact CB-CD2 3.55Å; L349-L462 HydrophobicContact CD2-CD2 4.17Å; L349-L462 WeakPolarHBondContact O-CD1 3.31Å; T442-L462 HydrophobicContact CG2-CD1 3.96Å; F458-L462 HydrophobicContact CD1-CG 4.41Å; F458-L462 HydrophobicContact CE1-CD2 3.87Å; F458-L462 HydrophobicContact CE1-CG 3.89Å; F458-L462 HydrophobicContact CZ-CD2 4.05Å; L462-I473 HydrophobicContact CB-CD1 4.14Å
463	Q	98.5	Very high	94.9	Very high	7 Å²	7	24 Å²	24	3%	0.033	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	152	175.6	-165.5	-170.6	32.3	0	0	109.7	G300 A310 I312 R339 W403 L465	G300-Q463 VanDerWaalsContact CA-OE1 3.24Å; G300-Q463 PolarHBondContact O-NE2 2.91Å; A310-Q463 HydrophobicContact CB-CG 4.03Å; A310-Q463 PolarHBondContact O-NE2 3.32Å; I312-Q463 HydrophobicContact CG1-CB 4.31Å; I312-Q463 HydrophobicContact CG1-CG 3.9Å; R339-Q463 HydrophobicContact CB-CB 4.31Å; R339-Q463 PolarHBondContact N-O 3.12Å; R339-Q463 PolarHBondContact O-N 3.23Å; W403-Q463 HydrophobicContact CH2-CB 3.69Å; W403-Q463 HydrophobicContact CZ3-CB 3.76Å; Q463-L465 PolarHBondContact O-N 3.14Å
464	S	97.4	Very high	95.8	Very high	13 Å²	13	19.3 Å²	19.3	9%	0.091	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.9	40.3	169.7	-50.1	0	0	0	0	115.3	A310 S337 M466	A310-S464 WeakPolarHBondContact CB-OG 3.33Å; S337-S464 VanDerWaalsContact O-O 3.14Å; S464-M466 PolarHBondContact O-N 3.42Å
465	L	98.4	Very high	96.3	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	99.1	176.2	179.8	62.6	0	0	0	111.1	M321 V336 S337 F338 V350 I440 T442 Q463 L471 Y472 I473	M321-L465 HydrophobicContact CE-CD2 3.84Å; V336-L465 HydrophobicContact CG1-CD1 4.46Å; S337-L465 WeakPolarHBondContact O-CA 3.32Å; F338-L465 HydrophobicContact CB-CB 4.36Å; F338-L465 HydrophobicContact CB-CD1 4Å; F338-L465 HydrophobicContact CD1-CD1 4.01Å; F338-L465 HydrophobicContact CG-CD1 4.33Å; V350-L465 HydrophobicContact CG1-CD1 4.28Å; V350-L465 HydrophobicContact CG2-CD1 3.72Å; I440-L465 HydrophobicContact CG2-CD2 4.49Å; T442-L465 HydrophobicContact CG2-CD2 3.84Å; Q463-L465 PolarHBondContact O-N 3.14Å; L465-L471 CarbonylContact O-C 3.56Å; L465-L471 WeakPolarHBondContact O-CA 3.29Å; L465-Y472 PolarHBondContact O-N 3.37Å; L465-I473 HydrophobicContact CB-CD1 3.69Å; L465-I473 HydrophobicContact CB-CG1 3.85Å
466	M	97.9	Very high	96.5	Very high	57 Å²	57	18 Å²	18	28%	0.281	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.7	174	-169.3	82.9	77.2	0	0	109.1	V336 S337 S464 L470 L471	V336-M466 CarbonylContact C-O 3.56Å; V336-M466 WeakPolarHBondContact CA-O 3.36Å; S337-M466 PolarHBondContact N-O 2.94Å; S337-M466 PolarHBondContact O-N 2.87Å; S464-M466 PolarHBondContact O-N 3.42Å; M466-L470 CarbonylContact C-O 3.53Å; M466-L470 VanDerWaalsContact CA-O 3.31Å; M466-L470 WeakPolarHBondContact CA-O 3.47Å; M466-L471 HydrophobicContact CB-CD1 4.3Å; M466-L471 HydrophobicContact CE-CD1 4.11Å; M466-L471 HydrophobicContact SD-CB 4.26Å; M466-L471 HydrophobicContact SD-CD1 4.26Å
467	F	97.5	Very high	96.4	Very high	6 Å²	6	21.8 Å²	21.8	3%	0.026	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	118.4	173	-167.9	-66.4	0	0	0	108.5	E334 D335 V336 T352 F437 I440 G469 L470 Y472	E334-F467 HydrophobicContact CB-CZ 4.43Å; E334-F467 HydrophobicContact CG-CE1 4.46Å; E334-F467 HydrophobicContact CG-CZ 4.2Å; D335-F467 WeakPolarHBondContact O-CA 3.31Å; V336-F467 HydrophobicContact CB-CD2 4.33Å; V336-F467 HydrophobicContact CG1-CD2 3.97Å; V336-F467 HydrophobicContact CG2-CD2 3.52Å; V336-F467 HydrophobicContact CG2-CE2 3.55Å; V336-F467 HydrophobicContact CG2-CG 4.2Å; V336-F467 HydrophobicContact CG2-CZ 4.23Å; T352-F467 HydrophobicContact CG2-CE2 3.67Å; T352-F467 HydrophobicContact CG2-CZ 3.78Å; F437-F467 HydrophobicContact CE1-CZ 4.4Å; F437-F467 AromaticContact CZ-CE1 3.84Å; F437-F467 HydrophobicContact CZ-CE1 3.84Å; F437-F467 AromaticContact CZ-CZ 3.99Å; F437-F467 HydrophobicContact CZ-CZ 3.99Å; I440-F467 HydrophobicContact CD1-CB 4.24Å; I440-F467 HydrophobicContact CD1-CD1 4.01Å; I440-F467 HydrophobicContact CD1-CD2 3.97Å; I440-F467 HydrophobicContact CD1-CE1 4.38Å; I440-F467 HydrophobicContact CD1-CE2 4.33Å; I440-F467 HydrophobicContact CD1-CG 3.82Å; F467-G469 PolarHBondContact O-N 2.86Å; F467-L470 PolarHBondContact N-O 2.04Å; F467-L470 PolarHBondContact O-N 3.1Å; F467-Y472 HydrophobicContact CB-CD2 4.04Å; F467-Y472 HydrophobicContact CB-CE2 3.93Å
468	N	95.4	Very high	96.2	Very high	11 Å²	11	23.8 Å²	23.8	6%	0.059	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	40.2	-175.2	-66	11.2	0	0	0	113.7	M229 N231 E334 D335	M229-N468 PolarHBondContact O-ND2 3.34Å; N231-N468 PolarHBondContact ND2-O 3.21Å; E334-N468 VanDerWaalsContact CA-OD1 3.27Å; E334-N468 WeakPolarHBondContact CA-OD1 3.48Å; D335-N468 PolarHBondContact N-OD1 3.41Å; D335-N468 PolarHBondContact O-N 2.61Å
469	G	92.2	Very high	95.8	Very high	52 Å²	52	26.6 Å²	26.6	54%	0.536	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-1.4	179.5	0	0	0	0	0	115.9	F467	F467-G469 PolarHBondContact O-N 2.86Å
470	L	93.8	Very high	95.5	Very high	67 Å²	67	30.7 Å²	30.7	35%	0.351	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.9	177.6	-61.5	178.4	0	0	0	111.6	M466 F467 Y472 L475	M466-L470 CarbonylContact C-O 3.53Å; M466-L470 VanDerWaalsContact CA-O 3.31Å; M466-L470 WeakPolarHBondContact CA-O 3.47Å; F467-L470 PolarHBondContact N-O 2.04Å; F467-L470 PolarHBondContact O-N 3.1Å; L470-Y472 HydrophobicContact CB-CD2 4.44Å; L470-Y472 HydrophobicContact CB-CE1 4.46Å; L470-Y472 HydrophobicContact CB-CE2 4.01Å; L470-Y472 PolarHBondContact O-N 2.92Å; L470-L475 HydrophobicContact CB-CD1 4.11Å
471	L	96.4	Very high	95.2	Very high	15 Å²	15	31.7 Å²	31.7	8%	0.079	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	75.1	-174	-166.9	67.8	0	0	0	111.5	W302 L465 M466 I473 D474 L475	W302-L471 HydrophobicContact CB-CD2 3.67Å; W302-L471 HydrophobicContact CD2-CD2 3.54Å; W302-L471 HydrophobicContact CE3-CD2 3.96Å; W302-L471 HydrophobicContact CG-CD2 3.44Å; W302-L471 VanDerWaalsContact CG-CD2 3.44Å; L465-L471 CarbonylContact O-C 3.56Å; L465-L471 WeakPolarHBondContact O-CA 3.29Å; M466-L471 HydrophobicContact CB-CD1 4.3Å; M466-L471 HydrophobicContact CE-CD1 4.11Å; M466-L471 HydrophobicContact SD-CB 4.26Å; M466-L471 HydrophobicContact SD-CD1 4.26Å; L471-I473 PolarHBondContact O-N 2.75Å; L471-D474 HydrophobicContact CD2-CB 3.92Å; L471-D474 WeakPolarHBondContact CD2-OD2 3.46Å; L471-D474 HydrophobicContact CG-CB 4.14Å; L471-D474 PolarHBondContact O-N 2.75Å; L471-D474 VanDerWaalsContact O-N 3.16Å; L471-L475 WeakPolarHBondContact O-CG 3.45Å; L471-L475 PolarHBondContact O-N 2.81Å
472	Y	97.9	Very high	94.8	Very high	6 Å²	6	38.5 Å²	38.5	2%	0.024	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-37.4	-162.9	-79.7	-64.5	0	0	0	116	V323 I440 L465 F467 L470 D474 L475 C476 I481 Y483	V323-Y472 HydrophobicContact CB-CD1 4.35Å; V323-Y472 HydrophobicContact CG1-CD1 3.75Å; V323-Y472 HydrophobicContact CG1-CE1 3.58Å; V323-Y472 HydrophobicContact CG2-CD1 3.76Å; V323-Y472 HydrophobicContact CG2-CE1 4.43Å; V323-Y472 HydrophobicContact CG2-CG 3.92Å; I440-Y472 HydrophobicContact CD1-CD2 4.06Å; I440-Y472 HydrophobicContact CD1-CE2 3.5Å; L465-Y472 PolarHBondContact O-N 3.37Å; F467-Y472 HydrophobicContact CB-CD2 4.04Å; F467-Y472 HydrophobicContact CB-CE2 3.93Å; L470-Y472 HydrophobicContact CB-CD2 4.44Å; L470-Y472 HydrophobicContact CB-CE1 4.46Å; L470-Y472 HydrophobicContact CB-CE2 4.01Å; L470-Y472 PolarHBondContact O-N 2.92Å; Y472-D474 VanDerWaalsContact C-N 3.32Å; Y472-D474 PolarHBondContact O-N 3.14Å; Y472-L475 HydrophobicContact CD1-CD1 4.29Å; Y472-L475 PolarHBondContact O-N 3.16Å; Y472-C476 WeakPolarHBondContact O-CB 3.44Å; Y472-C476 PolarHBondContact O-N 2.82Å; Y472-C476 PolarHBondContact O-SG 3.32Å; Y472-I481 HydrophobicContact CD1-CD1 3.73Å; Y472-I481 HydrophobicContact CE1-CD1 4.03Å; Y472-Y483 HydrophobicContact CE1-CE2 4.49Å
473	I	98	Very high	94.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-41.9	179	-65.4	168.8	0	0	0	110.9	S311 L313 M321 L462 L465 L471 K477 F490	S311-I473 WeakPolarHBondContact O-CG2 3.44Å; L313-I473 HydrophobicContact CB-CD1 4.47Å; L313-I473 HydrophobicContact CB-CG2 4.05Å; L313-I473 HydrophobicContact CD2-CG1 4.36Å; L313-I473 HydrophobicContact CD2-CG2 4.31Å; M321-I473 HydrophobicContact CE-CG1 3.92Å; M321-I473 HydrophobicContact SD-CG1 4.06Å; L462-I473 HydrophobicContact CB-CD1 4.14Å; L465-I473 HydrophobicContact CB-CD1 3.69Å; L465-I473 HydrophobicContact CB-CG1 3.85Å; L471-I473 PolarHBondContact O-N 2.75Å; I473-K477 WeakPolarHBondContact O-CB 3.2Å; I473-K477 PolarHBondContact O-N 2.98Å; I473-F490 HydrophobicContact CG2-CE1 3.97Å
474	D	96.8	Very high	94.3	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-75.2	-39.3	179.4	-70.9	-84.9	0	0	0	111.6	W302 S311 L471 Y472 K477 N478	W302-D474 HydrophobicContact CZ2-CB 4.08Å; S311-D474 WeakPolarHBondContact CB-OD1 3.24Å; S311-D474 PolarHBondContact N-OD1 2.84Å; S311-D474 PolarHBondContact N-OD2 2.79Å; S311-D474 PolarHBondContact OG-OD1 3.23Å; L471-D474 HydrophobicContact CD2-CB 3.92Å; L471-D474 WeakPolarHBondContact CD2-OD2 3.46Å; L471-D474 HydrophobicContact CG-CB 4.14Å; L471-D474 PolarHBondContact O-N 2.75Å; L471-D474 VanDerWaalsContact O-N 3.16Å; Y472-D474 VanDerWaalsContact C-N 3.32Å; Y472-D474 PolarHBondContact O-N 3.14Å; D474-K477 PolarHBondContact O-N 2.9Å; D474-N478 WeakPolarHBondContact O-CB 3.36Å; D474-N478 PolarHBondContact O-N 2.58Å; D474-N478 PolarHBondContact O-ND2 3.32Å; D474-N478 VanDerWaalsContact O-ND2 3.17Å; D474-N478 PolarHBondContact O-OD1 3.09Å
475	L	95.8	Very high	94.2	Very high	35 Å²	35	46 Å²	46	18%	0.183	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-48.1	174.4	-67.7	170.4	0	0	0	111.9	L470 L471 Y472 K477 N478 G479 D480 I481	L470-L475 HydrophobicContact CB-CD1 4.11Å; L471-L475 WeakPolarHBondContact O-CG 3.45Å; L471-L475 PolarHBondContact O-N 2.81Å; Y472-L475 HydrophobicContact CD1-CD1 4.29Å; Y472-L475 PolarHBondContact O-N 3.16Å; L475-K477 VanDerWaalsContact C-N 3.31Å; L475-K477 PolarHBondContact O-N 3.09Å; L475-N478 PolarHBondContact O-N 3.1Å; L475-G479 PolarHBondContact O-N 2.91Å; L475-D480 HydrophobicContact CB-CB 4.33Å; L475-D480 HydrophobicContact CD2-CB 3.61Å; L475-D480 PolarHBondContact O-N 2.72Å; L475-D480 VanDerWaalsContact O-N 3.09Å; L475-I481 HydrophobicContact CB-CD1 3.69Å; L475-I481 HydrophobicContact CB-CG1 3.91Å; L475-I481 HydrophobicContact CD1-CD1 4.4Å
476	C	94.1	Very high	93.9	Very high	21 Å²	21	49.1 Å²	49.1	14%	0.142	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-36.1	176.5	-62.8	0	0	0	0	112.1	Y472 C484	Y472-C476 WeakPolarHBondContact O-CB 3.44Å; Y472-C476 PolarHBondContact O-N 2.82Å; Y472-C476 PolarHBondContact O-SG 3.32Å; C476-C484 HydrophobicContact CB-CB 3.69Å; C476-C484 WeakPolarHBondContact CB-SG 3.42Å; C476-C484 WeakPolarHBondContact SG-CB 3.27Å; C476-C484 CovalentContact SG-SG 2.04Å; C476-C484 PolarHBondContact SG-SG 2.55Å
477	K	92.4	Very high	93.6	Very high	108 Å²	108	52.5 Å²	52.5	47%	0.47	29%	0.29	S	S	.	.	H	α-helix	trans	-69.5	-41.3	-179.8	-174.1	-172.1	175	-166	0	112.7	S311 I473 D474 L475 G479 F490	S311-K477 WeakPolarHBondContact OG-CD 3.45Å; S311-K477 PolarHBondContact OG-NZ 2.65Å; I473-K477 WeakPolarHBondContact O-CB 3.2Å; I473-K477 PolarHBondContact O-N 2.98Å; D474-K477 PolarHBondContact O-N 2.9Å; L475-K477 VanDerWaalsContact C-N 3.31Å; L475-K477 PolarHBondContact O-N 3.09Å; K477-G479 VanDerWaalsContact C-N 3.28Å; K477-F490 HydrophobicContact CB-CD1 4.41Å; K477-F490 HydrophobicContact CB-CE1 3.63Å; K477-F490 HydrophobicContact CB-CE2 4.03Å; K477-F490 HydrophobicContact CB-CZ 3.42Å; K477-F490 VanDerWaalsContact CB-CZ 3.42Å; K477-F490 HydrophobicContact CD-CD1 4.12Å; K477-F490 HydrophobicContact CD-CE1 4.12Å; K477-F490 HydrophobicContact CG-CD1 4.18Å; K477-F490 HydrophobicContact CG-CD2 4.25Å; K477-F490 HydrophobicContact CG-CE1 3.89Å; K477-F490 HydrophobicContact CG-CE2 3.94Å; K477-F490 HydrophobicContact CG-CG 4.37Å; K477-F490 HydrophobicContact CG-CZ 3.77Å
478	N	90.4	Very high	93.4	Very high	73 Å²	73	52.6 Å²	52.6	39%	0.39	29%	0.292	S	S	.	.	H	α-helix	trans	-76.8	-17.8	-176.8	-61	-21	0	0	0	112.4	D474 L475 D480	D474-N478 WeakPolarHBondContact O-CB 3.36Å; D474-N478 PolarHBondContact O-N 2.58Å; D474-N478 PolarHBondContact O-ND2 3.32Å; D474-N478 VanDerWaalsContact O-ND2 3.17Å; D474-N478 PolarHBondContact O-OD1 3.09Å; L475-N478 PolarHBondContact O-N 3.1Å; N478-D480 VanDerWaalsContact C-N 3.32Å; N478-D480 WeakPolarHBondContact CB-OD2 3.43Å; N478-D480 PolarHBondContact ND2-OD2 2.88Å
479	G	88.4	Confident	93.2	Very high	58 Å²	58	58.8 Å²	58.8	60%	0.598	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	21.3	-167.5	0	0	0	0	0	112.9	L475 K477 I481	L475-G479 PolarHBondContact O-N 2.91Å; K477-G479 VanDerWaalsContact C-N 3.28Å; G479-I481 PolarHBondContact O-N 3.03Å
480	D	89.9	Confident	93.2	Very high	97 Å²	97	59.2 Å²	59.2	52%	0.519	30%	0.301	S	S	.	.	S	Bend	trans	-66.9	-18.7	175.5	-64	-39.3	0	0	0	111.5	L475 N478	L475-D480 HydrophobicContact CB-CB 4.33Å; L475-D480 HydrophobicContact CD2-CB 3.61Å; L475-D480 PolarHBondContact O-N 2.72Å; L475-D480 VanDerWaalsContact O-N 3.09Å; N478-D480 VanDerWaalsContact C-N 3.32Å; N478-D480 WeakPolarHBondContact CB-OD2 3.43Å; N478-D480 PolarHBondContact ND2-OD2 2.88Å
481	I	91.5	Very high	93	Very high	24 Å²	24	57.6 Å²	57.6	12%	0.123	30%	0.301	C	S	.	.			trans	-138.6	141.7	175.6	59.8	-179.1	0	0	0	109.7	Y472 L475 G479 Y483 C484	Y472-I481 HydrophobicContact CD1-CD1 3.73Å; Y472-I481 HydrophobicContact CE1-CD1 4.03Å; L475-I481 HydrophobicContact CB-CD1 3.69Å; L475-I481 HydrophobicContact CB-CG1 3.91Å; L475-I481 HydrophobicContact CD1-CD1 4.4Å; G479-I481 PolarHBondContact O-N 3.03Å; I481-Y483 HydrophobicContact CB-CD1 4.28Å; I481-Y483 HydrophobicContact CB-CE1 3.81Å; I481-Y483 HydrophobicContact CB-CE2 4.1Å; I481-Y483 HydrophobicContact CD1-CD2 4.43Å; I481-Y483 HydrophobicContact CD1-CE2 3.94Å; I481-Y483 HydrophobicContact CG2-CE1 3.95Å; I481-Y483 HydrophobicContact CG2-CE2 4.28Å; I481-Y483 WeakPolarHBondContact CG2-OH 3.33Å; I481-C484 WeakPolarHBondContact CD1-SG 3.28Å; I481-C484 VanDerWaalsContact CG1-SG 3.56Å
482	D	90.4	Very high	92.7	Very high	153 Å²	153	61.8 Å²	61.8	82%	0.818	32%	0.323	S	S	*	.	S	Bend	trans	-96.2	-14	-177.3	59.6	-16.6	0	0	0	113.6	C484	D482-C484 VanDerWaalsContact C-N 3.31Å; D482-C484 PolarHBondContact O-N 2.8Å
483	Y	92.7	Very high	92.2	Very high	67 Å²	67	66.4 Å²	66.4	26%	0.263	34%	0.341	S	S	.	.			trans	-90	38	-176.6	50.2	-96.3	0	0	0	114.5	V323 I324 P326 Y472 I481	V323-Y483 HydrophobicContact CG1-CD2 3.86Å; V323-Y483 HydrophobicContact CG1-CE2 3.96Å; I324-Y483 PolarHBondContact N-O 3.1Å; I324-Y483 VanDerWaalsContact O-CB 3.31Å; I324-Y483 WeakPolarHBondContact O-CB 3.48Å; I324-Y483 WeakPolarHBondContact O-CD2 3.22Å; P326-Y483 HydrophobicContact CG-CD1 3.58Å; P326-Y483 HydrophobicContact CG-CD2 4.25Å; P326-Y483 HydrophobicContact CG-CE1 3.57Å; P326-Y483 HydrophobicContact CG-CE2 4.22Å; P326-Y483 HydrophobicContact CG-CG 3.93Å; Y472-Y483 HydrophobicContact CE1-CE2 4.49Å; I481-Y483 HydrophobicContact CB-CD1 4.28Å; I481-Y483 HydrophobicContact CB-CE1 3.81Å; I481-Y483 HydrophobicContact CB-CE2 4.1Å; I481-Y483 HydrophobicContact CD1-CD2 4.43Å; I481-Y483 HydrophobicContact CD1-CE2 3.94Å; I481-Y483 HydrophobicContact CG2-CE1 3.95Å; I481-Y483 HydrophobicContact CG2-CE2 4.28Å; I481-Y483 WeakPolarHBondContact CG2-OH 3.33Å
484	C	93.9	Very high	91.7	Very high	33 Å²	33	74.3 Å²	74.3	22%	0.223	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.7	172.9	-61.3	0	0	0	0	112.3	C476 I481 D482	C476-C484 HydrophobicContact CB-CB 3.69Å; C476-C484 WeakPolarHBondContact CB-SG 3.42Å; C476-C484 WeakPolarHBondContact SG-CB 3.27Å; C476-C484 CovalentContact SG-SG 2.04Å; C476-C484 PolarHBondContact SG-SG 2.55Å; I481-C484 WeakPolarHBondContact CD1-SG 3.28Å; I481-C484 VanDerWaalsContact CG1-SG 3.56Å; D482-C484 VanDerWaalsContact C-N 3.31Å; D482-C484 PolarHBondContact O-N 2.8Å
485	E	95	Very high	91.3	Very high	78 Å²	78	75.4 Å²	75.4	36%	0.364	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.8	162.4	-67.5	-177.5	-168.6	0	0	110.2	Y320 M321 K322 I324	Y320-E485 HydrophobicContact CE2-CB 3.98Å; Y320-E485 PolarHBondContact OH-OE2 3.25Å; Y320-E485 VanDerWaalsContact OH-OE2 3.14Å; M321-E485 WeakPolarHBondContact CA-O 3.41Å; K322-E485 HydrophobicContact CB-CB 4.26Å; K322-E485 PolarHBondContact N-O 2.88Å; K322-E485 PolarHBondContact O-N 2.87Å; I324-E485 HydrophobicContact CD1-CG 4.12Å; I324-E485 WeakPolarHBondContact CD1-OE1 3.2Å
486	L	91	Very high	91.1	Very high	67 Å²	67	76.4 Å²	76.4	35%	0.351	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	122.4	-175.9	-170.4	70.6	0	0	0	112.2	L313 M321 A488 F490	L313-L486 HydrophobicContact CD1-CD1 4.1Å; L313-L486 HydrophobicContact CD2-CD1 3.79Å; M321-L486 HydrophobicContact CB-CD1 3.63Å; M321-L486 HydrophobicContact CG-CD1 3.72Å; M321-L486 HydrophobicContact SD-CD1 4.39Å; L486-A488 HydrophobicContact CD1-CB 4.13Å; L486-F490 HydrophobicContact CD2-CD2 4.1Å; L486-F490 HydrophobicContact CD2-CE2 3.31Å; L486-F490 HydrophobicContact CD2-CZ 3.65Å
487	K	92	Very high	91	Very high	129 Å²	129	75.7 Å²	75.7	56%	0.561	39%	0.389	S	S	*	.			trans	-112.9	-21.2	163.8	-65.1	-163.9	-176.1	-176.9	0	113.3	Y320	Y320-K487 HydrophobicContact CD1-CB 4.32Å; Y320-K487 HydrophobicContact CD1-CD 4.04Å; Y320-K487 HydrophobicContact CD1-CG 4.2Å; Y320-K487 HydrophobicContact CE1-CB 4.4Å; Y320-K487 HydrophobicContact CE1-CD 3.48Å; Y320-K487 VanDerWaalsContact CE1-CD 3.48Å; Y320-K487 HydrophobicContact CE1-CG 3.78Å; Y320-K487 PolarHBondContact O-N 3.07Å
488	A	93.3	Very high	90.9	Very high	7 Å²	7	73.7 Å²	73.7	6%	0.058	38%	0.383	C	S	.	.	S	Bend	trans	-64.7	155.4	174.5	0	0	0	0	0	112.3	L313 S314 Y315 M319 Y320 L486	L313-A488 HydrophobicContact CD1-CB 3.59Å; L313-A488 HydrophobicContact CD2-CB 4.1Å; L313-A488 HydrophobicContact CG-CB 3.69Å; S314-A488 WeakPolarHBondContact O-CB 3.48Å; Y315-A488 HydrophobicContact CD1-CB 3.8Å; Y315-A488 HydrophobicContact CE1-CB 3.57Å; Y315-A488 HydrophobicContact CG-CB 4.4Å; M319-A488 HydrophobicContact CB-CB 4.08Å; Y320-A488 PolarHBondContact O-N 3.33Å; L486-A488 HydrophobicContact CD1-CB 4.13Å
489	R	91.8	Very high	91.1	Very high	142 Å²	142	71.7 Å²	71.7	54%	0.536	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.8	-172.2	-62.9	179.9	179.3	173.7	1.9	111.5	S314 M319	S314-R489 VanDerWaalsContact CB-O 3.31Å; S314-R489 WeakPolarHBondContact CB-O 3.43Å; S314-R489 PolarHBondContact N-O 3.19Å; S314-R489 PolarHBondContact O-N 2.88Å; S314-R489 VanDerWaalsContact O-N 3.1Å; M319-R489 HydrophobicContact CE-CG 3.77Å; M319-R489 HydrophobicContact SD-CG 4.09Å
490	F	92.8	Very high	91.4	Very high	60 Å²	60	69 Å²	69	26%	0.263	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	151.7	176.5	-70.3	-68.2	0	0	0	113	I312 L313 I473 K477 L486 R493	I312-F490 CarbonylContact O-C 3.57Å; I312-F490 WeakPolarHBondContact O-CA 3.44Å; L313-F490 HydrophobicContact CD1-CD1 3.86Å; L313-F490 HydrophobicContact CD1-CE1 4.02Å; L313-F490 HydrophobicContact CD1-CG 4.24Å; I473-F490 HydrophobicContact CG2-CE1 3.97Å; K477-F490 HydrophobicContact CB-CD1 4.41Å; K477-F490 HydrophobicContact CB-CE1 3.63Å; K477-F490 HydrophobicContact CB-CE2 4.03Å; K477-F490 HydrophobicContact CB-CZ 3.42Å; K477-F490 VanDerWaalsContact CB-CZ 3.42Å; K477-F490 HydrophobicContact CD-CD1 4.12Å; K477-F490 HydrophobicContact CD-CE1 4.12Å; K477-F490 HydrophobicContact CG-CD1 4.18Å; K477-F490 HydrophobicContact CG-CD2 4.25Å; K477-F490 HydrophobicContact CG-CE1 3.89Å; K477-F490 HydrophobicContact CG-CE2 3.94Å; K477-F490 HydrophobicContact CG-CG 4.37Å; K477-F490 HydrophobicContact CG-CZ 3.77Å; L486-F490 HydrophobicContact CD2-CD2 4.1Å; L486-F490 HydrophobicContact CD2-CE2 3.31Å; L486-F490 HydrophobicContact CD2-CZ 3.65Å; F490-R493 PolarHBondContact O-NH2 2.88Å
491	G	89.3	Confident	91.6	Very high	33 Å²	33	65.5 Å²	65.5	34%	0.34	33%	0.328	S	S	.	.	S	Bend	trans	83.8	144.3	178.6	0	0	0	0	0	113.7	I312 S314 R493	I312-G491 PolarHBondContact O-N 2.91Å; S314-G491 PolarHBondContact OG-O 2.84Å; G491-R493 PolarHBondContact O-NE 2.73Å
492	L	88.9	Confident	91.8	Very high	104 Å²	104	64.3 Å²	64.3	55%	0.545	32%	0.322	S	S	.	.			trans	-63	139.7	175.9	-169.8	70.4	0	0	0	110.7	I312 M341 W403 H461	I312-L492 HydrophobicContact CD1-CB 4.16Å; I312-L492 HydrophobicContact CG2-CB 4.36Å; I312-L492 HydrophobicContact CG2-CD1 4.44Å; M341-L492 HydrophobicContact SD-CD1 4.4Å; W403-L492 HydrophobicContact CZ2-CD1 4.5Å; H461-L492 HydrophobicContact CB-CD1 4.49Å
493	R	88.7	Confident	91.6	Very high	103 Å²	103	60.1 Å²	60.1	39%	0.389	30%	0.297	S	S	.	.			trans	-160.4	149.6	-178.4	61.1	-171.8	68.3	-140	2.8	110.6	H461 F490 G491 I495	H461-R493 PolarHBondContact CE1-O 3.01Å; H461-R493 PolarHBondContact NE2-O 2.84Å; F490-R493 PolarHBondContact O-NH2 2.88Å; G491-R493 PolarHBondContact O-NE 2.73Å; R493-I495 HydrophobicContact CG-CG1 4.36Å; R493-I495 PolarHBondContact O-N 2.99Å
494	N	86.9	Confident	91.3	Very high	165 Å²	165	59 Å²	59	88%	0.882	30%	0.297	S	S	*	.			trans	-66.7	128.6	167.6	-66.7	-11.6	0	0	0	109
495	I	89.3	Confident	91.1	Very high	26 Å²	26	60.5 Å²	60.5	13%	0.133	30%	0.3	C	S	.	.			trans	-100.1	128.4	-177.6	-63.5	154.8	0	0	0	109.4	Y315 D316 I459 G460 H461 R493 A497 Q525	Y315-I495 WeakPolarHBondContact O-CD1 3.36Å; D316-I495 HydrophobicContact CB-CG2 3.89Å; I459-I495 HydrophobicContact CG2-CB 4.49Å; I459-I495 HydrophobicContact CG2-CG2 3.67Å; G460-I495 WeakPolarHBondContact O-CD1 3.37Å; H461-I495 WeakPolarHBondContact CE1-CD1 3.14Å; R493-I495 HydrophobicContact CG-CG1 4.36Å; R493-I495 PolarHBondContact O-N 2.99Å; I495-A497 HydrophobicContact CG2-CB 4.48Å; I495-Q525 PolarHBondContact O-NE2 3.29Å; I495-Q525 VanDerWaalsContact O-NE2 3.15Å; I495-Q525 PolarHBondContact O-OE1 3.43Å
496	I	91.2	Very high	90.9	Very high	56 Å²	56	59.9 Å²	59.9	29%	0.287	30%	0.304	S	S	.	.			trans	-124.6	103.3	168.7	-54.9	-62.3	0	0	0	105.4	P499 W581 A647	I496-P499 HydrophobicContact CG2-CB 4.08Å; I496-P499 HydrophobicContact CG2-CG 4.32Å; I496-W581 HydrophobicContact CD1-CB 4.14Å; I496-W581 HydrophobicContact CD1-CD2 3.88Å; I496-W581 HydrophobicContact CD1-CE3 4.48Å; I496-W581 HydrophobicContact CD1-CG 3.73Å; I496-W581 HydrophobicContact CG2-CD2 4.44Å; I496-W581 HydrophobicContact CG2-CH2 3.99Å; I496-W581 HydrophobicContact CG2-CZ2 3.56Å; I496-A647 HydrophobicContact CG2-CB 3.51Å
497	A	90.6	Very high	91.1	Very high	6 Å²	6	56.7 Å²	56.7	5%	0.05	29%	0.288	C	S	.	.			trans	-93.4	138.1	-175	0	0	0	0	0	111.9	D316 I459 I495 A647 S648	D316-A497 HydrophobicContact CB-CB 4.19Å; D316-A497 WeakPolarHBondContact O-CB 3.48Å; I459-A497 HydrophobicContact CD1-CB 3.8Å; I495-A497 HydrophobicContact CG2-CB 4.48Å; A497-A647 WeakPolarHBondContact O-CA 3.21Å; A497-A647 WeakPolarHBondContact O-CB 3.41Å; A497-S648 PolarHBondContact N-OG 2.04Å; A497-S648 PolarHBondContact O-N 3.18Å
498	D	91.9	Very high	91.3	Very high	66 Å²	66	51.7 Å²	51.7	35%	0.353	27%	0.265	S	S	.	.	S	Bend	trans	31.2	63.1	-178.3	-165.5	29.1	0	0	0	114.4	V500 R671	D498-V500 PolarHBondContact O-N 3.32Å; D498-R671 VanDerWaalsContact CG-NH1 3.3Å; D498-R671 IonicContact OD1-NH1 3.35Å; D498-R671 PolarHBondContact OD1-NH1 2.9Å; D498-R671 IonicContact OD2-NH1 2.66Å; D498-R671 PolarHBondContact OD2-NH1 3.03Å
499	P	94.2	Very high	91.5	Very high	32 Å²	32	51.4 Å²	51.4	21%	0.208	26%	0.263	C	S	.	.			trans	-64.6	135.1	178.2	26.1	-33.1	0	0	0	111.1	I496 W581 L646 A647 G672 C673	I496-P499 HydrophobicContact CG2-CB 4.08Å; I496-P499 HydrophobicContact CG2-CG 4.32Å; P499-W581 HydrophobicContact CB-CH2 4.17Å; P499-W581 HydrophobicContact CB-CZ2 4.18Å; P499-L646 CarbonylContact C-O 3.54Å; P499-L646 WeakPolarHBondContact CA-O 3.49Å; P499-A647 HydrophobicContact CB-CB 4.09Å; P499-G672 CarbonylContact O-C 3.51Å; P499-G672 WeakPolarHBondContact O-CA 3.31Å; P499-G672 PolarHBondContact O-N 3.03Å; P499-C673 HydrophobicContact CB-CB 3.92Å
500	V	95	Very high	91.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131	179	171.7	0	0	0	0	110.1	D498 F502 C645 L646 L658 I659 I669 E670	D498-V500 PolarHBondContact O-N 3.32Å; V500-F502 HydrophobicContact CG1-CE2 4Å; V500-F502 HydrophobicContact CG1-CZ 4.28Å; V500-C645 CarbonylContact O-C 3.53Å; V500-C645 VanDerWaalsContact O-CA 3.26Å; V500-C645 WeakPolarHBondContact O-CA 3.1Å; V500-L646 PolarHBondContact N-O 2.79Å; V500-L646 PolarHBondContact O-N 3.16Å; V500-L658 HydrophobicContact CB-CD1 4.06Å; V500-L658 HydrophobicContact CG2-CB 4.16Å; V500-L658 HydrophobicContact CG2-CD1 4.29Å; V500-I659 HydrophobicContact CG1-CD1 4Å; V500-I659 HydrophobicContact CG1-CG1 4.04Å; V500-I659 HydrophobicContact CG2-CD1 4.11Å; V500-I659 HydrophobicContact CG2-CG1 4.12Å; V500-I669 HydrophobicContact CG1-CG2 3.53Å; V500-E670 CarbonylContact C-O 3.6Å; V500-E670 WeakPolarHBondContact CA-O 3.35Å
501	T	94.4	Very high	92	Very high	24 Å²	24	42 Å²	42	15%	0.147	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.4	-179.3	-64.7	0	0	0	0	111.6	K503 C645 I669 E670 G672	T501-K503 HydrophobicContact CG2-CG 4.01Å; T501-C645 PolarHBondContact OG1-SG 3Å; T501-I669 WeakPolarHBondContact O-CA 3.38Å; T501-E670 PolarHBondContact N-O 2.86Å; T501-E670 PolarHBondContact O-N 3.42Å; T501-G672 PolarHBondContact N-O 2.79Å; T501-G672 PolarHBondContact OG1-O 2.77Å
502	F	94.1	Very high	92.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	101.2	169.4	-63.3	-95.2	0	0	0	108.2	V500 T504 L509 A622 G644 L646 I669	V500-F502 HydrophobicContact CG1-CE2 4Å; V500-F502 HydrophobicContact CG1-CZ 4.28Å; F502-T504 PolarHBondContact O-N 2.74Å; F502-L509 HydrophobicContact CE1-CD2 3.71Å; F502-L509 HydrophobicContact CE1-CG 4.12Å; F502-L509 HydrophobicContact CZ-CD2 3.63Å; F502-L509 HydrophobicContact CZ-CG 4.25Å; F502-A622 HydrophobicContact CB-CB 4.19Å; F502-A622 HydrophobicContact CD1-CB 3.29Å; F502-A622 HydrophobicContact CD2-CB 3.73Å; F502-A622 HydrophobicContact CE1-CB 3.41Å; F502-A622 VanDerWaalsContact CE1-CB 3.41Å; F502-A622 HydrophobicContact CE2-CB 3.85Å; F502-A622 HydrophobicContact CG-CB 3.45Å; F502-A622 VanDerWaalsContact CG-CB 3.45Å; F502-A622 HydrophobicContact CZ-CB 3.69Å; F502-G644 PolarHBondContact N-O 2.89Å; F502-G644 PolarHBondContact O-N 2.79Å; F502-L646 HydrophobicContact CD2-CD1 4.49Å; F502-L646 HydrophobicContact CD2-CG 4.39Å; F502-L646 HydrophobicContact CE2-CB 4.27Å; F502-L646 HydrophobicContact CE2-CD1 3.83Å; F502-L646 HydrophobicContact CE2-CG 4.03Å; F502-L646 HydrophobicContact CZ-CD1 4.41Å; F502-I669 HydrophobicContact CD1-CD1 4.05Å; F502-I669 HydrophobicContact CD1-CG1 3.88Å; F502-I669 HydrophobicContact CD1-CG2 4.31Å; F502-I669 HydrophobicContact CE1-CD1 3.84Å; F502-I669 HydrophobicContact CE1-CG1 4.1Å; F502-I669 HydrophobicContact CE1-CG2 4.09Å; F502-I669 HydrophobicContact CZ-CG2 4.41Å
503	K	87.6	Confident	92.6	Very high	65 Å²	65	39.6 Å²	39.6	28%	0.283	21%	0.213	S	C	.	.			trans	-71.7	-26.6	-167.8	-80.5	-172.5	169.4	170.1	0	114.5	T501 Q643 Q668 E670	T501-K503 HydrophobicContact CG2-CG 4.01Å; K503-Q643 WeakPolarHBondContact O-CG 3.45Å; K503-Q643 PolarHBondContact O-NE2 3.31Å; K503-Q668 HydrophobicContact CB-CB 3.84Å; K503-Q668 HydrophobicContact CD-CB 4.21Å; K503-Q668 HydrophobicContact CG-CB 4.43Å; K503-Q668 PolarHBondContact N-O 2.84Å; K503-E670 VanDerWaalsContact CE-CD 3.4Å; K503-E670 VanDerWaalsContact CE-OE1 3.29Å; K503-E670 WeakPolarHBondContact CE-OE1 3.41Å; K503-E670 WeakPolarHBondContact CE-OE2 3.38Å; K503-E670 IonicContact NZ-OE1 2.73Å; K503-E670 PolarHBondContact NZ-OE1 2.93Å; K503-E670 IonicContact NZ-OE2 2.8Å; K503-E670 PolarHBondContact NZ-OE2 3.07Å
504	T	86.4	Confident	92.8	Very high	43 Å²	43	35 Å²	35	26%	0.264	20%	0.197	S	C	.	.	S	Bend	trans	-128.1	153.4	-179.9	71.8	0	0	0	0	110.7	F502 S506 S507	F502-T504 PolarHBondContact O-N 2.74Å; T504-S506 PolarHBondContact O-N 2.9Å; T504-S506 PolarHBondContact OG1-N 2.86Å; T504-S506 PolarHBondContact OG1-OG 2.76Å; T504-S507 PolarHBondContact N-OG 2.91Å; T504-S507 VanDerWaalsContact O-CB 3.25Å; T504-S507 WeakPolarHBondContact O-CB 3.5Å; T504-S507 PolarHBondContact O-N 2.88Å; T504-S507 PolarHBondContact O-OG 3.01Å; T504-S507 PolarHBondContact OG1-N 3.26Å; T504-S507 PolarHBondContact OG1-OG 3.48Å
505	K	89.4	Confident	92.9	Very high	64 Å²	64	34 Å²	34	28%	0.278	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-9.1	171.3	-60	-159.8	-173.4	-168.2	0	115	D640 G641 Q643	K505-D640 HydrophobicContact CB-CB 4.12Å; K505-D640 HydrophobicContact CD-CB 3.52Å; K505-D640 VanDerWaalsContact CD-OD2 3.32Å; K505-D640 WeakPolarHBondContact CD-OD2 3.34Å; K505-D640 HydrophobicContact CG-CB 4.47Å; K505-D640 IonicContact NZ-OD2 2.7Å; K505-D640 PolarHBondContact NZ-OD2 3.44Å; K505-G641 WeakPolarHBondContact CB-O 3.23Å; K505-G641 WeakPolarHBondContact O-CA 3.42Å; K505-G641 PolarHBondContact O-N 3.14Å; K505-Q643 HydrophobicContact CG-CB 3.89Å
506	S	90.3	Very high	92.7	Very high	66 Å²	66	32.9 Å²	32.9	46%	0.462	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-4.1	173	55.8	0	0	0	0	113.1	T504	T504-S506 PolarHBondContact O-N 2.9Å; T504-S506 PolarHBondContact OG1-N 2.86Å; T504-S506 PolarHBondContact OG1-OG 2.76Å
507	S	94.5	Very high	92.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.19	C	C	.	.			trans	-81.4	125.9	179.4	-59.4	0	0	0	0	110	T504 S666 Q668	T504-S507 PolarHBondContact N-OG 2.91Å; T504-S507 VanDerWaalsContact O-CB 3.25Å; T504-S507 WeakPolarHBondContact O-CB 3.5Å; T504-S507 PolarHBondContact O-N 2.88Å; T504-S507 PolarHBondContact O-OG 3.01Å; T504-S507 PolarHBondContact OG1-N 3.26Å; T504-S507 PolarHBondContact OG1-OG 3.48Å; S507-S666 CarbonylContact C-O 3.51Å; S507-S666 VanDerWaalsContact CA-O 3.26Å; S507-S666 WeakPolarHBondContact CA-O 3.5Å; S507-Q668 PolarHBondContact OG-N 3.07Å; S507-Q668 PolarHBondContact OG-O 2.88Å
508	Y	96.9	Very high	91.4	Very high	24 Å²	24	39.3 Å²	39.3	9%	0.094	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	159.9	177.4	73.8	-91.8	0	0	0	110.8	T510 Y620 M621 G623 L624 A625 H664 S666 I669	Y508-T510 HydrophobicContact CE2-CG2 4.38Å; Y508-Y620 AromaticContact CD2-CD1 3.89Å; Y508-Y620 HydrophobicContact CD2-CD1 3.89Å; Y508-Y620 HydrophobicContact CD2-CE1 4.22Å; Y508-Y620 HydrophobicContact CE2-CD1 4.03Å; Y508-Y620 AromaticContact CE2-CE1 3.87Å; Y508-Y620 HydrophobicContact CE2-CE1 3.87Å; Y508-M621 WeakPolarHBondContact CA-O 3.37Å; Y508-M621 WeakPolarHBondContact CB-O 3.38Å; Y508-G623 VanDerWaalsContact CB-C 3.44Å; Y508-G623 WeakPolarHBondContact CB-O 3.27Å; Y508-L624 WeakPolarHBondContact CD1-O 3.49Å; Y508-A625 HydrophobicContact CE1-CB 4.49Å; Y508-H664 AromaticContact CE2-CD2 3.97Å; Y508-S666 VanDerWaalsContact CE1-CB 3.44Å; Y508-S666 PolarHBondContact N-O 2.82Å; Y508-S666 PolarHBondContact O-N 2.8Å; Y508-I669 WeakPolarHBondContact O-CD1 3.46Å
509	L	97.6	Very high	91.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	161.1	171.1	63.5	89.1	0	0	0	110.7	F502 L511 M621 L658 A662 H664 R665 I669	F502-L509 HydrophobicContact CE1-CD2 3.71Å; F502-L509 HydrophobicContact CE1-CG 4.12Å; F502-L509 HydrophobicContact CZ-CD2 3.63Å; F502-L509 HydrophobicContact CZ-CG 4.25Å; L509-L511 HydrophobicContact CD1-CD1 4.34Å; L509-L511 HydrophobicContact CD1-CD2 4.03Å; L509-L511 HydrophobicContact CD1-CG 3.81Å; L509-M621 HydrophobicContact CD1-CB 3.78Å; L509-M621 HydrophobicContact CD1-CG 3.93Å; L509-M621 HydrophobicContact CG-CB 4.02Å; L509-M621 PolarHBondContact N-O 3.41Å; L509-M621 PolarHBondContact O-N 2.9Å; L509-L658 HydrophobicContact CD2-CB 4.17Å; L509-L658 WeakPolarHBondContact CD2-O 3.42Å; L509-A662 HydrophobicContact CB-CB 4.21Å; L509-A662 HydrophobicContact CD1-CB 4.39Å; L509-H664 CarbonylContact C-O 3.49Å; L509-H664 WeakPolarHBondContact CA-O 3.41Å; L509-H664 WeakPolarHBondContact CB-O 3.45Å; L509-R665 HydrophobicContact CB-CG 4.08Å; L509-I669 HydrophobicContact CB-CD1 4.05Å; L509-I669 HydrophobicContact CD2-CD1 4.16Å; L509-I669 HydrophobicContact CD2-CG2 4.34Å
510	T	97.6	Very high	91	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144.7	172.5	64.6	0	0	0	0	112.5	Y508 D618 L619 Y620 A662 L663 H664	Y508-T510 HydrophobicContact CE2-CG2 4.38Å; T510-D618 WeakPolarHBondContact CB-OD2 3.35Å; T510-D618 HydrophobicContact CG2-CB 3.93Å; T510-D618 PolarHBondContact OG1-OD2 2.64Å; T510-L619 CarbonylContact C-O 3.57Å; T510-L619 VanDerWaalsContact CA-O 3.27Å; T510-L619 WeakPolarHBondContact CA-O 3.44Å; T510-Y620 HydrophobicContact CG2-CD1 3.58Å; T510-Y620 HydrophobicContact CG2-CD2 4.23Å; T510-Y620 HydrophobicContact CG2-CE1 3.53Å; T510-Y620 HydrophobicContact CG2-CE2 4.18Å; T510-Y620 HydrophobicContact CG2-CG 3.93Å; T510-A662 CarbonylContact O-C 3.59Å; T510-A662 VanDerWaalsContact O-CA 3.29Å; T510-A662 WeakPolarHBondContact O-CA 3.42Å; T510-L663 PolarHBondContact O-N 2.83Å; T510-H664 PolarHBondContact N-O 2.88Å; T510-H664 WeakPolarHBondContact OG1-CB 3.32Å; T510-H664 PolarHBondContact OG1-N 2.99Å
511	L	97.3	Very high	90.8	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	169.8	175.2	-62.3	172.3	0	0	0	109.5	L509 L619 M621 L651 P656 L658 D661	L509-L511 HydrophobicContact CD1-CD1 4.34Å; L509-L511 HydrophobicContact CD1-CD2 4.03Å; L509-L511 HydrophobicContact CD1-CG 3.81Å; L511-L619 HydrophobicContact CB-CB 4.26Å; L511-L619 HydrophobicContact CB-CD2 4.36Å; L511-L619 HydrophobicContact CD1-CD2 4.37Å; L511-L619 PolarHBondContact N-O 3.49Å; L511-L619 PolarHBondContact O-N 2.63Å; L511-M621 HydrophobicContact CD1-CG 3.83Å; L511-M621 HydrophobicContact CD1-SD 4.49Å; L511-M621 HydrophobicContact CG-CG 4.33Å; L511-L651 HydrophobicContact CD1-CD1 3.77Å; L511-P656 HydrophobicContact CD1-CB 3.96Å; L511-P656 HydrophobicContact CD1-CG 3.92Å; L511-P656 HydrophobicContact CD2-CB 4.24Å; L511-L658 HydrophobicContact CD1-CD2 4.02Å; L511-D661 HydrophobicContact CD2-CB 4Å
512	A	95.4	Very high	90.8	Very high	44 Å²	44	36.8 Å²	36.8	36%	0.364	20%	0.196	S	C	.	.	S	Bend	trans	-60.2	149.3	171.5	0	0	0	0	0	111.8	L514	A512-L514 PolarHBondContact O-N 2.93Å
513	T	95.1	Very high	90.9	Very high	43 Å²	43	37.3 Å²	37.3	26%	0.264	20%	0.198	S	C	.	.			trans	-45.4	130.6	-177.8	-39.5	0	0	0	0	113	Q515 L615 G617	T513-Q515 PolarHBondContact O-N 2.93Å; T513-Q515 PolarHBondContact O-NE2 2.94Å; T513-L615 HydrophobicContact CG2-CB 3.82Å; T513-G617 WeakPolarHBondContact CB-O 3.37Å; T513-G617 WeakPolarHBondContact CG2-O 3.46Å; T513-G617 PolarHBondContact OG1-O 3.1Å
514	L	93.3	Very high	91.3	Very high	7 Å²	7	34.5 Å²	34.5	4%	0.037	19%	0.186	C	C	.	.			trans	-61.5	126.8	177.1	175.1	66.8	0	0	0	111.6	A512 A516 M520 L522 N538 I546 L615 L619 L651 N652	A512-L514 PolarHBondContact O-N 2.93Å; L514-A516 HydrophobicContact CD2-CB 3.96Å; L514-A516 HydrophobicContact CG-CB 3.87Å; L514-A516 PolarHBondContact O-N 2.93Å; L514-M520 HydrophobicContact CD2-SD 4.17Å; L514-L522 HydrophobicContact CD1-CD2 3.76Å; L514-L522 HydrophobicContact CD2-CD1 4.35Å; L514-L522 HydrophobicContact CD2-CD2 3.99Å; L514-N538 PolarHBondContact N-OD1 2.76Å; L514-I546 HydrophobicContact CD2-CD1 4.47Å; L514-I546 HydrophobicContact CD2-CG2 4.3Å; L514-L615 HydrophobicContact CB-CD1 3.78Å; L514-L615 HydrophobicContact CD2-CD1 3.97Å; L514-L615 HydrophobicContact CG-CD1 4.11Å; L514-L619 HydrophobicContact CB-CD1 4.21Å; L514-L619 HydrophobicContact CB-CD2 4.33Å; L514-L651 HydrophobicContact CD1-CB 3.95Å; L514-N652 HydrophobicContact CD1-CB 4.47Å
515	Q	90.1	Very high	91.8	Very high	145 Å²	145	33 Å²	33	68%	0.678	18%	0.176	S	C	*	.			trans	-89	83.3	179.5	-58.6	-57.2	-63.7	0	0	110.6	T513 N652	T513-Q515 PolarHBondContact O-N 2.93Å; T513-Q515 PolarHBondContact O-NE2 2.94Å; Q515-N652 PolarHBondContact O-ND2 2.88Å
516	A	83.1	Confident	92.2	Very high	2 Å²	2	30 Å²	30	2%	0.017	16%	0.163	C	C	.	.			trans	-127.6	29.1	-170.3	0	0	0	0	0	114.9	L514 S519 M520 R588 L613 L615	L514-A516 HydrophobicContact CD2-CB 3.96Å; L514-A516 HydrophobicContact CG-CB 3.87Å; L514-A516 PolarHBondContact O-N 2.93Å; A516-S519 CarbonylContact C-O 3.49Å; A516-M520 HydrophobicContact CB-CB 3.99Å; A516-M520 HydrophobicContact CB-CG 3.71Å; A516-M520 HydrophobicContact CB-SD 3.87Å; A516-R588 PolarHBondContact O-NH2 3.09Å; A516-L613 HydrophobicContact CB-CD2 4.28Å; A516-L615 HydrophobicContact CB-CD1 4.49Å
517	Y	78.6	Confident	92.4	Very high	118 Å²	118	28.2 Å²	28.2	46%	0.463	15%	0.147	S	C	.	.	S	Bend	trans	-60.6	-60.2	-165.9	-178.5	-111.7	0	0	0	115.3	R588 N612 L613 D614	Y517-R588 VanDerWaalsContact C-NH2 3.33Å; Y517-R588 PolarHBondContact O-NH2 3.44Å; Y517-N612 HydrophobicContact CD2-CB 3.93Å; Y517-N612 HydrophobicContact CE2-CB 3.56Å; Y517-N612 VanDerWaalsContact CZ-CG 3.46Å; Y517-N612 VanDerWaalsContact CZ-ND2 3.31Å; Y517-N612 WeakPolarHBondContact O-CA 3.49Å; Y517-N612 PolarHBondContact OH-ND2 2.82Å; Y517-L613 PolarHBondContact O-N 2.95Å; Y517-D614 WeakPolarHBondContact CD2-OD1 3.48Å; Y517-D614 WeakPolarHBondContact CE2-OD1 3.38Å
518	T	76.4	Confident	92.3	Very high	79 Å²	79	28.3 Å²	28.3	49%	0.485	15%	0.147	S	C	.	.	S	Bend	trans	-97.9	-26.8	-178.4	49	0	0	0	0	114.8	R588	T518-R588 PolarHBondContact O-NH1 2.91Å
519	S	86	Confident	91.8	Very high	37 Å²	37	31.7 Å²	31.7	26%	0.259	17%	0.171	S	C	.	.			trans	-153.7	160.8	179.3	54.7	0	0	0	0	108.5	A516 R588 N652	A516-S519 CarbonylContact C-O 3.49Å; S519-R588 CarbonylContact C-O 3.56Å; S519-R588 VanDerWaalsContact CA-O 3.25Å; S519-R588 WeakPolarHBondContact CA-O 3.22Å; S519-R588 WeakPolarHBondContact CB-O 3.31Å; S519-N652 PolarHBondContact O-ND2 2.94Å
520	M	91.2	Very high	91.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	133.8	-174.1	-172.2	-177.6	74.3	0	0	110.3	L514 A516 L522 I546 Y557 I586 T587 R588 N652	L514-M520 HydrophobicContact CD2-SD 4.17Å; A516-M520 HydrophobicContact CB-CB 3.99Å; A516-M520 HydrophobicContact CB-CG 3.71Å; A516-M520 HydrophobicContact CB-SD 3.87Å; M520-L522 HydrophobicContact CE-CD1 4.06Å; M520-L522 HydrophobicContact CE-CG 4.23Å; M520-L522 HydrophobicContact CG-CD2 4.19Å; M520-L522 HydrophobicContact CG-CG 3.98Å; M520-L522 HydrophobicContact SD-CD1 3.93Å; M520-L522 HydrophobicContact SD-CD2 4.49Å; M520-L522 HydrophobicContact SD-CG 4.03Å; M520-I546 HydrophobicContact CE-CD1 3.67Å; M520-I546 HydrophobicContact SD-CD1 3.47Å; M520-I546 WeakPolarHBondContact SD-CD1 3.13Å; M520-Y557 HydrophobicContact CE-CE2 4.38Å; M520-I586 HydrophobicContact CE-CG2 3.65Å; M520-T587 CarbonylContact O-C 3.55Å; M520-T587 VanDerWaalsContact O-CA 3.22Å; M520-T587 WeakPolarHBondContact O-CA 3.24Å; M520-R588 HydrophobicContact CB-CB 4.14Å; M520-R588 PolarHBondContact N-O 2.98Å; M520-R588 PolarHBondContact O-N 3.13Å; M520-N652 WeakPolarHBondContact CA-OD1 3.37Å
521	H	91.5	Very high	91	Very high	30 Å²	30	34 Å²	34	14%	0.139	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	113.9	165.7	-62.1	-101.7	0	0	0	108.2	A345 Y346 T587 N652	A345-H521 HydrophobicContact CB-CB 3.88Å; A345-H521 WeakPolarHBondContact CB-ND1 3.38Å; Y346-H521 HydrophobicContact CE2-CB 4.07Å; H521-T587 WeakPolarHBondContact ND1-CG2 3.18Å; H521-N652 PolarHBondContact N-OD1 2.96Å; H521-N652 WeakPolarHBondContact O-CA 3.34Å; H521-N652 PolarHBondContact O-N 2.86Å
522	L	94.9	Very high	90.7	Very high	2 Å²	2	37 Å²	37	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.6	169.7	-53.3	178.7	0	0	0	108.1	L514 M520 L536 I546 V585 I586 D650 L651	L514-L522 HydrophobicContact CD1-CD2 3.76Å; L514-L522 HydrophobicContact CD2-CD1 4.35Å; L514-L522 HydrophobicContact CD2-CD2 3.99Å; M520-L522 HydrophobicContact CE-CD1 4.06Å; M520-L522 HydrophobicContact CE-CG 4.23Å; M520-L522 HydrophobicContact CG-CD2 4.19Å; M520-L522 HydrophobicContact CG-CG 3.98Å; M520-L522 HydrophobicContact SD-CD1 3.93Å; M520-L522 HydrophobicContact SD-CD2 4.49Å; M520-L522 HydrophobicContact SD-CG 4.03Å; L522-L536 HydrophobicContact CD1-CD1 4.36Å; L522-I546 HydrophobicContact CD1-CD1 3.9Å; L522-V585 CarbonylContact O-C 3.6Å; L522-V585 WeakPolarHBondContact O-CA 3.23Å; L522-I586 HydrophobicContact CB-CB 4.27Å; L522-I586 PolarHBondContact N-O 2.84Å; L522-I586 PolarHBondContact O-N 2.85Å; L522-D650 WeakPolarHBondContact CA-O 3.24Å; L522-L651 HydrophobicContact CD2-CD2 4.18Å
523	F	95.1	Very high	90.5	Very high	10 Å²	10	35 Å²	35	4%	0.044	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.4	167.4	167.9	-114.1	0	0	0	108.8	Q343 R344 Q525 N583 V584 V585 S648 V649 D650	Q343-F523 HydrophobicContact CB-CE1 4.45Å; Q343-F523 HydrophobicContact CB-CE2 4.05Å; Q343-F523 HydrophobicContact CB-CZ 4.01Å; R344-F523 HydrophobicContact CG-CD1 3.84Å; R344-F523 HydrophobicContact CG-CE1 4.3Å; F523-Q525 HydrophobicContact CE2-CG 4.32Å; F523-Q525 HydrophobicContact CZ-CG 3.94Å; F523-N583 HydrophobicContact CE2-CB 4.26Å; F523-V584 WeakPolarHBondContact CA-O 3.42Å; F523-V584 WeakPolarHBondContact CD2-O 3.29Å; F523-V585 HydrophobicContact CD2-CG2 3.89Å; F523-S648 VanDerWaalsContact CD1-O 3.28Å; F523-S648 WeakPolarHBondContact CD1-O 3.34Å; F523-V649 CarbonylContact O-C 3.57Å; F523-V649 WeakPolarHBondContact O-CA 3.35Å; F523-D650 HydrophobicContact CB-CB 4.1Å; F523-D650 PolarHBondContact N-O 2.97Å; F523-D650 VanDerWaalsContact N-O 3.09Å; F523-D650 PolarHBondContact O-N 3.37Å
524	F	97.1	Very high	90.4	Very high	7 Å²	7	33 Å²	33	3%	0.031	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	161	166.9	61.8	-87.1	0	0	0	109.5	F526 I535 V548 V584 L646 V649	F524-F526 HydrophobicContact CD2-CB 4.34Å; F524-F526 HydrophobicContact CD2-CD1 4.48Å; F524-F526 HydrophobicContact CE2-CB 4.31Å; F524-F526 AromaticContact CE2-CD1 3.95Å; F524-F526 HydrophobicContact CE2-CD1 3.95Å; F524-F526 HydrophobicContact CE2-CG 4.48Å; F524-I535 HydrophobicContact CD2-CG2 4.48Å; F524-I535 HydrophobicContact CE2-CD1 4.29Å; F524-I535 HydrophobicContact CE2-CG2 3.84Å; F524-I535 HydrophobicContact CZ-CG2 3.92Å; F524-V548 HydrophobicContact CE1-CG1 4.31Å; F524-V548 HydrophobicContact CZ-CG1 3.93Å; F524-V584 HydrophobicContact CD1-CB 4.32Å; F524-V584 HydrophobicContact CD2-CB 4.3Å; F524-V584 HydrophobicContact CE1-CB 3.9Å; F524-V584 HydrophobicContact CE1-CG1 3.72Å; F524-V584 HydrophobicContact CE2-CB 3.86Å; F524-V584 HydrophobicContact CE2-CG1 4.35Å; F524-V584 HydrophobicContact CE2-CG2 3.89Å; F524-V584 HydrophobicContact CZ-CB 3.65Å; F524-V584 HydrophobicContact CZ-CG1 3.63Å; F524-V584 HydrophobicContact CZ-CG2 3.97Å; F524-V584 PolarHBondContact N-O 2.85Å; F524-V584 PolarHBondContact O-N 2.83Å; F524-L646 HydrophobicContact CD2-CD2 4.29Å; F524-V649 HydrophobicContact CB-CG2 4.02Å
525	Q	96.6	Very high	90.5	Very high	11 Å²	11	32.7 Å²	32.7	5%	0.051	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	143.9	168.2	-68.5	168.4	-41.4	0	0	108.7	I495 F523 W581 H582 N583 L646 A647 S648	I495-Q525 PolarHBondContact O-NE2 3.29Å; I495-Q525 VanDerWaalsContact O-NE2 3.15Å; I495-Q525 PolarHBondContact O-OE1 3.43Å; F523-Q525 HydrophobicContact CE2-CG 4.32Å; F523-Q525 HydrophobicContact CZ-CG 3.94Å; Q525-W581 HydrophobicContact CB-CE3 3.88Å; Q525-W581 HydrophobicContact CB-CZ3 4.13Å; Q525-H582 VanDerWaalsContact CA-O 3.25Å; Q525-H582 WeakPolarHBondContact CA-O 3.37Å; Q525-N583 WeakPolarHBondContact CG-OD1 3.42Å; Q525-N583 PolarHBondContact NE2-OD1 3.09Å; Q525-L646 CarbonylContact O-C 3.57Å; Q525-L646 WeakPolarHBondContact O-CA 3.37Å; Q525-A647 HydrophobicContact CB-CB 4.25Å; Q525-A647 PolarHBondContact N-O 2.93Å; Q525-A647 PolarHBondContact O-N 3.22Å; Q525-S648 VanDerWaalsContact OE1-CB 3.31Å; Q525-S648 PolarHBondContact OE1-OG 3.43Å
526	F	97.4	Very high	90.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	157.4	174.2	78.8	-83.9	0	0	0	112	F524 T528 L550 I555 L576 W581 H582 V584 F642 C645 L646	F524-F526 HydrophobicContact CD2-CB 4.34Å; F524-F526 HydrophobicContact CD2-CD1 4.48Å; F524-F526 HydrophobicContact CE2-CB 4.31Å; F524-F526 AromaticContact CE2-CD1 3.95Å; F524-F526 HydrophobicContact CE2-CD1 3.95Å; F524-F526 HydrophobicContact CE2-CG 4.48Å; F526-T528 HydrophobicContact CD2-CG2 4.04Å; F526-T528 HydrophobicContact CE2-CG2 3.98Å; F526-L550 HydrophobicContact CE2-CD1 4.22Å; F526-L550 HydrophobicContact CE2-CD2 4.47Å; F526-L550 HydrophobicContact CZ-CD1 4.12Å; F526-I555 HydrophobicContact CD1-CD1 4.33Å; F526-I555 HydrophobicContact CE1-CD1 3.67Å; F526-I555 HydrophobicContact CE1-CG1 3.82Å; F526-I555 HydrophobicContact CZ-CD1 3.81Å; F526-I555 HydrophobicContact CZ-CG1 3.95Å; F526-L576 HydrophobicContact CE2-CB 4.21Å; F526-L576 HydrophobicContact CZ-CB 3.72Å; F526-L576 HydrophobicContact CZ-CD1 4.09Å; F526-L576 HydrophobicContact CZ-CG 4.49Å; F526-W581 VanDerWaalsContact C-CE3 3.46Å; F526-W581 WeakPolarHBondContact O-CA 3.39Å; F526-H582 HydrophobicContact CD1-CB 4.15Å; F526-H582 HydrophobicContact CE1-CB 3.65Å; F526-H582 HydrophobicContact CZ-CB 3.94Å; F526-H582 PolarHBondContact N-O 3.09Å; F526-H582 PolarHBondContact O-N 3.32Å; F526-V584 HydrophobicContact CD1-CG2 3.7Å; F526-V584 HydrophobicContact CE1-CG2 3.52Å; F526-F642 HydrophobicContact CB-CE2 4.4Å; F526-F642 HydrophobicContact CB-CZ 4.06Å; F526-F642 AromaticContact CD2-CE2 3.95Å; F526-F642 HydrophobicContact CD2-CE2 3.95Å; F526-F642 HydrophobicContact CD2-CZ 4.26Å; F526-C645 VanDerWaalsContact CA-O 3.27Å; F526-C645 WeakPolarHBondContact CA-O 3.28Å; F526-L646 HydrophobicContact CB-CD2 3.69Å
527	K	94.8	Very high	91.5	Very high	29 Å²	29	26.6 Å²	26.6	13%	0.126	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	125.7	176.5	168	163.5	162.7	139	0	110.1	N579 Q580 W581 G644 C645	K527-N579 WeakPolarHBondContact CD-O 3.5Å; K527-N579 WeakPolarHBondContact CE-O 3.43Å; K527-N579 VanDerWaalsContact CE-OD1 3.23Å; K527-N579 WeakPolarHBondContact CE-OD1 3.01Å; K527-N579 PolarHBondContact NZ-O 3.38Å; K527-Q580 WeakPolarHBondContact CA-O 3.37Å; K527-Q580 VanDerWaalsContact CB-O 3.29Å; K527-Q580 WeakPolarHBondContact CB-O 3.16Å; K527-Q580 WeakPolarHBondContact CG-O 3.08Å; K527-W581 HydrophobicContact CB-CD2 3.77Å; K527-W581 HydrophobicContact CB-CE3 3.67Å; K527-W581 HydrophobicContact CB-CG 4.33Å; K527-W581 HydrophobicContact CB-CH2 4.39Å; K527-W581 HydrophobicContact CB-CZ2 4.48Å; K527-W581 HydrophobicContact CB-CZ3 3.99Å; K527-W581 HydrophobicContact CD-CD2 4.16Å; K527-W581 HydrophobicContact CD-CG 4.22Å; K527-G644 CarbonylContact O-C 3.46Å; K527-G644 WeakPolarHBondContact O-CA 3.35Å; K527-C645 HydrophobicContact CB-CB 4.37Å; K527-C645 PolarHBondContact N-O 3.32Å; K527-C645 PolarHBondContact O-N 3.09Å
528	T	91.7	Very high	92.3	Very high	2 Å²	2	21 Å²	21	1%	0.012	12%	0.123	C	C	.	.			trans	-155.4	162.3	-175.8	-173.6	0	0	0	0	112.8	F526 S530 L550 N577 N579 F642 Q643	F526-T528 HydrophobicContact CD2-CG2 4.04Å; F526-T528 HydrophobicContact CE2-CG2 3.98Å; T528-S530 PolarHBondContact OG1-N 3.26Å; T528-L550 HydrophobicContact CG2-CD2 3.74Å; T528-N577 HydrophobicContact CG2-CB 4.13Å; T528-N577 CarbonylContact O-C 3.56Å; T528-N577 VanDerWaalsContact O-CA 3.29Å; T528-N577 WeakPolarHBondContact O-CA 3.46Å; T528-N579 WeakPolarHBondContact O-CA 3.42Å; T528-N579 PolarHBondContact O-N 2.03Å; T528-F642 HydrophobicContact CG2-CE2 3.85Å; T528-Q643 WeakPolarHBondContact CB-O 3.27Å; T528-Q643 PolarHBondContact OG1-O 3.38Å
529	T	86.2	Confident	93.1	Very high	96 Å²	96	19.5 Å²	19.5	59%	0.589	12%	0.116	S	C	*	.	S	Bend	trans	-107.6	-13.7	165.5	52.6	0	0	0	0	112.9	N577 N579	T529-N577 PolarHBondContact O-ND2 2.81Å; T529-N577 VanDerWaalsContact O-ND2 3.1Å; T529-N579 HydrophobicContact CG2-CB 3.91Å
530	S	89.5	Confident	93.2	Very high	19 Å²	19	18.6 Å²	18.6	13%	0.133	11%	0.112	C	C	.	.			trans	-76.9	130.1	177.7	-171.2	0	0	0	0	110.1	T528 D532 L550 N577	T528-S530 PolarHBondContact OG1-N 3.26Å; S530-D532 VanDerWaalsContact C-N 3.29Å; S530-D532 PolarHBondContact OG-O 2.8Å; S530-L550 WeakPolarHBondContact O-CD2 3.3Å; S530-N577 WeakPolarHBondContact O-CB 3.21Å
531	A	89.5	Confident	92.9	Very high	30 Å²	30	22.7 Å²	22.7	25%	0.248	14%	0.135	C	C	.	.	S	Bend	trans	-75	-19.2	175.7	0	0	0	0	0	113.1	V551 K552 G553	A531-V551 CarbonylContact O-C 3.57Å; A531-K552 CarbonylContact O-C 3.43Å; A531-K552 PolarHBondContact O-N 3.08Å; A531-K552 VanDerWaalsContact O-N 3.1Å; A531-G553 PolarHBondContact O-N 2.71Å
532	D	91.3	Very high	92.6	Very high	67 Å²	67	25 Å²	25	36%	0.358	17%	0.167	S	C	.	.			trans	-134.3	140	-175.6	-55.9	-82.9	0	0	0	110.7	S530 L550 V551 K552	S530-D532 VanDerWaalsContact C-N 3.29Å; S530-D532 PolarHBondContact OG-O 2.8Å; D532-L550 VanDerWaalsContact CA-O 3.29Å; D532-L550 WeakPolarHBondContact CA-O 3.3Å; D532-V551 WeakPolarHBondContact OD1-CA 3.41Å; D532-K552 PolarHBondContact OD1-N 2.74Å
533	G	91.4	Very high	92.3	Very high	1 Å²	1	31 Å²	31	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.6	146.2	175.5	0	0	0	0	0	115	L550	G533-L550 PolarHBondContact N-O 3.16Å; G533-L550 PolarHBondContact O-N 2.91Å
534	F	92.4	Very high	92.1	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	124.7	178.8	-132.5	-60	0	0	0	112.8	L536 F537 A547 A622 L624 Y629 L632 V636 D640 F642	F534-L536 VanDerWaalsContact CE1-O 3.3Å; F534-L536 WeakPolarHBondContact CE1-O 3.27Å; F534-F537 HydrophobicContact CD1-CB 4.27Å; F534-F537 HydrophobicContact CE1-CB 3.61Å; F534-F537 HydrophobicContact CE1-CD2 4.02Å; F534-F537 HydrophobicContact CE1-CG 4.19Å; F534-F537 HydrophobicContact CZ-CB 4.11Å; F534-F537 AromaticContact CZ-CD2 3.77Å; F534-F537 HydrophobicContact CZ-CD2 3.77Å; F534-F537 HydrophobicContact CZ-CG 4.2Å; F534-A547 HydrophobicContact CE1-CB 3.82Å; F534-A547 HydrophobicContact CZ-CB 3.88Å; F534-A622 CarbonylContact O-C 3.6Å; F534-A622 VanDerWaalsContact O-CA 3.27Å; F534-A622 WeakPolarHBondContact O-CA 3.42Å; F534-A622 VanDerWaalsContact O-O 3.07Å; F534-L624 HydrophobicContact CD2-CD1 3.93Å; F534-L624 HydrophobicContact CD2-CG 4.44Å; F534-L624 HydrophobicContact CE2-CD1 3.76Å; F534-L624 HydrophobicContact CZ-CD1 4.28Å; F534-Y629 HydrophobicContact CD2-CE1 4.26Å; F534-L632 HydrophobicContact CD2-CD1 4.43Å; F534-L632 HydrophobicContact CE2-CD1 3.76Å; F534-L632 HydrophobicContact CE2-CD2 3.9Å; F534-L632 HydrophobicContact CE2-CG 4.5Å; F534-L632 HydrophobicContact CZ-CD2 4.2Å; F534-V636 HydrophobicContact CD2-CG1 4.4Å; F534-V636 HydrophobicContact CE2-CG1 3.35Å; F534-V636 HydrophobicContact CZ-CG1 3.5Å; F534-V636 VanDerWaalsContact CZ-CG1 3.5Å; F534-D640 PolarHBondContact N-O 3.36Å; F534-D640 VanDerWaalsContact N-O 3.1Å; F534-F642 WeakPolarHBondContact O-CB 3.41Å; F534-F642 PolarHBondContact O-N 3.01Å; F534-F642 VanDerWaalsContact O-N 3.07Å
535	I	96.4	Very high	91.9	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-44.7	-178.1	-62.5	175	0	0	0	112.4	F524 V548 I555 A622 F642 L646	F524-I535 HydrophobicContact CD2-CG2 4.48Å; F524-I535 HydrophobicContact CE2-CD1 4.29Å; F524-I535 HydrophobicContact CE2-CG2 3.84Å; F524-I535 HydrophobicContact CZ-CG2 3.92Å; I535-V548 WeakPolarHBondContact CA-O 3.39Å; I535-V548 WeakPolarHBondContact CB-O 3.17Å; I535-V548 PolarHBondContact N-O 3.28Å; I535-I555 HydrophobicContact CD1-CD1 3.59Å; I535-A622 PolarHBondContact O-N 3.13Å; I535-F642 HydrophobicContact CD1-CD2 4.2Å; I535-F642 HydrophobicContact CD1-CE2 4.4Å; I535-F642 HydrophobicContact CG1-CB 4.16Å; I535-F642 HydrophobicContact CG1-CD2 3.76Å; I535-F642 HydrophobicContact CG1-CE2 4.38Å; I535-F642 HydrophobicContact CG1-CG 4.09Å; I535-L646 HydrophobicContact CG2-CD1 4.37Å; I535-L646 HydrophobicContact CG2-CD2 4.02Å
536	L	96.3	Very high	91.9	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	136.9	-176.7	-179.9	152.9	0	0	0	110.5	L522 F534 I546 A547 V548 L619 Y620 M621 L651	L522-L536 HydrophobicContact CD1-CD1 4.36Å; F534-L536 VanDerWaalsContact CE1-O 3.3Å; F534-L536 WeakPolarHBondContact CE1-O 3.27Å; L536-I546 HydrophobicContact CD2-CG1 4.24Å; L536-I546 HydrophobicContact CD2-CG2 4.24Å; L536-A547 CarbonylContact O-C 3.59Å; L536-A547 VanDerWaalsContact O-CA 3.27Å; L536-A547 WeakPolarHBondContact O-CA 3.39Å; L536-V548 HydrophobicContact CB-CB 4.11Å; L536-V548 HydrophobicContact CB-CG2 4.25Å; L536-V548 HydrophobicContact CD2-CG2 4.37Å; L536-V548 PolarHBondContact N-O 2.7Å; L536-V548 PolarHBondContact O-N 2.81Å; L536-L619 HydrophobicContact CD1-CD1 4.2Å; L536-L619 HydrophobicContact CD2-CD1 3.87Å; L536-L619 HydrophobicContact CG-CD1 3.81Å; L536-Y620 CarbonylContact C-O 3.53Å; L536-Y620 WeakPolarHBondContact CA-O 3.31Å; L536-M621 HydrophobicContact CB-SD 4.34Å; L536-M621 HydrophobicContact CD1-CE 4.42Å; L536-M621 HydrophobicContact CD1-SD 3.89Å; L536-M621 HydrophobicContact CG-SD 4.04Å; L536-L651 HydrophobicContact CD1-CD2 4.09Å
537	F	96.3	Very high	91.8	Very high	15 Å²	15	30.9 Å²	30.9	7%	0.066	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	134.2	172.6	-176.2	-106.9	0	0	0	112.7	F534 F545 I546 A547 Y620 L624 M628 L632	F534-F537 HydrophobicContact CD1-CB 4.27Å; F534-F537 HydrophobicContact CE1-CB 3.61Å; F534-F537 HydrophobicContact CE1-CD2 4.02Å; F534-F537 HydrophobicContact CE1-CG 4.19Å; F534-F537 HydrophobicContact CZ-CB 4.11Å; F534-F537 AromaticContact CZ-CD2 3.77Å; F534-F537 HydrophobicContact CZ-CD2 3.77Å; F534-F537 HydrophobicContact CZ-CG 4.2Å; F537-F545 HydrophobicContact CE2-CB 4.23Å; F537-F545 HydrophobicContact CE2-CD2 4.13Å; F537-F545 HydrophobicContact CE2-CG 4.46Å; F537-I546 CarbonylContact C-O 3.6Å; F537-I546 WeakPolarHBondContact CA-O 3.3Å; F537-I546 WeakPolarHBondContact CD2-O 3.35Å; F537-A547 HydrophobicContact CD2-CB 4.03Å; F537-Y620 HydrophobicContact CD1-CD2 4.44Å; F537-Y620 PolarHBondContact N-O 2.9Å; F537-Y620 PolarHBondContact O-N 2.63Å; F537-L624 HydrophobicContact CB-CD2 3.77Å; F537-L624 HydrophobicContact CD1-CD2 3.71Å; F537-L624 HydrophobicContact CG-CD2 3.96Å; F537-M628 HydrophobicContact CD1-CE 4.49Å; F537-M628 HydrophobicContact CE1-CE 4.28Å; F537-L632 HydrophobicContact CE2-CD2 4.28Å; F537-L632 HydrophobicContact CZ-CD2 4.44Å
538	N	95.8	Very high	92	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	128.1	163.9	-144.6	135.5	0	0	0	108.8	L514 F545 I546 L615 K616 G617 L619	L514-N538 PolarHBondContact N-OD1 2.76Å; N538-F545 VanDerWaalsContact O-CA 3.29Å; N538-F545 WeakPolarHBondContact O-CA 3.42Å; N538-F545 WeakPolarHBondContact O-CB 3.2Å; N538-I546 HydrophobicContact CB-CG2 3.75Å; N538-I546 PolarHBondContact N-O 2.86Å; N538-I546 PolarHBondContact O-N 2.59Å; N538-L615 HydrophobicContact CB-CD1 4Å; N538-L615 HydrophobicContact CB-CD2 4.18Å; N538-L615 HydrophobicContact CB-CG 4.5Å; N538-K616 PolarHBondContact ND2-O 2.91Å; N538-K616 VanDerWaalsContact ND2-O 3.14Å; N538-G617 PolarHBondContact ND2-O 3.17Å; N538-G617 VanDerWaalsContact ND2-O 3.17Å; N538-L619 HydrophobicContact CB-CD1 3.84Å; N538-L619 WeakPolarHBondContact OD1-CB 3.35Å
539	S	93.2	Very high	92.2	Very high	49 Å²	49	29.4 Å²	29.4	34%	0.343	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	166.9	165.9	46.9	0	0	0	0	111.8	D544 L615 K616	S539-D544 CarbonylContact C-O 3.57Å; S539-L615 WeakPolarHBondContact O-CA 3.44Å; S539-K616 PolarHBondContact O-N 2.67Å; S539-K616 PolarHBondContact OG-O 3.36Å
540	G	89.1	Confident	92.7	Very high	17 Å²	17	24.9 Å²	24.9	18%	0.175	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-140.2	-170.3	175.8	0	0	0	0	0	113.7	D544 D614	G540-D544 WeakPolarHBondContact CA-O 3.32Å; G540-D544 PolarHBondContact N-O 2.88Å; G540-D614 CarbonylContact C-O 3.42Å; G540-D614 WeakPolarHBondContact CA-O 3.4Å
541	D	84.6	Confident	93	Very high	87 Å²	87	24.9 Å²	24.9	47%	0.465	16%	0.163	S	C	.	.	S	Bend	trans	-68.2	132.8	173.8	-80.4	-28.4	0	0	0	110.5	N543 D544 D614 K616	D541-N543 PolarHBondContact O-N 3.45Å; D541-N543 VanDerWaalsContact O-N 3.14Å; D541-D544 PolarHBondContact O-N 2.87Å; D541-D614 HydrophobicContact CB-CB 4.49Å; D541-D614 PolarHBondContact N-O 2.86Å; D541-K616 WeakPolarHBondContact OD1-CE 3.1Å; D541-K616 WeakPolarHBondContact OD1-CG 3.4Å; D541-K616 WeakPolarHBondContact OD2-CE 3.46Å; D541-K616 IonicContact OD2-NZ 3.2Å; D541-K616 PolarHBondContact OD2-NZ 2.77Å
542	G	85.6	Confident	93.2	Very high	79 Å²	79	31 Å²	31	81%	0.814	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.9	-108.2	179.4	0	0	0	0	0	113
543	N	87.3	Confident	93.2	Very high	126 Å²	126	27.8 Å²	27.8	67%	0.674	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-2.4	179.5	-69.6	-35.3	0	0	0	112.9	D541 F545	D541-N543 PolarHBondContact O-N 3.45Å; D541-N543 VanDerWaalsContact O-N 3.14Å; N543-F545 WeakPolarHBondContact O-CD1 3.49Å; N543-F545 PolarHBondContact O-N 2.88Å
544	D	90.9	Very high	93.4	Very high	17 Å²	17	31.3 Å²	31.3	9%	0.091	18%	0.181	C	C	.	.			trans	-60.7	136.2	-177.8	-82.2	28.2	0	0	0	110.9	S539 G540 D541 G562 L613 D614	S539-D544 CarbonylContact C-O 3.57Å; G540-D544 WeakPolarHBondContact CA-O 3.32Å; G540-D544 PolarHBondContact N-O 2.88Å; D541-D544 PolarHBondContact O-N 2.87Å; D544-G562 WeakPolarHBondContact OD1-CA 3.41Å; D544-G562 PolarHBondContact OD1-N 3.05Å; D544-L613 HydrophobicContact CB-CD1 4.46Å; D544-D614 PolarHBondContact OD2-N 2.93Å
545	F	94	Very high	93.7	Very high	9 Å²	9	31.3 Å²	31.3	4%	0.039	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	162.4	169.9	73.1	-84.9	0	0	0	111.6	F537 N538 N543 A547 V558 F559 D560 P565 P633 V636	F537-F545 HydrophobicContact CE2-CB 4.23Å; F537-F545 HydrophobicContact CE2-CD2 4.13Å; F537-F545 HydrophobicContact CE2-CG 4.46Å; N538-F545 VanDerWaalsContact O-CA 3.29Å; N538-F545 WeakPolarHBondContact O-CA 3.42Å; N538-F545 WeakPolarHBondContact O-CB 3.2Å; N543-F545 WeakPolarHBondContact O-CD1 3.49Å; N543-F545 PolarHBondContact O-N 2.88Å; F545-A547 HydrophobicContact CD2-CB 4.18Å; F545-A547 HydrophobicContact CE2-CB 4.15Å; F545-V558 HydrophobicContact CE2-CB 4.23Å; F545-V558 HydrophobicContact CE2-CG1 3.84Å; F545-V558 HydrophobicContact CZ-CG1 3.87Å; F545-F559 VanDerWaalsContact O-CA 3.24Å; F545-F559 WeakPolarHBondContact O-CA 3.47Å; F545-F559 WeakPolarHBondContact O-CB 3.44Å; F545-D560 HydrophobicContact CD1-CB 3.74Å; F545-D560 HydrophobicContact CE1-CB 3.6Å; F545-D560 PolarHBondContact N-O 2.92Å; F545-D560 PolarHBondContact O-N 2.98Å; F545-P565 HydrophobicContact CE1-CB 4.03Å; F545-P565 HydrophobicContact CZ-CB 3.96Å; F545-P633 HydrophobicContact CD1-CB 4.07Å; F545-P633 HydrophobicContact CD1-CG 3.64Å; F545-P633 HydrophobicContact CD2-CG 4.07Å; F545-P633 HydrophobicContact CE1-CB 3.42Å; F545-P633 VanDerWaalsContact CE1-CB 3.42Å; F545-P633 HydrophobicContact CE1-CG 3.54Å; F545-P633 HydrophobicContact CE2-CB 4.11Å; F545-P633 HydrophobicContact CE2-CG 3.99Å; F545-P633 HydrophobicContact CG-CG 3.92Å; F545-P633 HydrophobicContact CZ-CB 3.45Å; F545-P633 VanDerWaalsContact CZ-CB 3.45Å; F545-P633 HydrophobicContact CZ-CG 3.73Å; F545-V636 HydrophobicContact CE2-CG2 3.77Å; F545-V636 HydrophobicContact CZ-CG2 4.25Å
546	I	95.6	Very high	93.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.7	163	179.8	161.3	0	0	0	109.7	L514 M520 L522 L536 F537 N538 Y557 L613 L615	L514-I546 HydrophobicContact CD2-CD1 4.47Å; L514-I546 HydrophobicContact CD2-CG2 4.3Å; M520-I546 HydrophobicContact CE-CD1 3.67Å; M520-I546 HydrophobicContact SD-CD1 3.47Å; M520-I546 WeakPolarHBondContact SD-CD1 3.13Å; L522-I546 HydrophobicContact CD1-CD1 3.9Å; L536-I546 HydrophobicContact CD2-CG1 4.24Å; L536-I546 HydrophobicContact CD2-CG2 4.24Å; F537-I546 CarbonylContact C-O 3.6Å; F537-I546 WeakPolarHBondContact CA-O 3.3Å; F537-I546 WeakPolarHBondContact CD2-O 3.35Å; N538-I546 HydrophobicContact CB-CG2 3.75Å; N538-I546 PolarHBondContact N-O 2.86Å; N538-I546 PolarHBondContact O-N 2.59Å; I546-Y557 HydrophobicContact CD1-CE2 3.76Å; I546-Y557 HydrophobicContact CG1-CD2 4.46Å; I546-Y557 HydrophobicContact CG1-CE2 3.93Å; I546-L613 HydrophobicContact CB-CD2 4.33Å; I546-L615 HydrophobicContact CG2-CD1 3.87Å; I546-L615 HydrophobicContact CG2-CD2 4.09Å
547	A	96.7	Very high	93.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	139.7	173	0	0	0	0	0	110.6	F534 L536 F537 F545 V558 V636	F534-A547 HydrophobicContact CE1-CB 3.82Å; F534-A547 HydrophobicContact CZ-CB 3.88Å; L536-A547 CarbonylContact O-C 3.59Å; L536-A547 VanDerWaalsContact O-CA 3.27Å; L536-A547 WeakPolarHBondContact O-CA 3.39Å; F537-A547 HydrophobicContact CD2-CB 4.03Å; F545-A547 HydrophobicContact CD2-CB 4.18Å; F545-A547 HydrophobicContact CE2-CB 4.15Å; A547-V558 HydrophobicContact CB-CB 4.27Å; A547-V558 PolarHBondContact N-O 2.92Å; A547-V558 PolarHBondContact O-N 2.95Å; A547-V558 VanDerWaalsContact O-O 3.04Å; A547-V636 HydrophobicContact CB-CG2 4.02Å
548	V	98	Very high	93.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	127.8	166.1	-170.2	0	0	0	0	107.6	F524 I535 L536 I555 H556 I586	F524-V548 HydrophobicContact CE1-CG1 4.31Å; F524-V548 HydrophobicContact CZ-CG1 3.93Å; I535-V548 WeakPolarHBondContact CA-O 3.39Å; I535-V548 WeakPolarHBondContact CB-O 3.17Å; I535-V548 PolarHBondContact N-O 3.28Å; L536-V548 HydrophobicContact CB-CB 4.11Å; L536-V548 HydrophobicContact CB-CG2 4.25Å; L536-V548 HydrophobicContact CD2-CG2 4.37Å; L536-V548 PolarHBondContact N-O 2.7Å; L536-V548 PolarHBondContact O-N 2.81Å; V548-I555 HydrophobicContact CG1-CG2 4.12Å; V548-H556 WeakPolarHBondContact CA-O 3.45Å; V548-I586 HydrophobicContact CB-CD1 4.46Å; V548-I586 HydrophobicContact CG1-CD1 4.1Å; V548-I586 HydrophobicContact CG2-CD1 3.45Å; V548-I586 VanDerWaalsContact CG2-CD1 3.45Å
549	E	97.1	Very high	93.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	154.9	-174.7	59	173	177.8	0	0	111.1	V551 I555 H556 A637 S638	E549-V551 HydrophobicContact CG-CG2 3.82Å; E549-I555 WeakPolarHBondContact O-CA 3.46Å; E549-H556 HydrophobicContact CG-CB 3.94Å; E549-H556 PolarHBondContact N-O 2.86Å; E549-H556 PolarHBondContact O-N 2.89Å; E549-H556 IonicContact OE1-ND1 3.19Å; E549-A637 PolarHBondContact OE1-N 3.29Å; E549-A637 PolarHBondContact OE2-N 2.96Å; E549-A637 VanDerWaalsContact OE2-N 3.12Å; E549-S638 WeakPolarHBondContact CB-OG 3.39Å; E549-S638 WeakPolarHBondContact OE2-CB 3.29Å; E549-S638 PolarHBondContact OE2-N 3.05Å; E549-S638 PolarHBondContact OE2-OG 3.13Å
550	L	96.7	Very high	93.6	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.9	167.8	-162.6	73.9	0	0	0	108.4	F526 T528 S530 D532 G533 I555 L576 N577	F526-L550 HydrophobicContact CE2-CD1 4.22Å; F526-L550 HydrophobicContact CE2-CD2 4.47Å; F526-L550 HydrophobicContact CZ-CD1 4.12Å; T528-L550 HydrophobicContact CG2-CD2 3.74Å; S530-L550 WeakPolarHBondContact O-CD2 3.3Å; D532-L550 VanDerWaalsContact CA-O 3.29Å; D532-L550 WeakPolarHBondContact CA-O 3.3Å; G533-L550 PolarHBondContact N-O 3.16Å; G533-L550 PolarHBondContact O-N 2.91Å; L550-I555 HydrophobicContact CD1-CD1 3.69Å; L550-I555 HydrophobicContact CD1-CG1 3.99Å; L550-L576 HydrophobicContact CD1-CB 4.43Å; L550-L576 HydrophobicContact CD1-CD1 4.5Å; L550-N577 HydrophobicContact CD2-CB 4.4Å
551	V	95.5	Very high	93.5	Very high	19 Å²	19	29.1 Å²	29.1	12%	0.115	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	117.4	-178.4	-177.7	0	0	0	0	109.3	A531 D532 E549 G553 Y554 H556 A637	A531-V551 CarbonylContact O-C 3.57Å; D532-V551 WeakPolarHBondContact OD1-CA 3.41Å; E549-V551 HydrophobicContact CG-CG2 3.82Å; V551-G553 PolarHBondContact O-N 3.1Å; V551-G553 VanDerWaalsContact O-N 3.12Å; V551-Y554 PolarHBondContact N-O 3.36Å; V551-Y554 PolarHBondContact O-N 3.02Å; V551-H556 WeakPolarHBondContact CG2-ND1 3.46Å; V551-A637 HydrophobicContact CG1-CB 4.11Å; V551-A637 HydrophobicContact CG2-CB 3.87Å
552	K	93.6	Very high	93.5	Very high	158 Å²	158	27.3 Å²	27.3	69%	0.687	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	31.4	-173.4	-56.9	-178.8	179.4	-177.3	0	113.4	A531 D532 Y554	A531-K552 CarbonylContact O-C 3.43Å; A531-K552 PolarHBondContact O-N 3.08Å; A531-K552 VanDerWaalsContact O-N 3.1Å; D532-K552 PolarHBondContact OD1-N 2.74Å; K552-Y554 VanDerWaalsContact O-CD2 3.27Å; K552-Y554 WeakPolarHBondContact O-CD2 2.89Å; K552-Y554 WeakPolarHBondContact O-CE2 3.5Å
553	G	91.1	Very high	93.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	7.1	-178.2	0	0	0	0	0	115.3	A531 V551 L576	A531-G553 PolarHBondContact O-N 2.71Å; V551-G553 PolarHBondContact O-N 3.1Å; V551-G553 VanDerWaalsContact O-N 3.12Å; G553-L576 WeakPolarHBondContact O-CB 3.2Å; G553-L576 WeakPolarHBondContact O-CG 3.16Å; G553-L576 PolarHBondContact O-N 2.68Å
554	Y	96.2	Very high	93.5	Very high	76 Å²	76	23.5 Å²	23.5	30%	0.298	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.9	177.4	-60.5	-89.4	0	0	0	110.5	V551 K552 H556 S572 P575	V551-Y554 PolarHBondContact N-O 3.36Å; V551-Y554 PolarHBondContact O-N 3.02Å; K552-Y554 VanDerWaalsContact O-CD2 3.27Å; K552-Y554 WeakPolarHBondContact O-CD2 2.89Å; K552-Y554 WeakPolarHBondContact O-CE2 3.5Å; Y554-H556 PolarHBondContact O-N 3.07Å; Y554-S572 VanDerWaalsContact CD1-OG 3.27Å; Y554-S572 WeakPolarHBondContact CD1-OG 3.18Å; Y554-S572 WeakPolarHBondContact CE1-OG 3.48Å; Y554-P575 HydrophobicContact CE2-CG 4.32Å
555	I	97.6	Very high	93.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	127.6	175.2	-68.7	-70.6	0	0	0	109.1	F526 I535 V548 E549 L550 G570 L576 V584 L596 V598	F526-I555 HydrophobicContact CD1-CD1 4.33Å; F526-I555 HydrophobicContact CE1-CD1 3.67Å; F526-I555 HydrophobicContact CE1-CG1 3.82Å; F526-I555 HydrophobicContact CZ-CD1 3.81Å; F526-I555 HydrophobicContact CZ-CG1 3.95Å; I535-I555 HydrophobicContact CD1-CD1 3.59Å; V548-I555 HydrophobicContact CG1-CG2 4.12Å; E549-I555 WeakPolarHBondContact O-CA 3.46Å; L550-I555 HydrophobicContact CD1-CD1 3.69Å; L550-I555 HydrophobicContact CD1-CG1 3.99Å; I555-G570 PolarHBondContact O-N 2.9Å; I555-L576 HydrophobicContact CB-CD1 4.46Å; I555-L576 HydrophobicContact CG1-CD1 3.82Å; I555-V584 HydrophobicContact CD1-CG2 4.39Å; I555-V584 HydrophobicContact CG1-CG2 4.14Å; I555-V584 HydrophobicContact CG2-CG1 4.4Å; I555-L596 HydrophobicContact CG2-CD1 4.05Å; I555-L596 HydrophobicContact CG2-CD2 4.19Å; I555-V598 HydrophobicContact CB-CG2 4.33Å
556	H	97	Very high	93.5	Very high	22 Å²	22	26.8 Å²	26.8	10%	0.102	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.9	165.2	-66.8	174.2	0	0	0	109.3	V548 E549 V551 Y554 V558 V567	V548-H556 WeakPolarHBondContact CA-O 3.45Å; E549-H556 HydrophobicContact CG-CB 3.94Å; E549-H556 PolarHBondContact N-O 2.86Å; E549-H556 PolarHBondContact O-N 2.89Å; E549-H556 IonicContact OE1-ND1 3.19Å; V551-H556 WeakPolarHBondContact CG2-ND1 3.46Å; Y554-H556 PolarHBondContact O-N 3.07Å; H556-V558 HydrophobicContact CB-CG2 4.19Å; H556-V567 HydrophobicContact CB-CG2 4.15Å
557	Y	97.2	Very high	93.5	Very high	1 Å²	1	29 Å²	29	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	114.1	165.2	165.4	-144	0	0	0	107.7	M520 I546 F559 V567 I568 I586 H594	M520-Y557 HydrophobicContact CE-CE2 4.38Å; I546-Y557 HydrophobicContact CD1-CE2 3.76Å; I546-Y557 HydrophobicContact CG1-CD2 4.46Å; I546-Y557 HydrophobicContact CG1-CE2 3.93Å; Y557-F559 HydrophobicContact CD1-CD1 4.12Å; Y557-F559 HydrophobicContact CD1-CE1 4.06Å; Y557-F559 AromaticContact CD2-CD1 3.9Å; Y557-F559 HydrophobicContact CD2-CD1 3.9Å; Y557-F559 AromaticContact CE1-CD1 3.66Å; Y557-F559 HydrophobicContact CE1-CD1 3.66Å; Y557-F559 AromaticContact CE1-CE1 3.57Å; Y557-F559 HydrophobicContact CE1-CE1 3.57Å; Y557-F559 HydrophobicContact CE1-CZ 4.5Å; Y557-F559 HydrophobicContact CE2-CB 3.92Å; Y557-F559 AromaticContact CE2-CD1 3.39Å; Y557-F559 HydrophobicContact CE2-CD1 3.39Å; Y557-F559 HydrophobicContact CE2-CE1 4.19Å; Y557-F559 AromaticContact CE2-CG 3.93Å; Y557-F559 HydrophobicContact CE2-CG 3.93Å; Y557-F559 HydrophobicContact CG-CD1 4.23Å; Y557-F559 AromaticContact CZ-CD1 3.24Å; Y557-F559 AromaticContact CZ-CE1 3.64Å; Y557-F559 AromaticContact CZ-CG 3.87Å; Y557-V567 CarbonylContact O-C 3.01Å; Y557-V567 WeakPolarHBondContact O-CA 3.4Å; Y557-I568 HydrophobicContact CD1-CB 4.25Å; Y557-I568 HydrophobicContact CD1-CD1 4.03Å; Y557-I568 HydrophobicContact CD1-CG1 4.44Å; Y557-I568 HydrophobicContact CE1-CD1 4.17Å; Y557-I568 PolarHBondContact N-O 2.87Å; Y557-I568 PolarHBondContact O-N 2.84Å; Y557-I586 HydrophobicContact CD1-CG2 3.59Å; Y557-I586 HydrophobicContact CD2-CD1 4.29Å; Y557-I586 HydrophobicContact CD2-CG2 4.23Å; Y557-I586 HydrophobicContact CE1-CG2 3.46Å; Y557-I586 VanDerWaalsContact CE1-CG2 3.46Å; Y557-I586 HydrophobicContact CE2-CG2 4.14Å; Y557-I586 HydrophobicContact CG-CD1 4.14Å; Y557-I586 HydrophobicContact CG-CG2 3.99Å; Y557-H594 HydrophobicContact CE1-CB 4.26Å; Y557-H594 AromaticContact CE1-ND1 3.56Å; Y557-H594 AromaticContact CZ-ND1 3.66Å; Y557-H594 PolarHBondContact OH-CE1 2.91Å; Y557-H594 PolarHBondContact OH-ND1 2.95Å
558	V	96.1	Very high	93.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.8	-177.5	-166	0	0	0	0	108.7	F545 A547 H556 N566 V567 L635 V636	F545-V558 HydrophobicContact CE2-CB 4.23Å; F545-V558 HydrophobicContact CE2-CG1 3.84Å; F545-V558 HydrophobicContact CZ-CG1 3.87Å; A547-V558 HydrophobicContact CB-CB 4.27Å; A547-V558 PolarHBondContact N-O 2.92Å; A547-V558 PolarHBondContact O-N 2.95Å; A547-V558 VanDerWaalsContact O-O 3.04Å; H556-V558 HydrophobicContact CB-CG2 4.19Å; V558-N566 VanDerWaalsContact CA-O 3.3Å; V558-N566 WeakPolarHBondContact CA-O 3.31Å; V558-N566 VanDerWaalsContact CG1-O 3.3Å; V558-N566 WeakPolarHBondContact CG1-O 3.47Å; V558-V567 HydrophobicContact CG2-CB 4.26Å; V558-V567 HydrophobicContact CG2-CG2 3.94Å; V558-L635 HydrophobicContact CG1-CB 3.83Å; V558-V636 HydrophobicContact CB-CG2 4.28Å; V558-V636 HydrophobicContact CG1-CG2 4.03Å
559	F	94.1	Very high	93.3	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	159.6	-178.4	59.9	-84.2	0	0	0	112.2	F545 Y557 L561 P565 N566 I568 H594 I607	F545-F559 VanDerWaalsContact O-CA 3.24Å; F545-F559 WeakPolarHBondContact O-CA 3.47Å; F545-F559 WeakPolarHBondContact O-CB 3.44Å; Y557-F559 HydrophobicContact CD1-CD1 4.12Å; Y557-F559 HydrophobicContact CD1-CE1 4.06Å; Y557-F559 AromaticContact CD2-CD1 3.9Å; Y557-F559 HydrophobicContact CD2-CD1 3.9Å; Y557-F559 AromaticContact CE1-CD1 3.66Å; Y557-F559 HydrophobicContact CE1-CD1 3.66Å; Y557-F559 AromaticContact CE1-CE1 3.57Å; Y557-F559 HydrophobicContact CE1-CE1 3.57Å; Y557-F559 HydrophobicContact CE1-CZ 4.5Å; Y557-F559 HydrophobicContact CE2-CB 3.92Å; Y557-F559 AromaticContact CE2-CD1 3.39Å; Y557-F559 HydrophobicContact CE2-CD1 3.39Å; Y557-F559 HydrophobicContact CE2-CE1 4.19Å; Y557-F559 AromaticContact CE2-CG 3.93Å; Y557-F559 HydrophobicContact CE2-CG 3.93Å; Y557-F559 HydrophobicContact CG-CD1 4.23Å; Y557-F559 AromaticContact CZ-CD1 3.24Å; Y557-F559 AromaticContact CZ-CE1 3.64Å; Y557-F559 AromaticContact CZ-CG 3.87Å; F559-L561 HydrophobicContact CD2-CD2 4.43Å; F559-L561 HydrophobicContact CD2-CG 4.09Å; F559-L561 HydrophobicContact CE2-CD1 4.37Å; F559-L561 HydrophobicContact CE2-CG 4.38Å; F559-P565 CarbonylContact O-C 3.6Å; F559-P565 WeakPolarHBondContact O-CA 3.46Å; F559-N566 HydrophobicContact CE1-CB 4.23Å; F559-N566 HydrophobicContact CE2-CB 4.06Å; F559-N566 HydrophobicContact CZ-CB 3.91Å; F559-N566 PolarHBondContact N-O 2.87Å; F559-N566 PolarHBondContact O-N 2.62Å; F559-I568 HydrophobicContact CE1-CD1 3.99Å; F559-I568 HydrophobicContact CE1-CG1 4.16Å; F559-I568 HydrophobicContact CZ-CD1 4.39Å; F559-H594 AromaticContact CD2-CE1 3.73Å; F559-H594 AromaticContact CE1-CE1 3.99Å; F559-H594 AromaticContact CE1-ND1 3.71Å; F559-H594 AromaticContact CE2-CE1 3.15Å; F559-H594 WeakPolarHBondContact CE2-CE1 3.35Å; F559-H594 AromaticContact CE2-ND1 3.74Å; F559-H594 AromaticContact CE2-NE2 3.56Å; F559-H594 AromaticContact CZ-CD2 4Å; F559-H594 AromaticContact CZ-CE1 3.3Å; F559-H594 WeakPolarHBondContact CZ-CE1 3.37Å; F559-H594 AromaticContact CZ-CG 3.8Å; F559-H594 AromaticContact CZ-ND1 3.37Å; F559-H594 WeakPolarHBondContact CZ-ND1 3.27Å; F559-H594 AromaticContact CZ-NE2 3.74Å; F559-I607 HydrophobicContact CE2-CG1 4.15Å; F559-I607 HydrophobicContact CZ-CD1 4.49Å; F559-I607 HydrophobicContact CZ-CG1 3.88Å
560	D	91.9	Very high	93	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.037	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	140.4	166.6	-162.3	-18.1	0	0	0	109.1	F545 G562 N563 G564 P565 L613	F545-D560 HydrophobicContact CD1-CB 3.74Å; F545-D560 HydrophobicContact CE1-CB 3.6Å; F545-D560 PolarHBondContact N-O 2.92Å; F545-D560 PolarHBondContact O-N 2.98Å; D560-G562 PolarHBondContact OD1-N 2.92Å; D560-N563 PolarHBondContact OD1-N 2.76Å; D560-G564 WeakPolarHBondContact OD1-CA 3.23Å; D560-G564 PolarHBondContact OD1-N 3Å; D560-G564 WeakPolarHBondContact OD2-CA 3.4Å; D560-G564 PolarHBondContact OD2-N 3.08Å; D560-P565 WeakPolarHBondContact OD2-CD 2.94Å; D560-L613 WeakPolarHBondContact O-CD1 3.29Å
561	L	87.7	Confident	92.6	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.042	22%	0.215	C	C	.	.	S	Bend	trans	-118.5	39.3	177.2	-53.6	177.8	0	0	0	109	F559 N563 A610 L613	F559-L561 HydrophobicContact CD2-CD2 4.43Å; F559-L561 HydrophobicContact CD2-CG 4.09Å; F559-L561 HydrophobicContact CE2-CD1 4.37Å; F559-L561 HydrophobicContact CE2-CG 4.38Å; L561-N563 VanDerWaalsContact C-N 3.28Å; L561-N563 PolarHBondContact O-N 2.96Å; L561-N563 PolarHBondContact O-ND2 3.41Å; L561-A610 VanDerWaalsContact O-CB 3.26Å; L561-A610 WeakPolarHBondContact O-CB 3.34Å; L561-L613 HydrophobicContact CD2-CB 3.67Å; L561-L613 HydrophobicContact CD2-CD1 3.64Å; L561-L613 HydrophobicContact CD2-CG 4.14Å
562	G	84.1	Confident	92.3	Very high	49 Å²	49	39.4 Å²	39.4	51%	0.505	22%	0.217	S	C	.	.	S	Bend	trans	68.3	15.4	-172.9	0	0	0	0	0	116.1	D544 D560	D544-G562 WeakPolarHBondContact OD1-CA 3.41Å; D544-G562 PolarHBondContact OD1-N 3.05Å; D560-G562 PolarHBondContact OD1-N 2.92Å
563	N	85.1	Confident	92	Very high	99 Å²	99	38 Å²	38	53%	0.529	22%	0.217	S	C	.	.	S	Bend	trans	-121.8	6.6	-178.3	-71.3	-94	0	0	0	113.5	D560 L561 A610	D560-N563 PolarHBondContact OD1-N 2.76Å; L561-N563 VanDerWaalsContact C-N 3.28Å; L561-N563 PolarHBondContact O-N 2.96Å; L561-N563 PolarHBondContact O-ND2 3.41Å; N563-A610 WeakPolarHBondContact ND2-CB 3.12Å; N563-A610 PolarHBondContact ND2-N 3.06Å
564	G	88.1	Confident	92.1	Very high	27 Å²	27	47.1 Å²	47.1	28%	0.278	25%	0.251	S	S	.	.			trans	106.1	149.4	-176.6	0	0	0	0	0	111.6	D560 N566	D560-G564 WeakPolarHBondContact OD1-CA 3.23Å; D560-G564 PolarHBondContact OD1-N 3Å; D560-G564 WeakPolarHBondContact OD2-CA 3.4Å; D560-G564 PolarHBondContact OD2-N 3.08Å; G564-N566 PolarHBondContact O-N 3.47Å; G564-N566 PolarHBondContact O-ND2 2.84Å
565	P	91.4	Very high	91.9	Very high	51 Å²	51	46.2 Å²	46.2	33%	0.331	26%	0.255	S	S	.	.			trans	-67.9	135.7	-175.1	27.9	-35.8	0	0	0	110.9	F545 F559 D560 L635	F545-P565 HydrophobicContact CE1-CB 4.03Å; F545-P565 HydrophobicContact CZ-CB 3.96Å; F559-P565 CarbonylContact O-C 3.6Å; F559-P565 WeakPolarHBondContact O-CA 3.46Å; D560-P565 WeakPolarHBondContact OD2-CD 2.94Å; P565-L635 HydrophobicContact CB-CB 4.3Å; P565-L635 HydrophobicContact CB-CD1 3.93Å; P565-L635 HydrophobicContact CB-CG 4.05Å; P565-L635 HydrophobicContact CG-CD1 4.12Å; P565-L635 HydrophobicContact CG-CG 4Å; P565-L635 WeakPolarHBondContact O-CD1 3.49Å
566	N	93.4	Very high	91.8	Very high	44 Å²	44	46.4 Å²	46.4	24%	0.235	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	154.9	174.9	-77.3	-93.3	0	0	0	109.8	V558 F559 G564	V558-N566 VanDerWaalsContact CA-O 3.3Å; V558-N566 WeakPolarHBondContact CA-O 3.31Å; V558-N566 VanDerWaalsContact CG1-O 3.3Å; V558-N566 WeakPolarHBondContact CG1-O 3.47Å; F559-N566 HydrophobicContact CE1-CB 4.23Å; F559-N566 HydrophobicContact CE2-CB 4.06Å; F559-N566 HydrophobicContact CZ-CB 3.91Å; F559-N566 PolarHBondContact N-O 2.87Å; F559-N566 PolarHBondContact O-N 2.62Å; G564-N566 PolarHBondContact O-N 3.47Å; G564-N566 PolarHBondContact O-ND2 2.84Å
567	V	94.8	Very high	91.5	Very high	47 Å²	47	47.3 Å²	47.3	29%	0.285	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	125.3	176.1	56.6	0	0	0	0	111.1	H556 Y557 V558 K569 L635	H556-V567 HydrophobicContact CB-CG2 4.15Å; Y557-V567 CarbonylContact O-C 3.01Å; Y557-V567 WeakPolarHBondContact O-CA 3.4Å; V558-V567 HydrophobicContact CG2-CB 4.26Å; V558-V567 HydrophobicContact CG2-CG2 3.94Å; V567-K569 HydrophobicContact CG2-CG 4.28Å; V567-L635 HydrophobicContact CB-CD1 4.47Å; V567-L635 HydrophobicContact CG1-CD1 4.14Å
568	I	96	Very high	91	Very high	2 Å²	2	51 Å²	51	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	123.7	170	-57.3	177.9	0	0	0	107.2	Y557 F559 H594 L596 V603 Q605	Y557-I568 HydrophobicContact CD1-CB 4.25Å; Y557-I568 HydrophobicContact CD1-CD1 4.03Å; Y557-I568 HydrophobicContact CD1-CG1 4.44Å; Y557-I568 HydrophobicContact CE1-CD1 4.17Å; Y557-I568 PolarHBondContact N-O 2.87Å; Y557-I568 PolarHBondContact O-N 2.84Å; F559-I568 HydrophobicContact CE1-CD1 3.99Å; F559-I568 HydrophobicContact CE1-CG1 4.16Å; F559-I568 HydrophobicContact CZ-CD1 4.39Å; I568-H594 HydrophobicContact CD1-CB 3.51Å; I568-L596 HydrophobicContact CG2-CB 3.96Å; I568-L596 HydrophobicContact CG2-CD2 4.19Å; I568-V603 HydrophobicContact CG2-CB 4.24Å; I568-V603 HydrophobicContact CG2-CG1 3.86Å; I568-Q605 HydrophobicContact CD1-CB 4Å; I568-Q605 HydrophobicContact CG1-CB 4.37Å
569	K	95	Very high	90.6	Very high	129 Å²	129	53 Å²	53	56%	0.561	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	134.8	178.3	-57.2	-169.2	175.7	-179	0	110.1	V567	V567-K569 HydrophobicContact CG2-CG 4.28Å
570	G	90.8	Very high	90.4	Very high	8 Å²	8	58.3 Å²	58.3	8%	0.082	32%	0.316	C	S	.	.			trans	-62.8	136.1	174.1	0	0	0	0	0	110.6	I555 S572 L596	I555-G570 PolarHBondContact O-N 2.9Å; G570-S572 PolarHBondContact O-N 3.35Å; G570-L596 VanDerWaalsContact N-CD2 3.34Å
571	N	87.6	Confident	90.4	Very high	76 Å²	76	61 Å²	61	41%	0.406	33%	0.326	S	S	.	.			trans	-92.2	94.5	176.5	178.2	12.1	0	0	0	108.8	K601 V603	N571-K601 HydrophobicContact CB-CB 4.41Å; N571-K601 WeakPolarHBondContact O-CB 3.43Å; N571-K601 WeakPolarHBondContact O-CD 3.48Å; N571-V603 HydrophobicContact CB-CG2 3.37Å
572	S	90.3	Very high	90.8	Very high	22 Å²	22	61.3 Å²	61.3	15%	0.154	33%	0.327	C	S	.	.			trans	-122.9	148.2	169.5	61.5	0	0	0	0	109.9	Y554 G570 R574	Y554-S572 VanDerWaalsContact CD1-OG 3.27Å; Y554-S572 WeakPolarHBondContact CD1-OG 3.18Å; Y554-S572 WeakPolarHBondContact CE1-OG 3.48Å; G570-S572 PolarHBondContact O-N 3.35Å; S572-R574 WeakPolarHBondContact CB-O 3.14Å; S572-R574 PolarHBondContact O-N 3.18Å; S572-R574 PolarHBondContact OG-O 3.29Å
573	D	87.3	Confident	91.2	Very high	128 Å²	128	60.6 Å²	60.6	68%	0.684	31%	0.312	S	S	*	.	S	Bend	trans	-76.1	-14.1	178	-63.8	-45.1	0	0	0	112.9	K601	D573-K601 IonicContact OD1-NZ 3.97Å; D573-K601 PolarHBondContact OD1-NZ 3.19Å; D573-K601 VanDerWaalsContact OD2-CE 3.31Å; D573-K601 WeakPolarHBondContact OD2-CE 3.04Å; D573-K601 IonicContact OD2-NZ 2.82Å; D573-K601 PolarHBondContact OD2-NZ 2.84Å
574	R	92.6	Very high	91.8	Very high	193 Å²	193	55.9 Å²	55.9	73%	0.728	29%	0.287	S	S	*	.	S	Bend	trans	-141.6	156.4	-174.4	-63.1	-175.6	-177.9	-178.4	1.1	110.5	S572	S572-R574 WeakPolarHBondContact CB-O 3.14Å; S572-R574 PolarHBondContact O-N 3.18Å; S572-R574 PolarHBondContact OG-O 3.29Å
575	P	92.3	Very high	92.1	Very high	57 Å²	57	55.3 Å²	55.3	37%	0.37	28%	0.278	S	S	.	.			trans	-55.4	134.9	163.4	-24	35.6	0	0	0	111.3	Y554 N577	Y554-P575 HydrophobicContact CE2-CG 4.32Å; P575-N577 VanDerWaalsContact C-N 3.28Å; P575-N577 WeakPolarHBondContact CB-OD1 3.48Å; P575-N577 PolarHBondContact O-N 2.75Å
576	L	95.3	Very high	92.2	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	26%	0.262	C	S	.	.	S	Bend	trans	-90.9	15.8	-174.7	-54.3	162.6	0	0	0	112.8	F526 L550 G553 I555 D578 H582 V598	F526-L576 HydrophobicContact CE2-CB 4.21Å; F526-L576 HydrophobicContact CZ-CB 3.72Å; F526-L576 HydrophobicContact CZ-CD1 4.09Å; F526-L576 HydrophobicContact CZ-CG 4.49Å; L550-L576 HydrophobicContact CD1-CB 4.43Å; L550-L576 HydrophobicContact CD1-CD1 4.5Å; G553-L576 WeakPolarHBondContact O-CB 3.2Å; G553-L576 WeakPolarHBondContact O-CG 3.16Å; G553-L576 PolarHBondContact O-N 2.68Å; I555-L576 HydrophobicContact CB-CD1 4.46Å; I555-L576 HydrophobicContact CG1-CD1 3.82Å; L576-D578 VanDerWaalsContact C-N 3.32Å; L576-H582 PolarHBondContact O-CD2 2.87Å; L576-H582 PolarHBondContact O-NE2 3.12Å; L576-V598 HydrophobicContact CD1-CG1 3.78Å; L576-V598 HydrophobicContact CD2-CG1 3.94Å
577	N	90.8	Very high	92.2	Very high	41 Å²	41	52.1 Å²	52.1	22%	0.219	26%	0.259	C	S	.	.			trans	-101.6	39	176.5	68.3	-73.4	0	0	0	111.1	T528 T529 S530 L550 P575	T528-N577 HydrophobicContact CG2-CB 4.13Å; T528-N577 CarbonylContact O-C 3.56Å; T528-N577 VanDerWaalsContact O-CA 3.29Å; T528-N577 WeakPolarHBondContact O-CA 3.46Å; T529-N577 PolarHBondContact O-ND2 2.81Å; T529-N577 VanDerWaalsContact O-ND2 3.1Å; S530-N577 WeakPolarHBondContact O-CB 3.21Å; L550-N577 HydrophobicContact CD2-CB 4.4Å; P575-N577 VanDerWaalsContact C-N 3.28Å; P575-N577 WeakPolarHBondContact CB-OD1 3.48Å; P575-N577 PolarHBondContact O-N 2.75Å
578	D	86.5	Confident	92.1	Very high	79 Å²	79	50 Å²	50	42%	0.422	25%	0.246	S	C	.	.	S	Bend	trans	-94	8.9	-175.7	71.7	-1.3	0	0	0	113.5	L576 Q580 H582	L576-D578 VanDerWaalsContact C-N 3.32Å; D578-Q580 VanDerWaalsContact C-N 3.25Å; D578-Q580 PolarHBondContact O-N 3.16Å; D578-Q580 VanDerWaalsContact OD1-CB 3.27Å; D578-Q580 WeakPolarHBondContact OD1-CB 3.2Å; D578-Q580 WeakPolarHBondContact OD1-CG 3.42Å; D578-Q580 PolarHBondContact OD1-N 3.24Å; D578-H582 IonicContact OD1-CE1 2.72Å; D578-H582 IonicContact OD1-NE2 2.65Å; D578-H582 PolarHBondContact OD1-NE2 2.74Å; D578-H582 VanDerWaalsContact OD1-NE2 3.17Å; D578-H582 IonicContact OD2-CE1 2.73Å; D578-H582 IonicContact OD2-NE2 2.73Å
579	N	86.7	Confident	91.6	Very high	41 Å²	41	52.8 Å²	52.8	22%	0.219	26%	0.261	C	S	.	.	S	Bend	trans	63.5	19.9	-175.8	-157.8	29.5	0	0	0	115.3	K527 T528 T529	K527-N579 WeakPolarHBondContact CD-O 3.5Å; K527-N579 WeakPolarHBondContact CE-O 3.43Å; K527-N579 VanDerWaalsContact CE-OD1 3.23Å; K527-N579 WeakPolarHBondContact CE-OD1 3.01Å; K527-N579 PolarHBondContact NZ-O 3.38Å; T528-N579 WeakPolarHBondContact O-CA 3.42Å; T528-N579 PolarHBondContact O-N 2.03Å; T529-N579 HydrophobicContact CG2-CB 3.91Å
580	Q	89.8	Confident	91	Very high	112 Å²	112	51.1 Å²	51.1	52%	0.523	27%	0.265	S	S	.	.	S	Bend	trans	-93.3	170.6	166.2	-55.7	-49.2	-49.2	0	0	111.8	K527 D578	K527-Q580 WeakPolarHBondContact CA-O 3.37Å; K527-Q580 VanDerWaalsContact CB-O 3.29Å; K527-Q580 WeakPolarHBondContact CB-O 3.16Å; K527-Q580 WeakPolarHBondContact CG-O 3.08Å; D578-Q580 VanDerWaalsContact C-N 3.25Å; D578-Q580 PolarHBondContact O-N 3.16Å; D578-Q580 VanDerWaalsContact OD1-CB 3.27Å; D578-Q580 WeakPolarHBondContact OD1-CB 3.2Å; D578-Q580 WeakPolarHBondContact OD1-CG 3.42Å; D578-Q580 PolarHBondContact OD1-N 3.24Å
581	W	93.3	Very high	90.7	Very high	65 Å²	65	54 Å²	54	25%	0.246	28%	0.284	C	S	.	.			trans	-86.8	123.5	170.8	-78.6	113.2	0	0	0	109.6	I496 P499 Q525 F526 K527 C645 A647 C673	I496-W581 HydrophobicContact CD1-CB 4.14Å; I496-W581 HydrophobicContact CD1-CD2 3.88Å; I496-W581 HydrophobicContact CD1-CE3 4.48Å; I496-W581 HydrophobicContact CD1-CG 3.73Å; I496-W581 HydrophobicContact CG2-CD2 4.44Å; I496-W581 HydrophobicContact CG2-CH2 3.99Å; I496-W581 HydrophobicContact CG2-CZ2 3.56Å; P499-W581 HydrophobicContact CB-CH2 4.17Å; P499-W581 HydrophobicContact CB-CZ2 4.18Å; Q525-W581 HydrophobicContact CB-CE3 3.88Å; Q525-W581 HydrophobicContact CB-CZ3 4.13Å; F526-W581 VanDerWaalsContact C-CE3 3.46Å; F526-W581 WeakPolarHBondContact O-CA 3.39Å; K527-W581 HydrophobicContact CB-CD2 3.77Å; K527-W581 HydrophobicContact CB-CE3 3.67Å; K527-W581 HydrophobicContact CB-CG 4.33Å; K527-W581 HydrophobicContact CB-CH2 4.39Å; K527-W581 HydrophobicContact CB-CZ2 4.48Å; K527-W581 HydrophobicContact CB-CZ3 3.99Å; K527-W581 HydrophobicContact CD-CD2 4.16Å; K527-W581 HydrophobicContact CD-CG 4.22Å; W581-C645 HydrophobicContact CH2-CB 3.52Å; W581-C645 HydrophobicContact CZ2-CB 4.15Å; W581-C645 HydrophobicContact CZ3-CB 4.12Å; W581-A647 HydrophobicContact CH2-CB 3.49Å; W581-A647 VanDerWaalsContact CH2-CB 3.49Å; W581-A647 HydrophobicContact CZ2-CB 4.32Å; W581-A647 HydrophobicContact CZ3-CB 3.63Å; W581-C673 HydrophobicContact CH2-CB 4.07Å; W581-C673 HydrophobicContact CZ2-CB 3.55Å; W581-C673 WeakPolarHBondContact CZ2-SG 3.29Å
582	H	94.9	Very high	90.7	Very high	14 Å²	14	50.7 Å²	50.7	7%	0.065	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	140.3	173.6	-65.3	-71.2	0	0	0	110.9	Q525 F526 L576 D578 D599	Q525-H582 VanDerWaalsContact CA-O 3.25Å; Q525-H582 WeakPolarHBondContact CA-O 3.37Å; F526-H582 HydrophobicContact CD1-CB 4.15Å; F526-H582 HydrophobicContact CE1-CB 3.65Å; F526-H582 HydrophobicContact CZ-CB 3.94Å; F526-H582 PolarHBondContact N-O 3.09Å; F526-H582 PolarHBondContact O-N 3.32Å; L576-H582 PolarHBondContact O-CD2 2.87Å; L576-H582 PolarHBondContact O-NE2 3.12Å; D578-H582 IonicContact OD1-CE1 2.72Å; D578-H582 IonicContact OD1-NE2 2.65Å; D578-H582 PolarHBondContact OD1-NE2 2.74Å; D578-H582 VanDerWaalsContact OD1-NE2 3.17Å; D578-H582 IonicContact OD2-CE1 2.73Å; D578-H582 IonicContact OD2-NE2 2.73Å; H582-D599 WeakPolarHBondContact CA-OD1 3.46Å; H582-D599 IonicContact CE1-OD2 2.73Å; H582-D599 IonicContact CG-OD2 2.7Å; H582-D599 IonicContact ND1-OD1 3.01Å; H582-D599 IonicContact ND1-OD2 3.2Å; H582-D599 PolarHBondContact ND1-OD2 3.3Å
583	N	94.2	Very high	90.7	Very high	34 Å²	34	51 Å²	51	18%	0.182	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	131.4	176.4	-53.3	-71.2	0	0	0	109.8	Q343 F523 Q525 V598 D599	Q343-N583 PolarHBondContact OE1-OD1 2.85Å; F523-N583 HydrophobicContact CE2-CB 4.26Å; Q525-N583 WeakPolarHBondContact CG-OD1 3.42Å; Q525-N583 PolarHBondContact NE2-OD1 3.09Å; N583-V598 WeakPolarHBondContact O-CA 3.3Å; N583-D599 PolarHBondContact N-OD1 2.83Å; N583-D599 PolarHBondContact ND2-OD1 3.15Å; N583-D599 PolarHBondContact O-N 3.5Å
584	V	96.3	Very high	91	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120	175.2	-178.1	0	0	0	0	109.4	F523 F524 F526 I555 I586 L596 K597	F523-V584 WeakPolarHBondContact CA-O 3.42Å; F523-V584 WeakPolarHBondContact CD2-O 3.29Å; F524-V584 HydrophobicContact CD1-CB 4.32Å; F524-V584 HydrophobicContact CD2-CB 4.3Å; F524-V584 HydrophobicContact CE1-CB 3.9Å; F524-V584 HydrophobicContact CE1-CG1 3.72Å; F524-V584 HydrophobicContact CE2-CB 3.86Å; F524-V584 HydrophobicContact CE2-CG1 4.35Å; F524-V584 HydrophobicContact CE2-CG2 3.89Å; F524-V584 HydrophobicContact CZ-CB 3.65Å; F524-V584 HydrophobicContact CZ-CG1 3.63Å; F524-V584 HydrophobicContact CZ-CG2 3.97Å; F524-V584 PolarHBondContact N-O 2.85Å; F524-V584 PolarHBondContact O-N 2.83Å; F526-V584 HydrophobicContact CD1-CG2 3.7Å; F526-V584 HydrophobicContact CE1-CG2 3.52Å; I555-V584 HydrophobicContact CD1-CG2 4.39Å; I555-V584 HydrophobicContact CG1-CG2 4.14Å; I555-V584 HydrophobicContact CG2-CG1 4.4Å; V584-I586 HydrophobicContact CG1-CD1 4.38Å; V584-I586 HydrophobicContact CG1-CG1 4.15Å; V584-L596 HydrophobicContact CG1-CD1 3.87Å; V584-K597 WeakPolarHBondContact CA-O 3.43Å
585	V	94.3	Very high	91	Very high	14 Å²	14	36.7 Å²	36.7	9%	0.085	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.3	170.2	-164.9	0	0	0	0	108.6	L522 F523 T587 L596 K597	L522-V585 CarbonylContact O-C 3.6Å; L522-V585 WeakPolarHBondContact O-CA 3.23Å; F523-V585 HydrophobicContact CD2-CG2 3.89Å; V585-T587 HydrophobicContact CG1-CG2 3.98Å; V585-L596 CarbonylContact O-C 3.47Å; V585-L596 WeakPolarHBondContact O-CA 3.5Å; V585-K597 HydrophobicContact CB-CB 4.05Å; V585-K597 HydrophobicContact CG2-CB 4.33Å; V585-K597 HydrophobicContact CG2-CD 4.37Å; V585-K597 PolarHBondContact N-O 2.88Å; V585-K597 PolarHBondContact O-N 3.42Å
586	I	95.3	Very high	91.2	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.8	172.1	-58.4	169.3	0	0	0	107.9	M520 L522 V548 Y557 V584 S595 L596	M520-I586 HydrophobicContact CE-CG2 3.65Å; L522-I586 HydrophobicContact CB-CB 4.27Å; L522-I586 PolarHBondContact N-O 2.84Å; L522-I586 PolarHBondContact O-N 2.85Å; V548-I586 HydrophobicContact CB-CD1 4.46Å; V548-I586 HydrophobicContact CG1-CD1 4.1Å; V548-I586 HydrophobicContact CG2-CD1 3.45Å; V548-I586 VanDerWaalsContact CG2-CD1 3.45Å; Y557-I586 HydrophobicContact CD1-CG2 3.59Å; Y557-I586 HydrophobicContact CD2-CD1 4.29Å; Y557-I586 HydrophobicContact CD2-CG2 4.23Å; Y557-I586 HydrophobicContact CE1-CG2 3.46Å; Y557-I586 VanDerWaalsContact CE1-CG2 3.46Å; Y557-I586 HydrophobicContact CE2-CG2 4.14Å; Y557-I586 HydrophobicContact CG-CD1 4.14Å; Y557-I586 HydrophobicContact CG-CG2 3.99Å; V584-I586 HydrophobicContact CG1-CD1 4.38Å; V584-I586 HydrophobicContact CG1-CG1 4.15Å; I586-S595 CarbonylContact C-O 3.46Å; I586-S595 WeakPolarHBondContact CA-O 3.45Å; I586-L596 HydrophobicContact CD1-CD1 4.45Å; I586-L596 HydrophobicContact CG1-CD1 3.79Å
587	T	92.9	Very high	91.2	Very high	29 Å²	29	36.1 Å²	36.1	18%	0.178	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	151.4	175.8	65.8	0	0	0	0	112.1	M520 H521 V585 H594 S595	M520-T587 CarbonylContact O-C 3.55Å; M520-T587 VanDerWaalsContact O-CA 3.22Å; M520-T587 WeakPolarHBondContact O-CA 3.24Å; H521-T587 WeakPolarHBondContact ND1-CG2 3.18Å; V585-T587 HydrophobicContact CG1-CG2 3.98Å; T587-H594 CarbonylContact O-C 3.51Å; T587-H594 VanDerWaalsContact O-CA 3.27Å; T587-H594 WeakPolarHBondContact O-CA 3.45Å; T587-S595 PolarHBondContact N-O 2.81Å; T587-S595 PolarHBondContact O-N 2.88Å
588	R	91.3	Very high	91.4	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	117.1	167.5	-177.6	-177.2	71.9	94.2	-8.5	108	A516 Y517 T518 S519 M520 N592 T593 H594 K611	A516-R588 PolarHBondContact O-NH2 3.09Å; Y517-R588 VanDerWaalsContact C-NH2 3.33Å; Y517-R588 PolarHBondContact O-NH2 3.44Å; T518-R588 PolarHBondContact O-NH1 2.91Å; S519-R588 CarbonylContact C-O 3.56Å; S519-R588 VanDerWaalsContact CA-O 3.25Å; S519-R588 WeakPolarHBondContact CA-O 3.22Å; S519-R588 WeakPolarHBondContact CB-O 3.31Å; M520-R588 HydrophobicContact CB-CB 4.14Å; M520-R588 PolarHBondContact N-O 2.98Å; M520-R588 PolarHBondContact O-N 3.13Å; R588-N592 PolarHBondContact NH1-OD1 3.06Å; R588-T593 WeakPolarHBondContact CA-O 3.31Å; R588-H594 WeakPolarHBondContact CD-CE1 3.41Å; R588-H594 WeakPolarHBondContact CD-NE2 3.49Å; R588-K611 PolarHBondContact NH1-O 3.02Å
589	D	86.4	Confident	91.6	Very high	61 Å²	61	32.9 Å²	32.9	33%	0.326	18%	0.181	S	C	.	.			trans	-87.4	174.9	175.1	69.3	25.4	0	0	0	112.5	S591 N592 T593	D589-S591 VanDerWaalsContact CG-OG 3.29Å; D589-S591 PolarHBondContact O-N 3.26Å; D589-S591 VanDerWaalsContact O-N 3.13Å; D589-S591 WeakPolarHBondContact OD1-CA 3.08Å; D589-S591 VanDerWaalsContact OD1-CB 3.31Å; D589-S591 WeakPolarHBondContact OD1-CB 3.08Å; D589-S591 PolarHBondContact OD1-N 2.68Å; D589-S591 PolarHBondContact OD1-OG 2.71Å; D589-S591 PolarHBondContact OD2-OG 3.22Å; D589-N592 PolarHBondContact O-N 2.9Å; D589-N592 PolarHBondContact OD1-N 3.23Å; D589-T593 PolarHBondContact N-O 2.9Å; D589-T593 WeakPolarHBondContact OD1-CB 3.27Å; D589-T593 PolarHBondContact OD1-N 3.18Å; D589-T593 WeakPolarHBondContact OD2-CB 3.38Å
590	S	83.2	Confident	91.8	Very high	94 Å²	94	36.9 Å²	36.9	66%	0.657	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-3.7	179.4	57.2	0	0	0	0	114.6
591	S	84.5	Confident	91.9	Very high	69 Å²	69	34.3 Å²	34.3	48%	0.483	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	3	171.4	79.3	0	0	0	0	113.2	D589 T593	D589-S591 VanDerWaalsContact CG-OG 3.29Å; D589-S591 PolarHBondContact O-N 3.26Å; D589-S591 VanDerWaalsContact O-N 3.13Å; D589-S591 WeakPolarHBondContact OD1-CA 3.08Å; D589-S591 VanDerWaalsContact OD1-CB 3.31Å; D589-S591 WeakPolarHBondContact OD1-CB 3.08Å; D589-S591 PolarHBondContact OD1-N 2.68Å; D589-S591 PolarHBondContact OD1-OG 2.71Å; D589-S591 PolarHBondContact OD2-OG 3.22Å; S591-T593 PolarHBondContact O-N 2.86Å; S591-T593 PolarHBondContact OG-OG1 2.99Å
592	N	86.9	Confident	91.9	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.032	21%	0.205	C	C	.	.			trans	57.6	33.3	-168.1	-71.8	-10.4	0	0	0	113.1	R588 D589 H594 I607 A610	R588-N592 PolarHBondContact NH1-OD1 3.06Å; D589-N592 PolarHBondContact O-N 2.9Å; D589-N592 PolarHBondContact OD1-N 3.23Å; N592-H594 PolarHBondContact O-CD2 2.74Å; N592-I607 VanDerWaalsContact CB-O 3.29Å; N592-I607 WeakPolarHBondContact CB-O 3.38Å; N592-I607 PolarHBondContact O-N 2.79Å; N592-I607 VanDerWaalsContact O-N 3.07Å; N592-A610 PolarHBondContact ND2-O 2.99Å
593	T	90.9	Very high	91.9	Very high	29 Å²	29	36.1 Å²	36.1	18%	0.178	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	110.2	165.2	-59.2	0	0	0	0	108.3	R588 D589 S591 T604 V606	R588-T593 WeakPolarHBondContact CA-O 3.31Å; D589-T593 PolarHBondContact N-O 2.9Å; D589-T593 WeakPolarHBondContact OD1-CB 3.27Å; D589-T593 PolarHBondContact OD1-N 3.18Å; D589-T593 WeakPolarHBondContact OD2-CB 3.38Å; S591-T593 PolarHBondContact O-N 2.86Å; S591-T593 PolarHBondContact OG-OG1 2.99Å; T593-T604 HydrophobicContact CG2-CG2 3.35Å; T593-V606 HydrophobicContact CG2-CG2 4.31Å
594	H	92.9	Very high	91.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	138.8	175.7	-66.3	-115.9	0	0	0	109.7	Y557 F559 I568 T587 R588 N592 T604 Q605	Y557-H594 HydrophobicContact CE1-CB 4.26Å; Y557-H594 AromaticContact CE1-ND1 3.56Å; Y557-H594 AromaticContact CZ-ND1 3.66Å; Y557-H594 PolarHBondContact OH-CE1 2.91Å; Y557-H594 PolarHBondContact OH-ND1 2.95Å; F559-H594 AromaticContact CD2-CE1 3.73Å; F559-H594 AromaticContact CE1-CE1 3.99Å; F559-H594 AromaticContact CE1-ND1 3.71Å; F559-H594 AromaticContact CE2-CE1 3.15Å; F559-H594 WeakPolarHBondContact CE2-CE1 3.35Å; F559-H594 AromaticContact CE2-ND1 3.74Å; F559-H594 AromaticContact CE2-NE2 3.56Å; F559-H594 AromaticContact CZ-CD2 4Å; F559-H594 AromaticContact CZ-CE1 3.3Å; F559-H594 WeakPolarHBondContact CZ-CE1 3.37Å; F559-H594 AromaticContact CZ-CG 3.8Å; F559-H594 AromaticContact CZ-ND1 3.37Å; F559-H594 WeakPolarHBondContact CZ-ND1 3.27Å; F559-H594 AromaticContact CZ-NE2 3.74Å; I568-H594 HydrophobicContact CD1-CB 3.51Å; T587-H594 CarbonylContact O-C 3.51Å; T587-H594 VanDerWaalsContact O-CA 3.27Å; T587-H594 WeakPolarHBondContact O-CA 3.45Å; R588-H594 WeakPolarHBondContact CD-CE1 3.41Å; R588-H594 WeakPolarHBondContact CD-NE2 3.49Å; N592-H594 PolarHBondContact O-CD2 2.74Å; H594-T604 CarbonylContact O-C 3.56Å; H594-T604 VanDerWaalsContact O-CA 3.31Å; H594-T604 WeakPolarHBondContact O-CA 3.39Å; H594-Q605 PolarHBondContact N-O 2.95Å; H594-Q605 PolarHBondContact O-N 2.8Å
595	S	93.3	Very high	91.7	Very high	20 Å²	20	42 Å²	42	14%	0.14	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.9	171.1	-57.3	0	0	0	0	111.8	I586 T587 V603 T604	I586-S595 CarbonylContact C-O 3.46Å; I586-S595 WeakPolarHBondContact CA-O 3.45Å; T587-S595 PolarHBondContact N-O 2.81Å; T587-S595 PolarHBondContact O-N 2.88Å; S595-V603 CarbonylContact C-O 3.56Å; S595-V603 VanDerWaalsContact CA-O 3.24Å; S595-V603 WeakPolarHBondContact CA-O 3.32Å; S595-T604 PolarHBondContact OG-OG1 2.76Å
596	L	95.9	Very high	91.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	110	171.7	169	58.9	0	0	0	107.9	I555 I568 G570 V584 V585 I586 V598 V603	I555-L596 HydrophobicContact CG2-CD1 4.05Å; I555-L596 HydrophobicContact CG2-CD2 4.19Å; I568-L596 HydrophobicContact CG2-CB 3.96Å; I568-L596 HydrophobicContact CG2-CD2 4.19Å; G570-L596 VanDerWaalsContact N-CD2 3.34Å; V584-L596 HydrophobicContact CG1-CD1 3.87Å; V585-L596 CarbonylContact O-C 3.47Å; V585-L596 WeakPolarHBondContact O-CA 3.5Å; I586-L596 HydrophobicContact CD1-CD1 4.45Å; I586-L596 HydrophobicContact CG1-CD1 3.79Å; L596-V598 HydrophobicContact CD1-CG2 4.05Å; L596-V598 HydrophobicContact CG-CG2 4.25Å; L596-V603 PolarHBondContact N-O 3.38Å; L596-V603 PolarHBondContact O-N 3.11Å
597	K	94.2	Very high	91	Very high	49 Å²	49	46.2 Å²	46.2	21%	0.213	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.7	170.4	-175.1	176.6	175.9	-177.8	0	108.3	D400 V584 V585 D599 K601 V602	D400-K597 PolarHBondContact O-NZ 3.35Å; V584-K597 WeakPolarHBondContact CA-O 3.43Å; V585-K597 HydrophobicContact CB-CB 4.05Å; V585-K597 HydrophobicContact CG2-CB 4.33Å; V585-K597 HydrophobicContact CG2-CD 4.37Å; V585-K597 PolarHBondContact N-O 2.88Å; V585-K597 PolarHBondContact O-N 3.42Å; K597-D599 WeakPolarHBondContact CE-O 3.34Å; K597-K601 CarbonylContact C-O 3.5Å; K597-K601 VanDerWaalsContact CA-O 3.28Å; K597-K601 WeakPolarHBondContact CA-O 3.46Å; K597-V602 HydrophobicContact CB-CG2 4.03Å; K597-V602 HydrophobicContact CD-CG2 4.08Å; K597-V602 HydrophobicContact CG-CG2 3.84Å
598	V	95.3	Very high	90.3	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.3	167.9	-178.6	0	0	0	0	107.1	I555 L576 N583 L596 T600 K601	I555-V598 HydrophobicContact CB-CG2 4.33Å; L576-V598 HydrophobicContact CD1-CG1 3.78Å; L576-V598 HydrophobicContact CD2-CG1 3.94Å; N583-V598 WeakPolarHBondContact O-CA 3.3Å; L596-V598 HydrophobicContact CD1-CG2 4.05Å; L596-V598 HydrophobicContact CG-CG2 4.25Å; V598-T600 PolarHBondContact O-N 2.97Å; V598-K601 PolarHBondContact N-O 2.91Å; V598-K601 PolarHBondContact O-N 2.64Å
599	D	91.9	Very high	89.3	Confident	49 Å²	49	53.9 Å²	53.9	26%	0.262	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	-103.2	-169.9	-60.9	-42.3	0	0	0	112.4	H582 N583 K597	H582-D599 WeakPolarHBondContact CA-OD1 3.46Å; H582-D599 IonicContact CE1-OD2 2.73Å; H582-D599 IonicContact CG-OD2 2.7Å; H582-D599 IonicContact ND1-OD1 3.01Å; H582-D599 IonicContact ND1-OD2 3.2Å; H582-D599 PolarHBondContact ND1-OD2 3.3Å; N583-D599 PolarHBondContact N-OD1 2.83Å; N583-D599 PolarHBondContact ND2-OD1 3.15Å; N583-D599 PolarHBondContact O-N 3.5Å; K597-D599 WeakPolarHBondContact CE-O 3.34Å
600	T	89.5	Confident	88.4	Confident	125 Å²	125	53.1 Å²	53.1	77%	0.767	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-12.2	179.2	56.7	0	0	0	0	113.7	V598	V598-T600 PolarHBondContact O-N 2.97Å
601	K	92.9	Very high	87.7	Confident	59 Å²	59	55.1 Å²	55.1	26%	0.257	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.7	-169.8	-68.5	-171.3	175	-156.8	0	111.8	N571 D573 K597 V598	N571-K601 HydrophobicContact CB-CB 4.41Å; N571-K601 WeakPolarHBondContact O-CB 3.43Å; N571-K601 WeakPolarHBondContact O-CD 3.48Å; D573-K601 IonicContact OD1-NZ 3.97Å; D573-K601 PolarHBondContact OD1-NZ 3.19Å; D573-K601 VanDerWaalsContact OD2-CE 3.31Å; D573-K601 WeakPolarHBondContact OD2-CE 3.04Å; D573-K601 IonicContact OD2-NZ 2.82Å; D573-K601 PolarHBondContact OD2-NZ 2.84Å; K597-K601 CarbonylContact C-O 3.5Å; K597-K601 VanDerWaalsContact CA-O 3.28Å; K597-K601 WeakPolarHBondContact CA-O 3.46Å; V598-K601 PolarHBondContact N-O 2.91Å; V598-K601 PolarHBondContact O-N 2.64Å
602	V	92.5	Very high	87.6	Confident	77 Å²	77	54.1 Å²	54.1	47%	0.467	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	138	-179.7	-172.4	0	0	0	0	110.7	K597	K597-V602 HydrophobicContact CB-CG2 4.03Å; K597-V602 HydrophobicContact CD-CG2 4.08Å; K597-V602 HydrophobicContact CG-CG2 3.84Å
603	V	95	Very high	87.3	Confident	39 Å²	39	54 Å²	54	24%	0.236	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130	164.1	-177.6	0	0	0	0	107.8	I568 N571 S595 L596	I568-V603 HydrophobicContact CG2-CB 4.24Å; I568-V603 HydrophobicContact CG2-CG1 3.86Å; N571-V603 HydrophobicContact CB-CG2 3.37Å; S595-V603 CarbonylContact C-O 3.56Å; S595-V603 VanDerWaalsContact CA-O 3.24Å; S595-V603 WeakPolarHBondContact CA-O 3.32Å; L596-V603 PolarHBondContact N-O 3.38Å; L596-V603 PolarHBondContact O-N 3.11Å
604	T	93.4	Very high	87.1	Confident	82 Å²	82	55.4 Å²	55.4	50%	0.503	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.2	179.8	-61.7	0	0	0	0	110	T593 H594 S595	T593-T604 HydrophobicContact CG2-CG2 3.35Å; H594-T604 CarbonylContact O-C 3.56Å; H594-T604 VanDerWaalsContact O-CA 3.31Å; H594-T604 WeakPolarHBondContact O-CA 3.39Å; S595-T604 PolarHBondContact OG-OG1 2.76Å
605	Q	92.8	Very high	87	Confident	76 Å²	76	56.2 Å²	56.2	36%	0.355	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	132.3	177.9	-172.8	173.6	-10.4	0	0	110.3	I568 H594 I607	I568-Q605 HydrophobicContact CD1-CB 4Å; I568-Q605 HydrophobicContact CG1-CB 4.37Å; H594-Q605 PolarHBondContact N-O 2.95Å; H594-Q605 PolarHBondContact O-N 2.8Å; Q605-I607 HydrophobicContact CG-CD1 3.88Å
606	V	90.3	Very high	86.9	Confident	87 Å²	87	60 Å²	60	53%	0.527	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.7	173.8	-176.1	0	0	0	0	108.7	T593	T593-V606 HydrophobicContact CG2-CG2 4.31Å
607	I	85.4	Confident	86.8	Confident	15 Å²	15	61.9 Å²	61.9	8%	0.077	35%	0.352	C	S	.	.			trans	-112.1	116.3	178.6	-57.1	-60.7	0	0	0	110.2	F559 N592 Q605	F559-I607 HydrophobicContact CE2-CG1 4.15Å; F559-I607 HydrophobicContact CZ-CD1 4.49Å; F559-I607 HydrophobicContact CZ-CG1 3.88Å; N592-I607 VanDerWaalsContact CB-O 3.29Å; N592-I607 WeakPolarHBondContact CB-O 3.38Å; N592-I607 PolarHBondContact O-N 2.79Å; N592-I607 VanDerWaalsContact O-N 3.07Å; Q605-I607 HydrophobicContact CG-CD1 3.88Å
608	N	77.6	Confident	86.8	Confident	153 Å²	153	62.3 Å²	62.3	82%	0.818	36%	0.356	S	S	*	.			trans	-80.4	120.3	173.1	-64.9	-31.9	0	0	0	109.4
609	G	69.6	Low	86.9	Confident	38 Å²	38	62.2 Å²	62.2	39%	0.392	36%	0.355	S	S	.	.	S	Bend	trans	166.1	-157.1	-177.3	0	0	0	0	0	112.7
610	A	67.5	Low	87.2	Confident	45 Å²	45	62 Å²	62	37%	0.372	35%	0.352	S	S	.	.			trans	-61.7	151.3	173.3	0	0	0	0	0	111.3	L561 N563 N592	L561-A610 VanDerWaalsContact O-CB 3.26Å; L561-A610 WeakPolarHBondContact O-CB 3.34Å; N563-A610 WeakPolarHBondContact ND2-CB 3.12Å; N563-A610 PolarHBondContact ND2-N 3.06Å; N592-A610 PolarHBondContact ND2-O 2.99Å
611	K	69.8	Low	87.6	Confident	136 Å²	136	56.2 Å²	56.2	59%	0.591	32%	0.316	S	S	*	.	S	Bend	trans	-95.6	-9.7	-173.4	-65.2	-170.2	173.8	-166.5	0	114.5	R588	R588-K611 PolarHBondContact NH1-O 3.02Å
612	N	81	Confident	87.7	Confident	49 Å²	49	53.4 Å²	53.4	26%	0.262	30%	0.304	S	S	.	.			trans	-113.5	149.5	-170.6	-57.9	-22.9	0	0	0	109.8	Y517	Y517-N612 HydrophobicContact CD2-CB 3.93Å; Y517-N612 HydrophobicContact CE2-CB 3.56Å; Y517-N612 VanDerWaalsContact CZ-CG 3.46Å; Y517-N612 VanDerWaalsContact CZ-ND2 3.31Å; Y517-N612 WeakPolarHBondContact O-CA 3.49Å; Y517-N612 PolarHBondContact OH-ND2 2.82Å
613	L	82.1	Confident	87.8	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	28%	0.282	C	S	.	.			trans	-119	100.3	170.7	178.3	66.8	0	0	0	106.8	A516 Y517 D544 I546 D560 L561 L615	A516-L613 HydrophobicContact CB-CD2 4.28Å; Y517-L613 PolarHBondContact O-N 2.95Å; D544-L613 HydrophobicContact CB-CD1 4.46Å; I546-L613 HydrophobicContact CB-CD2 4.33Å; D560-L613 WeakPolarHBondContact O-CD1 3.29Å; L561-L613 HydrophobicContact CD2-CB 3.67Å; L561-L613 HydrophobicContact CD2-CD1 3.64Å; L561-L613 HydrophobicContact CD2-CG 4.14Å; L613-L615 HydrophobicContact CD1-CD2 3.84Å; L613-L615 HydrophobicContact CD1-CG 4.47Å; L613-L615 HydrophobicContact CD2-CD1 3.98Å; L613-L615 HydrophobicContact CD2-CD2 4.12Å; L613-L615 HydrophobicContact CD2-CG 4.11Å; L613-L615 HydrophobicContact CG-CD1 4.26Å; L613-L615 HydrophobicContact CG-CD2 3.74Å; L613-L615 HydrophobicContact CG-CG 3.83Å; L613-L615 PolarHBondContact O-N 2.9Å
614	D	85.2	Confident	87.8	Confident	58 Å²	58	48.2 Å²	48.2	31%	0.31	27%	0.272	S	S	.	.			trans	-92.2	72.3	-168.5	-86.1	-61.1	0	0	0	111.6	Y517 G540 D541 D544	Y517-D614 WeakPolarHBondContact CD2-OD1 3.48Å; Y517-D614 WeakPolarHBondContact CE2-OD1 3.38Å; G540-D614 CarbonylContact C-O 3.42Å; G540-D614 WeakPolarHBondContact CA-O 3.4Å; D541-D614 HydrophobicContact CB-CB 4.49Å; D541-D614 PolarHBondContact N-O 2.86Å; D544-D614 PolarHBondContact OD2-N 2.93Å
615	L	91.9	Very high	87.8	Confident	17 Å²	17	45.6 Å²	45.6	9%	0.089	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-71.4	147.1	-175.7	-58.7	179.7	0	0	0	114	T513 L514 A516 N538 S539 I546 L613	T513-L615 HydrophobicContact CG2-CB 3.82Å; L514-L615 HydrophobicContact CB-CD1 3.78Å; L514-L615 HydrophobicContact CD2-CD1 3.97Å; L514-L615 HydrophobicContact CG-CD1 4.11Å; A516-L615 HydrophobicContact CB-CD1 4.49Å; N538-L615 HydrophobicContact CB-CD1 4Å; N538-L615 HydrophobicContact CB-CD2 4.18Å; N538-L615 HydrophobicContact CB-CG 4.5Å; S539-L615 WeakPolarHBondContact O-CA 3.44Å; I546-L615 HydrophobicContact CG2-CD1 3.87Å; I546-L615 HydrophobicContact CG2-CD2 4.09Å; L613-L615 HydrophobicContact CD1-CD2 3.84Å; L613-L615 HydrophobicContact CD1-CG 4.47Å; L613-L615 HydrophobicContact CD2-CD1 3.98Å; L613-L615 HydrophobicContact CD2-CD2 4.12Å; L613-L615 HydrophobicContact CD2-CG 4.11Å; L613-L615 HydrophobicContact CG-CD1 4.26Å; L613-L615 HydrophobicContact CG-CD2 3.74Å; L613-L615 HydrophobicContact CG-CG 3.83Å; L613-L615 PolarHBondContact O-N 2.9Å
616	K	91.4	Very high	87.4	Confident	98 Å²	98	49.5 Å²	49.5	43%	0.426	28%	0.277	S	S	.	.			trans	-143.5	148.4	-178.9	-62.5	-61.3	-178.5	-156.9	0	112	N538 S539 D541	N538-K616 PolarHBondContact ND2-O 2.91Å; N538-K616 VanDerWaalsContact ND2-O 3.14Å; S539-K616 PolarHBondContact O-N 2.67Å; S539-K616 PolarHBondContact OG-O 3.36Å; D541-K616 WeakPolarHBondContact OD1-CE 3.1Å; D541-K616 WeakPolarHBondContact OD1-CG 3.4Å; D541-K616 WeakPolarHBondContact OD2-CE 3.46Å; D541-K616 IonicContact OD2-NZ 3.2Å; D541-K616 PolarHBondContact OD2-NZ 2.77Å
617	G	92.6	Very high	87.2	Confident	41 Å²	41	48.1 Å²	48.1	42%	0.423	28%	0.281	S	S	.	.	S	Bend	trans	67.1	-177	179.7	0	0	0	0	0	112.9	T513 N538	T513-G617 WeakPolarHBondContact CB-O 3.37Å; T513-G617 WeakPolarHBondContact CG2-O 3.46Å; T513-G617 PolarHBondContact OG1-O 3.1Å; N538-G617 PolarHBondContact ND2-O 3.17Å; N538-G617 VanDerWaalsContact ND2-O 3.17Å
618	D	95.3	Very high	87.5	Confident	58 Å²	58	50 Å²	50	31%	0.31	29%	0.289	S	S	.	.			trans	-53.5	137.6	-175.3	-78	36.1	0	0	0	114	T510 Y620	T510-D618 WeakPolarHBondContact CB-OD2 3.35Å; T510-D618 HydrophobicContact CG2-CB 3.93Å; T510-D618 PolarHBondContact OG1-OD2 2.64Å; D618-Y620 HydrophobicContact CB-CD2 4.4Å; D618-Y620 HydrophobicContact CB-CE2 3.96Å; D618-Y620 WeakPolarHBondContact O-CD2 3.27Å
619	L	97	Very high	88.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	113.6	166	176.3	68.6	0	0	0	108.6	T510 L511 L514 L536 N538 M621 L651	T510-L619 CarbonylContact C-O 3.57Å; T510-L619 VanDerWaalsContact CA-O 3.27Å; T510-L619 WeakPolarHBondContact CA-O 3.44Å; L511-L619 HydrophobicContact CB-CB 4.26Å; L511-L619 HydrophobicContact CB-CD2 4.36Å; L511-L619 HydrophobicContact CD1-CD2 4.37Å; L511-L619 PolarHBondContact N-O 3.49Å; L511-L619 PolarHBondContact O-N 2.63Å; L514-L619 HydrophobicContact CB-CD1 4.21Å; L514-L619 HydrophobicContact CB-CD2 4.33Å; L536-L619 HydrophobicContact CD1-CD1 4.2Å; L536-L619 HydrophobicContact CD2-CD1 3.87Å; L536-L619 HydrophobicContact CG-CD1 3.81Å; N538-L619 HydrophobicContact CB-CD1 3.84Å; N538-L619 WeakPolarHBondContact OD1-CB 3.35Å; L619-M621 HydrophobicContact CD2-SD 4.14Å; L619-M621 HydrophobicContact CG-SD 4.19Å; L619-L651 HydrophobicContact CD2-CD1 3.41Å; L619-L651 VanDerWaalsContact CD2-CD1 3.41Å; L619-L651 HydrophobicContact CD2-CD2 4.12Å; L619-L651 HydrophobicContact CD2-CG 4.37Å
620	Y	97.5	Very high	89	Confident	46 Å²	46	46.2 Å²	46.2	18%	0.18	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	134.2	177.5	-72.4	-102.3	0	0	0	111.1	Y508 T510 L536 F537 D618 G623 L624 M628	Y508-Y620 AromaticContact CD2-CD1 3.89Å; Y508-Y620 HydrophobicContact CD2-CD1 3.89Å; Y508-Y620 HydrophobicContact CD2-CE1 4.22Å; Y508-Y620 HydrophobicContact CE2-CD1 4.03Å; Y508-Y620 AromaticContact CE2-CE1 3.87Å; Y508-Y620 HydrophobicContact CE2-CE1 3.87Å; T510-Y620 HydrophobicContact CG2-CD1 3.58Å; T510-Y620 HydrophobicContact CG2-CD2 4.23Å; T510-Y620 HydrophobicContact CG2-CE1 3.53Å; T510-Y620 HydrophobicContact CG2-CE2 4.18Å; T510-Y620 HydrophobicContact CG2-CG 3.93Å; L536-Y620 CarbonylContact C-O 3.53Å; L536-Y620 WeakPolarHBondContact CA-O 3.31Å; F537-Y620 HydrophobicContact CD1-CD2 4.44Å; F537-Y620 PolarHBondContact N-O 2.9Å; F537-Y620 PolarHBondContact O-N 2.63Å; D618-Y620 HydrophobicContact CB-CD2 4.4Å; D618-Y620 HydrophobicContact CB-CE2 3.96Å; D618-Y620 WeakPolarHBondContact O-CD2 3.27Å; Y620-G623 WeakPolarHBondContact CB-O 3.44Å; Y620-L624 HydrophobicContact CD1-CD2 3.89Å; Y620-L624 HydrophobicContact CD2-CD2 4.29Å; Y620-L624 HydrophobicContact CG-CD2 3.7Å; Y620-M628 HydrophobicContact CD2-CE 4.42Å; Y620-M628 HydrophobicContact CE1-CE 4.4Å; Y620-M628 HydrophobicContact CE1-SD 3.86Å; Y620-M628 HydrophobicContact CE2-CE 3.87Å; Y620-M628 HydrophobicContact CE2-SD 4.31Å
621	M	97.9	Very high	89.9	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.015	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	136.5	178.2	-60.3	-63.6	-65.1	0	0	110.4	Y508 L509 L511 L536 L619 G623 L646 V649 L658	Y508-M621 WeakPolarHBondContact CA-O 3.37Å; Y508-M621 WeakPolarHBondContact CB-O 3.38Å; L509-M621 HydrophobicContact CD1-CB 3.78Å; L509-M621 HydrophobicContact CD1-CG 3.93Å; L509-M621 HydrophobicContact CG-CB 4.02Å; L509-M621 PolarHBondContact N-O 3.41Å; L509-M621 PolarHBondContact O-N 2.9Å; L511-M621 HydrophobicContact CD1-CG 3.83Å; L511-M621 HydrophobicContact CD1-SD 4.49Å; L511-M621 HydrophobicContact CG-CG 4.33Å; L536-M621 HydrophobicContact CB-SD 4.34Å; L536-M621 HydrophobicContact CD1-CE 4.42Å; L536-M621 HydrophobicContact CD1-SD 3.89Å; L536-M621 HydrophobicContact CG-SD 4.04Å; L619-M621 HydrophobicContact CD2-SD 4.14Å; L619-M621 HydrophobicContact CG-SD 4.19Å; M621-G623 PolarHBondContact O-N 3.37Å; M621-L646 HydrophobicContact CE-CD1 4.16Å; M621-V649 HydrophobicContact CE-CG1 4.09Å; M621-L658 HydrophobicContact CE-CD2 4.39Å
622	A	96.6	Very high	90.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	58.5	1.3	-178.5	0	0	0	0	0	117.4	F502 F534 I535 G641 F642 L646	F502-A622 HydrophobicContact CB-CB 4.19Å; F502-A622 HydrophobicContact CD1-CB 3.29Å; F502-A622 HydrophobicContact CD2-CB 3.73Å; F502-A622 HydrophobicContact CE1-CB 3.41Å; F502-A622 VanDerWaalsContact CE1-CB 3.41Å; F502-A622 HydrophobicContact CE2-CB 3.85Å; F502-A622 HydrophobicContact CG-CB 3.45Å; F502-A622 VanDerWaalsContact CG-CB 3.45Å; F502-A622 HydrophobicContact CZ-CB 3.69Å; F534-A622 CarbonylContact O-C 3.6Å; F534-A622 VanDerWaalsContact O-CA 3.27Å; F534-A622 WeakPolarHBondContact O-CA 3.42Å; F534-A622 VanDerWaalsContact O-O 3.07Å; I535-A622 PolarHBondContact O-N 3.13Å; A622-G641 CarbonylContact O-C 3.56Å; A622-G641 VanDerWaalsContact O-CA 3.29Å; A622-G641 WeakPolarHBondContact O-CA 2.98Å; A622-F642 HydrophobicContact CB-CB 4.22Å; A622-F642 HydrophobicContact CB-CD1 4.22Å; A622-F642 PolarHBondContact O-N 2.68Å; A622-L646 HydrophobicContact CB-CD1 4.42Å
623	G	95	Very high	91.4	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.021	26%	0.26	C	S	.	.			trans	168.2	-177.7	175.3	0	0	0	0	0	112.9	Y508 Y620 M621	Y508-G623 VanDerWaalsContact CB-C 3.44Å; Y508-G623 WeakPolarHBondContact CB-O 3.27Å; Y620-G623 WeakPolarHBondContact CB-O 3.44Å; M621-G623 PolarHBondContact O-N 3.37Å
624	L	94.6	Very high	91.5	Very high	4 Å²	4	54 Å²	54	2%	0.021	30%	0.301	C	S	.	.			trans	-127.8	162.9	-178.4	-57	172.5	0	0	0	111.1	Y508 F534 F537 Y620 M628 Y629 L632	Y508-L624 WeakPolarHBondContact CD1-O 3.49Å; F534-L624 HydrophobicContact CD2-CD1 3.93Å; F534-L624 HydrophobicContact CD2-CG 4.44Å; F534-L624 HydrophobicContact CE2-CD1 3.76Å; F534-L624 HydrophobicContact CZ-CD1 4.28Å; F537-L624 HydrophobicContact CB-CD2 3.77Å; F537-L624 HydrophobicContact CD1-CD2 3.71Å; F537-L624 HydrophobicContact CG-CD2 3.96Å; Y620-L624 HydrophobicContact CD1-CD2 3.89Å; Y620-L624 HydrophobicContact CD2-CD2 4.29Å; Y620-L624 HydrophobicContact CG-CD2 3.7Å; L624-M628 HydrophobicContact CB-CB 4.12Å; L624-M628 HydrophobicContact CB-SD 4.34Å; L624-M628 HydrophobicContact CD1-CB 4.4Å; L624-M628 HydrophobicContact CD2-CE 4.2Å; L624-Y629 HydrophobicContact CB-CD1 4.47Å; L624-Y629 HydrophobicContact CB-CD2 4.43Å; L624-Y629 HydrophobicContact CB-CE1 4Å; L624-Y629 HydrophobicContact CB-CE2 3.96Å; L624-Y629 HydrophobicContact CD1-CD1 4.06Å; L624-Y629 HydrophobicContact CD1-CE1 4Å; L624-Y629 HydrophobicContact CG-CE1 4.16Å; L624-Y629 PolarHBondContact N-OH 3.12Å; L624-Y629 VanDerWaalsContact O-CE2 3.29Å; L624-Y629 WeakPolarHBondContact O-CE2 3.47Å; L624-Y629 PolarHBondContact O-OH 3.08Å; L624-L632 HydrophobicContact CD1-CD1 4.21Å; L624-L632 HydrophobicContact CD1-CD2 3.72Å; L624-L632 HydrophobicContact CD1-CG 4.35Å
625	A	92.1	Very high	91.8	Very high	27 Å²	27	54.8 Å²	54.8	22%	0.223	31%	0.305	C	S	.	.			trans	-62.7	143	167.7	0	0	0	0	0	110.8	Y508 G627 M628	Y508-A625 HydrophobicContact CE1-CB 4.49Å; A625-G627 PolarHBondContact O-N 2.8Å; A625-M628 HydrophobicContact CB-CG 4.19Å; A625-M628 HydrophobicContact CB-SD 3.89Å; A625-M628 WeakPolarHBondContact O-CB 3.22Å; A625-M628 PolarHBondContact O-N 3Å
626	Q	85.7	Confident	91.9	Very high	159 Å²	159	54 Å²	54	74%	0.743	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-38	-169.9	-167.3	66.8	24	0	0	114.4	M628	Q626-M628 VanDerWaalsContact C-N 3.3Å; Q626-M628 PolarHBondContact O-N 2.64Å
627	G	86.3	Confident	91.9	Very high	58 Å²	58	51.8 Å²	51.8	60%	0.598	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-6.7	179.9	0	0	0	0	0	115.5	A625 S630	A625-G627 PolarHBondContact O-N 2.8Å; G627-S630 PolarHBondContact O-OG 2.76Å
628	M	91.7	Very high	91.7	Very high	53 Å²	53	50.1 Å²	50.1	26%	0.261	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-32.1	-179.4	-63.3	175.3	71.2	0	0	112.4	F537 Y620 L624 A625 Q626 S630 N631	F537-M628 HydrophobicContact CD1-CE 4.49Å; F537-M628 HydrophobicContact CE1-CE 4.28Å; Y620-M628 HydrophobicContact CD2-CE 4.42Å; Y620-M628 HydrophobicContact CE1-CE 4.4Å; Y620-M628 HydrophobicContact CE1-SD 3.86Å; Y620-M628 HydrophobicContact CE2-CE 3.87Å; Y620-M628 HydrophobicContact CE2-SD 4.31Å; L624-M628 HydrophobicContact CB-CB 4.12Å; L624-M628 HydrophobicContact CB-SD 4.34Å; L624-M628 HydrophobicContact CD1-CB 4.4Å; L624-M628 HydrophobicContact CD2-CE 4.2Å; A625-M628 HydrophobicContact CB-CG 4.19Å; A625-M628 HydrophobicContact CB-SD 3.89Å; A625-M628 WeakPolarHBondContact O-CB 3.22Å; A625-M628 PolarHBondContact O-N 3Å; Q626-M628 VanDerWaalsContact C-N 3.3Å; Q626-M628 PolarHBondContact O-N 2.64Å; M628-S630 PolarHBondContact O-N 2.56Å; M628-S630 VanDerWaalsContact O-N 3.11Å; M628-N631 PolarHBondContact O-N 2.87Å
629	Y	90.8	Very high	91.4	Very high	17 Å²	17	53.3 Å²	53.3	7%	0.067	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-60.6	-23.6	-176.3	-65.7	-77.5	0	0	0	114.2	F534 L624 N631 L632 R639 G641	F534-Y629 HydrophobicContact CD2-CE1 4.26Å; L624-Y629 HydrophobicContact CB-CD1 4.47Å; L624-Y629 HydrophobicContact CB-CD2 4.43Å; L624-Y629 HydrophobicContact CB-CE1 4Å; L624-Y629 HydrophobicContact CB-CE2 3.96Å; L624-Y629 HydrophobicContact CD1-CD1 4.06Å; L624-Y629 HydrophobicContact CD1-CE1 4Å; L624-Y629 HydrophobicContact CG-CE1 4.16Å; L624-Y629 PolarHBondContact N-OH 3.12Å; L624-Y629 VanDerWaalsContact O-CE2 3.29Å; L624-Y629 WeakPolarHBondContact O-CE2 3.47Å; L624-Y629 PolarHBondContact O-OH 3.08Å; Y629-N631 VanDerWaalsContact C-N 3.32Å; Y629-L632 HydrophobicContact CD1-CD1 4.06Å; Y629-R639 WeakPolarHBondContact CD1-O 3.3Å; Y629-G641 WeakPolarHBondContact OH-CA 3.04Å; Y629-G641 PolarHBondContact OH-N 3.43Å; Y629-G641 VanDerWaalsContact OH-N 3.09Å
630	S	87.3	Confident	91.1	Very high	96 Å²	96	57 Å²	57	67%	0.671	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-74.4	-21.4	175.7	62.9	0	0	0	0	113.7	G627 M628	G627-S630 PolarHBondContact O-OG 2.76Å; M628-S630 PolarHBondContact O-N 2.56Å; M628-S630 VanDerWaalsContact O-N 3.11Å
631	N	87.4	Confident	90.9	Very high	135 Å²	135	54.9 Å²	54.9	72%	0.722	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-115.9	24.5	-168.7	-61.2	-8.1	0	0	0	112.3	M628 Y629	M628-N631 PolarHBondContact O-N 2.87Å; Y629-N631 VanDerWaalsContact C-N 3.32Å
632	L	90.1	Very high	90.8	Very high	24 Å²	24	54.8 Å²	54.8	13%	0.126	30%	0.301	C	S	.	.			trans	-75.1	151.4	-178.2	-76.9	169	0	0	0	113.5	F534 F537 L624 Y629 V636 S638	F534-L632 HydrophobicContact CD2-CD1 4.43Å; F534-L632 HydrophobicContact CE2-CD1 3.76Å; F534-L632 HydrophobicContact CE2-CD2 3.9Å; F534-L632 HydrophobicContact CE2-CG 4.5Å; F534-L632 HydrophobicContact CZ-CD2 4.2Å; F537-L632 HydrophobicContact CE2-CD2 4.28Å; F537-L632 HydrophobicContact CZ-CD2 4.44Å; L624-L632 HydrophobicContact CD1-CD1 4.21Å; L624-L632 HydrophobicContact CD1-CD2 3.72Å; L624-L632 HydrophobicContact CD1-CG 4.35Å; Y629-L632 HydrophobicContact CD1-CD1 4.06Å; L632-V636 HydrophobicContact CB-CB 4.49Å; L632-V636 HydrophobicContact CD1-CG1 4.17Å; L632-V636 HydrophobicContact CD2-CG1 4.4Å; L632-S638 WeakPolarHBondContact CD1-O 3.4Å
633	P	90.4	Very high	90.6	Very high	35 Å²	35	58.5 Å²	58.5	23%	0.227	32%	0.318	C	S	.	.			trans	-56.5	144.3	173	-24.2	34	0	0	0	112.8	F545 L635 V636	F545-P633 HydrophobicContact CD1-CB 4.07Å; F545-P633 HydrophobicContact CD1-CG 3.64Å; F545-P633 HydrophobicContact CD2-CG 4.07Å; F545-P633 HydrophobicContact CE1-CB 3.42Å; F545-P633 VanDerWaalsContact CE1-CB 3.42Å; F545-P633 HydrophobicContact CE1-CG 3.54Å; F545-P633 HydrophobicContact CE2-CB 4.11Å; F545-P633 HydrophobicContact CE2-CG 3.99Å; F545-P633 HydrophobicContact CG-CG 3.92Å; F545-P633 HydrophobicContact CZ-CB 3.45Å; F545-P633 VanDerWaalsContact CZ-CB 3.45Å; F545-P633 HydrophobicContact CZ-CG 3.73Å; P633-L635 VanDerWaalsContact C-N 3.25Å; P633-L635 PolarHBondContact O-N 2.87Å; P633-V636 HydrophobicContact CB-CG2 4.19Å; P633-V636 HydrophobicContact CG-CG2 4.41Å; P633-V636 WeakPolarHBondContact O-CB 3.43Å; P633-V636 PolarHBondContact O-N 3.29Å
634	K	85.4	Confident	90.5	Very high	204 Å²	204	59.1 Å²	59.1	89%	0.887	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-28	-167.6	-70.4	-176.8	178.8	176.8	0	116.3
635	L	91.6	Very high	90.6	Very high	74 Å²	74	59.4 Å²	59.4	39%	0.387	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-10.2	-179.9	-66.8	-167.7	0	0	0	114.2	V558 P565 V567 P633	V558-L635 HydrophobicContact CG1-CB 3.83Å; P565-L635 HydrophobicContact CB-CB 4.3Å; P565-L635 HydrophobicContact CB-CD1 3.93Å; P565-L635 HydrophobicContact CB-CG 4.05Å; P565-L635 HydrophobicContact CG-CD1 4.12Å; P565-L635 HydrophobicContact CG-CG 4Å; P565-L635 WeakPolarHBondContact O-CD1 3.49Å; V567-L635 HydrophobicContact CB-CD1 4.47Å; V567-L635 HydrophobicContact CG1-CD1 4.14Å; P633-L635 VanDerWaalsContact C-N 3.25Å; P633-L635 PolarHBondContact O-N 2.87Å
636	V	93	Very high	90.9	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.316	C	S	.	.			trans	-80.5	119.1	176.5	179.5	0	0	0	0	108.5	F534 F545 A547 V558 L632 P633 R639	F534-V636 HydrophobicContact CD2-CG1 4.4Å; F534-V636 HydrophobicContact CE2-CG1 3.35Å; F534-V636 HydrophobicContact CZ-CG1 3.5Å; F534-V636 VanDerWaalsContact CZ-CG1 3.5Å; F545-V636 HydrophobicContact CE2-CG2 3.77Å; F545-V636 HydrophobicContact CZ-CG2 4.25Å; A547-V636 HydrophobicContact CB-CG2 4.02Å; V558-V636 HydrophobicContact CB-CG2 4.28Å; V558-V636 HydrophobicContact CG1-CG2 4.03Å; L632-V636 HydrophobicContact CB-CB 4.49Å; L632-V636 HydrophobicContact CD1-CG1 4.17Å; L632-V636 HydrophobicContact CD2-CG1 4.4Å; P633-V636 HydrophobicContact CB-CG2 4.19Å; P633-V636 HydrophobicContact CG-CG2 4.41Å; P633-V636 WeakPolarHBondContact O-CB 3.43Å; P633-V636 PolarHBondContact O-N 3.29Å; V636-R639 PolarHBondContact O-NH1 3.29Å; V636-R639 PolarHBondContact O-NH2 2.8Å
637	A	91.2	Very high	91.3	Very high	51 Å²	51	50.5 Å²	50.5	42%	0.421	28%	0.281	S	S	.	.			trans	-91.8	-31.5	-169.6	0	0	0	0	0	113.8	E549 V551 R639	E549-A637 PolarHBondContact OE1-N 3.29Å; E549-A637 PolarHBondContact OE2-N 2.96Å; E549-A637 VanDerWaalsContact OE2-N 3.12Å; V551-A637 HydrophobicContact CG1-CB 4.11Å; V551-A637 HydrophobicContact CG2-CB 3.87Å; A637-R639 PolarHBondContact O-NH1 2.93Å
638	S	88.9	Confident	91.7	Very high	6 Å²	6	48 Å²	48	4%	0.042	25%	0.254	C	S	.	.			trans	-68.2	137.3	-172.8	-59.4	0	0	0	0	112.5	E549 L632	E549-S638 WeakPolarHBondContact CB-OG 3.39Å; E549-S638 WeakPolarHBondContact OE2-CB 3.29Å; E549-S638 PolarHBondContact OE2-N 3.05Å; E549-S638 PolarHBondContact OE2-OG 3.13Å; L632-S638 WeakPolarHBondContact CD1-O 3.4Å
639	R	90.1	Very high	91.9	Very high	125 Å²	125	46 Å²	46	47%	0.472	25%	0.245	S	C	.	.	S	Bend	trans	-121	1.8	175.1	-59.2	-63.3	174.3	-96	-0.7	113.2	Y629 V636 A637	Y629-R639 WeakPolarHBondContact CD1-O 3.3Å; V636-R639 PolarHBondContact O-NH1 3.29Å; V636-R639 PolarHBondContact O-NH2 2.8Å; A637-R639 PolarHBondContact O-NH1 2.93Å
640	D	90.2	Very high	92.1	Very high	79 Å²	79	45.3 Å²	45.3	42%	0.422	24%	0.242	S	C	.	.	S	Bend	trans	-125.8	161	171.7	-63.8	-31.9	0	0	0	109.3	K505 F534	K505-D640 HydrophobicContact CB-CB 4.12Å; K505-D640 HydrophobicContact CD-CB 3.52Å; K505-D640 VanDerWaalsContact CD-OD2 3.32Å; K505-D640 WeakPolarHBondContact CD-OD2 3.34Å; K505-D640 HydrophobicContact CG-CB 4.47Å; K505-D640 IonicContact NZ-OD2 2.7Å; K505-D640 PolarHBondContact NZ-OD2 3.44Å; F534-D640 PolarHBondContact N-O 3.36Å; F534-D640 VanDerWaalsContact N-O 3.1Å
641	G	92.8	Very high	92.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-77	169.2	167.9	0	0	0	0	0	113.3	K505 A622 Y629	K505-G641 WeakPolarHBondContact CB-O 3.23Å; K505-G641 WeakPolarHBondContact O-CA 3.42Å; K505-G641 PolarHBondContact O-N 3.14Å; A622-G641 CarbonylContact O-C 3.56Å; A622-G641 VanDerWaalsContact O-CA 3.29Å; A622-G641 WeakPolarHBondContact O-CA 2.98Å; Y629-G641 WeakPolarHBondContact OH-CA 3.04Å; Y629-G641 PolarHBondContact OH-N 3.43Å; Y629-G641 VanDerWaalsContact OH-N 3.09Å
642	F	95.9	Very high	92.6	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.009	19%	0.189	C	C	.	.			trans	-70.5	140.9	171.8	174.8	-97.3	0	0	0	111.2	F526 T528 F534 I535 A622 G644 C645 L646	F526-F642 HydrophobicContact CB-CE2 4.4Å; F526-F642 HydrophobicContact CB-CZ 4.06Å; F526-F642 AromaticContact CD2-CE2 3.95Å; F526-F642 HydrophobicContact CD2-CE2 3.95Å; F526-F642 HydrophobicContact CD2-CZ 4.26Å; T528-F642 HydrophobicContact CG2-CE2 3.85Å; F534-F642 WeakPolarHBondContact O-CB 3.41Å; F534-F642 PolarHBondContact O-N 3.01Å; F534-F642 VanDerWaalsContact O-N 3.07Å; I535-F642 HydrophobicContact CD1-CD2 4.2Å; I535-F642 HydrophobicContact CD1-CE2 4.4Å; I535-F642 HydrophobicContact CG1-CB 4.16Å; I535-F642 HydrophobicContact CG1-CD2 3.76Å; I535-F642 HydrophobicContact CG1-CE2 4.38Å; I535-F642 HydrophobicContact CG1-CG 4.09Å; A622-F642 HydrophobicContact CB-CB 4.22Å; A622-F642 HydrophobicContact CB-CD1 4.22Å; A622-F642 PolarHBondContact O-N 2.68Å; F642-G644 VanDerWaalsContact CE1-C 3.48Å; F642-C645 WeakPolarHBondContact CZ-O 3.27Å; F642-L646 HydrophobicContact CD1-CD2 4.35Å; F642-L646 HydrophobicContact CD1-CG 4.4Å; F642-L646 HydrophobicContact CE1-CD2 3.82Å; F642-L646 HydrophobicContact CE1-CG 4Å; F642-L646 HydrophobicContact CZ-CD2 4.08Å
643	Q	92.4	Very high	92.5	Very high	77 Å²	77	36.3 Å²	36.3	36%	0.36	19%	0.19	S	C	.	.			trans	-126.1	126.4	172.5	179.8	-177.5	11.1	0	0	107.6	K503 K505 T528	K503-Q643 WeakPolarHBondContact O-CG 3.45Å; K503-Q643 PolarHBondContact O-NE2 3.31Å; K505-Q643 HydrophobicContact CG-CB 3.89Å; T528-Q643 WeakPolarHBondContact CB-O 3.27Å; T528-Q643 PolarHBondContact OG1-O 3.38Å
644	G	93.4	Very high	92.6	Very high	16 Å²	16	40.1 Å²	40.1	17%	0.165	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.4	-157.2	-170.7	0	0	0	0	0	111.3	F502 K527 F642	F502-G644 PolarHBondContact N-O 2.89Å; F502-G644 PolarHBondContact O-N 2.79Å; K527-G644 CarbonylContact O-C 3.46Å; K527-G644 WeakPolarHBondContact O-CA 3.35Å; F642-G644 VanDerWaalsContact CE1-C 3.48Å
645	C	96.2	Very high	92.9	Very high	9 Å²	9	32.7 Å²	32.7	6%	0.061	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	145.2	-179.1	-45.4	0	0	0	0	112.2	V500 T501 F526 K527 W581 F642 C673	V500-C645 CarbonylContact O-C 3.53Å; V500-C645 VanDerWaalsContact O-CA 3.26Å; V500-C645 WeakPolarHBondContact O-CA 3.1Å; T501-C645 PolarHBondContact OG1-SG 3Å; F526-C645 VanDerWaalsContact CA-O 3.27Å; F526-C645 WeakPolarHBondContact CA-O 3.28Å; K527-C645 HydrophobicContact CB-CB 4.37Å; K527-C645 PolarHBondContact N-O 3.32Å; K527-C645 PolarHBondContact O-N 3.09Å; W581-C645 HydrophobicContact CH2-CB 3.52Å; W581-C645 HydrophobicContact CZ2-CB 4.15Å; W581-C645 HydrophobicContact CZ3-CB 4.12Å; F642-C645 WeakPolarHBondContact CZ-O 3.27Å; C645-C673 HydrophobicContact CB-CB 3.61Å; C645-C673 WeakPolarHBondContact CB-SG 3.36Å; C645-C673 VanDerWaalsContact SG-CA 3.57Å; C645-C673 WeakPolarHBondContact SG-CB 3.17Å; C645-C673 CovalentContact SG-SG 2.02Å; C645-C673 PolarHBondContact SG-SG 2.62Å
646	L	97.6	Very high	93	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	147.2	162.5	-60.7	-179.9	0	0	0	109.1	P499 V500 F502 F524 Q525 F526 I535 M621 A622 F642 V649 L658	P499-L646 CarbonylContact C-O 3.54Å; P499-L646 WeakPolarHBondContact CA-O 3.49Å; V500-L646 PolarHBondContact N-O 2.79Å; V500-L646 PolarHBondContact O-N 3.16Å; F502-L646 HydrophobicContact CD2-CD1 4.49Å; F502-L646 HydrophobicContact CD2-CG 4.39Å; F502-L646 HydrophobicContact CE2-CB 4.27Å; F502-L646 HydrophobicContact CE2-CD1 3.83Å; F502-L646 HydrophobicContact CE2-CG 4.03Å; F502-L646 HydrophobicContact CZ-CD1 4.41Å; F524-L646 HydrophobicContact CD2-CD2 4.29Å; Q525-L646 CarbonylContact O-C 3.57Å; Q525-L646 WeakPolarHBondContact O-CA 3.37Å; F526-L646 HydrophobicContact CB-CD2 3.69Å; I535-L646 HydrophobicContact CG2-CD1 4.37Å; I535-L646 HydrophobicContact CG2-CD2 4.02Å; M621-L646 HydrophobicContact CE-CD1 4.16Å; A622-L646 HydrophobicContact CB-CD1 4.42Å; F642-L646 HydrophobicContact CD1-CD2 4.35Å; F642-L646 HydrophobicContact CD1-CG 4.4Å; F642-L646 HydrophobicContact CE1-CD2 3.82Å; F642-L646 HydrophobicContact CE1-CG 4Å; F642-L646 HydrophobicContact CZ-CD2 4.08Å; L646-V649 HydrophobicContact CB-CG2 4.37Å; L646-L658 HydrophobicContact CB-CD1 4.29Å
647	A	95.6	Very high	92.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	166.1	176.8	0	0	0	0	0	110.7	I496 A497 P499 Q525 W581 V649	I496-A647 HydrophobicContact CG2-CB 3.51Å; A497-A647 WeakPolarHBondContact O-CA 3.21Å; A497-A647 WeakPolarHBondContact O-CB 3.41Å; P499-A647 HydrophobicContact CB-CB 4.09Å; Q525-A647 HydrophobicContact CB-CB 4.25Å; Q525-A647 PolarHBondContact N-O 2.93Å; Q525-A647 PolarHBondContact O-N 3.22Å; W581-A647 HydrophobicContact CH2-CB 3.49Å; W581-A647 VanDerWaalsContact CH2-CB 3.49Å; W581-A647 HydrophobicContact CZ2-CB 4.32Å; W581-A647 HydrophobicContact CZ3-CB 3.63Å; A647-V649 PolarHBondContact O-N 3.33Å; A647-V649 VanDerWaalsContact O-N 3.11Å
648	S	94.3	Very high	93.1	Very high	5 Å²	5	29.4 Å²	29.4	4%	0.035	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51.6	36.4	173.7	-52.1	0	0	0	0	113.8	A497 F523 Q525 D650	A497-S648 PolarHBondContact N-OG 2.04Å; A497-S648 PolarHBondContact O-N 3.18Å; F523-S648 VanDerWaalsContact CD1-O 3.28Å; F523-S648 WeakPolarHBondContact CD1-O 3.34Å; Q525-S648 VanDerWaalsContact OE1-CB 3.31Å; Q525-S648 PolarHBondContact OE1-OG 3.43Å; S648-D650 PolarHBondContact O-N 3.43Å
649	V	96.1	Very high	93.2	Very high	11 Å²	11	30.1 Å²	30.1	7%	0.067	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	117.8	-174.4	-178.7	0	0	0	0	110.3	F523 F524 M621 L646 A647 L651 L655 P656 L658	F523-V649 CarbonylContact O-C 3.57Å; F523-V649 WeakPolarHBondContact O-CA 3.35Å; F524-V649 HydrophobicContact CB-CG2 4.02Å; M621-V649 HydrophobicContact CE-CG1 4.09Å; L646-V649 HydrophobicContact CB-CG2 4.37Å; A647-V649 PolarHBondContact O-N 3.33Å; A647-V649 VanDerWaalsContact O-N 3.11Å; V649-L651 HydrophobicContact CG1-CD2 3.9Å; V649-L651 HydrophobicContact CG1-CG 3.95Å; V649-L655 WeakPolarHBondContact O-CD2 3.4Å; V649-P656 HydrophobicContact CG1-CG 4.21Å; V649-P656 WeakPolarHBondContact O-CD 3.43Å; V649-L658 HydrophobicContact CG1-CD2 4.44Å; V649-L658 HydrophobicContact CG2-CD1 4.01Å; V649-L658 HydrophobicContact CG2-CD2 4.41Å; V649-L658 HydrophobicContact CG2-CG 4.48Å
650	D	94.1	Very high	93.4	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.011	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	116.5	174	-175.3	6.2	0	0	0	109.4	R344 L522 F523 S648 G653 L655	R344-D650 IonicContact CZ-OD1 2.66Å; R344-D650 IonicContact CZ-OD2 2.65Å; R344-D650 VanDerWaalsContact CZ-OD2 3.28Å; R344-D650 IonicContact NE-OD1 3.53Å; R344-D650 IonicContact NE-OD2 3.49Å; R344-D650 PolarHBondContact NE-OD2 2.9Å; R344-D650 IonicContact NH2-OD1 2.74Å; R344-D650 PolarHBondContact NH2-OD1 2.81Å; R344-D650 IonicContact NH2-OD2 3.62Å; R344-D650 PolarHBondContact NH2-OD2 3.46Å; L522-D650 WeakPolarHBondContact CA-O 3.24Å; F523-D650 HydrophobicContact CB-CB 4.1Å; F523-D650 PolarHBondContact N-O 2.97Å; F523-D650 VanDerWaalsContact N-O 3.09Å; F523-D650 PolarHBondContact O-N 3.37Å; S648-D650 PolarHBondContact O-N 3.43Å; D650-G653 VanDerWaalsContact OD1-C 3.32Å; D650-G653 WeakPolarHBondContact OD1-CA 3.29Å; D650-G653 PolarHBondContact OD1-N 2.92Å; D650-L655 HydrophobicContact CB-CD2 4.26Å
651	L	94.3	Very high	93.5	Very high	16 Å²	16	28.7 Å²	28.7	8%	0.084	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	79.9	-178.9	-59.5	180	0	0	0	109.3	L511 L514 L522 L536 L619 V649 G653 R654 P656	L511-L651 HydrophobicContact CD1-CD1 3.77Å; L514-L651 HydrophobicContact CD1-CB 3.95Å; L522-L651 HydrophobicContact CD2-CD2 4.18Å; L536-L651 HydrophobicContact CD1-CD2 4.09Å; L619-L651 HydrophobicContact CD2-CD1 3.41Å; L619-L651 VanDerWaalsContact CD2-CD1 3.41Å; L619-L651 HydrophobicContact CD2-CD2 4.12Å; L619-L651 HydrophobicContact CD2-CG 4.37Å; V649-L651 HydrophobicContact CG1-CD2 3.9Å; V649-L651 HydrophobicContact CG1-CG 3.95Å; L651-G653 VanDerWaalsContact C-N 3.33Å; L651-G653 PolarHBondContact O-N 3.45Å; L651-R654 PolarHBondContact N-O 2.91Å; L651-R654 PolarHBondContact O-N 2.87Å; L651-P656 HydrophobicContact CD1-CG 3.82Å; L651-P656 HydrophobicContact CG-CG 4.27Å
652	N	91.3	Very high	93.7	Very high	35 Å²	35	29.7 Å²	29.7	19%	0.187	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	45.8	-178.7	-150.7	37.2	0	0	0	113.9	L514 Q515 S519 M520 H521	L514-N652 HydrophobicContact CD1-CB 4.47Å; Q515-N652 PolarHBondContact O-ND2 2.88Å; S519-N652 PolarHBondContact O-ND2 2.94Å; M520-N652 WeakPolarHBondContact CA-OD1 3.37Å; H521-N652 PolarHBondContact N-OD1 2.96Å; H521-N652 WeakPolarHBondContact O-CA 3.34Å; H521-N652 PolarHBondContact O-N 2.86Å
653	G	87.9	Confident	93.7	Very high	15 Å²	15	34.8 Å²	34.8	16%	0.155	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.3	-18.8	-179	0	0	0	0	0	113.8	R344 Y346 S456 D650 L651	R344-G653 PolarHBondContact NH2-O 3.18Å; Y346-G653 VanDerWaalsContact CD2-CA 3.47Å; S456-G653 WeakPolarHBondContact CB-O 3.25Å; S456-G653 PolarHBondContact OG-O 2.77Å; D650-G653 VanDerWaalsContact OD1-C 3.32Å; D650-G653 WeakPolarHBondContact OD1-CA 3.29Å; D650-G653 PolarHBondContact OD1-N 2.92Å; L651-G653 VanDerWaalsContact C-N 3.33Å; L651-G653 PolarHBondContact O-N 3.45Å
654	R	91.7	Very high	93.8	Very high	116 Å²	116	35.7 Å²	35.7	44%	0.438	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-85.2	125.7	175	-176.7	178	176.2	172.6	-0.7	110.7	L651 P656 D661	L651-R654 PolarHBondContact N-O 2.91Å; L651-R654 PolarHBondContact O-N 2.87Å; R654-P656 WeakPolarHBondContact O-CD 3.43Å; R654-D661 IonicContact CZ-OD2 2.73Å; R654-D661 IonicContact NE-OD2 3.58Å; R654-D661 IonicContact NH2-OD2 2.76Å; R654-D661 PolarHBondContact NH2-OD2 3.09Å
655	L	91.8	Very high	93.9	Very high	48 Å²	48	41.6 Å²	41.6	25%	0.251	21%	0.207	S	C	.	.			trans	-92.8	95.6	163.2	-65.4	177.4	0	0	0	108.9	I459 V649 D650	I459-L655 HydrophobicContact CD1-CD1 4.05Å; I459-L655 HydrophobicContact CD1-CD2 3.8Å; I459-L655 HydrophobicContact CG1-CD1 4.22Å; V649-L655 WeakPolarHBondContact O-CD2 3.4Å; D650-L655 HydrophobicContact CB-CD2 4.26Å
656	P	93.4	Very high	93.8	Very high	11 Å²	11	43.1 Å²	43.1	7%	0.071	22%	0.218	C	C	.	.			trans	-72.9	136.2	171.2	32.4	-36.4	0	0	0	110.4	L511 V649 L651 R654 L658 D661	L511-P656 HydrophobicContact CD1-CB 3.96Å; L511-P656 HydrophobicContact CD1-CG 3.92Å; L511-P656 HydrophobicContact CD2-CB 4.24Å; V649-P656 HydrophobicContact CG1-CG 4.21Å; V649-P656 WeakPolarHBondContact O-CD 3.43Å; L651-P656 HydrophobicContact CD1-CG 3.82Å; L651-P656 HydrophobicContact CG-CG 4.27Å; R654-P656 WeakPolarHBondContact O-CD 3.43Å; P656-L658 HydrophobicContact CG-CD2 4.13Å; P656-L658 PolarHBondContact O-N 3.49Å; P656-L658 VanDerWaalsContact O-N 3.16Å; P656-D661 HydrophobicContact CB-CB 4.36Å
657	D	92.4	Very high	93.4	Very high	42 Å²	42	45.7 Å²	45.7	23%	0.225	25%	0.245	C	C	.	.			trans	-70.8	104.5	155.1	177.6	-38.9	0	0	0	106.8	I659 N660 D661 R671	D657-I659 PolarHBondContact O-N 2.85Å; D657-I659 PolarHBondContact OD1-N 3.03Å; D657-N660 HydrophobicContact CB-CB 4.11Å; D657-N660 PolarHBondContact O-N 2.95Å; D657-N660 PolarHBondContact OD1-N 3.17Å; D657-N660 PolarHBondContact OD2-ND2 2.92Å; D657-D661 VanDerWaalsContact O-CB 3.27Å; D657-D661 WeakPolarHBondContact O-CB 3.19Å; D657-D661 PolarHBondContact O-N 3.37Å; D657-R671 IonicContact OD1-CZ 2.8Å; D657-R671 IonicContact OD1-NH1 3.58Å; D657-R671 PolarHBondContact OD1-NH1 3.48Å; D657-R671 IonicContact OD1-NH2 3.97Å; D657-R671 PolarHBondContact OD1-NH2 3.34Å; D657-R671 IonicContact OD2-CZ 2.76Å; D657-R671 IonicContact OD2-NH1 2.7Å; D657-R671 IonicContact OD2-NH2 3.63Å; D657-R671 PolarHBondContact OD2-NH2 2.92Å
658	L	93.9	Very high	93	Very high	3 Å²	3	51 Å²	51	2%	0.016	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-28.2	-170.7	-72.8	-178.8	0	0	0	113.3	V500 L509 L511 M621 L646 V649 P656	V500-L658 HydrophobicContact CB-CD1 4.06Å; V500-L658 HydrophobicContact CG2-CB 4.16Å; V500-L658 HydrophobicContact CG2-CD1 4.29Å; L509-L658 HydrophobicContact CD2-CB 4.17Å; L509-L658 WeakPolarHBondContact CD2-O 3.42Å; L511-L658 HydrophobicContact CD1-CD2 4.02Å; M621-L658 HydrophobicContact CE-CD2 4.39Å; L646-L658 HydrophobicContact CB-CD1 4.29Å; V649-L658 HydrophobicContact CG1-CD2 4.44Å; V649-L658 HydrophobicContact CG2-CD1 4.01Å; V649-L658 HydrophobicContact CG2-CD2 4.41Å; V649-L658 HydrophobicContact CG2-CG 4.48Å; P656-L658 HydrophobicContact CG-CD2 4.13Å; P656-L658 PolarHBondContact O-N 3.49Å; P656-L658 VanDerWaalsContact O-N 3.16Å
659	I	92.3	Very high	92.9	Very high	21 Å²	21	52.1 Å²	52.1	11%	0.108	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-37.3	-176.2	-65.1	-174.4	0	0	0	111.8	V500 D657 R665 I669 R671	V500-I659 HydrophobicContact CG1-CD1 4Å; V500-I659 HydrophobicContact CG1-CG1 4.04Å; V500-I659 HydrophobicContact CG2-CD1 4.11Å; V500-I659 HydrophobicContact CG2-CG1 4.12Å; D657-I659 PolarHBondContact O-N 2.85Å; D657-I659 PolarHBondContact OD1-N 3.03Å; I659-R665 PolarHBondContact O-NH1 3.04Å; I659-I669 HydrophobicContact CD1-CG2 4.2Å; I659-I669 HydrophobicContact CG1-CG2 4.14Å; I659-R671 HydrophobicContact CD1-CG 3.55Å
660	N	92.9	Very high	92.5	Very high	113 Å²	113	55 Å²	55	60%	0.604	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-33.2	-177.5	-67.9	-27.9	0	0	0	113.3	D657 A662 R671	D657-N660 HydrophobicContact CB-CB 4.11Å; D657-N660 PolarHBondContact O-N 2.95Å; D657-N660 PolarHBondContact OD1-N 3.17Å; D657-N660 PolarHBondContact OD2-ND2 2.92Å; N660-A662 VanDerWaalsContact C-N 3.26Å; N660-A662 PolarHBondContact O-N 3.39Å; N660-R671 PolarHBondContact ND2-NH2 2.79Å
661	D	94	Very high	92.3	Very high	60 Å²	60	58.4 Å²	58.4	32%	0.321	30%	0.3	S	S	.	.	S	Bend	trans	-81.8	-3.7	176.6	-76.7	8.8	0	0	0	112.9	L511 R654 P656 D657 L663	L511-D661 HydrophobicContact CD2-CB 4Å; R654-D661 IonicContact CZ-OD2 2.73Å; R654-D661 IonicContact NE-OD2 3.58Å; R654-D661 IonicContact NH2-OD2 2.76Å; R654-D661 PolarHBondContact NH2-OD2 3.09Å; P656-D661 HydrophobicContact CB-CB 4.36Å; D657-D661 VanDerWaalsContact O-CB 3.27Å; D657-D661 WeakPolarHBondContact O-CB 3.19Å; D657-D661 PolarHBondContact O-N 3.37Å; D661-L663 PolarHBondContact O-N 2.87Å
662	A	95.7	Very high	91.9	Very high	22 Å²	22	58.9 Å²	58.9	18%	0.182	31%	0.309	C	S	.	.			trans	-65.6	121.4	-177.6	0	0	0	0	0	112.5	L509 T510 N660 R665	L509-A662 HydrophobicContact CB-CB 4.21Å; L509-A662 HydrophobicContact CD1-CB 4.39Å; T510-A662 CarbonylContact O-C 3.59Å; T510-A662 VanDerWaalsContact O-CA 3.29Å; T510-A662 WeakPolarHBondContact O-CA 3.42Å; N660-A662 VanDerWaalsContact C-N 3.26Å; N660-A662 PolarHBondContact O-N 3.39Å; A662-R665 HydrophobicContact CB-CG 3.52Å
663	L	96.4	Very high	91.5	Very high	108 Å²	108	58.3 Å²	58.3	57%	0.565	31%	0.308	S	S	*	.	S	Bend	trans	-69.3	-36.7	172.7	-57.5	179.6	0	0	0	111.2	T510 D661	T510-L663 PolarHBondContact O-N 2.83Å; D661-L663 PolarHBondContact O-N 2.87Å
664	H	95.4	Very high	90.6	Very high	97 Å²	97	64.7 Å²	64.7	45%	0.449	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	151	173.6	-176.2	72.1	0	0	0	110.5	Y508 L509 T510	Y508-H664 AromaticContact CE2-CD2 3.97Å; L509-H664 CarbonylContact C-O 3.49Å; L509-H664 WeakPolarHBondContact CA-O 3.41Å; L509-H664 WeakPolarHBondContact CB-O 3.45Å; T510-H664 PolarHBondContact N-O 2.88Å; T510-H664 WeakPolarHBondContact OG1-CB 3.32Å; T510-H664 PolarHBondContact OG1-N 2.99Å
665	R	94.7	Very high	88.4	Confident	139 Å²	139	61.8 Å²	61.8	53%	0.525	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	136.4	176.9	-62	179.8	-61.4	-156.4	6.2	109.3	L509 I659 A662 I669	L509-R665 HydrophobicContact CB-CG 4.08Å; I659-R665 PolarHBondContact O-NH1 3.04Å; A662-R665 HydrophobicContact CB-CG 3.52Å; R665-I669 HydrophobicContact CB-CD1 4.4Å
666	S	94.1	Very high	85.9	Confident	42 Å²	42	63.6 Å²	63.6	29%	0.294	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	145.4	177.3	-173.5	0	0	0	0	110.1	S507 Y508	S507-S666 CarbonylContact C-O 3.51Å; S507-S666 VanDerWaalsContact CA-O 3.26Å; S507-S666 WeakPolarHBondContact CA-O 3.5Å; Y508-S666 VanDerWaalsContact CE1-CB 3.44Å; Y508-S666 PolarHBondContact N-O 2.82Å; Y508-S666 PolarHBondContact O-N 2.8Å
667	G	90	Very high	83.1	Confident	54 Å²	54	69.9 Å²	69.9	56%	0.557	38%	0.383	S	S	*	.	S	Bend	trans	78.3	-152.4	-176.7	0	0	0	0	0	114.2
668	Q	86.5	Confident	80.4	Confident	110 Å²	110	74.8 Å²	74.8	51%	0.514	41%	0.414	S	S	.	.			trans	-111.3	105.9	-175	-75.2	-179.7	-13.7	0	0	109.7	K503 S507	K503-Q668 HydrophobicContact CB-CB 3.84Å; K503-Q668 HydrophobicContact CD-CB 4.21Å; K503-Q668 HydrophobicContact CG-CB 4.43Å; K503-Q668 PolarHBondContact N-O 2.84Å; S507-Q668 PolarHBondContact OG-N 3.07Å; S507-Q668 PolarHBondContact OG-O 2.88Å
669	I	92	Very high	77.4	Confident	30 Å²	30	81.4 Å²	81.4	15%	0.154	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.4	-175.9	-52.9	173.7	0	0	0	107.7	V500 T501 F502 Y508 L509 I659 R665	V500-I669 HydrophobicContact CG1-CG2 3.53Å; T501-I669 WeakPolarHBondContact O-CA 3.38Å; F502-I669 HydrophobicContact CD1-CD1 4.05Å; F502-I669 HydrophobicContact CD1-CG1 3.88Å; F502-I669 HydrophobicContact CD1-CG2 4.31Å; F502-I669 HydrophobicContact CE1-CD1 3.84Å; F502-I669 HydrophobicContact CE1-CG1 4.1Å; F502-I669 HydrophobicContact CE1-CG2 4.09Å; F502-I669 HydrophobicContact CZ-CG2 4.41Å; Y508-I669 WeakPolarHBondContact O-CD1 3.46Å; L509-I669 HydrophobicContact CB-CD1 4.05Å; L509-I669 HydrophobicContact CD2-CD1 4.16Å; L509-I669 HydrophobicContact CD2-CG2 4.34Å; I659-I669 HydrophobicContact CD1-CG2 4.2Å; I659-I669 HydrophobicContact CG1-CG2 4.14Å; R665-I669 HydrophobicContact CB-CD1 4.4Å
670	E	88.1	Confident	74.8	Confident	72 Å²	72	85.9 Å²	85.9	34%	0.336	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.7	-172.2	-72.9	170.8	-152.2	0	0	110.7	V500 T501 K503	V500-E670 CarbonylContact C-O 3.6Å; V500-E670 WeakPolarHBondContact CA-O 3.35Å; T501-E670 PolarHBondContact N-O 2.86Å; T501-E670 PolarHBondContact O-N 3.42Å; K503-E670 VanDerWaalsContact CE-CD 3.4Å; K503-E670 VanDerWaalsContact CE-OE1 3.29Å; K503-E670 WeakPolarHBondContact CE-OE1 3.41Å; K503-E670 WeakPolarHBondContact CE-OE2 3.38Å; K503-E670 IonicContact NZ-OE1 2.73Å; K503-E670 PolarHBondContact NZ-OE1 2.93Å; K503-E670 IonicContact NZ-OE2 2.8Å; K503-E670 PolarHBondContact NZ-OE2 3.07Å
671	R	89.5	Confident	72.2	Confident	72 Å²	72	84.8 Å²	84.8	27%	0.272	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	157.7	172.3	-66.2	-171.2	-178.4	-85.2	-0.8	110.9	D498 D657 I659 N660 W704	D498-R671 VanDerWaalsContact CG-NH1 3.3Å; D498-R671 IonicContact OD1-NH1 3.35Å; D498-R671 PolarHBondContact OD1-NH1 2.9Å; D498-R671 IonicContact OD2-NH1 2.66Å; D498-R671 PolarHBondContact OD2-NH1 3.03Å; D657-R671 IonicContact OD1-CZ 2.8Å; D657-R671 IonicContact OD1-NH1 3.58Å; D657-R671 PolarHBondContact OD1-NH1 3.48Å; D657-R671 IonicContact OD1-NH2 3.97Å; D657-R671 PolarHBondContact OD1-NH2 3.34Å; D657-R671 IonicContact OD2-CZ 2.76Å; D657-R671 IonicContact OD2-NH1 2.7Å; D657-R671 IonicContact OD2-NH2 3.63Å; D657-R671 PolarHBondContact OD2-NH2 2.92Å; I659-R671 HydrophobicContact CD1-CG 3.55Å; N660-R671 PolarHBondContact ND2-NH2 2.79Å; R671-W704 VanDerWaalsContact CD-CZ3 3.45Å
672	G	85.8	Confident	69.7	Low	26 Å²	26	89.4 Å²	89.4	27%	0.268	50%	0.501	S	S	.	.	S	Bend	trans	86.1	170.4	-174.2	0	0	0	0	0	112.9	P499 T501	P499-G672 CarbonylContact O-C 3.51Å; P499-G672 WeakPolarHBondContact O-CA 3.31Å; P499-G672 PolarHBondContact O-N 3.03Å; T501-G672 PolarHBondContact N-O 2.79Å; T501-G672 PolarHBondContact OG1-O 2.77Å
673	C	84.1	Confident	66.8	Low	23 Å²	23	95.3 Å²	95.3	16%	0.155	53%	0.525	C	S	.	.			trans	-139.1	48.7	169.7	-176.2	0	0	0	0	109.6	P499 W581 C645 V675	P499-C673 HydrophobicContact CB-CB 3.92Å; W581-C673 HydrophobicContact CH2-CB 4.07Å; W581-C673 HydrophobicContact CZ2-CB 3.55Å; W581-C673 WeakPolarHBondContact CZ2-SG 3.29Å; C645-C673 HydrophobicContact CB-CB 3.61Å; C645-C673 WeakPolarHBondContact CB-SG 3.36Å; C645-C673 VanDerWaalsContact SG-CA 3.57Å; C645-C673 WeakPolarHBondContact SG-CB 3.17Å; C645-C673 CovalentContact SG-SG 2.02Å; C645-C673 PolarHBondContact SG-SG 2.62Å; C673-V675 PolarHBondContact O-N 2.96Å
674	E	68.4	Low	63.8	Low	149 Å²	149	93 Å²	93	70%	0.696	53%	0.527	S	S	*	.			trans	-73.7	107.4	168.4	-65.4	-166.3	150.6	0	0	107.7	A676	E674-A676 PolarHBondContact O-N 3.43Å; E674-A676 VanDerWaalsContact O-N 3.08Å
675	V	45.8	Very low	61.7	Low	55 Å²	55	92.2 Å²	92.2	33%	0.333	53%	0.53	S	S	.	.			trans	-60.1	117.2	173.3	179.5	0	0	0	0	107.2	C673 L677	C673-V675 PolarHBondContact O-N 2.96Å; V675-L677 HydrophobicContact CG1-CD2 4.21Å; V675-L677 HydrophobicContact CG1-CG 4.3Å; V675-L677 PolarHBondContact O-N 2.69Å
676	A	39.7	Very low	59.5	Low	87 Å²	87	88.2 Å²	88.2	72%	0.719	52%	0.524	S	S	*	.			trans	-61.6	84.1	158	0	0	0	0	0	107.8	E674 T678	E674-A676 PolarHBondContact O-N 3.43Å; E674-A676 VanDerWaalsContact O-N 3.08Å; A676-T678 PolarHBondContact O-N 3.23Å
677	L	33.3	Very low	57.8	Low	142 Å²	142	89.8 Å²	89.8	74%	0.743	53%	0.532	S	S	*	.			trans	-58.4	113.4	168.4	-77.3	172.3	0	0	0	105.5	V675 K679	V675-L677 HydrophobicContact CG1-CD2 4.21Å; V675-L677 HydrophobicContact CG1-CG 4.3Å; V675-L677 PolarHBondContact O-N 2.69Å; L677-K679 VanDerWaalsContact C-N 3.34Å; L677-K679 PolarHBondContact O-N 2.73Å
678	T	36.1	Very low	56.8	Low	145 Å²	145	90.3 Å²	90.3	89%	0.89	52%	0.524	S	S	*	.			trans	-64.1	98.4	-178.3	50.1	0	0	0	0	109.4	A676	A676-T678 PolarHBondContact O-N 3.23Å
679	K	31.5	Very low	56.3	Low	143 Å²	143	87.2 Å²	87.2	62%	0.622	52%	0.515	S	S	*	.			trans	-136.3	135.9	163.3	-112.2	169.5	166.5	-91.1	0	106.6	L677 D681	L677-K679 VanDerWaalsContact C-N 3.34Å; L677-K679 PolarHBondContact O-N 2.73Å; K679-D681 HydrophobicContact CB-CB 4.09Å; K679-D681 WeakPolarHBondContact CB-O 3.22Å; K679-D681 HydrophobicContact CD-CB 4.21Å; K679-D681 HydrophobicContact CG-CB 4.21Å; K679-D681 IonicContact NZ-OD2 3.18Å; K679-D681 PolarHBondContact NZ-OD2 3.49Å; K679-D681 PolarHBondContact O-N 2.86Å; K679-D681 VanDerWaalsContact O-N 3.08Å
680	A	36.5	Very low	55.8	Low	114 Å²	114	89.6 Å²	89.6	94%	0.942	53%	0.525	S	S	*	.	S	Bend	trans	-72	19.4	158.2	0	0	0	0	0	111.5
681	D	39	Very low	55.2	Low	91 Å²	91	96.2 Å²	96.2	49%	0.487	56%	0.556	S	S	.	*	S	Bend	trans	-121.9	110.5	173.5	-44.9	-51.4	0	0	0	107.5	K679	K679-D681 HydrophobicContact CB-CB 4.09Å; K679-D681 WeakPolarHBondContact CB-O 3.22Å; K679-D681 HydrophobicContact CD-CB 4.21Å; K679-D681 HydrophobicContact CG-CB 4.21Å; K679-D681 IonicContact NZ-OD2 3.18Å; K679-D681 PolarHBondContact NZ-OD2 3.49Å; K679-D681 PolarHBondContact O-N 2.86Å; K679-D681 VanDerWaalsContact O-N 3.08Å
682	L	41.3	Very low	54.9	Low	156 Å²	156	99.3 Å²	99.3	82%	0.817	58%	0.578	S	S	*	*	S	Bend	trans	75.9	94.9	162.5	-58.8	156.6	0	0	0	117.9
683	Q	35.4	Very low	54.8	Low	146 Å²	146	98.6 Å²	98.6	68%	0.682	57%	0.569	S	S	*	*			trans	47.4	129.9	153.2	-87.5	71.4	-1	0	0	121.7
684	G	32	Very low	55	Low	59 Å²	59	98.1 Å²	98.1	61%	0.608	57%	0.566	S	S	*	*			trans	-87.5	-160.2	171.4	0	0	0	0	0	115.2
685	P	51.2	Low	56.1	Low	81 Å²	81	92.1 Å²	92.1	53%	0.526	54%	0.542	S	S	.	.	S	Bend	trans	-80.8	144.7	-140.4	30.6	-37.4	0	0	0	115.6
686	S	49.2	Very low	58.2	Low	55 Å²	55	92.4 Å²	92.4	39%	0.385	54%	0.541	S	S	.	.	S	Bend	trans	55	127.8	-167.4	72.7	0	0	0	0	112	T688	S686-T688 VanDerWaalsContact C-N 3.32Å; S686-T688 PolarHBondContact O-N 2.7Å
687	T	57.8	Low	60.7	Low	76 Å²	76	91.8 Å²	91.8	47%	0.466	52%	0.523	S	S	.	.			trans	-68.9	95	177.5	51.8	0	0	0	0	109.2	G706 F707	T687-G706 CarbonylContact O-C 3.51Å; T687-G706 VanDerWaalsContact O-C 3.26Å; T687-F707 HydrophobicContact CG2-CE1 4.37Å; T687-F707 WeakPolarHBondContact O-CD1 3.23Å; T687-F707 PolarHBondContact O-N 2.82Å; T687-F707 VanDerWaalsContact O-N 3.16Å
688	T	70.7	Confident	63.4	Low	65 Å²	65	85.5 Å²	85.5	40%	0.399	49%	0.493	S	S	.	.			trans	-75.3	147.2	167.9	49.1	0	0	0	0	109.2	S686 Q690	S686-T688 VanDerWaalsContact C-N 3.32Å; S686-T688 PolarHBondContact O-N 2.7Å; T688-Q690 PolarHBondContact O-N 2.87Å; T688-Q690 PolarHBondContact O-NE2 2.82Å; T688-Q690 VanDerWaalsContact O-NE2 3.17Å; T688-Q690 PolarHBondContact OG1-NE2 2.91Å; T688-Q690 VanDerWaalsContact OG1-NE2 3.16Å
689	C	76.1	Confident	66.1	Low	45 Å²	45	82.6 Å²	82.6	30%	0.304	48%	0.475	S	S	.	.			trans	-56	111.9	179.3	-77.7	0	0	0	0	112.2	C700	C689-C700 WeakPolarHBondContact CA-SG 3.43Å; C689-C700 HydrophobicContact CB-CB 3.75Å; C689-C700 WeakPolarHBondContact CB-SG 2.92Å; C689-C700 WeakPolarHBondContact SG-CB 3.09Å; C689-C700 CovalentContact SG-SG 2.04Å; C689-C700 PolarHBondContact SG-SG 3.48Å
690	Q	80.6	Confident	68.9	Low	79 Å²	79	77.4 Å²	77.4	37%	0.369	46%	0.456	S	S	.	.			trans	-100.4	165.7	168.3	-52.8	-55.8	-65.3	0	0	109.9	T688 D692 S693	T688-Q690 PolarHBondContact O-N 2.87Å; T688-Q690 PolarHBondContact O-NE2 2.82Å; T688-Q690 VanDerWaalsContact O-NE2 3.17Å; T688-Q690 PolarHBondContact OG1-NE2 2.91Å; T688-Q690 VanDerWaalsContact OG1-NE2 3.16Å; Q690-D692 VanDerWaalsContact CB-OD1 3.3Å; Q690-D692 WeakPolarHBondContact CB-OD1 3.4Å; Q690-D692 PolarHBondContact O-N 2.73Å; Q690-S693 WeakPolarHBondContact CB-OG 3.1Å; Q690-S693 PolarHBondContact N-OG 2.79Å; Q690-S693 WeakPolarHBondContact O-CB 3.29Å; Q690-S693 PolarHBondContact O-N 2.02Å; Q690-S693 VanDerWaalsContact O-N 3.16Å; Q690-S693 PolarHBondContact O-OG 3.36Å
691	E	75.4	Confident	71.1	Confident	211 Å²	211	75.8 Å²	75.8	99%	0.986	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.4	179	-64.1	-171.9	162.3	0	0	113.7
692	D	82.3	Confident	72.9	Confident	137 Å²	137	75.9 Å²	75.9	73%	0.733	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	2	-178.9	66.9	-22	0	0	0	114.1	Q690 C694	Q690-D692 VanDerWaalsContact CB-OD1 3.3Å; Q690-D692 WeakPolarHBondContact CB-OD1 3.4Å; Q690-D692 PolarHBondContact O-N 2.73Å; D692-C694 VanDerWaalsContact C-N 3.25Å; D692-C694 PolarHBondContact O-N 2.72Å
693	S	83.6	Confident	74.2	Confident	11 Å²	11	72.6 Å²	72.6	8%	0.077	41%	0.408	C	S	.	.	S	Bend	trans	-63	-28.7	-176	-71	0	0	0	0	114	Q690 F707	Q690-S693 WeakPolarHBondContact CB-OG 3.1Å; Q690-S693 PolarHBondContact N-OG 2.79Å; Q690-S693 WeakPolarHBondContact O-CB 3.29Å; Q690-S693 PolarHBondContact O-N 2.02Å; Q690-S693 VanDerWaalsContact O-N 3.16Å; Q690-S693 PolarHBondContact O-OG 3.36Å; S693-F707 VanDerWaalsContact CB-CE1 3.5Å; S693-F707 VanDerWaalsContact CB-CZ 3.48Å; S693-F707 WeakPolarHBondContact O-CE2 3.32Å; S693-F707 WeakPolarHBondContact O-CZ 3.44Å; S693-F707 WeakPolarHBondContact OG-CE1 3.45Å
694	C	89.1	Confident	74.9	Confident	14 Å²	14	74.2 Å²	74.2	10%	0.095	41%	0.408	C	S	.	.	S	Bend	trans	-128.6	126	178.8	-59.9	0	0	0	0	110.4	D692 G698 C700 C709	D692-C694 VanDerWaalsContact C-N 3.25Å; D692-C694 PolarHBondContact O-N 2.72Å; C694-G698 WeakPolarHBondContact CB-O 3.35Å; C694-C700 WeakPolarHBondContact SG-CA 3.28Å; C694-C700 WeakPolarHBondContact SG-CB 3.48Å; C694-C709 WeakPolarHBondContact CA-SG 3.41Å; C694-C709 HydrophobicContact CB-CB 3.8Å; C694-C709 WeakPolarHBondContact CB-SG 3.5Å; C694-C709 VanDerWaalsContact SG-CA 3.52Å; C694-C709 WeakPolarHBondContact SG-CB 3.34Å; C694-C709 CovalentContact SG-SG 2.03Å; C694-C709 PolarHBondContact SG-SG 3.28Å
695	A	90.6	Very high	75.7	Confident	23 Å²	23	78.4 Å²	78.4	19%	0.19	41%	0.412	C	S	.	.	S	Bend	trans	-79	167.7	179.7	0	0	0	0	0	112.5	Q697 G698 Q720 C721 N722	A695-Q697 PolarHBondContact O-N 2.87Å; A695-Q697 VanDerWaalsContact O-N 3.1Å; A695-G698 PolarHBondContact O-N 2.94Å; A695-Q720 WeakPolarHBondContact CB-O 3.4Å; A695-Q720 PolarHBondContact N-O 3.37Å; A695-C721 WeakPolarHBondContact O-CB 3.44Å; A695-N722 VanDerWaalsContact CB-CG 3.44Å; A695-N722 WeakPolarHBondContact CB-OD1 3.43Å
696	N	91.4	Very high	76.6	Confident	61 Å²	61	74.9 Å²	74.9	33%	0.326	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	31.3	170.3	-60.5	-59	0	0	0	115.4	G698 T714 Y716 C721 R818	N696-G698 VanDerWaalsContact C-N 3.33Å; N696-T714 WeakPolarHBondContact O-CB 3.39Å; N696-T714 WeakPolarHBondContact O-CG2 3.43Å; N696-Y716 HydrophobicContact CB-CD2 3.4Å; N696-Y716 HydrophobicContact CB-CE2 3.64Å; N696-Y716 HydrophobicContact CB-CG 4.21Å; N696-Y716 VanDerWaalsContact CG-CD2 3.42Å; N696-Y716 WeakPolarHBondContact OD1-CE2 3.33Å; N696-C721 PolarHBondContact ND2-O 2.67Å; N696-R818 PolarHBondContact O-NH2 2.96Å
697	Q	91.4	Very high	78	Confident	73 Å²	73	74 Å²	74	34%	0.341	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	30.3	-172	-49.8	176.2	16.5	0	0	114.4	A695 D831 N832	A695-Q697 PolarHBondContact O-N 2.87Å; A695-Q697 VanDerWaalsContact O-N 3.1Å; Q697-D831 PolarHBondContact NE2-O 2.75Å; Q697-N832 PolarHBondContact NE2-OD1 2.78Å
698	G	91.1	Very high	79.2	Confident	11 Å²	11	73.3 Å²	73.3	11%	0.113	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-61.4	138.9	167.3	0	0	0	0	0	110.6	C694 A695 N696 C700 D710 T714	C694-G698 WeakPolarHBondContact CB-O 3.35Å; A695-G698 PolarHBondContact O-N 2.94Å; N696-G698 VanDerWaalsContact C-N 3.33Å; G698-C700 PolarHBondContact O-N 2.91Å; G698-D710 WeakPolarHBondContact CA-O 3.43Å; G698-T714 VanDerWaalsContact CA-CG2 3.48Å
699	V	92.5	Very high	80.1	Confident	83 Å²	83	71 Å²	71	50%	0.503	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	116.5	179.4	-178.4	0	0	0	0	108.5	M701 D710	V699-M701 PolarHBondContact O-N 2.96Å; V699-D710 HydrophobicContact CB-CB 4.26Å; V699-D710 PolarHBondContact N-O 3.1Å; V699-D710 VanDerWaalsContact N-O 3.09Å; V699-D710 PolarHBondContact O-N 2.93Å
700	C	89.1	Confident	80.8	Confident	35 Å²	35	70.7 Å²	70.7	24%	0.236	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	123.1	174	-167.5	0	0	0	0	110.5	C689 C694 G698 F707	C689-C700 WeakPolarHBondContact CA-SG 3.43Å; C689-C700 HydrophobicContact CB-CB 3.75Å; C689-C700 WeakPolarHBondContact CB-SG 2.92Å; C689-C700 WeakPolarHBondContact SG-CB 3.09Å; C689-C700 CovalentContact SG-SG 2.04Å; C689-C700 PolarHBondContact SG-SG 3.48Å; C694-C700 WeakPolarHBondContact SG-CA 3.28Å; C694-C700 WeakPolarHBondContact SG-CB 3.48Å; G698-C700 PolarHBondContact O-N 2.91Å; C700-F707 VanDerWaalsContact SG-CB 3.51Å; C700-F707 VanDerWaalsContact SG-CG 3.58Å
701	M	82.8	Confident	81.5	Confident	80 Å²	80	67.5 Å²	67.5	39%	0.394	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	114.9	178.4	-61.4	-176.4	-62.7	0	0	109	V699 Q703 F707 T708 D710	V699-M701 PolarHBondContact O-N 2.96Å; M701-Q703 PolarHBondContact O-N 2.8Å; M701-F707 WeakPolarHBondContact O-CA 3.44Å; M701-T708 PolarHBondContact N-O 3.18Å; M701-T708 PolarHBondContact O-N 3.08Å; M701-D710 HydrophobicContact CE-CB 3.9Å; M701-D710 HydrophobicContact SD-CB 4.17Å
702	Q	78.3	Confident	82.3	Confident	92 Å²	92	58.4 Å²	58.4	43%	0.43	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	124.8	175.6	-169.4	63.5	57.2	0	0	110.2	G706	Q702-G706 PolarHBondContact NE2-O 3.04Å
703	Q	68.1	Low	82.9	Confident	88 Å²	88	52.9 Å²	52.9	41%	0.411	27%	0.274	S	S	.	.			trans	-108.4	175	168.5	-54.4	-57.4	-36.3	0	0	109.7	M701 G706 T708	M701-Q703 PolarHBondContact O-N 2.8Å; Q703-G706 CarbonylContact C-O 3.46Å; Q703-G706 VanDerWaalsContact C-O 3.31Å; Q703-G706 VanDerWaalsContact CA-O 3.26Å; Q703-G706 WeakPolarHBondContact CA-O 3.47Å; Q703-G706 VanDerWaalsContact CB-O 3.32Å; Q703-G706 WeakPolarHBondContact CB-O 3.01Å; Q703-G706 PolarHBondContact N-O 2.74Å; Q703-T708 HydrophobicContact CG-CG2 3.89Å; Q703-T708 PolarHBondContact NE2-OG1 2.97Å; Q703-T708 VanDerWaalsContact NE2-OG1 3.16Å
704	W	49.5	Very low	83.4	Confident	179 Å²	179	52.4 Å²	52.4	68%	0.678	27%	0.27	S	S	*	.	S	Bend	trans	-79.4	-20.5	179	71.9	-88.6	0	0	0	113.7	R671	R671-W704 VanDerWaalsContact CD-CZ3 3.45Å
705	E	48.7	Very low	83.7	Confident	147 Å²	147	51.9 Å²	51.9	69%	0.687	27%	0.266	S	S	*	.	S	Bend	trans	-100.2	-4.7	175.2	-65	-174.9	132.8	0	0	114.1
706	G	69.4	Low	83.8	Confident	8 Å²	8	53.7 Å²	53.7	8%	0.082	27%	0.269	C	S	.	.	S	Bend	trans	154.5	-151.3	-171.3	0	0	0	0	0	111	T687 Q702 Q703	T687-G706 CarbonylContact O-C 3.51Å; T687-G706 VanDerWaalsContact O-C 3.26Å; Q702-G706 PolarHBondContact NE2-O 3.04Å; Q703-G706 CarbonylContact C-O 3.46Å; Q703-G706 VanDerWaalsContact C-O 3.31Å; Q703-G706 VanDerWaalsContact CA-O 3.26Å; Q703-G706 WeakPolarHBondContact CA-O 3.47Å; Q703-G706 VanDerWaalsContact CB-O 3.32Å; Q703-G706 WeakPolarHBondContact CB-O 3.01Å; Q703-G706 PolarHBondContact N-O 2.74Å
707	F	78.6	Confident	83.7	Confident	36 Å²	36	52.6 Å²	52.6	16%	0.158	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	159.5	170.7	72.8	-105.6	0	0	0	113.1	T687 S693 C700 M701	T687-F707 HydrophobicContact CG2-CE1 4.37Å; T687-F707 WeakPolarHBondContact O-CD1 3.23Å; T687-F707 PolarHBondContact O-N 2.82Å; T687-F707 VanDerWaalsContact O-N 3.16Å; S693-F707 VanDerWaalsContact CB-CE1 3.5Å; S693-F707 VanDerWaalsContact CB-CZ 3.48Å; S693-F707 WeakPolarHBondContact O-CE2 3.32Å; S693-F707 WeakPolarHBondContact O-CZ 3.44Å; S693-F707 WeakPolarHBondContact OG-CE1 3.45Å; C700-F707 VanDerWaalsContact SG-CB 3.51Å; C700-F707 VanDerWaalsContact SG-CG 3.58Å; M701-F707 WeakPolarHBondContact O-CA 3.44Å
708	T	84.2	Confident	83.3	Confident	62 Å²	62	50.4 Å²	50.4	38%	0.38	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	152.5	165.4	52.5	0	0	0	0	110.3	M701 Q703	M701-T708 PolarHBondContact N-O 3.18Å; M701-T708 PolarHBondContact O-N 3.08Å; Q703-T708 HydrophobicContact CG-CG2 3.89Å; Q703-T708 PolarHBondContact NE2-OG1 2.97Å; Q703-T708 VanDerWaalsContact NE2-OG1 3.16Å
709	C	89.1	Confident	82.9	Confident	17 Å²	17	57 Å²	57	12%	0.115	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.3	178.5	-60.9	0	0	0	0	111.7	C694 C711 N719 C721	C694-C709 WeakPolarHBondContact CA-SG 3.41Å; C694-C709 HydrophobicContact CB-CB 3.8Å; C694-C709 WeakPolarHBondContact CB-SG 3.5Å; C694-C709 VanDerWaalsContact SG-CA 3.52Å; C694-C709 WeakPolarHBondContact SG-CB 3.34Å; C694-C709 CovalentContact SG-SG 2.03Å; C694-C709 PolarHBondContact SG-SG 3.28Å; C709-C711 PolarHBondContact O-N 2.56Å; C709-N719 WeakPolarHBondContact CB-O 3.33Å; C709-C721 VanDerWaalsContact CB-SG 3.51Å
710	D	92	Very high	82.8	Confident	37 Å²	37	58 Å²	58	20%	0.198	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	105.5	165	177.9	21.1	0	0	0	109.9	G698 V699 M701 S712	G698-D710 WeakPolarHBondContact CA-O 3.43Å; V699-D710 HydrophobicContact CB-CB 4.26Å; V699-D710 PolarHBondContact N-O 3.1Å; V699-D710 VanDerWaalsContact N-O 3.09Å; V699-D710 PolarHBondContact O-N 2.93Å; M701-D710 HydrophobicContact CE-CB 3.9Å; M701-D710 HydrophobicContact SD-CB 4.17Å; D710-S712 VanDerWaalsContact C-N 3.35Å; D710-S712 WeakPolarHBondContact OD1-CB 3.08Å; D710-S712 PolarHBondContact OD1-N 2.79Å; D710-S712 PolarHBondContact OD1-OG 3.16Å
711	C	94.1	Very high	82.9	Confident	13 Å²	13	56.4 Å²	56.4	9%	0.088	28%	0.284	C	S	.	.			trans	-87.8	2.5	177.6	-49.5	0	0	0	0	113.9	C709 M713 T714 Y716 G718 C721	C709-C711 PolarHBondContact O-N 2.56Å; C711-M713 PolarHBondContact O-N 3.26Å; C711-M713 VanDerWaalsContact O-N 3.14Å; C711-T714 PolarHBondContact O-N 2.87Å; C711-T714 PolarHBondContact O-OG1 3.13Å; C711-Y716 WeakPolarHBondContact CB-O 3.24Å; C711-G718 PolarHBondContact SG-O 2.86Å; C711-G718 VanDerWaalsContact SG-O 3.34Å; C711-C721 WeakPolarHBondContact CA-SG 3.45Å; C711-C721 HydrophobicContact CB-CB 3.83Å; C711-C721 WeakPolarHBondContact CB-SG 3.26Å; C711-C721 WeakPolarHBondContact SG-CA 3.37Å; C711-C721 WeakPolarHBondContact SG-CB 3.44Å; C711-C721 PolarHBondContact SG-N 2.78Å; C711-C721 VanDerWaalsContact SG-N 3.42Å; C711-C721 CovalentContact SG-SG 2.04Å; C711-C721 PolarHBondContact SG-SG 2.83Å
712	S	92.1	Very high	83.3	Confident	20 Å²	20	57 Å²	57	14%	0.14	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-36.6	-171.1	-60.8	0	0	0	0	113.5	D710 Y873	D710-S712 VanDerWaalsContact C-N 3.35Å; D710-S712 WeakPolarHBondContact OD1-CB 3.08Å; D710-S712 PolarHBondContact OD1-N 2.79Å; D710-S712 PolarHBondContact OD1-OG 3.16Å; S712-Y873 WeakPolarHBondContact O-CB 3.35Å; S712-Y873 VanDerWaalsContact O-CG 3.26Å
713	M	95.3	Very high	83.8	Confident	21 Å²	21	56.9 Å²	56.9	10%	0.103	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	13.1	179	-57.5	-60.7	-65.7	0	0	114.1	C711 R753 A755 R818 T820 Y873	C711-M713 PolarHBondContact O-N 3.26Å; C711-M713 VanDerWaalsContact O-N 3.14Å; M713-R753 HydrophobicContact SD-CB 4.08Å; M713-A755 HydrophobicContact CB-CB 4.44Å; M713-A755 HydrophobicContact CE-CB 4.01Å; M713-A755 HydrophobicContact SD-CB 4.11Å; M713-R818 HydrophobicContact CE-CB 3.9Å; M713-R818 HydrophobicContact CE-CG 4.31Å; M713-R818 WeakPolarHBondContact O-CD 2.97Å; M713-R818 PolarHBondContact O-NE 3.34Å; M713-T820 HydrophobicContact CE-CG2 4.33Å; M713-Y873 HydrophobicContact SD-CD1 4.12Å; M713-Y873 HydrophobicContact SD-CE1 4.18Å
714	T	93.7	Very high	84.7	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-19.9	-171.5	72.1	0	0	0	0	114.8	N696 G698 C711 Y716 C721	N696-T714 WeakPolarHBondContact O-CB 3.39Å; N696-T714 WeakPolarHBondContact O-CG2 3.43Å; G698-T714 VanDerWaalsContact CA-CG2 3.48Å; C711-T714 PolarHBondContact O-N 2.87Å; C711-T714 PolarHBondContact O-OG1 3.13Å; T714-Y716 WeakPolarHBondContact O-CD2 3.36Å; T714-Y716 PolarHBondContact O-N 3.16Å; T714-Y716 PolarHBondContact OG1-N 3.17Å; T714-Y716 PolarHBondContact OG1-O 2.96Å; T714-C721 HydrophobicContact CG2-CB 4.22Å
715	S	94.8	Very high	86.6	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.014	28%	0.275	C	S	.	.	S	Bend	trans	67	-0.7	-162.1	80	0	0	0	0	116.1	G757 Y814 V816	S715-G757 VanDerWaalsContact CB-N 3.27Å; S715-Y814 PolarHBondContact OG-OH 2.83Å; S715-V816 VanDerWaalsContact OG-CG2 3.31Å; S715-V816 WeakPolarHBondContact OG-CG2 3.3Å
716	Y	92.7	Very high	88.8	Confident	61 Å²	61	43.3 Å²	43.3	24%	0.239	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	172.7	176.2	-64.6	-89.8	0	0	0	111.1	N696 C711 T714 C721 D723 Y814 V816	N696-Y716 HydrophobicContact CB-CD2 3.4Å; N696-Y716 HydrophobicContact CB-CE2 3.64Å; N696-Y716 HydrophobicContact CB-CG 4.21Å; N696-Y716 VanDerWaalsContact CG-CD2 3.42Å; N696-Y716 WeakPolarHBondContact OD1-CE2 3.33Å; C711-Y716 WeakPolarHBondContact CB-O 3.24Å; T714-Y716 WeakPolarHBondContact O-CD2 3.36Å; T714-Y716 PolarHBondContact O-N 3.16Å; T714-Y716 PolarHBondContact OG1-N 3.17Å; T714-Y716 PolarHBondContact OG1-O 2.96Å; Y716-C721 WeakPolarHBondContact CB-O 3.22Å; Y716-D723 CarbonylContact C-O 3.34Å; Y716-D723 WeakPolarHBondContact CA-O 3.26Å; Y716-D723 WeakPolarHBondContact CB-O 3.37Å; Y716-Y814 HydrophobicContact CE2-CE1 4.29Å; Y716-V816 HydrophobicContact CE2-CG2 4.47Å
717	S	89.6	Confident	90.1	Very high	38 Å²	38	43.9 Å²	43.9	27%	0.266	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	-167.6	179.4	73.9	0	0	0	0	111	C721 N722 D723 P724	S717-C721 CarbonylContact O-C 3.49Å; S717-C721 VanDerWaalsContact O-CA 3.23Å; S717-C721 WeakPolarHBondContact O-CA 3.37Å; S717-N722 PolarHBondContact O-N 2.78Å; S717-D723 PolarHBondContact N-O 2.74Å; S717-D723 PolarHBondContact O-N 2.85Å; S717-P724 PolarHBondContact OG-O 2.96Å
718	G	84.4	Confident	91	Very high	28 Å²	28	42.7 Å²	42.7	29%	0.289	25%	0.246	S	C	.	.	S	Bend	trans	79.5	171.6	-174	0	0	0	0	0	114	C711 Q720 C721 D723	C711-G718 PolarHBondContact SG-O 2.86Å; C711-G718 VanDerWaalsContact SG-O 3.34Å; G718-Q720 PolarHBondContact O-N 2.89Å; G718-C721 PolarHBondContact O-N 2.83Å; G718-D723 WeakPolarHBondContact CA-OD2 3.48Å
719	N	82.6	Confident	91.6	Very high	150 Å²	150	41.5 Å²	41.5	80%	0.802	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.9	-172.3	-64.2	-13.1	0	0	0	114.1	C709	C709-N719 WeakPolarHBondContact CB-O 3.33Å
720	Q	89	Confident	91.9	Very high	104 Å²	104	40.8 Å²	40.8	49%	0.486	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	13.3	-179.1	-70.4	-179.8	-24.9	0	0	113.2	A695 G718 N722	A695-Q720 WeakPolarHBondContact CB-O 3.4Å; A695-Q720 PolarHBondContact N-O 3.37Å; G718-Q720 PolarHBondContact O-N 2.89Å; Q720-N722 VanDerWaalsContact C-N 3.27Å; Q720-N722 PolarHBondContact O-N 2.87Å
721	C	91.4	Very high	91.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	58.8	32.5	-177.6	-44.5	0	0	0	0	114.7	A695 N696 C709 C711 T714 Y716 S717 G718	A695-C721 WeakPolarHBondContact O-CB 3.44Å; N696-C721 PolarHBondContact ND2-O 2.67Å; C709-C721 VanDerWaalsContact CB-SG 3.51Å; C711-C721 WeakPolarHBondContact CA-SG 3.45Å; C711-C721 HydrophobicContact CB-CB 3.83Å; C711-C721 WeakPolarHBondContact CB-SG 3.26Å; C711-C721 WeakPolarHBondContact SG-CA 3.37Å; C711-C721 WeakPolarHBondContact SG-CB 3.44Å; C711-C721 PolarHBondContact SG-N 2.78Å; C711-C721 VanDerWaalsContact SG-N 3.42Å; C711-C721 CovalentContact SG-SG 2.04Å; C711-C721 PolarHBondContact SG-SG 2.83Å; T714-C721 HydrophobicContact CG2-CB 4.22Å; Y716-C721 WeakPolarHBondContact CB-O 3.22Å; S717-C721 CarbonylContact O-C 3.49Å; S717-C721 VanDerWaalsContact O-CA 3.23Å; S717-C721 WeakPolarHBondContact O-CA 3.37Å; G718-C721 PolarHBondContact O-N 2.83Å
722	N	90.9	Very high	91.6	Very high	93 Å²	93	47.7 Å²	47.7	50%	0.497	26%	0.264	S	S	.	.			trans	-102.8	-21.2	177.3	-89	-44.9	0	0	0	113.5	A695 S717 Q720	A695-N722 VanDerWaalsContact CB-CG 3.44Å; A695-N722 WeakPolarHBondContact CB-OD1 3.43Å; S717-N722 PolarHBondContact O-N 2.78Å; Q720-N722 VanDerWaalsContact C-N 3.27Å; Q720-N722 PolarHBondContact O-N 2.87Å
723	D	89.6	Confident	91.3	Very high	89 Å²	89	50.9 Å²	50.9	48%	0.476	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	142.8	-175.6	-59.1	-30.8	0	0	0	109.9	Y716 S717 G718 G725	Y716-D723 CarbonylContact C-O 3.34Å; Y716-D723 WeakPolarHBondContact CA-O 3.26Å; Y716-D723 WeakPolarHBondContact CB-O 3.37Å; S717-D723 PolarHBondContact N-O 2.74Å; S717-D723 PolarHBondContact O-N 2.85Å; G718-D723 WeakPolarHBondContact CA-OD2 3.48Å; D723-G725 PolarHBondContact O-N 3.12Å
724	P	87	Confident	90.9	Very high	101 Å²	101	49.9 Å²	49.9	66%	0.656	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	140	179.8	25.2	-33.9	0	0	0	111.7	S717	S717-P724 PolarHBondContact OG-O 2.96Å
725	G	90.3	Very high	90.8	Very high	8 Å²	8	49.9 Å²	49.9	8%	0.082	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-71.8	163.4	171.2	0	0	0	0	0	112.6	D723 T727	D723-G725 PolarHBondContact O-N 3.12Å; G725-T727 PolarHBondContact O-N 2.86Å; G725-T727 VanDerWaalsContact O-N 3.08Å; G725-T727 PolarHBondContact O-OG1 3.1Å
726	A	94.3	Very high	90.9	Very high	20 Å²	20	50.9 Å²	50.9	17%	0.165	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-57.6	117.7	174.3	0	0	0	0	0	110	S870 G871 L880 N881	A726-S870 WeakPolarHBondContact O-CA 3.39Å; A726-G871 PolarHBondContact O-N 2.8Å; A726-G871 VanDerWaalsContact O-N 3.1Å; A726-L880 HydrophobicContact CB-CB 4.2Å; A726-N881 HydrophobicContact CB-CB 4.45Å; A726-N881 VanDerWaalsContact CB-OD1 3.26Å; A726-N881 WeakPolarHBondContact CB-OD1 3.41Å
727	T	96.8	Very high	91.1	Very high	21 Å²	21	48 Å²	48	13%	0.129	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.1	-168.4	-59.3	0	0	0	0	111.6	G725 Q868 L869 S870 V899	G725-T727 PolarHBondContact O-N 2.86Å; G725-T727 VanDerWaalsContact O-N 3.08Å; G725-T727 PolarHBondContact O-OG1 3.1Å; T727-Q868 HydrophobicContact CG2-CB 4.27Å; T727-L869 CarbonylContact C-O 3.54Å; T727-L869 WeakPolarHBondContact CA-O 3.32Å; T727-S870 WeakPolarHBondContact OG1-CB 3.26Å; T727-S870 PolarHBondContact OG1-OG 3.03Å; T727-V899 HydrophobicContact CG2-CB 4.42Å; T727-V899 HydrophobicContact CG2-CG2 3.69Å; T727-V899 WeakPolarHBondContact O-CG2 2.77Å; T727-V899 PolarHBondContact O-N 3.43Å
728	Y	97.3	Very high	91.5	Very high	10 Å²	10	47.9 Å²	47.9	4%	0.039	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	140.7	177.5	-80.4	-90.5	0	0	0	112.1	I737 Q868 L869 L880 A883 A884 I892 V896 R897 L898	Y728-I737 HydrophobicContact CD1-CD1 4.08Å; Y728-I737 HydrophobicContact CD2-CD1 4.12Å; Y728-I737 HydrophobicContact CE1-CD1 4.35Å; Y728-I737 HydrophobicContact CE2-CD1 4.38Å; Y728-I737 HydrophobicContact CG-CD1 3.92Å; Y728-Q868 WeakPolarHBondContact O-CA 3.49Å; Y728-L869 PolarHBondContact N-O 3.02Å; Y728-L869 PolarHBondContact O-N 2.97Å; Y728-L880 HydrophobicContact CD2-CB 4.17Å; Y728-L880 HydrophobicContact CD2-CD1 4.49Å; Y728-L880 HydrophobicContact CD2-CD2 3.75Å; Y728-L880 HydrophobicContact CD2-CG 4.32Å; Y728-L880 HydrophobicContact CE2-CB 4.31Å; Y728-L880 HydrophobicContact CE2-CD2 4.28Å; Y728-L880 WeakPolarHBondContact CE2-O 3.31Å; Y728-L880 HydrophobicContact CG-CD2 4.46Å; Y728-A883 HydrophobicContact CE2-CB 4.05Å; Y728-A883 PolarHBondContact OH-O 3.09Å; Y728-A884 VanDerWaalsContact OH-CA 3.28Å; Y728-A884 WeakPolarHBondContact OH-CA 3.42Å; Y728-A884 PolarHBondContact OH-N 2.9Å; Y728-I892 HydrophobicContact CE1-CD1 4.16Å; Y728-V896 HydrophobicContact CD1-CG1 3.5Å; Y728-V896 HydrophobicContact CE1-CG1 4.19Å; Y728-V896 HydrophobicContact CG-CG1 4.24Å; Y728-R897 WeakPolarHBondContact CA-O 3.36Å; Y728-R897 WeakPolarHBondContact CD1-O 3.37Å; Y728-L898 HydrophobicContact CD1-CB 4.35Å; Y728-L898 HydrophobicContact CD1-CD1 4.49Å; Y728-L898 HydrophobicContact CD2-CD1 4.11Å; Y728-L898 HydrophobicContact CE1-CB 3.93Å; Y728-L898 HydrophobicContact CE1-CD1 4.1Å; Y728-L898 HydrophobicContact CE2-CD1 3.68Å
729	I	96.4	Very high	92.2	Very high	37 Å²	37	47.3 Å²	47.3	19%	0.19	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121.1	177.9	-63.3	178.2	0	0	0	109.6	Q868 V896 R897 V899	I729-Q868 HydrophobicContact CG1-CG 4.06Å; I729-V896 WeakPolarHBondContact O-CA 3.04Å; I729-R897 HydrophobicContact CB-CG 4.02Å; I729-R897 PolarHBondContact N-O 3.03Å; I729-R897 PolarHBondContact O-N 2.87Å; I729-R897 VanDerWaalsContact O-N 3.08Å; I729-V899 HydrophobicContact CD1-CG2 3.62Å; I729-V899 HydrophobicContact CG1-CG2 3.67Å
730	F	96.6	Very high	92.9	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.009	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.4	177.5	-71	-104.1	0	0	0	109.6	I737 I856 F865 Q866 G867 L869 S895 V896	F730-I737 HydrophobicContact CZ-CD1 3.99Å; F730-I737 HydrophobicContact CZ-CG1 4.08Å; F730-I856 WeakPolarHBondContact CE1-O 3.46Å; F730-I856 HydrophobicContact CE2-CG2 4.48Å; F730-I856 HydrophobicContact CZ-CG2 3.83Å; F730-F865 HydrophobicContact CB-CD1 4.04Å; F730-F865 HydrophobicContact CD2-CD1 4.3Å; F730-F865 HydrophobicContact CG-CD1 4.14Å; F730-Q866 WeakPolarHBondContact O-CA 3.36Å; F730-Q866 WeakPolarHBondContact O-CG 3.33Å; F730-G867 PolarHBondContact N-O 2.73Å; F730-G867 PolarHBondContact O-N 3.01Å; F730-G867 VanDerWaalsContact O-N 3.08Å; F730-L869 HydrophobicContact CD2-CD1 4.25Å; F730-L869 HydrophobicContact CD2-CG 4.27Å; F730-L869 HydrophobicContact CE2-CB 4.17Å; F730-L869 HydrophobicContact CE2-CD1 3.77Å; F730-L869 HydrophobicContact CE2-CG 4.08Å; F730-L869 HydrophobicContact CZ-CD1 4.15Å; F730-S895 WeakPolarHBondContact CA-O 3.33Å; F730-V896 HydrophobicContact CD1-CG2 3.91Å; F730-V896 HydrophobicContact CE1-CG2 3.71Å; F730-V896 HydrophobicContact CZ-CG1 4.36Å; F730-V896 HydrophobicContact CZ-CG2 4.29Å
731	G	91.8	Very high	93.3	Very high	17 Å²	17	38.3 Å²	38.3	18%	0.175	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	172.6	-174.6	0	0	0	0	0	114.9	S733 G734 S895	G731-S733 PolarHBondContact O-N 2.98Å; G731-G734 PolarHBondContact O-N 2.73Å; G731-S895 WeakPolarHBondContact CA-OG 3.05Å; G731-S895 PolarHBondContact N-O 2.85Å
732	K	88	Confident	93.5	Very high	179 Å²	179	40.4 Å²	40.4	78%	0.778	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-55.7	-27.6	-170.3	-68.1	-174.8	176	-176.9	0	115.8	G734	K732-G734 VanDerWaalsContact C-N 3.3Å
733	S	86.1	Confident	93.4	Very high	87 Å²	87	39.4 Å²	39.4	61%	0.608	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	9.4	179.6	53.5	0	0	0	0	114.1	G731 S895	G731-S733 PolarHBondContact O-N 2.98Å; S733-S895 VanDerWaalsContact OG-CB 3.3Å; S733-S895 WeakPolarHBondContact OG-CB 3.45Å
734	G	85.9	Confident	93.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.8	134.6	175.6	0	0	0	0	0	113.2	G731 K732 K859 S895	G731-G734 PolarHBondContact O-N 2.73Å; K732-G734 VanDerWaalsContact C-N 3.3Å; G734-K859 PolarHBondContact O-NZ 2.6Å; G734-S895 PolarHBondContact O-N 3.17Å
735	G	92.3	Very high	93.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	156.3	178	0	0	0	0	0	112.2	K859 N893	G735-K859 WeakPolarHBondContact O-CB 3.39Å; G735-N893 CarbonylContact C-O 3.55Å
736	L	96.4	Very high	93.9	Very high	24 Å²	24	46.2 Å²	46.2	13%	0.126	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	124.7	173.1	-170.2	63	0	0	0	109.3	L738 A855 I856 K859 D860 I892 N893	L736-L738 HydrophobicContact CG-CB 4.42Å; L736-A855 HydrophobicContact CD1-CB 4.1Å; L736-I856 VanDerWaalsContact CA-O 3.32Å; L736-I856 WeakPolarHBondContact CA-O 3.27Å; L736-K859 HydrophobicContact CB-CB 4.19Å; L736-K859 HydrophobicContact CB-CD 4.44Å; L736-D860 HydrophobicContact CD1-CB 4.28Å; L736-D860 HydrophobicContact CD2-CB 4.13Å; L736-I892 CarbonylContact O-C 3.53Å; L736-I892 WeakPolarHBondContact O-CA 3.44Å; L736-N893 PolarHBondContact N-O 2.97Å; L736-N893 PolarHBondContact O-N 2.84Å
737	I	97.6	Very high	93.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.1	158.1	-54.9	176	0	0	0	105.9	Y728 F730 I856 L880 A883 I890 I892 V896	Y728-I737 HydrophobicContact CD1-CD1 4.08Å; Y728-I737 HydrophobicContact CD2-CD1 4.12Å; Y728-I737 HydrophobicContact CE1-CD1 4.35Å; Y728-I737 HydrophobicContact CE2-CD1 4.38Å; Y728-I737 HydrophobicContact CG-CD1 3.92Å; F730-I737 HydrophobicContact CZ-CD1 3.99Å; F730-I737 HydrophobicContact CZ-CG1 4.08Å; I737-I856 HydrophobicContact CB-CB 4.14Å; I737-I856 HydrophobicContact CB-CD1 4.1Å; I737-I856 HydrophobicContact CG2-CD1 4.13Å; I737-I856 PolarHBondContact N-O 3.22Å; I737-I856 PolarHBondContact O-N 3Å; I737-L880 HydrophobicContact CD1-CD2 3.61Å; I737-A883 HydrophobicContact CG2-CB 4.17Å; I737-I890 HydrophobicContact CG2-CG2 3.63Å; I737-I892 HydrophobicContact CG1-CG1 4.18Å; I737-I892 HydrophobicContact CG1-CG2 4.27Å; I737-I892 HydrophobicContact CG2-CG1 4.28Å; I737-V896 HydrophobicContact CD1-CG1 3.97Å; I737-V896 HydrophobicContact CG1-CG1 4Å
738	L	97.7	Very high	93.9	Very high	35 Å²	35	49.4 Å²	49.4	18%	0.183	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	112.1	-177.9	-176.9	70.3	0	0	0	109.7	L736 Q853 I854 A855 I890 K891	L736-L738 HydrophobicContact CG-CB 4.42Å; L738-Q853 HydrophobicContact CD1-CB 4.08Å; L738-Q853 HydrophobicContact CD1-CG 4.45Å; L738-I854 WeakPolarHBondContact CA-O 3.24Å; L738-A855 HydrophobicContact CD1-CB 3.97Å; L738-I890 CarbonylContact O-C 3.52Å; L738-I890 WeakPolarHBondContact O-CA 3.46Å; L738-K891 PolarHBondContact N-O 3.11Å; L738-K891 PolarHBondContact O-N 3.14Å
739	Y	97.9	Very high	93.8	Very high	16 Å²	16	50 Å²	50	6%	0.063	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	139.2	164.9	176.7	-104.1	0	0	0	109.6	W741 Q853 I854 L877 M882 N889 I890	Y739-W741 HydrophobicContact CD1-CD2 4.18Å; Y739-W741 HydrophobicContact CD1-CE3 4.16Å; Y739-W741 HydrophobicContact CD1-CZ3 4.45Å; Y739-W741 AromaticContact CE1-CD2 3.58Å; Y739-W741 HydrophobicContact CE1-CD2 3.58Å; Y739-W741 AromaticContact CE1-CE2 3.67Å; Y739-W741 HydrophobicContact CE1-CE3 4.03Å; Y739-W741 AromaticContact CE1-CG 3.83Å; Y739-W741 HydrophobicContact CE1-CG 3.83Å; Y739-W741 HydrophobicContact CE1-CZ2 4.23Å; Y739-W741 AromaticContact CE1-NE1 3.88Å; Y739-Q853 CarbonylContact O-C 3.29Å; Y739-Q853 VanDerWaalsContact O-CA 3.28Å; Y739-Q853 WeakPolarHBondContact O-CA 3.34Å; Y739-I854 HydrophobicContact CD1-CD1 3.97Å; Y739-I854 HydrophobicContact CD1-CG1 4.12Å; Y739-I854 PolarHBondContact N-O 3.07Å; Y739-I854 PolarHBondContact O-N 2.83Å; Y739-L877 HydrophobicContact CD1-CD1 4.35Å; Y739-L877 HydrophobicContact CE1-CD1 3.71Å; Y739-M882 HydrophobicContact CD2-CE 4.18Å; Y739-M882 HydrophobicContact CE2-CE 3.6Å; Y739-N889 WeakPolarHBondContact CA-O 3.44Å; Y739-N889 HydrophobicContact CD2-CB 3.9Å; Y739-N889 HydrophobicContact CE2-CB 3.61Å; Y739-I890 HydrophobicContact CD2-CD1 4.25Å; Y739-I890 HydrophobicContact CD2-CG1 3.68Å; Y739-I890 HydrophobicContact CG-CG1 4.39Å
740	T	97.6	Very high	93.6	Very high	46 Å²	46	56 Å²	56	28%	0.282	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.8	176.2	-59.7	0	0	0	0	109.6	Q853 N889	T740-Q853 HydrophobicContact CG2-CG 4.13Å; T740-Q853 PolarHBondContact OG1-NE2 3.11Å; T740-N889 PolarHBondContact N-O 3.25Å; T740-N889 WeakPolarHBondContact O-CB 3.13Å
741	W	97.3	Very high	93.5	Very high	19 Å²	19	59.2 Å²	59.2	7%	0.072	33%	0.326	C	S	.	.			trans	-67.2	138.6	173.4	-79.4	-92.8	0	0	0	110.8	Y739 D745 R746 P747 I770 Q851 A852 I854 Y874 L877	Y739-W741 HydrophobicContact CD1-CD2 4.18Å; Y739-W741 HydrophobicContact CD1-CE3 4.16Å; Y739-W741 HydrophobicContact CD1-CZ3 4.45Å; Y739-W741 AromaticContact CE1-CD2 3.58Å; Y739-W741 HydrophobicContact CE1-CD2 3.58Å; Y739-W741 AromaticContact CE1-CE2 3.67Å; Y739-W741 HydrophobicContact CE1-CE3 4.03Å; Y739-W741 AromaticContact CE1-CG 3.83Å; Y739-W741 HydrophobicContact CE1-CG 3.83Å; Y739-W741 HydrophobicContact CE1-CZ2 4.23Å; Y739-W741 AromaticContact CE1-NE1 3.88Å; W741-D745 VanDerWaalsContact CD1-O 3.26Å; W741-R746 HydrophobicContact CB-CG 3.93Å; W741-P747 HydrophobicContact CZ2-CG 3.91Å; W741-I770 HydrophobicContact CH2-CG2 4.18Å; W741-I770 HydrophobicContact CZ3-CG2 4.1Å; W741-Q851 HydrophobicContact CE3-CB 4.43Å; W741-Q851 HydrophobicContact CH2-CB 4.13Å; W741-Q851 HydrophobicContact CZ3-CB 3.99Å; W741-A852 PolarHBondContact N-O 2.89Å; W741-I854 HydrophobicContact CH2-CD1 3.6Å; W741-I854 HydrophobicContact CH2-CG1 3.47Å; W741-I854 VanDerWaalsContact CH2-CG1 3.47Å; W741-I854 HydrophobicContact CZ2-CD1 4.16Å; W741-I854 HydrophobicContact CZ2-CG1 4.44Å; W741-I854 HydrophobicContact CZ3-CD1 4.11Å; W741-I854 HydrophobicContact CZ3-CG1 3.5Å; W741-Y874 HydrophobicContact CH2-CD1 4.21Å; W741-Y874 AromaticContact CH2-CE1 3.87Å; W741-Y874 HydrophobicContact CH2-CE1 3.87Å; W741-Y874 HydrophobicContact CZ2-CD1 4.48Å; W741-Y874 HydrophobicContact CZ2-CE1 4.29Å; W741-L877 HydrophobicContact CZ2-CD1 3.69Å
742	P	95.3	Very high	93.8	Very high	45 Å²	45	58.4 Å²	58.4	29%	0.292	32%	0.317	S	S	.	.			trans	-53	148.9	163.6	-23.6	34.3	0	0	0	110.8	N744 D745 R746	P742-N744 PolarHBondContact O-N 3.3Å; P742-N744 VanDerWaalsContact O-N 3.13Å; P742-D745 HydrophobicContact CB-CB 4.31Å; P742-D745 VanDerWaalsContact CB-OD2 3.32Å; P742-D745 WeakPolarHBondContact CB-OD2 3.2Å; P742-D745 HydrophobicContact CG-CB 4.5Å; P742-D745 VanDerWaalsContact CG-OD2 3.32Å; P742-D745 WeakPolarHBondContact CG-OD2 3.37Å; P742-D745 PolarHBondContact O-N 2.78Å; P742-R746 WeakPolarHBondContact O-CG 3.49Å
743	A	90.1	Very high	94.2	Very high	71 Å²	71	54.6 Å²	54.6	59%	0.587	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-31.8	-169.2	0	0	0	0	0	114.2
744	N	90.1	Very high	94.8	Very high	158 Å²	158	50.5 Å²	50.5	85%	0.845	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-16.1	-179	-60.4	-8.3	0	0	0	113.2	P742	P742-N744 PolarHBondContact O-N 3.3Å; P742-N744 VanDerWaalsContact O-N 3.13Å
745	D	90.6	Very high	95.3	Very high	104 Å²	104	50.5 Å²	50.5	56%	0.556	27%	0.269	S	S	*	.			trans	-105.7	13.3	-170.9	-52.1	-24.8	0	0	0	112	W741 P742 P747	W741-D745 VanDerWaalsContact CD1-O 3.26Å; P742-D745 HydrophobicContact CB-CB 4.31Å; P742-D745 VanDerWaalsContact CB-OD2 3.32Å; P742-D745 WeakPolarHBondContact CB-OD2 3.2Å; P742-D745 HydrophobicContact CG-CB 4.5Å; P742-D745 VanDerWaalsContact CG-OD2 3.32Å; P742-D745 WeakPolarHBondContact CG-OD2 3.37Å; P742-D745 PolarHBondContact O-N 2.78Å; D745-P747 VanDerWaalsContact O-CD 3.31Å; D745-P747 WeakPolarHBondContact O-CD 3.43Å
746	R	95.6	Very high	95.6	Very high	80 Å²	80	50.5 Å²	50.5	30%	0.302	27%	0.269	S	S	.	.			trans	-72.8	113.5	-177.4	-68.3	-170.5	-179.6	158.7	1	110.4	W741 P742 T850 Q851	W741-R746 HydrophobicContact CB-CG 3.93Å; P742-R746 WeakPolarHBondContact O-CG 3.49Å; R746-T850 HydrophobicContact CB-CG2 3.81Å; R746-T850 HydrophobicContact CG-CG2 4.43Å; R746-Q851 VanDerWaalsContact CB-O 3.26Å; R746-Q851 WeakPolarHBondContact CB-O 3.43Å; R746-Q851 VanDerWaalsContact CG-O 3.31Å; R746-Q851 WeakPolarHBondContact CG-O 3.41Å
747	P	95	Very high	95.7	Very high	39 Å²	39	49.3 Å²	49.3	25%	0.253	26%	0.263	S	S	.	.			trans	-74	149.5	-176.3	31.3	-34.7	0	0	0	111.3	W741 D745 T749 T850 Q851	W741-P747 HydrophobicContact CZ2-CG 3.91Å; D745-P747 VanDerWaalsContact O-CD 3.31Å; D745-P747 WeakPolarHBondContact O-CD 3.43Å; P747-T749 HydrophobicContact CB-CG2 4.22Å; P747-T850 WeakPolarHBondContact O-CA 3.22Å; P747-T850 PolarHBondContact O-N 2.82Å; P747-Q851 HydrophobicContact CG-CB 4.02Å; P747-Q851 HydrophobicContact CG-CG 4.28Å; P747-Q851 WeakPolarHBondContact O-CG 3.16Å; P747-Q851 PolarHBondContact O-N 3.39Å
748	S	95.9	Very high	95.7	Very high	68 Å²	68	49.3 Å²	49.3	48%	0.476	26%	0.263	S	S	.	.			trans	-120.8	118.8	164.6	-69.5	0	0	0	0	108	F848 T850	S748-F848 CarbonylContact C-O 3.47Å; S748-F848 VanDerWaalsContact CA-O 3.27Å; S748-F848 WeakPolarHBondContact CA-O 3.39Å; S748-T850 PolarHBondContact OG-N 2.76Å
749	T	95.1	Very high	95.7	Very high	23 Å²	23	48.3 Å²	48.3	14%	0.141	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-123.4	134.4	-164.3	53.8	0	0	0	0	112.4	P747 D752 R821 I847 F848 Q851	P747-T749 HydrophobicContact CB-CG2 4.22Å; T749-D752 VanDerWaalsContact CB-OD1 3.24Å; T749-D752 WeakPolarHBondContact CB-OD1 3.18Å; T749-D752 PolarHBondContact OG1-OD1 3.11Å; T749-R821 PolarHBondContact O-NH2 2.85Å; T749-R821 PolarHBondContact OG1-NH2 3.01Å; T749-I847 CarbonylContact O-C 3.58Å; T749-I847 WeakPolarHBondContact O-CA 3.44Å; T749-F848 PolarHBondContact N-O 2.83Å; T749-F848 PolarHBondContact O-N 2.87Å; T749-Q851 PolarHBondContact OG1-NE2 3.09Å
750	R	93.6	Very high	95.6	Very high	163 Å²	163	47.8 Å²	47.8	62%	0.615	26%	0.258	S	S	*	.	S	Bend	trans	-79	-27.5	168.9	-176.4	173.7	173.9	173.4	0.5	112.5	R821 G823 T846	R750-R821 PolarHBondContact O-NH1 2.88Å; R750-R821 VanDerWaalsContact O-NH1 3.13Å; R750-G823 PolarHBondContact O-N 3.28Å; R750-T846 WeakPolarHBondContact CA-O 3.16Å
751	S	94.2	Very high	95.5	Very high	69 Å²	69	50.2 Å²	50.2	48%	0.483	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	139.1	-177.1	55.9	0	0	0	0	110.6	R821	S751-R821 CarbonylContact C-O 3.51Å; S751-R821 WeakPolarHBondContact CA-O 3.23Å; S751-R821 WeakPolarHBondContact CB-O 3.29Å
752	D	96.6	Very high	95.4	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	151.3	179.5	-46	-26.1	0	0	0	110.2	T749 L780 T820 R821 Y874 D875	T749-D752 VanDerWaalsContact CB-OD1 3.24Å; T749-D752 WeakPolarHBondContact CB-OD1 3.18Å; T749-D752 PolarHBondContact OG1-OD1 3.11Å; D752-L780 HydrophobicContact CB-CD1 4.28Å; D752-T820 CarbonylContact O-C 3.59Å; D752-T820 VanDerWaalsContact O-CA 3.29Å; D752-T820 WeakPolarHBondContact O-CA 3.3Å; D752-R821 HydrophobicContact CB-CB 4.3Å; D752-R821 PolarHBondContact N-O 3.18Å; D752-R821 VanDerWaalsContact N-O 3.09Å; D752-R821 PolarHBondContact O-N 3.42Å; D752-R821 IonicContact OD1-CZ 2.79Å; D752-R821 IonicContact OD1-NE 3.75Å; D752-R821 IonicContact OD1-NH2 3.74Å; D752-R821 PolarHBondContact OD1-NH2 3.38Å; D752-R821 IonicContact OD2-CZ 3.82Å; D752-R821 VanDerWaalsContact OD2-CZ 3.31Å; D752-R821 IonicContact OD2-NE 2.75Å; D752-R821 PolarHBondContact OD2-NE 3Å; D752-R821 IonicContact OD2-NH2 3.98Å; D752-R821 PolarHBondContact OD2-NH2 3.47Å; D752-Y874 HydrophobicContact CB-CE2 4.25Å; D752-D875 WeakPolarHBondContact CA-OD1 3.49Å; D752-D875 WeakPolarHBondContact CA-OD2 3.39Å; D752-D875 WeakPolarHBondContact CB-OD2 3.47Å
753	R	97.2	Very high	95.3	Very high	99 Å²	99	55 Å²	55	37%	0.374	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	118.4	174	-66.4	175.8	65.9	-171	0.8	109.4	M713 T820 Y873 Y874 D875	M713-R753 HydrophobicContact SD-CB 4.08Å; R753-T820 HydrophobicContact CG-CG2 4.14Å; R753-Y873 HydrophobicContact CB-CE1 4.12Å; R753-Y874 WeakPolarHBondContact O-CA 3.29Å; R753-D875 PolarHBondContact N-OD1 3.44Å; R753-D875 PolarHBondContact O-N 3.17Å; R753-D875 VanDerWaalsContact O-N 3.09Å
754	L	98.1	Very high	95.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.2	177.9	-172.2	153.2	0	0	0	109.8	V756 V768 I770 L780 L782 F819 L872 Y873 Y874	L754-V756 HydrophobicContact CD2-CG1 4.37Å; L754-V768 HydrophobicContact CD1-CB 4.5Å; L754-V768 HydrophobicContact CD1-CG1 4.19Å; L754-I770 HydrophobicContact CD1-CD1 3.98Å; L754-L780 HydrophobicContact CD1-CD2 4.02Å; L754-L782 HydrophobicContact CD2-CD2 3.88Å; L754-F819 HydrophobicContact CB-CB 4.37Å; L754-F819 HydrophobicContact CB-CD1 4.38Å; L754-F819 PolarHBondContact N-O 3.32Å; L754-F819 PolarHBondContact O-N 3.48Å; L754-L872 HydrophobicContact CG-CD1 4.41Å; L754-Y873 WeakPolarHBondContact CA-O 3.46Å; L754-Y874 HydrophobicContact CB-CD2 4Å; L754-Y874 HydrophobicContact CD1-CD2 3.95Å; L754-Y874 HydrophobicContact CD1-CE2 4.5Å; L754-Y874 HydrophobicContact CG-CD2 4.21Å
755	A	97.9	Very high	95.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	140.2	168.8	0	0	0	0	0	111	M713 V817 R818 L872 Y873	M713-A755 HydrophobicContact CB-CB 4.44Å; M713-A755 HydrophobicContact CE-CB 4.01Å; M713-A755 HydrophobicContact SD-CB 4.11Å; A755-V817 VanDerWaalsContact CA-O 3.31Å; A755-V817 WeakPolarHBondContact CA-O 3.3Å; A755-R818 HydrophobicContact CB-CG 4.5Å; A755-L872 WeakPolarHBondContact O-CA 3.5Å; A755-Y873 PolarHBondContact N-O 2.94Å; A755-Y873 PolarHBondContact O-N 3.32Å
756	V	98	Very high	96.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	138.8	174.5	67.2	0	0	0	0	111.2	L754 L782 V817 L869 L872	L754-V756 HydrophobicContact CD2-CG1 4.37Å; V756-L782 HydrophobicContact CG1-CD2 3.39Å; V756-V817 HydrophobicContact CG1-CG1 3.63Å; V756-V817 PolarHBondContact N-O 3.16Å; V756-V817 PolarHBondContact O-N 3.07Å; V756-L869 HydrophobicContact CG2-CB 4.47Å; V756-L869 HydrophobicContact CG2-CD2 4.35Å; V756-L872 HydrophobicContact CB-CB 4.48Å; V756-L872 HydrophobicContact CB-CD1 3.87Å; V756-L872 HydrophobicContact CG2-CB 4.01Å; V756-L872 HydrophobicContact CG2-CD1 4.14Å
757	G	97.8	Very high	96.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	138.9	168.5	0	0	0	0	0	110.2	S715 H815 L869 S870	S715-G757 VanDerWaalsContact CB-N 3.27Å; G757-H815 CarbonylContact C-O 3.58Å; G757-H815 VanDerWaalsContact CA-O 3.29Å; G757-H815 WeakPolarHBondContact CA-O 3.37Å; G757-L869 CarbonylContact O-C 3.59Å; G757-L869 WeakPolarHBondContact O-CA 3.46Å; G757-S870 PolarHBondContact N-O 3.02Å; G757-S870 PolarHBondContact O-N 3.33Å
758	F	98.1	Very high	96.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	155.4	-179.2	68.4	-82.7	0	0	0	112.6	T760 L767 I784 I789 V809 Y814 H815 V817 F865 Q868 L869	F758-T760 HydrophobicContact CD2-CG2 4.32Å; F758-L767 HydrophobicContact CB-CD2 4.03Å; F758-L767 HydrophobicContact CD1-CD2 4.05Å; F758-L767 HydrophobicContact CD2-CD2 4.18Å; F758-L767 HydrophobicContact CG-CD2 3.81Å; F758-I784 HydrophobicContact CD2-CD1 4.18Å; F758-I784 HydrophobicContact CE2-CD1 3.83Å; F758-I789 HydrophobicContact CE1-CD1 4.32Å; F758-I789 HydrophobicContact CZ-CD1 4.13Å; F758-I789 HydrophobicContact CZ-CG1 4.41Å; F758-V809 HydrophobicContact CE2-CB 3.92Å; F758-V809 HydrophobicContact CE2-CG2 3.74Å; F758-V809 HydrophobicContact CZ-CB 3.85Å; F758-V809 HydrophobicContact CZ-CG1 4.33Å; F758-V809 HydrophobicContact CZ-CG2 3.76Å; F758-Y814 WeakPolarHBondContact O-CA 3.35Å; F758-H815 HydrophobicContact CD1-CB 4.4Å; F758-H815 HydrophobicContact CE1-CB 3.84Å; F758-H815 HydrophobicContact CE2-CB 4.18Å; F758-H815 HydrophobicContact CZ-CB 3.72Å; F758-H815 PolarHBondContact N-O 2.83Å; F758-H815 PolarHBondContact O-N 2.94Å; F758-V817 HydrophobicContact CD1-CG1 4.07Å; F758-V817 HydrophobicContact CE1-CB 4.03Å; F758-V817 HydrophobicContact CE1-CG1 3.8Å; F758-F865 HydrophobicContact CB-CZ 4.38Å; F758-Q868 WeakPolarHBondContact CA-O 3.29Å; F758-L869 HydrophobicContact CB-CD2 3.59Å
759	S	97.5	Very high	96.6	Very high	14 Å²	14	36.2 Å²	36.2	10%	0.098	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	134.8	165	57.2	0	0	0	0	110.1	K813 G867 Q868	S759-K813 VanDerWaalsContact CA-O 3.22Å; S759-K813 WeakPolarHBondContact CA-O 3.07Å; S759-K813 WeakPolarHBondContact CB-O 3.4Å; S759-G867 CarbonylContact O-C 3.6Å; S759-G867 WeakPolarHBondContact O-CA 3.44Å; S759-Q868 PolarHBondContact N-O 2.79Å; S759-Q868 PolarHBondContact O-N 2.88Å; S759-Q868 WeakPolarHBondContact OG-CB 3.46Å; S759-Q868 VanDerWaalsContact OG-CG 3.3Å; S759-Q868 WeakPolarHBondContact OG-CG 3.22Å
760	T	96.6	Very high	96.8	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.031	17%	0.17	C	C	.	.			trans	-159	162.1	-177.5	-170.4	0	0	0	0	113	F758 V762 I784 N810 G812 F865 Q866	F758-T760 HydrophobicContact CD2-CG2 4.32Å; T760-V762 HydrophobicContact CG2-CG2 4.34Å; T760-V762 WeakPolarHBondContact OG1-CG2 3.18Å; T760-V762 PolarHBondContact OG1-N 2.83Å; T760-I784 HydrophobicContact CG2-CD1 3.54Å; T760-N810 HydrophobicContact CG2-CB 4.39Å; T760-N810 CarbonylContact O-C 3.54Å; T760-N810 VanDerWaalsContact O-CA 3.3Å; T760-N810 WeakPolarHBondContact O-CA 3.32Å; T760-G812 WeakPolarHBondContact O-CA 3.43Å; T760-G812 PolarHBondContact O-N 2.9Å; T760-F865 HydrophobicContact CG2-CE2 3.94Å; T760-Q866 WeakPolarHBondContact CB-O 3.44Å; T760-Q866 PolarHBondContact OG1-O 2.93Å
761	T	95	Very high	97	Very high	96 Å²	96	28.7 Å²	28.7	59%	0.589	15%	0.148	S	C	*	.			trans	-115	2.5	166.9	64.8	0	0	0	0	112.7	N810	T761-N810 WeakPolarHBondContact CA-O 3.45Å
762	V	94.6	Very high	97.1	Very high	26 Å²	26	26.2 Å²	26.2	16%	0.158	13%	0.13	C	C	.	.			trans	-74.8	141.5	-179	-54.3	0	0	0	0	111.2	T760 N810 F865 Q866	T760-V762 HydrophobicContact CG2-CG2 4.34Å; T760-V762 WeakPolarHBondContact OG1-CG2 3.18Å; T760-V762 PolarHBondContact OG1-N 2.83Å; V762-N810 WeakPolarHBondContact O-CB 3.38Å; V762-F865 HydrophobicContact CG2-CD2 4.44Å; V762-Q866 HydrophobicContact CG1-CB 3.85Å
763	K	94.6	Very high	97	Very high	140 Å²	140	26.7 Å²	26.7	61%	0.609	13%	0.134	S	C	*	.	S	Bend	trans	-80.4	-28.1	175	-69	-175.1	176.4	-175.3	0	112.7	I784 E785 Q786 G787	K763-I784 WeakPolarHBondContact O-CG2 3.26Å; K763-E785 CarbonylContact O-C 3.57Å; K763-E785 WeakPolarHBondContact O-CA 3.45Å; K763-Q786 PolarHBondContact O-N 2.91Å; K763-G787 PolarHBondContact O-N 3.48Å
764	D	95.6	Very high	96.7	Very high	83 Å²	83	27.8 Å²	27.8	44%	0.444	15%	0.154	S	C	.	.	S	Bend	trans	-144.9	129.6	-173.7	-56	-79.9	0	0	0	109.8	I784 E785 Q786	D764-I784 WeakPolarHBondContact CA-O 3.42Å; D764-E785 VanDerWaalsContact OD1-CA 3.3Å; D764-E785 WeakPolarHBondContact OD1-CA 3.35Å; D764-Q786 PolarHBondContact OD1-N 2.88Å
765	G	96.3	Very high	96.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.8	154.6	-179.7	0	0	0	0	0	112.7	H783 I784	G765-H783 WeakPolarHBondContact O-CA 3.27Å; G765-I784 PolarHBondContact N-O 2.79Å; G765-I784 PolarHBondContact O-N 2.64Å
766	I	98.1	Very high	95.8	Very high	3 Å²	3	36 Å²	36	2%	0.015	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.2	174.9	-67.9	165.6	0	0	0	109.1	R769 Q781 H783 G857 G858 K861 R863 F865	I766-R769 HydrophobicContact CG2-CB 4.18Å; I766-Q781 HydrophobicContact CD1-CG 4.33Å; I766-Q781 VanDerWaalsContact CD1-OE1 3.25Å; I766-Q781 HydrophobicContact CG1-CG 4.17Å; I766-Q781 HydrophobicContact CG2-CG 3.94Å; I766-H783 HydrophobicContact CG1-CB 4.14Å; I766-G857 CarbonylContact O-C 3.6Å; I766-G857 VanDerWaalsContact O-C 3.29Å; I766-G858 WeakPolarHBondContact O-CA 3.47Å; I766-G858 PolarHBondContact O-N 3.05Å; I766-K861 HydrophobicContact CD1-CB 3.8Å; I766-K861 HydrophobicContact CD1-CG 4.25Å; I766-R863 HydrophobicContact CD1-CB 3.89Å; I766-R863 HydrophobicContact CD1-CG 4.41Å; I766-R863 HydrophobicContact CG1-CB 3.92Å; I766-R863 PolarHBondContact N-O 2.77Å; I766-F865 WeakPolarHBondContact O-CB 3.37Å
767	L	98.1	Very high	95.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-54.9	-179.2	-79.3	67.3	0	0	0	109.8	F758 L782 I784 I789 I856 G857 F865 L869	F758-L767 HydrophobicContact CB-CD2 4.03Å; F758-L767 HydrophobicContact CD1-CD2 4.05Å; F758-L767 HydrophobicContact CD2-CD2 4.18Å; F758-L767 HydrophobicContact CG-CD2 3.81Å; L767-L782 HydrophobicContact CB-CD2 4.06Å; L767-L782 HydrophobicContact CB-CG 4.25Å; L767-L782 HydrophobicContact CD2-CD2 4.17Å; L767-L782 PolarHBondContact N-O 3.31Å; L767-I784 HydrophobicContact CD1-CB 4.4Å; L767-I784 HydrophobicContact CD1-CD1 3.82Å; L767-I784 HydrophobicContact CD1-CG1 3.72Å; L767-I789 HydrophobicContact CD1-CD1 4.49Å; L767-I789 HydrophobicContact CD2-CD1 4.06Å; L767-I856 CarbonylContact O-C 3.53Å; L767-I856 WeakPolarHBondContact O-CA 3.21Å; L767-I856 WeakPolarHBondContact O-CG2 3.16Å; L767-G857 PolarHBondContact O-N 3.38Å; L767-F865 HydrophobicContact CD1-CD2 3.54Å; L767-F865 HydrophobicContact CD1-CE2 3.86Å; L767-F865 HydrophobicContact CD1-CG 4.43Å; L767-F865 HydrophobicContact CD2-CE2 4.22Å; L767-F865 HydrophobicContact CG-CD2 3.68Å; L767-F865 HydrophobicContact CG-CE2 3.77Å; L767-F865 HydrophobicContact CG-CG 4.3Å; L767-F865 HydrophobicContact CG-CZ 4.49Å; L767-L869 HydrophobicContact CB-CD2 4.38Å; L767-L869 HydrophobicContact CD2-CD2 3.93Å; L767-L869 HydrophobicContact CG-CD2 4.03Å
768	V	98.4	Very high	95.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	137.7	-177.3	-174.4	0	0	0	0	108.9	L754 I770 L782 I854 A855 I856 L872	L754-V768 HydrophobicContact CD1-CB 4.5Å; L754-V768 HydrophobicContact CD1-CG1 4.19Å; V768-I770 HydrophobicContact CG1-CD1 4.14Å; V768-L782 HydrophobicContact CB-CB 4.35Å; V768-L782 HydrophobicContact CG2-CD2 4.48Å; V768-L782 PolarHBondContact N-O 2.05Å; V768-L782 PolarHBondContact O-N 3.13Å; V768-I854 HydrophobicContact CG1-CG2 3.79Å; V768-A855 CarbonylContact C-O 3.54Å; V768-A855 WeakPolarHBondContact CA-O 3.39Å; V768-I856 HydrophobicContact CG2-CG2 4.47Å; V768-L872 HydrophobicContact CG1-CD1 4.47Å; V768-L872 HydrophobicContact CG1-CD2 4.28Å; V768-L872 HydrophobicContact CG2-CD1 3.88Å; V768-L872 HydrophobicContact CG2-CD2 3.89Å
769	R	98.1	Very high	95.4	Very high	38 Å²	38	39.9 Å²	39.9	14%	0.143	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	132.1	172.5	-178.4	173.5	171.1	117.3	11.4	110.2	I766 D771 L780 Q781 I854 A855	I766-R769 HydrophobicContact CG2-CB 4.18Å; R769-D771 IonicContact CZ-OD1 2.64Å; R769-D771 VanDerWaalsContact NE-CG 3.33Å; R769-D771 IonicContact NE-OD1 2.81Å; R769-D771 PolarHBondContact NE-OD1 3.21Å; R769-D771 IonicContact NE-OD2 3.81Å; R769-D771 PolarHBondContact NE-OD2 2.72Å; R769-D771 VanDerWaalsContact NE-OD2 3.09Å; R769-D771 IonicContact NH2-OD1 3.49Å; R769-D771 PolarHBondContact NH2-OD1 3.35Å; R769-L780 CarbonylContact C-O 3.56Å; R769-L780 VanDerWaalsContact CA-O 3.29Å; R769-L780 WeakPolarHBondContact CA-O 3.38Å; R769-Q781 HydrophobicContact CB-CB 4.49Å; R769-Q781 HydrophobicContact CB-CG 4.29Å; R769-Q781 HydrophobicContact CG-CB 4.22Å; R769-Q781 HydrophobicContact CG-CG 4.33Å; R769-I854 CarbonylContact O-C 3.39Å; R769-I854 WeakPolarHBondContact O-CA 3.48Å; R769-A855 PolarHBondContact N-O 2.74Å; R769-A855 PolarHBondContact O-N 2.83Å
770	I	98.4	Very high	95.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.3	170.3	-54.6	92.8	0	0	0	107.1	W741 L754 V768 F779 L780 F848 Q851 Q853 I854 Y874	W741-I770 HydrophobicContact CH2-CG2 4.18Å; W741-I770 HydrophobicContact CZ3-CG2 4.1Å; L754-I770 HydrophobicContact CD1-CD1 3.98Å; V768-I770 HydrophobicContact CG1-CD1 4.14Å; I770-F779 CarbonylContact O-C 3.15Å; I770-F779 VanDerWaalsContact O-CA 3.22Å; I770-F779 WeakPolarHBondContact O-CA 3.49Å; I770-F779 WeakPolarHBondContact O-CB 3.15Å; I770-L780 HydrophobicContact CB-CB 4.46Å; I770-L780 HydrophobicContact CD1-CB 4.24Å; I770-L780 HydrophobicContact CD1-CD2 3.93Å; I770-L780 HydrophobicContact CD1-CG 4.47Å; I770-L780 PolarHBondContact N-O 3.39Å; I770-L780 PolarHBondContact O-N 3.18Å; I770-F848 HydrophobicContact CB-CE1 4.04Å; I770-F848 HydrophobicContact CB-CZ 4.07Å; I770-F848 HydrophobicContact CG2-CE1 3.79Å; I770-F848 HydrophobicContact CG2-CZ 3.69Å; I770-Q851 HydrophobicContact CG2-CB 4.15Å; I770-Q851 HydrophobicContact CG2-CG 4.37Å; I770-Q853 VanDerWaalsContact CA-O 3.27Å; I770-Q853 WeakPolarHBondContact CA-O 3.36Å; I770-I854 HydrophobicContact CG1-CB 4.44Å; I770-I854 HydrophobicContact CG1-CG1 3.96Å; I770-I854 HydrophobicContact CG1-CG2 4.19Å; I770-Y874 HydrophobicContact CD1-CD2 4.01Å; I770-Y874 HydrophobicContact CD1-CE1 4.42Å; I770-Y874 HydrophobicContact CD1-CE2 3.74Å; I770-Y874 HydrophobicContact CD1-CG 4.46Å; I770-Y874 HydrophobicContact CG1-CD1 4.35Å; I770-Y874 HydrophobicContact CG1-CE1 3.96Å; I770-Y874 HydrophobicContact CG1-CE2 4.16Å; I770-Y874 HydrophobicContact CG2-CE1 4.34Å
771	D	97.8	Very high	95.5	Very high	29 Å²	29	39.7 Å²	39.7	16%	0.155	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.8	176.7	-76.2	-55.2	0	0	0	110.1	R769 A852 Q853 K861	R769-D771 IonicContact CZ-OD1 2.64Å; R769-D771 VanDerWaalsContact NE-CG 3.33Å; R769-D771 IonicContact NE-OD1 2.81Å; R769-D771 PolarHBondContact NE-OD1 3.21Å; R769-D771 IonicContact NE-OD2 3.81Å; R769-D771 PolarHBondContact NE-OD2 2.72Å; R769-D771 VanDerWaalsContact NE-OD2 3.09Å; R769-D771 IonicContact NH2-OD1 3.49Å; R769-D771 PolarHBondContact NH2-OD1 3.35Å; D771-A852 PolarHBondContact O-N 3.05Å; D771-Q853 PolarHBondContact N-O 3.42Å; D771-Q853 PolarHBondContact O-N 2.88Å; D771-K861 IonicContact OD1-NZ 3.64Å; D771-K861 WeakPolarHBondContact OD2-CE 3.26Å; D771-K861 IonicContact OD2-NZ 2.94Å; D771-K861 PolarHBondContact OD2-NZ 2.99Å
772	S	97.1	Very high	95.7	Very high	16 Å²	16	35.1 Å²	35.1	11%	0.112	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	172.7	171.9	73	0	0	0	0	113	G777 D778 N849 T850	S772-G777 PolarHBondContact OG-N 3.06Å; S772-D778 VanDerWaalsContact CB-O 3.24Å; S772-D778 WeakPolarHBondContact CB-O 2.98Å; S772-D778 PolarHBondContact N-O 2.75Å; S772-D778 PolarHBondContact OG-O 3.11Å; S772-N849 WeakPolarHBondContact CB-O 3.26Å; S772-T850 CarbonylContact C-O 3.56Å
773	A	94	Very high	95.8	Very high	11 Å²	11	34.8 Å²	34.8	9%	0.091	22%	0.215	C	C	.	.	S	Bend	trans	-53.8	148.3	161.4	0	0	0	0	0	111.3	G775 L776 T850 A852	A773-G775 PolarHBondContact O-N 2.79Å; A773-L776 HydrophobicContact CB-CD1 4.14Å; A773-L776 PolarHBondContact O-N 2.78Å; A773-T850 HydrophobicContact CB-CG2 3.79Å; A773-T850 PolarHBondContact N-O 3.07Å; A773-A852 HydrophobicContact CB-CB 4.42Å
774	P	90.7	Very high	96	Very high	123 Å²	123	28.1 Å²	28.1	80%	0.799	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	132.1	179.7	-26.8	34.9	0	0	0	112.5
775	G	88.3	Confident	95.9	Very high	84 Å²	84	27.5 Å²	27.5	87%	0.866	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.1	-11.7	176.6	0	0	0	0	0	116.1	A773	A773-G775 PolarHBondContact O-N 2.79Å
776	L	89.4	Confident	95.8	Very high	88 Å²	88	34.2 Å²	34.2	46%	0.461	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-40.8	177.5	-59.7	175.2	0	0	0	112.7	A773 D778 N849	A773-L776 HydrophobicContact CB-CD1 4.14Å; A773-L776 PolarHBondContact O-N 2.78Å; L776-D778 VanDerWaalsContact C-N 3.34Å; L776-N849 HydrophobicContact CD1-CB 4.11Å
777	G	90.3	Very high	95.6	Very high	52 Å²	52	34.1 Å²	34.1	54%	0.536	21%	0.212	S	C	.	.			trans	88.3	-7.7	173.7	0	0	0	0	0	115.3	S772	S772-G777 PolarHBondContact OG-N 3.06Å
778	D	96.6	Very high	95.5	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.027	22%	0.221	C	C	.	.			trans	-67	141.8	174.7	-58.3	-14.1	0	0	0	111.2	S772 L776 N794 I795 G796 F848 N849	S772-D778 VanDerWaalsContact CB-O 3.24Å; S772-D778 WeakPolarHBondContact CB-O 2.98Å; S772-D778 PolarHBondContact N-O 2.75Å; S772-D778 PolarHBondContact OG-O 3.11Å; L776-D778 VanDerWaalsContact C-N 3.34Å; D778-N794 CarbonylContact C-O 3.59Å; D778-N794 VanDerWaalsContact CA-O 3.24Å; D778-N794 WeakPolarHBondContact CA-O 3.17Å; D778-N794 WeakPolarHBondContact CB-O 3.23Å; D778-I795 VanDerWaalsContact OD1-C 3.26Å; D778-I795 WeakPolarHBondContact OD1-CA 3.4Å; D778-G796 PolarHBondContact OD1-N 2.91Å; D778-F848 HydrophobicContact CB-CD2 3.4Å; D778-F848 HydrophobicContact CB-CE2 3.6Å; D778-N849 WeakPolarHBondContact OD2-CB 3.36Å; D778-N849 PolarHBondContact OD2-N 2.89Å; D778-N849 PolarHBondContact OD2-ND2 3.25Å
779	F	97.5	Very high	95.4	Very high	24 Å²	24	36.1 Å²	36.1	11%	0.105	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	162.1	176.6	71.4	-88.4	0	0	0	112.2	I770 Q781 V792 F793 N794	I770-F779 CarbonylContact O-C 3.15Å; I770-F779 VanDerWaalsContact O-CA 3.22Å; I770-F779 WeakPolarHBondContact O-CA 3.49Å; I770-F779 WeakPolarHBondContact O-CB 3.15Å; F779-Q781 HydrophobicContact CD2-CB 4.16Å; F779-Q781 HydrophobicContact CE2-CB 4.29Å; F779-V792 HydrophobicContact CE2-CG1 4.33Å; F779-V792 HydrophobicContact CE2-CG2 4.38Å; F779-V792 HydrophobicContact CZ-CG2 4.44Å; F779-F793 CarbonylContact O-C 3.56Å; F779-F793 WeakPolarHBondContact O-CA 3.39Å; F779-F793 VanDerWaalsContact O-CB 3.28Å; F779-F793 WeakPolarHBondContact O-CB 3.47Å; F779-N794 HydrophobicContact CD1-CB 3.9Å; F779-N794 HydrophobicContact CE1-CB 3.59Å; F779-N794 HydrophobicContact CZ-CB 4.25Å; F779-N794 PolarHBondContact N-O 2.89Å; F779-N794 PolarHBondContact O-N 3.13Å
780	L	98.3	Very high	95.3	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	127.6	169.1	-173	169.4	0	0	0	108.4	D752 L754 R769 I770 V791 F793 F819 F848 Y874	D752-L780 HydrophobicContact CB-CD1 4.28Å; L754-L780 HydrophobicContact CD1-CD2 4.02Å; R769-L780 CarbonylContact C-O 3.56Å; R769-L780 VanDerWaalsContact CA-O 3.29Å; R769-L780 WeakPolarHBondContact CA-O 3.38Å; I770-L780 HydrophobicContact CB-CB 4.46Å; I770-L780 HydrophobicContact CD1-CB 4.24Å; I770-L780 HydrophobicContact CD1-CD2 3.93Å; I770-L780 HydrophobicContact CD1-CG 4.47Å; I770-L780 PolarHBondContact N-O 3.39Å; I770-L780 PolarHBondContact O-N 3.18Å; L780-V791 HydrophobicContact CD2-CG1 3.89Å; L780-V791 HydrophobicContact CG-CG1 4.23Å; L780-F793 HydrophobicContact CB-CB 4.2Å; L780-F793 HydrophobicContact CG-CB 4.22Å; L780-F819 HydrophobicContact CD1-CD1 4.25Å; L780-F819 HydrophobicContact CD1-CE1 3.68Å; L780-F819 HydrophobicContact CG-CE1 4.24Å; L780-F848 HydrophobicContact CB-CE1 3.85Å; L780-Y874 HydrophobicContact CD1-CE2 4.16Å
781	Q	98.4	Very high	95.3	Very high	15 Å²	15	34.3 Å²	34.3	7%	0.07	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	114.5	-176.9	-175.6	-174.8	-88.4	0	0	112.2	I766 R769 F779 H783 V791 V792	I766-Q781 HydrophobicContact CD1-CG 4.33Å; I766-Q781 VanDerWaalsContact CD1-OE1 3.25Å; I766-Q781 HydrophobicContact CG1-CG 4.17Å; I766-Q781 HydrophobicContact CG2-CG 3.94Å; R769-Q781 HydrophobicContact CB-CB 4.49Å; R769-Q781 HydrophobicContact CB-CG 4.29Å; R769-Q781 HydrophobicContact CG-CB 4.22Å; R769-Q781 HydrophobicContact CG-CG 4.33Å; F779-Q781 HydrophobicContact CD2-CB 4.16Å; F779-Q781 HydrophobicContact CE2-CB 4.29Å; Q781-H783 HydrophobicContact CG-CB 4.48Å; Q781-V791 WeakPolarHBondContact O-CA 3.14Å; Q781-V792 HydrophobicContact CB-CG1 4.07Å; Q781-V792 PolarHBondContact N-O 3.19Å; Q781-V792 PolarHBondContact O-N 3.16Å
782	L	98.4	Very high	95.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	125.5	166.7	178.7	72	0	0	0	109.8	L754 V756 L767 V768 I789 V791 V817	L754-L782 HydrophobicContact CD2-CD2 3.88Å; V756-L782 HydrophobicContact CG1-CD2 3.39Å; L767-L782 HydrophobicContact CB-CD2 4.06Å; L767-L782 HydrophobicContact CB-CG 4.25Å; L767-L782 HydrophobicContact CD2-CD2 4.17Å; L767-L782 PolarHBondContact N-O 3.31Å; V768-L782 HydrophobicContact CB-CB 4.35Å; V768-L782 HydrophobicContact CG2-CD2 4.48Å; V768-L782 PolarHBondContact N-O 2.05Å; V768-L782 PolarHBondContact O-N 3.13Å; L782-I789 HydrophobicContact CD1-CD1 3.84Å; L782-I789 HydrophobicContact CD1-CG1 3.89Å; L782-I789 HydrophobicContact CG-CD1 4.21Å; L782-V791 HydrophobicContact CB-CG2 4.32Å; L782-V791 HydrophobicContact CD1-CG2 3.54Å; L782-V817 HydrophobicContact CD1-CG1 4.03Å; L782-V817 HydrophobicContact CD1-CG2 4.1Å; L782-V817 HydrophobicContact CD2-CG1 3.74Å
783	H	98	Very high	95.3	Very high	18 Å²	18	33.1 Å²	33.1	8%	0.083	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	156	-173.3	69.1	-29.7	0	0	0	112.7	G765 I766 Q781 G790	G765-H783 WeakPolarHBondContact O-CA 3.27Å; I766-H783 HydrophobicContact CG1-CB 4.14Å; Q781-H783 HydrophobicContact CG-CB 4.48Å; H783-G790 PolarHBondContact N-O 3.39Å; H783-G790 PolarHBondContact ND1-O 3.07Å; H783-G790 PolarHBondContact O-N 3.39Å; H783-G790 VanDerWaalsContact O-O 3.06Å
784	I	97.2	Very high	95.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	138.1	166.1	-63	171	0	0	0	107.9	F758 T760 K763 D764 G765 L767 K788 I789 V809 R863 F865	F758-I784 HydrophobicContact CD2-CD1 4.18Å; F758-I784 HydrophobicContact CE2-CD1 3.83Å; T760-I784 HydrophobicContact CG2-CD1 3.54Å; K763-I784 WeakPolarHBondContact O-CG2 3.26Å; D764-I784 WeakPolarHBondContact CA-O 3.42Å; G765-I784 PolarHBondContact N-O 2.79Å; G765-I784 PolarHBondContact O-N 2.64Å; L767-I784 HydrophobicContact CD1-CB 4.4Å; L767-I784 HydrophobicContact CD1-CD1 3.82Å; L767-I784 HydrophobicContact CD1-CG1 3.72Å; I784-K788 VanDerWaalsContact CA-O 3.31Å; I784-K788 WeakPolarHBondContact CA-O 3.02Å; I784-I789 HydrophobicContact CD1-CD1 4.27Å; I784-I789 HydrophobicContact CG1-CD1 3.5Å; I784-I789 VanDerWaalsContact CG1-CD1 3.5Å; I784-V809 HydrophobicContact CD1-CG2 4.17Å; I784-V809 HydrophobicContact CG1-CG2 4.34Å; I784-R863 PolarHBondContact O-NH2 3.09Å; I784-R863 VanDerWaalsContact O-NH2 3.15Å; I784-F865 HydrophobicContact CD1-CE2 4.45Å
785	E	95.2	Very high	95.5	Very high	70 Å²	70	27.9 Å²	27.9	33%	0.327	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	128.5	176.6	-177.6	-170.9	-113.8	0	0	110.1	K763 D764 G787 K788 K803	K763-E785 CarbonylContact O-C 3.57Å; K763-E785 WeakPolarHBondContact O-CA 3.45Å; D764-E785 VanDerWaalsContact OD1-CA 3.3Å; D764-E785 WeakPolarHBondContact OD1-CA 3.35Å; E785-G787 PolarHBondContact O-N 3.46Å; E785-K788 PolarHBondContact N-O 2.72Å; E785-K788 PolarHBondContact O-N 3.02Å; E785-K788 VanDerWaalsContact O-N 3.07Å; E785-K803 PolarHBondContact O-NZ 3.16Å; E785-K803 IonicContact OE2-NZ 3.26Å; E785-K803 PolarHBondContact OE2-NZ 2.87Å
786	Q	93.9	Very high	95.3	Very high	142 Å²	142	25.8 Å²	25.8	66%	0.664	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	30.5	-171	-58.9	176.8	4.8	0	0	113.6	K763 D764 K788	K763-Q786 PolarHBondContact O-N 2.91Å; D764-Q786 PolarHBondContact OD1-N 2.88Å; Q786-K788 VanDerWaalsContact C-N 3.29Å; Q786-K788 PolarHBondContact O-N 2.88Å
787	G	93.3	Very high	94.9	Very high	1 Å²	1	24 Å²	24	1%	0.01	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-3	-178.1	0	0	0	0	0	115.2	K763 E785 P808 V809 N810	K763-G787 PolarHBondContact O-N 3.48Å; E785-G787 PolarHBondContact O-N 3.46Å; G787-P808 CarbonylContact O-C 3.55Å; G787-P808 VanDerWaalsContact O-CA 3.31Å; G787-P808 WeakPolarHBondContact O-CA 3.43Å; G787-V809 WeakPolarHBondContact O-CG2 3.29Å; G787-V809 PolarHBondContact O-N 2.81Å; G787-N810 VanDerWaalsContact CA-OD1 3.27Å; G787-N810 WeakPolarHBondContact CA-OD1 3.46Å; G787-N810 PolarHBondContact O-OD1 3.39Å
788	K	95.2	Very high	94.8	Very high	42 Å²	42	25.7 Å²	25.7	18%	0.183	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	142.6	179.6	-58.4	-176.1	-165.8	-176	0	111	I784 E785 Q786 E804 E805	I784-K788 VanDerWaalsContact CA-O 3.31Å; I784-K788 WeakPolarHBondContact CA-O 3.02Å; E785-K788 PolarHBondContact N-O 2.72Å; E785-K788 PolarHBondContact O-N 3.02Å; E785-K788 VanDerWaalsContact O-N 3.07Å; Q786-K788 VanDerWaalsContact C-N 3.29Å; Q786-K788 PolarHBondContact O-N 2.88Å; K788-E804 WeakPolarHBondContact CB-O 3.27Å; K788-E804 WeakPolarHBondContact CD-O 3.47Å; K788-E805 WeakPolarHBondContact CE-O 3.39Å; K788-E805 PolarHBondContact NZ-O 3.04Å; K788-E805 IonicContact NZ-OE2 2.67Å; K788-E805 PolarHBondContact NZ-OE2 2.82Å
789	I	96.9	Very high	94.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	143.3	177	-165.5	73.6	0	0	0	111.1	F758 L767 L782 I784 K803 E804 V809 V817 V830	F758-I789 HydrophobicContact CE1-CD1 4.32Å; F758-I789 HydrophobicContact CZ-CD1 4.13Å; F758-I789 HydrophobicContact CZ-CG1 4.41Å; L767-I789 HydrophobicContact CD1-CD1 4.49Å; L767-I789 HydrophobicContact CD2-CD1 4.06Å; L782-I789 HydrophobicContact CD1-CD1 3.84Å; L782-I789 HydrophobicContact CD1-CG1 3.89Å; L782-I789 HydrophobicContact CG-CD1 4.21Å; I784-I789 HydrophobicContact CD1-CD1 4.27Å; I784-I789 HydrophobicContact CG1-CD1 3.5Å; I784-I789 VanDerWaalsContact CG1-CD1 3.5Å; I789-K803 WeakPolarHBondContact O-CG 3.36Å; I789-E804 HydrophobicContact CG2-CB 4.07Å; I789-E804 PolarHBondContact O-N 3.07Å; I789-V809 HydrophobicContact CB-CG2 3.91Å; I789-V809 HydrophobicContact CG2-CG1 4.25Å; I789-V809 HydrophobicContact CG2-CG2 4.41Å; I789-V817 HydrophobicContact CG1-CB 4.34Å; I789-V817 HydrophobicContact CG1-CG1 4.43Å; I789-V817 HydrophobicContact CG1-CG2 4.06Å; I789-V830 HydrophobicContact CG2-CG2 3.42Å; I789-V830 VanDerWaalsContact CG2-CG2 3.42Å
790	G	97	Very high	94.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	168.1	171.8	0	0	0	0	0	112.6	H783 I802	H783-G790 PolarHBondContact N-O 3.39Å; H783-G790 PolarHBondContact ND1-O 3.07Å; H783-G790 PolarHBondContact O-N 3.39Å; H783-G790 VanDerWaalsContact O-O 3.06Å; G790-I802 CarbonylContact C-O 3.51Å; G790-I802 WeakPolarHBondContact CA-O 3.45Å
791	V	98.2	Very high	94.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.3	172.5	-180	0	0	0	0	108.9	L780 Q781 L782 F793 S801 I802 F819 L828	L780-V791 HydrophobicContact CD2-CG1 3.89Å; L780-V791 HydrophobicContact CG-CG1 4.23Å; Q781-V791 WeakPolarHBondContact O-CA 3.14Å; L782-V791 HydrophobicContact CB-CG2 4.32Å; L782-V791 HydrophobicContact CD1-CG2 3.54Å; V791-F793 HydrophobicContact CG1-CD1 4.41Å; V791-S801 WeakPolarHBondContact O-CA 3.37Å; V791-I802 HydrophobicContact CB-CG2 4.12Å; V791-I802 PolarHBondContact N-O 2.56Å; V791-I802 PolarHBondContact O-N 3.1Å; V791-F819 HydrophobicContact CB-CD2 3.7Å; V791-F819 HydrophobicContact CB-CE2 3.75Å; V791-F819 HydrophobicContact CB-CG 4.38Å; V791-F819 HydrophobicContact CB-CZ 4.49Å; V791-F819 HydrophobicContact CG1-CD1 4.48Å; V791-F819 HydrophobicContact CG1-CD2 3.83Å; V791-F819 HydrophobicContact CG1-CE1 4.27Å; V791-F819 HydrophobicContact CG1-CE2 3.55Å; V791-F819 HydrophobicContact CG1-CG 4.28Å; V791-F819 HydrophobicContact CG1-CZ 3.8Å; V791-F819 HydrophobicContact CG2-CB 4.12Å; V791-F819 HydrophobicContact CG2-CD2 3.61Å; V791-F819 HydrophobicContact CG2-CE2 4.19Å; V791-F819 HydrophobicContact CG2-CG 3.92Å; V791-L828 HydrophobicContact CG2-CD1 4.04Å
792	V	97.5	Very high	94.2	Very high	19 Å²	19	32.6 Å²	32.6	12%	0.115	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.4	168.5	55.3	0	0	0	0	108.8	F779 Q781 D799 I800	F779-V792 HydrophobicContact CE2-CG1 4.33Å; F779-V792 HydrophobicContact CE2-CG2 4.38Å; F779-V792 HydrophobicContact CZ-CG2 4.44Å; Q781-V792 HydrophobicContact CB-CG1 4.07Å; Q781-V792 PolarHBondContact N-O 3.19Å; Q781-V792 PolarHBondContact O-N 3.16Å; V792-D799 HydrophobicContact CG2-CB 4.05Å; V792-I800 WeakPolarHBondContact CA-O 3.33Å
793	F	97.3	Very high	94	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	154.4	-178	67.4	-87.7	0	0	0	111.8	F779 L780 V791 I795 I800 F819 R821 A826	F779-F793 CarbonylContact O-C 3.56Å; F779-F793 WeakPolarHBondContact O-CA 3.39Å; F779-F793 VanDerWaalsContact O-CB 3.28Å; F779-F793 WeakPolarHBondContact O-CB 3.47Å; L780-F793 HydrophobicContact CB-CB 4.2Å; L780-F793 HydrophobicContact CG-CB 4.22Å; V791-F793 HydrophobicContact CG1-CD1 4.41Å; F793-I795 HydrophobicContact CD2-CG2 4.3Å; F793-I795 HydrophobicContact CE2-CD1 4.28Å; F793-I800 HydrophobicContact CD1-CB 4.36Å; F793-I800 HydrophobicContact CD1-CG2 4.48Å; F793-I800 HydrophobicContact CD2-CB 4.41Å; F793-I800 HydrophobicContact CE1-CB 3.89Å; F793-I800 HydrophobicContact CE1-CG2 3.62Å; F793-I800 HydrophobicContact CE2-CB 3.95Å; F793-I800 HydrophobicContact CE2-CD1 3.7Å; F793-I800 HydrophobicContact CE2-CG1 4.42Å; F793-I800 HydrophobicContact CE2-CG2 4.26Å; F793-I800 HydrophobicContact CZ-CB 3.68Å; F793-I800 HydrophobicContact CZ-CD1 3.96Å; F793-I800 HydrophobicContact CZ-CG1 4.44Å; F793-I800 HydrophobicContact CZ-CG2 3.49Å; F793-I800 VanDerWaalsContact CZ-CG2 3.49Å; F793-I800 PolarHBondContact N-O 2.8Å; F793-I800 PolarHBondContact O-N 2.88Å; F793-F819 HydrophobicContact CD1-CE2 4.31Å; F793-F819 AromaticContact CD1-CZ 3.87Å; F793-F819 HydrophobicContact CD1-CZ 3.87Å; F793-F819 HydrophobicContact CE1-CE2 4.25Å; F793-F819 AromaticContact CE1-CZ 3.95Å; F793-F819 HydrophobicContact CE1-CZ 3.95Å; F793-R821 VanDerWaalsContact CE2-CD 3.42Å; F793-R821 HydrophobicContact CE2-CG 4.03Å; F793-R821 HydrophobicContact CZ-CG 4.09Å; F793-A826 HydrophobicContact CE1-CB 3.68Å; F793-A826 HydrophobicContact CZ-CB 3.94Å
794	N	94.9	Very high	93.7	Very high	22 Å²	22	34.1 Å²	34.1	12%	0.118	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	138.5	173.9	-164.8	-38.9	0	0	0	108.9	D778 F779 G796 T797 D799	D778-N794 CarbonylContact C-O 3.59Å; D778-N794 VanDerWaalsContact CA-O 3.24Å; D778-N794 WeakPolarHBondContact CA-O 3.17Å; D778-N794 WeakPolarHBondContact CB-O 3.23Å; F779-N794 HydrophobicContact CD1-CB 3.9Å; F779-N794 HydrophobicContact CE1-CB 3.59Å; F779-N794 HydrophobicContact CZ-CB 4.25Å; F779-N794 PolarHBondContact N-O 2.89Å; F779-N794 PolarHBondContact O-N 3.13Å; N794-G796 PolarHBondContact OD1-N 2.84Å; N794-T797 PolarHBondContact OD1-N 2.94Å; N794-D799 PolarHBondContact ND2-OD1 2.91Å
795	I	93.6	Very high	93.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	22%	0.216	C	C	.	.	S	Bend	trans	-134.6	38.6	-176.9	54.5	177.7	0	0	0	110.8	D778 F793 G823 L845 F848	D778-I795 VanDerWaalsContact OD1-C 3.26Å; D778-I795 WeakPolarHBondContact OD1-CA 3.4Å; F793-I795 HydrophobicContact CD2-CG2 4.3Å; F793-I795 HydrophobicContact CE2-CD1 4.28Å; I795-G823 WeakPolarHBondContact CD1-O 3.45Å; I795-L845 VanDerWaalsContact CD1-O 3.22Å; I795-L845 WeakPolarHBondContact CD1-O 3.25Å; I795-L845 WeakPolarHBondContact O-CB 3.34Å; I795-F848 HydrophobicContact CG2-CB 3.8Å; I795-F848 HydrophobicContact CG2-CG 4.4Å
796	G	84.2	Confident	92.7	Very high	41 Å²	41	46 Å²	46	42%	0.423	24%	0.239	S	C	.	.	S	Bend	trans	91.1	14.7	176.5	0	0	0	0	0	115.7	D778 N794 L845	D778-G796 PolarHBondContact OD1-N 2.91Å; N794-G796 PolarHBondContact OD1-N 2.84Å; G796-L845 WeakPolarHBondContact O-CD1 3.31Å
797	T	80.9	Confident	92.6	Very high	50 Å²	50	41.9 Å²	41.9	31%	0.307	22%	0.224	S	C	.	.	S	Bend	trans	-123.4	-94.4	174.4	53.4	0	0	0	0	112.1	N794 Q844 L845	N794-T797 PolarHBondContact OD1-N 2.94Å; T797-Q844 PolarHBondContact OG1-OE1 3.21Å; T797-L845 HydrophobicContact CG2-CB 4.01Å; T797-L845 HydrophobicContact CG2-CD1 4.33Å; T797-L845 HydrophobicContact CG2-CG 3.83Å
798	V	88.5	Confident	92.6	Very high	88 Å²	88	45.1 Å²	45.1	53%	0.533	24%	0.244	S	C	.	.	S	Bend	trans	-133	156.2	179.7	-66.2	0	0	0	0	108.8	I800	V798-I800 PolarHBondContact O-N 2.82Å; V798-I800 VanDerWaalsContact O-N 3.12Å
799	D	93.8	Very high	92.6	Very high	95 Å²	95	43.1 Å²	43.1	51%	0.508	24%	0.236	S	C	.	.			trans	-63.2	114.5	176.2	-70.6	14.6	0	0	0	109.9	V792 N794	V792-D799 HydrophobicContact CG2-CB 4.05Å; N794-D799 PolarHBondContact ND2-OD1 2.91Å
800	I	94.5	Very high	92.5	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131.7	173.8	-63.1	159.3	0	0	0	107.1	V792 F793 V798 P840	V792-I800 WeakPolarHBondContact CA-O 3.33Å; F793-I800 HydrophobicContact CD1-CB 4.36Å; F793-I800 HydrophobicContact CD1-CG2 4.48Å; F793-I800 HydrophobicContact CD2-CB 4.41Å; F793-I800 HydrophobicContact CE1-CB 3.89Å; F793-I800 HydrophobicContact CE1-CG2 3.62Å; F793-I800 HydrophobicContact CE2-CB 3.95Å; F793-I800 HydrophobicContact CE2-CD1 3.7Å; F793-I800 HydrophobicContact CE2-CG1 4.42Å; F793-I800 HydrophobicContact CE2-CG2 4.26Å; F793-I800 HydrophobicContact CZ-CB 3.68Å; F793-I800 HydrophobicContact CZ-CD1 3.96Å; F793-I800 HydrophobicContact CZ-CG1 4.44Å; F793-I800 HydrophobicContact CZ-CG2 3.49Å; F793-I800 VanDerWaalsContact CZ-CG2 3.49Å; F793-I800 PolarHBondContact N-O 2.8Å; F793-I800 PolarHBondContact O-N 2.88Å; V798-I800 PolarHBondContact O-N 2.82Å; V798-I800 VanDerWaalsContact O-N 3.12Å; I800-P840 HydrophobicContact CD1-CB 4.46Å; I800-P840 HydrophobicContact CD1-CG 4.06Å; I800-P840 HydrophobicContact CG1-CB 4.45Å
801	S	94.1	Very high	92.4	Very high	76 Å²	76	48.4 Å²	48.4	53%	0.531	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.3	-178.7	65.3	0	0	0	0	111.8	V791	V791-S801 WeakPolarHBondContact O-CA 3.37Å
802	I	95.7	Very high	92.2	Very high	12 Å²	12	50.2 Å²	50.2	6%	0.062	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.7	174.1	-171.9	170.6	0	0	0	108.4	G790 V791 F819 A826 L828 N836 H838	G790-I802 CarbonylContact C-O 3.51Å; G790-I802 WeakPolarHBondContact CA-O 3.45Å; V791-I802 HydrophobicContact CB-CG2 4.12Å; V791-I802 PolarHBondContact N-O 2.56Å; V791-I802 PolarHBondContact O-N 3.1Å; I802-F819 HydrophobicContact CG2-CD2 4.18Å; I802-F819 HydrophobicContact CG2-CE2 3.88Å; I802-A826 HydrophobicContact CG2-CB 4.44Å; I802-L828 HydrophobicContact CD1-CB 3.72Å; I802-L828 HydrophobicContact CG1-CB 3.85Å; I802-L828 HydrophobicContact CG1-CD2 4.47Å; I802-L828 HydrophobicContact CG2-CB 4.1Å; I802-L828 HydrophobicContact CG2-CD2 4.5Å; I802-N836 HydrophobicContact CD1-CB 4.28Å; I802-N836 WeakPolarHBondContact CD1-O 3.29Å; I802-H838 HydrophobicContact CB-CB 4.32Å; I802-H838 HydrophobicContact CD1-CB 3.82Å; I802-H838 HydrophobicContact CG1-CB 4.21Å
803	K	93.4	Very high	92.1	Very high	42 Å²	42	55.7 Å²	55.7	18%	0.183	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	142.5	-169.9	-167.4	171.1	-179.8	-177.5	0	110.1	E785 I789 E805	E785-K803 PolarHBondContact O-NZ 3.16Å; E785-K803 IonicContact OE2-NZ 3.26Å; E785-K803 PolarHBondContact OE2-NZ 2.87Å; I789-K803 WeakPolarHBondContact O-CG 3.36Å; K803-E805 PolarHBondContact O-N 3.03Å
804	E	92.8	Very high	92	Very high	9 Å²	9	59.2 Å²	59.2	4%	0.042	32%	0.319	C	S	.	.			trans	-81.3	107.5	171.4	174.6	41.6	-111	0	0	108.8	K788 I789 R806 V830 W833 N836	K788-E804 WeakPolarHBondContact CB-O 3.27Å; K788-E804 WeakPolarHBondContact CD-O 3.47Å; I789-E804 HydrophobicContact CG2-CB 4.07Å; I789-E804 PolarHBondContact O-N 3.07Å; E804-R806 WeakPolarHBondContact OE1-CB 3.25Å; E804-R806 PolarHBondContact OE1-N 2.89Å; E804-V830 HydrophobicContact CB-CG2 4.31Å; E804-V830 HydrophobicContact CG-CG2 4.41Å; E804-W833 HydrophobicContact CG-CE3 3.75Å; E804-W833 HydrophobicContact CG-CZ3 3.62Å; E804-N836 PolarHBondContact OE2-ND2 3.42Å
805	E	86.9	Confident	92.1	Very high	105 Å²	105	58.9 Å²	58.9	49%	0.491	32%	0.316	S	S	.	.			trans	-89.6	-14.1	-169.6	-77.7	-61.1	164.7	0	0	115.3	K788 K803	K788-E805 WeakPolarHBondContact CE-O 3.39Å; K788-E805 PolarHBondContact NZ-O 3.04Å; K788-E805 IonicContact NZ-OE2 2.67Å; K788-E805 PolarHBondContact NZ-OE2 2.82Å; K803-E805 PolarHBondContact O-N 3.03Å
806	R	85.3	Confident	92.3	Very high	214 Å²	214	59.2 Å²	59.2	81%	0.808	32%	0.319	S	S	*	.	S	Bend	trans	-93.8	-40.4	-170.2	-60.2	-179.3	179.3	179	2.4	113	E804	E804-R806 WeakPolarHBondContact OE1-CB 3.25Å; E804-R806 PolarHBondContact OE1-N 2.89Å
807	T	90.1	Very high	92.9	Very high	56 Å²	56	57.3 Å²	57.3	34%	0.344	30%	0.299	S	S	.	.			trans	-127.3	120.4	-165.1	-48.2	0	0	0	0	112	W833	T807-W833 VanDerWaalsContact CB-CH2 3.43Å; T807-W833 HydrophobicContact CG2-CH2 3.38Å; T807-W833 HydrophobicContact CG2-CZ2 3.62Å; T807-W833 HydrophobicContact CG2-CZ3 4.1Å
808	P	93.6	Very high	93.7	Very high	69 Å²	69	55.8 Å²	55.8	45%	0.448	29%	0.288	S	S	.	.			trans	-65.7	144.7	169.4	-19.2	32.5	0	0	0	112.1	G787 N810	G787-P808 CarbonylContact O-C 3.55Å; G787-P808 VanDerWaalsContact O-CA 3.31Å; G787-P808 WeakPolarHBondContact O-CA 3.43Å; P808-N810 WeakPolarHBondContact CB-OD1 3.44Å
809	V	95.7	Very high	94.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.262	C	S	.	.			trans	-114.8	10	-177.9	-65.2	0	0	0	0	112.8	F758 I784 G787 I789 D811 H815 V830 W833	F758-V809 HydrophobicContact CE2-CB 3.92Å; F758-V809 HydrophobicContact CE2-CG2 3.74Å; F758-V809 HydrophobicContact CZ-CB 3.85Å; F758-V809 HydrophobicContact CZ-CG1 4.33Å; F758-V809 HydrophobicContact CZ-CG2 3.76Å; I784-V809 HydrophobicContact CD1-CG2 4.17Å; I784-V809 HydrophobicContact CG1-CG2 4.34Å; G787-V809 WeakPolarHBondContact O-CG2 3.29Å; G787-V809 PolarHBondContact O-N 2.81Å; I789-V809 HydrophobicContact CB-CG2 3.91Å; I789-V809 HydrophobicContact CG2-CG1 4.25Å; I789-V809 HydrophobicContact CG2-CG2 4.41Å; V809-D811 VanDerWaalsContact C-N 3.33Å; V809-H815 PolarHBondContact O-CD2 3.44Å; V809-V830 HydrophobicContact CG1-CG1 4.06Å; V809-W833 HydrophobicContact CG1-CH2 3.87Å; V809-W833 HydrophobicContact CG1-CZ3 4.13Å
810	N	95.4	Very high	94.3	Very high	34 Å²	34	49.3 Å²	49.3	18%	0.182	25%	0.251	C	S	.	.			trans	-98.2	34.7	-178.1	73.8	-58.9	0	0	0	112.3	T760 T761 V762 G787 P808	T760-N810 HydrophobicContact CG2-CB 4.39Å; T760-N810 CarbonylContact O-C 3.54Å; T760-N810 VanDerWaalsContact O-CA 3.3Å; T760-N810 WeakPolarHBondContact O-CA 3.32Å; T761-N810 WeakPolarHBondContact CA-O 3.45Å; V762-N810 WeakPolarHBondContact O-CB 3.38Å; G787-N810 VanDerWaalsContact CA-OD1 3.27Å; G787-N810 WeakPolarHBondContact CA-OD1 3.46Å; G787-N810 PolarHBondContact O-OD1 3.39Å; P808-N810 WeakPolarHBondContact CB-OD1 3.44Å
811	D	95	Very high	94.4	Very high	76 Å²	76	49.2 Å²	49.2	41%	0.406	25%	0.251	S	S	.	.	S	Bend	trans	-88.8	-0.7	-176.1	81.4	-17.4	0	0	0	113.7	V809 K813 H815	V809-D811 VanDerWaalsContact C-N 3.33Å; D811-K813 VanDerWaalsContact OD1-CB 3.24Å; D811-K813 WeakPolarHBondContact OD1-CB 3.11Å; D811-K813 WeakPolarHBondContact OD1-CG 3.12Å; D811-K813 PolarHBondContact OD1-N 2.92Å; D811-K813 WeakPolarHBondContact OD2-CD 3.29Å; D811-K813 WeakPolarHBondContact OD2-CE 3.05Å; D811-K813 WeakPolarHBondContact OD2-CG 3.48Å; D811-K813 IonicContact OD2-NZ 2.71Å; D811-K813 PolarHBondContact OD2-NZ 2.77Å; D811-H815 IonicContact OD1-NE2 3.57Å; D811-H815 PolarHBondContact OD1-NE2 2.75Å
812	G	92.4	Very high	94.4	Very high	39 Å²	39	49.9 Å²	49.9	40%	0.402	25%	0.248	S	C	.	.	S	Bend	trans	85.9	-2	-177.3	0	0	0	0	0	115.4	T760	T760-G812 WeakPolarHBondContact O-CA 3.43Å; T760-G812 PolarHBondContact O-N 2.9Å
813	K	95.8	Very high	94.2	Very high	134 Å²	134	49.5 Å²	49.5	58%	0.583	25%	0.247	S	C	*	.	S	Bend	trans	-85.6	171.6	174.3	-58.2	-172.5	-163.9	114	0	111.7	S759 D811	S759-K813 VanDerWaalsContact CA-O 3.22Å; S759-K813 WeakPolarHBondContact CA-O 3.07Å; S759-K813 WeakPolarHBondContact CB-O 3.4Å; D811-K813 VanDerWaalsContact OD1-CB 3.24Å; D811-K813 WeakPolarHBondContact OD1-CB 3.11Å; D811-K813 WeakPolarHBondContact OD1-CG 3.12Å; D811-K813 PolarHBondContact OD1-N 2.92Å; D811-K813 WeakPolarHBondContact OD2-CD 3.29Å; D811-K813 WeakPolarHBondContact OD2-CE 3.05Å; D811-K813 WeakPolarHBondContact OD2-CG 3.48Å; D811-K813 IonicContact OD2-NZ 2.71Å; D811-K813 PolarHBondContact OD2-NZ 2.77Å
814	Y	95.8	Very high	94	Very high	75 Å²	75	47.7 Å²	47.7	29%	0.294	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	125.4	175.8	-169.2	-92.7	0	0	0	110.3	S715 Y716 F758 V816 S870	S715-Y814 PolarHBondContact OG-OH 2.83Å; Y716-Y814 HydrophobicContact CE2-CE1 4.29Å; F758-Y814 WeakPolarHBondContact O-CA 3.35Å; Y814-V816 HydrophobicContact CD1-CG2 4.33Å; Y814-V816 HydrophobicContact CE1-CG2 3.73Å; Y814-S870 VanDerWaalsContact OH-CB 3.24Å; Y814-S870 WeakPolarHBondContact OH-CB 3.27Å; Y814-S870 PolarHBondContact OH-OG 3.19Å; Y814-S870 VanDerWaalsContact OH-OG 3.07Å
815	H	96.9	Very high	94.1	Very high	14 Å²	14	50.7 Å²	50.7	7%	0.065	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	150.8	176.7	-67	-71.8	0	0	0	110	G757 F758 V809 D811 D831	G757-H815 CarbonylContact C-O 3.58Å; G757-H815 VanDerWaalsContact CA-O 3.29Å; G757-H815 WeakPolarHBondContact CA-O 3.37Å; F758-H815 HydrophobicContact CD1-CB 4.4Å; F758-H815 HydrophobicContact CE1-CB 3.84Å; F758-H815 HydrophobicContact CE2-CB 4.18Å; F758-H815 HydrophobicContact CZ-CB 3.72Å; F758-H815 PolarHBondContact N-O 2.83Å; F758-H815 PolarHBondContact O-N 2.94Å; V809-H815 PolarHBondContact O-CD2 3.44Å; D811-H815 IonicContact OD1-NE2 3.57Å; D811-H815 PolarHBondContact OD1-NE2 2.75Å; H815-D831 VanDerWaalsContact CA-OD1 3.24Å; H815-D831 WeakPolarHBondContact CA-OD1 3.29Å; H815-D831 IonicContact CE1-OD2 2.92Å; H815-D831 IonicContact CG-OD2 3.47Å; H815-D831 IonicContact ND1-OD1 2.77Å; H815-D831 IonicContact ND1-OD2 3.93Å; H815-D831 PolarHBondContact ND1-OD2 3.43Å
816	V	97.3	Very high	94.5	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.055	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.9	173.2	-175.5	0	0	0	0	109.1	S715 Y716 Y814 R818 V830 D831	S715-V816 VanDerWaalsContact OG-CG2 3.31Å; S715-V816 WeakPolarHBondContact OG-CG2 3.3Å; Y716-V816 HydrophobicContact CE2-CG2 4.47Å; Y814-V816 HydrophobicContact CD1-CG2 4.33Å; Y814-V816 HydrophobicContact CE1-CG2 3.73Å; V816-R818 HydrophobicContact CG1-CG 4.49Å; V816-V830 CarbonylContact O-C 3.3Å; V816-V830 WeakPolarHBondContact O-CA 3.44Å; V816-D831 PolarHBondContact N-OD1 2.66Å; V816-D831 PolarHBondContact O-N 3.47Å
817	V	97.6	Very high	95.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135	172.6	60	0	0	0	0	110.4	A755 V756 F758 L782 I789 L828 Q829 V830	A755-V817 VanDerWaalsContact CA-O 3.31Å; A755-V817 WeakPolarHBondContact CA-O 3.3Å; V756-V817 HydrophobicContact CG1-CG1 3.63Å; V756-V817 PolarHBondContact N-O 3.16Å; V756-V817 PolarHBondContact O-N 3.07Å; F758-V817 HydrophobicContact CD1-CG1 4.07Å; F758-V817 HydrophobicContact CE1-CB 4.03Å; F758-V817 HydrophobicContact CE1-CG1 3.8Å; L782-V817 HydrophobicContact CD1-CG1 4.03Å; L782-V817 HydrophobicContact CD1-CG2 4.1Å; L782-V817 HydrophobicContact CD2-CG1 3.74Å; I789-V817 HydrophobicContact CG1-CB 4.34Å; I789-V817 HydrophobicContact CG1-CG1 4.43Å; I789-V817 HydrophobicContact CG1-CG2 4.06Å; V817-L828 HydrophobicContact CG2-CD1 3.5Å; V817-Q829 WeakPolarHBondContact CA-O 3.4Å; V817-V830 HydrophobicContact CG2-CG2 4.42Å
818	R	97.8	Very high	95.4	Very high	19 Å²	19	34.6 Å²	34.6	7%	0.072	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.7	177	-57.7	178	-173	87.9	3.8	108.4	N696 M713 A755 V816 L828 Q829 D831	N696-R818 PolarHBondContact O-NH2 2.96Å; M713-R818 HydrophobicContact CE-CB 3.9Å; M713-R818 HydrophobicContact CE-CG 4.31Å; M713-R818 WeakPolarHBondContact O-CD 2.97Å; M713-R818 PolarHBondContact O-NE 3.34Å; A755-R818 HydrophobicContact CB-CG 4.5Å; V816-R818 HydrophobicContact CG1-CG 4.49Å; R818-L828 WeakPolarHBondContact O-CA 3.24Å; R818-Q829 HydrophobicContact CB-CB 4.36Å; R818-Q829 PolarHBondContact N-O 3.4Å; R818-Q829 PolarHBondContact O-N 3.04Å; R818-D831 PolarHBondContact NH1-O 3.12Å
819	F	98.1	Very high	95.5	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.7	176.3	170.7	-92.9	0	0	0	109.6	L754 L780 V791 F793 I802 R821 A826 T827 L828	L754-F819 HydrophobicContact CB-CB 4.37Å; L754-F819 HydrophobicContact CB-CD1 4.38Å; L754-F819 PolarHBondContact N-O 3.32Å; L754-F819 PolarHBondContact O-N 3.48Å; L780-F819 HydrophobicContact CD1-CD1 4.25Å; L780-F819 HydrophobicContact CD1-CE1 3.68Å; L780-F819 HydrophobicContact CG-CE1 4.24Å; V791-F819 HydrophobicContact CB-CD2 3.7Å; V791-F819 HydrophobicContact CB-CE2 3.75Å; V791-F819 HydrophobicContact CB-CG 4.38Å; V791-F819 HydrophobicContact CB-CZ 4.49Å; V791-F819 HydrophobicContact CG1-CD1 4.48Å; V791-F819 HydrophobicContact CG1-CD2 3.83Å; V791-F819 HydrophobicContact CG1-CE1 4.27Å; V791-F819 HydrophobicContact CG1-CE2 3.55Å; V791-F819 HydrophobicContact CG1-CG 4.28Å; V791-F819 HydrophobicContact CG1-CZ 3.8Å; V791-F819 HydrophobicContact CG2-CB 4.12Å; V791-F819 HydrophobicContact CG2-CD2 3.61Å; V791-F819 HydrophobicContact CG2-CE2 4.19Å; V791-F819 HydrophobicContact CG2-CG 3.92Å; F793-F819 HydrophobicContact CD1-CE2 4.31Å; F793-F819 AromaticContact CD1-CZ 3.87Å; F793-F819 HydrophobicContact CD1-CZ 3.87Å; F793-F819 HydrophobicContact CE1-CE2 4.25Å; F793-F819 AromaticContact CE1-CZ 3.95Å; F793-F819 HydrophobicContact CE1-CZ 3.95Å; I802-F819 HydrophobicContact CG2-CD2 4.18Å; I802-F819 HydrophobicContact CG2-CE2 3.88Å; F819-R821 HydrophobicContact CE1-CB 3.82Å; F819-R821 HydrophobicContact CZ-CB 3.94Å; F819-A826 HydrophobicContact CE2-CB 3.74Å; F819-A826 HydrophobicContact CZ-CB 4.03Å; F819-T827 WeakPolarHBondContact CA-O 3.44Å; F819-T827 VanDerWaalsContact CD2-O 3.28Å; F819-T827 WeakPolarHBondContact CD2-O 3.36Å; F819-L828 HydrophobicContact CB-CD1 4.28Å; F819-L828 HydrophobicContact CD2-CD1 4.47Å
820	T	97	Very high	95.5	Very high	45 Å²	45	32.9 Å²	32.9	28%	0.276	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.7	168.9	71.2	0	0	0	0	110.5	M713 D752 R753 A826 T827	M713-T820 HydrophobicContact CE-CG2 4.33Å; D752-T820 CarbonylContact O-C 3.59Å; D752-T820 VanDerWaalsContact O-CA 3.29Å; D752-T820 WeakPolarHBondContact O-CA 3.3Å; R753-T820 HydrophobicContact CG-CG2 4.14Å; T820-A826 CarbonylContact O-C 3.53Å; T820-A826 VanDerWaalsContact O-CA 3.22Å; T820-A826 WeakPolarHBondContact O-CA 3.15Å; T820-T827 PolarHBondContact N-O 3.01Å; T820-T827 VanDerWaalsContact N-O 3.09Å; T820-T827 PolarHBondContact O-N 3.06Å; T820-T827 PolarHBondContact OG1-OG1 2.83Å
821	R	96.1	Very high	95.4	Very high	5 Å²	5	33 Å²	33	2%	0.019	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.9	174.2	-172.2	-176.4	65.4	80.5	2.1	109.7	T749 R750 S751 D752 F793 F819 G823 N825 T846	T749-R821 PolarHBondContact O-NH2 2.85Å; T749-R821 PolarHBondContact OG1-NH2 3.01Å; R750-R821 PolarHBondContact O-NH1 2.88Å; R750-R821 VanDerWaalsContact O-NH1 3.13Å; S751-R821 CarbonylContact C-O 3.51Å; S751-R821 WeakPolarHBondContact CA-O 3.23Å; S751-R821 WeakPolarHBondContact CB-O 3.29Å; D752-R821 HydrophobicContact CB-CB 4.3Å; D752-R821 PolarHBondContact N-O 3.18Å; D752-R821 VanDerWaalsContact N-O 3.09Å; D752-R821 PolarHBondContact O-N 3.42Å; D752-R821 IonicContact OD1-CZ 2.79Å; D752-R821 IonicContact OD1-NE 3.75Å; D752-R821 IonicContact OD1-NH2 3.74Å; D752-R821 PolarHBondContact OD1-NH2 3.38Å; D752-R821 IonicContact OD2-CZ 3.82Å; D752-R821 VanDerWaalsContact OD2-CZ 3.31Å; D752-R821 IonicContact OD2-NE 2.75Å; D752-R821 PolarHBondContact OD2-NE 3Å; D752-R821 IonicContact OD2-NH2 3.98Å; D752-R821 PolarHBondContact OD2-NH2 3.47Å; F793-R821 VanDerWaalsContact CE2-CD 3.42Å; F793-R821 HydrophobicContact CE2-CG 4.03Å; F793-R821 HydrophobicContact CZ-CG 4.09Å; F819-R821 HydrophobicContact CE1-CB 3.82Å; F819-R821 HydrophobicContact CZ-CB 3.94Å; R821-G823 WeakPolarHBondContact CD-O 3.14Å; R821-G823 WeakPolarHBondContact CG-O 3.45Å; R821-G823 PolarHBondContact NH1-O 2.74Å; R821-N825 CarbonylContact C-O 3.48Å; R821-N825 WeakPolarHBondContact CA-O 3.3Å; R821-T846 PolarHBondContact NH1-O 3.35Å
822	N	94.3	Very high	95.2	Very high	90 Å²	90	35.7 Å²	35.7	48%	0.481	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	105.1	164	-178.2	-0.8	0	0	0	108.9	G824 N825	N822-G824 PolarHBondContact O-N 2.66Å; N822-N825 PolarHBondContact N-O 2.8Å; N822-N825 WeakPolarHBondContact O-CB 3.32Å; N822-N825 PolarHBondContact O-N 3.05Å; N822-N825 VanDerWaalsContact O-N 3.09Å
823	G	92	Very high	95.3	Very high	3 Å²	3	36.7 Å²	36.7	3%	0.031	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	-128.7	-167.1	0	0	0	0	0	111.1	R750 I795 R821	R750-G823 PolarHBondContact O-N 3.28Å; I795-G823 WeakPolarHBondContact CD1-O 3.45Å; R821-G823 WeakPolarHBondContact CD-O 3.14Å; R821-G823 WeakPolarHBondContact CG-O 3.45Å; R821-G823 PolarHBondContact NH1-O 2.74Å
824	G	89.1	Confident	95.1	Very high	5 Å²	5	35.3 Å²	35.3	5%	0.052	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-13.4	170.2	0	0	0	0	0	114.4	N822 P840	N822-G824 PolarHBondContact O-N 2.66Å; G824-P840 VanDerWaalsContact O-CD 3.24Å; G824-P840 WeakPolarHBondContact O-CD 3.47Å; G824-P840 VanDerWaalsContact O-CG 3.23Å; G824-P840 WeakPolarHBondContact O-CG 3.27Å
825	N	93.6	Very high	95	Very high	71 Å²	71	35 Å²	35	38%	0.38	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	140.8	178.7	-60.6	-12	0	0	0	109.5	R821 N822 H838 Y839	R821-N825 CarbonylContact C-O 3.48Å; R821-N825 WeakPolarHBondContact CA-O 3.3Å; N822-N825 PolarHBondContact N-O 2.8Å; N822-N825 WeakPolarHBondContact O-CB 3.32Å; N822-N825 PolarHBondContact O-N 3.05Å; N822-N825 VanDerWaalsContact O-N 3.09Å; N825-H838 WeakPolarHBondContact CA-O 3.4Å; N825-Y839 HydrophobicContact CB-CD1 4.11Å; N825-Y839 HydrophobicContact CB-CE1 4.32Å
826	A	96.4	Very high	94.8	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.033	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	153.9	179.6	0	0	0	0	0	112.7	F793 I802 F819 T820 H838	F793-A826 HydrophobicContact CE1-CB 3.68Å; F793-A826 HydrophobicContact CZ-CB 3.94Å; I802-A826 HydrophobicContact CG2-CB 4.44Å; F819-A826 HydrophobicContact CE2-CB 3.74Å; F819-A826 HydrophobicContact CZ-CB 4.03Å; T820-A826 CarbonylContact O-C 3.53Å; T820-A826 VanDerWaalsContact O-CA 3.22Å; T820-A826 WeakPolarHBondContact O-CA 3.15Å; A826-H838 PolarHBondContact N-O 2.8Å; A826-H838 PolarHBondContact O-N 2.74Å
827	T	96.4	Very high	94.6	Very high	33 Å²	33	42.1 Å²	42.1	20%	0.202	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.5	170	79.4	0	0	0	0	111.1	F819 T820 V835 N836 E837	F819-T827 WeakPolarHBondContact CA-O 3.44Å; F819-T827 VanDerWaalsContact CD2-O 3.28Å; F819-T827 WeakPolarHBondContact CD2-O 3.36Å; T820-T827 PolarHBondContact N-O 3.01Å; T820-T827 VanDerWaalsContact N-O 3.09Å; T820-T827 PolarHBondContact O-N 3.06Å; T820-T827 PolarHBondContact OG1-OG1 2.83Å; T827-V835 HydrophobicContact CG2-CG1 4.23Å; T827-N836 CarbonylContact C-O 3.54Å; T827-N836 WeakPolarHBondContact CA-O 3.27Å; T827-E837 HydrophobicContact CG2-CG 4.14Å
828	L	96.9	Very high	94.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	122.5	177.2	-175.9	70.2	0	0	0	109.4	V791 I802 V817 R818 F819 N836	V791-L828 HydrophobicContact CG2-CD1 4.04Å; I802-L828 HydrophobicContact CD1-CB 3.72Å; I802-L828 HydrophobicContact CG1-CB 3.85Å; I802-L828 HydrophobicContact CG1-CD2 4.47Å; I802-L828 HydrophobicContact CG2-CB 4.1Å; I802-L828 HydrophobicContact CG2-CD2 4.5Å; V817-L828 HydrophobicContact CG2-CD1 3.5Å; R818-L828 WeakPolarHBondContact O-CA 3.24Å; F819-L828 HydrophobicContact CB-CD1 4.28Å; F819-L828 HydrophobicContact CD2-CD1 4.47Å; L828-N836 PolarHBondContact N-O 2.73Å; L828-N836 WeakPolarHBondContact O-CB 3.48Å; L828-N836 PolarHBondContact O-N 2.81Å
829	Q	96.1	Very high	94	Very high	34 Å²	34	50.9 Å²	50.9	16%	0.159	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.7	174.9	-164.4	-167.3	20.8	0	0	109.8	V817 R818 W833 V835	V817-Q829 WeakPolarHBondContact CA-O 3.4Å; R818-Q829 HydrophobicContact CB-CB 4.36Å; R818-Q829 PolarHBondContact N-O 3.4Å; R818-Q829 PolarHBondContact O-N 3.04Å; Q829-W833 WeakPolarHBondContact CG-O 3.12Å; Q829-W833 PolarHBondContact NE2-O 3.26Å; Q829-W833 VanDerWaalsContact NE2-O 3.16Å; Q829-V835 HydrophobicContact CB-CG2 4.25Å; Q829-V835 HydrophobicContact CG-CG2 4.08Å
830	V	96.2	Very high	93.5	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.1	173.3	-172.6	0	0	0	0	108	I789 E804 V809 V816 V817 N832 W833	I789-V830 HydrophobicContact CG2-CG2 3.42Å; I789-V830 VanDerWaalsContact CG2-CG2 3.42Å; E804-V830 HydrophobicContact CB-CG2 4.31Å; E804-V830 HydrophobicContact CG-CG2 4.41Å; V809-V830 HydrophobicContact CG1-CG1 4.06Å; V816-V830 CarbonylContact O-C 3.3Å; V816-V830 WeakPolarHBondContact O-CA 3.44Å; V817-V830 HydrophobicContact CG2-CG2 4.42Å; V830-N832 PolarHBondContact O-N 2.92Å; V830-W833 HydrophobicContact CB-CD2 4.2Å; V830-W833 HydrophobicContact CB-CE3 3.6Å; V830-W833 HydrophobicContact CB-CZ3 3.78Å; V830-W833 HydrophobicContact CG1-CE3 4.04Å; V830-W833 HydrophobicContact CG1-CH2 4.07Å; V830-W833 HydrophobicContact CG1-CZ3 3.76Å; V830-W833 HydrophobicContact CG2-CE3 4.26Å; V830-W833 HydrophobicContact CG2-CZ3 4.26Å; V830-W833 VanDerWaalsContact O-CB 3.24Å; V830-W833 WeakPolarHBondContact O-CB 3.46Å; V830-W833 PolarHBondContact O-N 2.77Å
831	D	93.5	Very high	92.8	Very high	36 Å²	36	56.2 Å²	56.2	19%	0.193	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	-121.3	-178.3	-56.2	-29.2	0	0	0	112.3	Q697 H815 V816 R818	Q697-D831 PolarHBondContact NE2-O 2.75Å; H815-D831 VanDerWaalsContact CA-OD1 3.24Å; H815-D831 WeakPolarHBondContact CA-OD1 3.29Å; H815-D831 IonicContact CE1-OD2 2.92Å; H815-D831 IonicContact CG-OD2 3.47Å; H815-D831 IonicContact ND1-OD1 2.77Å; H815-D831 IonicContact ND1-OD2 3.93Å; H815-D831 PolarHBondContact ND1-OD2 3.43Å; V816-D831 PolarHBondContact N-OD1 2.66Å; V816-D831 PolarHBondContact O-N 3.47Å; R818-D831 PolarHBondContact NH1-O 3.12Å
832	N	90.3	Very high	91.9	Very high	132 Å²	132	59.1 Å²	59.1	71%	0.706	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	17.8	175.8	-61	-9	0	0	0	112	Q697 V830	Q697-N832 PolarHBondContact NE2-OD1 2.78Å; V830-N832 PolarHBondContact O-N 2.92Å
833	W	93.9	Very high	91.1	Very high	61 Å²	61	66.3 Å²	66.3	23%	0.231	35%	0.35	C	S	.	.	S	Bend	trans	-73.4	160.1	179.3	-56.8	-12.1	0	0	0	110.7	E804 T807 V809 Q829 V830	E804-W833 HydrophobicContact CG-CE3 3.75Å; E804-W833 HydrophobicContact CG-CZ3 3.62Å; T807-W833 VanDerWaalsContact CB-CH2 3.43Å; T807-W833 HydrophobicContact CG2-CH2 3.38Å; T807-W833 HydrophobicContact CG2-CZ2 3.62Å; T807-W833 HydrophobicContact CG2-CZ3 4.1Å; V809-W833 HydrophobicContact CG1-CH2 3.87Å; V809-W833 HydrophobicContact CG1-CZ3 4.13Å; Q829-W833 WeakPolarHBondContact CG-O 3.12Å; Q829-W833 PolarHBondContact NE2-O 3.26Å; Q829-W833 VanDerWaalsContact NE2-O 3.16Å; V830-W833 HydrophobicContact CB-CD2 4.2Å; V830-W833 HydrophobicContact CB-CE3 3.6Å; V830-W833 HydrophobicContact CB-CZ3 3.78Å; V830-W833 HydrophobicContact CG1-CE3 4.04Å; V830-W833 HydrophobicContact CG1-CH2 4.07Å; V830-W833 HydrophobicContact CG1-CZ3 3.76Å; V830-W833 HydrophobicContact CG2-CE3 4.26Å; V830-W833 HydrophobicContact CG2-CZ3 4.26Å; V830-W833 VanDerWaalsContact O-CB 3.24Å; V830-W833 WeakPolarHBondContact O-CB 3.46Å; V830-W833 PolarHBondContact O-N 2.77Å
834	P	92.4	Very high	90.6	Very high	104 Å²	104	68.4 Å²	68.4	68%	0.675	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-54.4	144.4	173.4	-25.4	35.6	0	0	0	111.5	N836	P834-N836 PolarHBondContact O-N 2.88Å
835	V	92.2	Very high	90.6	Very high	69 Å²	69	72.4 Å²	72.4	42%	0.418	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-68.3	122.3	175	-178	0	0	0	0	108.5	T827 Q829 E837	T827-V835 HydrophobicContact CG2-CG1 4.23Å; Q829-V835 HydrophobicContact CB-CG2 4.25Å; Q829-V835 HydrophobicContact CG-CG2 4.08Å; V835-E837 HydrophobicContact CG1-CG 4.19Å
836	N	92.8	Very high	90.5	Very high	51 Å²	51	71.7 Å²	71.7	27%	0.273	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	131	167.1	-64	-65.7	0	0	0	108.1	I802 E804 T827 L828 P834	I802-N836 HydrophobicContact CD1-CB 4.28Å; I802-N836 WeakPolarHBondContact CD1-O 3.29Å; E804-N836 PolarHBondContact OE2-ND2 3.42Å; T827-N836 CarbonylContact C-O 3.54Å; T827-N836 WeakPolarHBondContact CA-O 3.27Å; L828-N836 PolarHBondContact N-O 2.73Å; L828-N836 WeakPolarHBondContact O-CB 3.48Å; L828-N836 PolarHBondContact O-N 2.81Å; P834-N836 PolarHBondContact O-N 2.88Å
837	E	93.4	Very high	90.4	Very high	122 Å²	122	74.9 Å²	74.9	57%	0.57	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	138.6	178.6	-58.1	-176.9	140.4	0	0	109.8	T827 V835 Y839	T827-E837 HydrophobicContact CG2-CG 4.14Å; V835-E837 HydrophobicContact CG1-CG 4.19Å; E837-Y839 HydrophobicContact CB-CD2 4.47Å; E837-Y839 HydrophobicContact CB-CE2 3.68Å; E837-Y839 PolarHBondContact OE2-OH 3.34Å
838	H	91.9	Very high	90.4	Very high	67 Å²	67	73.3 Å²	73.3	31%	0.31	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	123.9	177.4	-172	78.7	0	0	0	111.2	I802 N825 A826	I802-H838 HydrophobicContact CB-CB 4.32Å; I802-H838 HydrophobicContact CD1-CB 3.82Å; I802-H838 HydrophobicContact CG1-CB 4.21Å; N825-H838 WeakPolarHBondContact CA-O 3.4Å; A826-H838 PolarHBondContact N-O 2.8Å; A826-H838 PolarHBondContact O-N 2.74Å
839	Y	91.3	Very high	90.3	Very high	135 Å²	135	75.9 Å²	75.9	53%	0.529	40%	0.396	S	S	.	.			trans	-120.5	93.3	-179.2	-60.4	-76.9	0	0	0	108.9	N825 E837	N825-Y839 HydrophobicContact CB-CD1 4.11Å; N825-Y839 HydrophobicContact CB-CE1 4.32Å; E837-Y839 HydrophobicContact CB-CD2 4.47Å; E837-Y839 HydrophobicContact CB-CE2 3.68Å; E837-Y839 PolarHBondContact OE2-OH 3.34Å
840	P	87.9	Confident	90.2	Very high	25 Å²	25	76.5 Å²	76.5	16%	0.162	40%	0.403	C	S	.	.			trans	-68	134.4	-178.3	28.3	-35	0	0	0	111	I800 G824 Q844	I800-P840 HydrophobicContact CD1-CB 4.46Å; I800-P840 HydrophobicContact CD1-CG 4.06Å; I800-P840 HydrophobicContact CG1-CB 4.45Å; G824-P840 VanDerWaalsContact O-CD 3.24Å; G824-P840 WeakPolarHBondContact O-CD 3.47Å; G824-P840 VanDerWaalsContact O-CG 3.23Å; G824-P840 WeakPolarHBondContact O-CG 3.27Å; P840-Q844 HydrophobicContact CB-CG 4.28Å; P840-Q844 HydrophobicContact CG-CG 4.02Å
841	T	81.2	Confident	90.3	Very high	133 Å²	133	76.6 Å²	76.6	82%	0.816	40%	0.403	S	S	*	.			trans	-80.2	153.4	177.5	54.2	0	0	0	0	112.1	Q844	T841-Q844 PolarHBondContact O-NE2 3.02Å
842	G	78.8	Confident	90.4	Very high	67 Å²	67	75.1 Å²	75.1	69%	0.691	40%	0.396	S	S	*	.	S	Bend	trans	92.9	-177.7	178.1	0	0	0	0	0	114.1	Q844	G842-Q844 PolarHBondContact O-N 3.1Å
843	R	77.4	Confident	90.8	Very high	241 Å²	241	72.6 Å²	72.6	91%	0.909	38%	0.38	S	S	*	.			trans	-77.4	104.9	-179.2	-177	-179.4	-179.5	179.6	0.3	110
844	Q	80.9	Confident	91	Very high	46 Å²	46	69.7 Å²	69.7	22%	0.215	37%	0.369	C	S	.	.			trans	-99.2	147	173.8	-56.1	-55.9	-24.9	0	0	111.5	T797 P840 T841 G842	T797-Q844 PolarHBondContact OG1-OE1 3.21Å; P840-Q844 HydrophobicContact CB-CG 4.28Å; P840-Q844 HydrophobicContact CG-CG 4.02Å; T841-Q844 PolarHBondContact O-NE2 3.02Å; G842-Q844 PolarHBondContact O-N 3.1Å
845	L	88.9	Confident	91.2	Very high	89 Å²	89	64.9 Å²	64.9	47%	0.466	34%	0.338	S	S	.	.			trans	-73.5	166.8	159.7	-69.4	-178.4	0	0	0	109.5	I795 G796 T797	I795-L845 VanDerWaalsContact CD1-O 3.22Å; I795-L845 WeakPolarHBondContact CD1-O 3.25Å; I795-L845 WeakPolarHBondContact O-CB 3.34Å; G796-L845 WeakPolarHBondContact O-CD1 3.31Å; T797-L845 HydrophobicContact CG2-CB 4.01Å; T797-L845 HydrophobicContact CG2-CD1 4.33Å; T797-L845 HydrophobicContact CG2-CG 3.83Å
846	T	91.6	Very high	91.5	Very high	56 Å²	56	61.6 Å²	61.6	34%	0.344	32%	0.318	S	S	.	.			trans	-127.9	-14.7	-168	54.2	0	0	0	0	115.1	R750 R821	R750-T846 WeakPolarHBondContact CA-O 3.16Å; R821-T846 PolarHBondContact NH1-O 3.35Å
847	I	94.6	Very high	91.6	Very high	71 Å²	71	59.2 Å²	59.2	36%	0.364	31%	0.305	S	S	.	.			trans	-108.5	128	-172.6	-55.3	176.5	0	0	0	108.9	T749 N849	T749-I847 CarbonylContact O-C 3.58Å; T749-I847 WeakPolarHBondContact O-CA 3.44Å; I847-N849 WeakPolarHBondContact CG2-OD1 3.26Å; I847-N849 PolarHBondContact O-ND2 3.34Å
848	F	96.8	Very high	91.6	Very high	1 Å²	1	53.4 Å²	53.4	0%	0.004	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-84.2	109.8	163	-177.7	-177.8	0	0	0	106.9	S748 T749 I770 D778 L780 I795 Q851	S748-F848 CarbonylContact C-O 3.47Å; S748-F848 VanDerWaalsContact CA-O 3.27Å; S748-F848 WeakPolarHBondContact CA-O 3.39Å; T749-F848 PolarHBondContact N-O 2.83Å; T749-F848 PolarHBondContact O-N 2.87Å; I770-F848 HydrophobicContact CB-CE1 4.04Å; I770-F848 HydrophobicContact CB-CZ 4.07Å; I770-F848 HydrophobicContact CG2-CE1 3.79Å; I770-F848 HydrophobicContact CG2-CZ 3.69Å; D778-F848 HydrophobicContact CB-CD2 3.4Å; D778-F848 HydrophobicContact CB-CE2 3.6Å; L780-F848 HydrophobicContact CB-CE1 3.85Å; I795-F848 HydrophobicContact CG2-CB 3.8Å; I795-F848 HydrophobicContact CG2-CG 4.4Å; F848-Q851 HydrophobicContact CD1-CG 3.92Å; F848-Q851 HydrophobicContact CD2-CG 3.97Å; F848-Q851 HydrophobicContact CE1-CG 3.89Å; F848-Q851 HydrophobicContact CE2-CG 3.94Å; F848-Q851 HydrophobicContact CG-CG 3.98Å; F848-Q851 HydrophobicContact CZ-CG 3.91Å
849	N	93.7	Very high	91.6	Very high	53 Å²	53	53.8 Å²	53.8	28%	0.283	28%	0.279	S	S	.	.			trans	-89.5	133.7	-167	-57.9	-82.2	0	0	0	112.7	S772 L776 D778 I847 Q851	S772-N849 WeakPolarHBondContact CB-O 3.26Å; L776-N849 HydrophobicContact CD1-CB 4.11Å; D778-N849 WeakPolarHBondContact OD2-CB 3.36Å; D778-N849 PolarHBondContact OD2-N 2.89Å; D778-N849 PolarHBondContact OD2-ND2 3.25Å; I847-N849 WeakPolarHBondContact CG2-OD1 3.26Å; I847-N849 PolarHBondContact O-ND2 3.34Å; N849-Q851 PolarHBondContact O-N 2.92Å
850	T	94.6	Very high	91.5	Very high	48 Å²	48	50.6 Å²	50.6	29%	0.294	27%	0.271	S	S	.	.			trans	50	55.2	163.8	-40.7	0	0	0	0	112.7	R746 P747 S748 S772 A773 A852	R746-T850 HydrophobicContact CB-CG2 3.81Å; R746-T850 HydrophobicContact CG-CG2 4.43Å; P747-T850 WeakPolarHBondContact O-CA 3.22Å; P747-T850 PolarHBondContact O-N 2.82Å; S748-T850 PolarHBondContact OG-N 2.76Å; S772-T850 CarbonylContact C-O 3.56Å; A773-T850 HydrophobicContact CB-CG2 3.79Å; A773-T850 PolarHBondContact N-O 3.07Å; T850-A852 PolarHBondContact O-N 2.81Å
851	Q	97.4	Very high	91.7	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	129.6	-179.3	-53.9	177.1	12.9	0	0	110.3	W741 R746 P747 T749 I770 F848 N849 Y874	W741-Q851 HydrophobicContact CE3-CB 4.43Å; W741-Q851 HydrophobicContact CH2-CB 4.13Å; W741-Q851 HydrophobicContact CZ3-CB 3.99Å; R746-Q851 VanDerWaalsContact CB-O 3.26Å; R746-Q851 WeakPolarHBondContact CB-O 3.43Å; R746-Q851 VanDerWaalsContact CG-O 3.31Å; R746-Q851 WeakPolarHBondContact CG-O 3.41Å; P747-Q851 HydrophobicContact CG-CB 4.02Å; P747-Q851 HydrophobicContact CG-CG 4.28Å; P747-Q851 WeakPolarHBondContact O-CG 3.16Å; P747-Q851 PolarHBondContact O-N 3.39Å; T749-Q851 PolarHBondContact OG1-NE2 3.09Å; I770-Q851 HydrophobicContact CG2-CB 4.15Å; I770-Q851 HydrophobicContact CG2-CG 4.37Å; F848-Q851 HydrophobicContact CD1-CG 3.92Å; F848-Q851 HydrophobicContact CD2-CG 3.97Å; F848-Q851 HydrophobicContact CE1-CG 3.89Å; F848-Q851 HydrophobicContact CE2-CG 3.94Å; F848-Q851 HydrophobicContact CG-CG 3.98Å; F848-Q851 HydrophobicContact CZ-CG 3.91Å; N849-Q851 PolarHBondContact O-N 2.92Å; Q851-Y874 VanDerWaalsContact CD-OH 3.3Å; Q851-Y874 PolarHBondContact NE2-OH 3.19Å; Q851-Y874 VanDerWaalsContact NE2-OH 3.1Å; Q851-Y874 VanDerWaalsContact OE1-CE1 3.24Å; Q851-Y874 PolarHBondContact OE1-OH 2.94Å
852	A	96.8	Very high	92.1	Very high	5 Å²	5	50 Å²	50	4%	0.041	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	-33.3	-168.7	0	0	0	0	0	114	W741 D771 A773 T850	W741-A852 PolarHBondContact N-O 2.89Å; D771-A852 PolarHBondContact O-N 3.05Å; A773-A852 HydrophobicContact CB-CB 4.42Å; T850-A852 PolarHBondContact O-N 2.81Å
853	Q	97.5	Very high	92.8	Very high	80 Å²	80	50.5 Å²	50.5	37%	0.374	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	145.8	-176.7	-67.3	-173.9	-26.2	0	0	112.7	L738 Y739 T740 I770 D771	L738-Q853 HydrophobicContact CD1-CB 4.08Å; L738-Q853 HydrophobicContact CD1-CG 4.45Å; Y739-Q853 CarbonylContact O-C 3.29Å; Y739-Q853 VanDerWaalsContact O-CA 3.28Å; Y739-Q853 WeakPolarHBondContact O-CA 3.34Å; T740-Q853 HydrophobicContact CG2-CG 4.13Å; T740-Q853 PolarHBondContact OG1-NE2 3.11Å; I770-Q853 VanDerWaalsContact CA-O 3.27Å; I770-Q853 WeakPolarHBondContact CA-O 3.36Å; D771-Q853 PolarHBondContact N-O 3.42Å; D771-Q853 PolarHBondContact O-N 2.88Å
854	I	98.4	Very high	93.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	113.2	165.4	-49.4	175.9	0	0	0	107.8	L738 Y739 W741 V768 R769 I770 I856 Y874 L877 V879	L738-I854 WeakPolarHBondContact CA-O 3.24Å; Y739-I854 HydrophobicContact CD1-CD1 3.97Å; Y739-I854 HydrophobicContact CD1-CG1 4.12Å; Y739-I854 PolarHBondContact N-O 3.07Å; Y739-I854 PolarHBondContact O-N 2.83Å; W741-I854 HydrophobicContact CH2-CD1 3.6Å; W741-I854 HydrophobicContact CH2-CG1 3.47Å; W741-I854 VanDerWaalsContact CH2-CG1 3.47Å; W741-I854 HydrophobicContact CZ2-CD1 4.16Å; W741-I854 HydrophobicContact CZ2-CG1 4.44Å; W741-I854 HydrophobicContact CZ3-CD1 4.11Å; W741-I854 HydrophobicContact CZ3-CG1 3.5Å; V768-I854 HydrophobicContact CG1-CG2 3.79Å; R769-I854 CarbonylContact O-C 3.39Å; R769-I854 WeakPolarHBondContact O-CA 3.48Å; I770-I854 HydrophobicContact CG1-CB 4.44Å; I770-I854 HydrophobicContact CG1-CG1 3.96Å; I770-I854 HydrophobicContact CG1-CG2 4.19Å; I854-I856 HydrophobicContact CG2-CG1 4.16Å; I854-Y874 HydrophobicContact CD1-CD1 3.75Å; I854-Y874 HydrophobicContact CD1-CE1 4.47Å; I854-Y874 HydrophobicContact CD1-CG 4.41Å; I854-L877 HydrophobicContact CD1-CD1 4.23Å; I854-V879 HydrophobicContact CD1-CG2 3.81Å
855	A	98	Very high	94.4	Very high	3 Å²	3	40.2 Å²	40.2	3%	0.025	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128	176.6	0	0	0	0	0	110.5	L736 L738 V768 R769	L736-A855 HydrophobicContact CD1-CB 4.1Å; L738-A855 HydrophobicContact CD1-CB 3.97Å; V768-A855 CarbonylContact C-O 3.54Å; V768-A855 WeakPolarHBondContact CA-O 3.39Å; R769-A855 PolarHBondContact N-O 2.74Å; R769-A855 PolarHBondContact O-N 2.83Å
856	I	98.5	Very high	94.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.7	-174.5	-52.7	162.1	0	0	0	109	F730 L736 I737 L767 V768 I854 L869 L872 V879 L880	F730-I856 WeakPolarHBondContact CE1-O 3.46Å; F730-I856 HydrophobicContact CE2-CG2 4.48Å; F730-I856 HydrophobicContact CZ-CG2 3.83Å; L736-I856 VanDerWaalsContact CA-O 3.32Å; L736-I856 WeakPolarHBondContact CA-O 3.27Å; I737-I856 HydrophobicContact CB-CB 4.14Å; I737-I856 HydrophobicContact CB-CD1 4.1Å; I737-I856 HydrophobicContact CG2-CD1 4.13Å; I737-I856 PolarHBondContact N-O 3.22Å; I737-I856 PolarHBondContact O-N 3Å; L767-I856 CarbonylContact O-C 3.53Å; L767-I856 WeakPolarHBondContact O-CA 3.21Å; L767-I856 WeakPolarHBondContact O-CG2 3.16Å; V768-I856 HydrophobicContact CG2-CG2 4.47Å; I854-I856 HydrophobicContact CG2-CG1 4.16Å; I856-L869 HydrophobicContact CG2-CD1 3.39Å; I856-L872 HydrophobicContact CD1-CD2 3.41Å; I856-L872 VanDerWaalsContact CD1-CD2 3.41Å; I856-L872 HydrophobicContact CG1-CD2 3.78Å; I856-V879 HydrophobicContact CD1-CB 4.35Å; I856-V879 HydrophobicContact CD1-CG1 3.8Å; I856-L880 HydrophobicContact CD1-CD2 4.16Å
857	G	95.1	Very high	94.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	105.3	-5.5	179.1	0	0	0	0	0	116	I766 L767 K859 F865	I766-G857 CarbonylContact O-C 3.6Å; I766-G857 VanDerWaalsContact O-C 3.29Å; L767-G857 PolarHBondContact O-N 3.38Å; G857-K859 VanDerWaalsContact C-N 3.25Å; G857-K859 PolarHBondContact O-N 2.91Å; G857-K859 VanDerWaalsContact O-N 3.14Å; G857-F865 PolarHBondContact O-N 3.46Å
858	G	92.4	Very high	95	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	72.1	5.5	166.2	0	0	0	0	0	117.2	I766 D860 K861 G862 R863	I766-G858 WeakPolarHBondContact O-CA 3.47Å; I766-G858 PolarHBondContact O-N 3.05Å; G858-D860 PolarHBondContact O-N 3.36Å; G858-K861 PolarHBondContact O-N 3.17Å; G858-G862 PolarHBondContact O-N 2.7Å; G858-R863 CarbonylContact O-C 3.51Å; G858-R863 PolarHBondContact O-N 3.47Å; G858-R863 VanDerWaalsContact O-N 3.16Å
859	K	91.7	Very high	95.1	Very high	75 Å²	75	37.5 Å²	37.5	33%	0.326	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-65.4	-35.3	-177.2	-175.9	175.2	-169.4	160.5	0	114.1	G734 G735 L736 G857 K861 G862 L864	G734-K859 PolarHBondContact O-NZ 2.6Å; G735-K859 WeakPolarHBondContact O-CB 3.39Å; L736-K859 HydrophobicContact CB-CB 4.19Å; L736-K859 HydrophobicContact CB-CD 4.44Å; G857-K859 VanDerWaalsContact C-N 3.25Å; G857-K859 PolarHBondContact O-N 2.91Å; G857-K859 VanDerWaalsContact O-N 3.14Å; K859-K861 VanDerWaalsContact C-N 3.31Å; K859-K861 PolarHBondContact O-N 2.84Å; K859-G862 PolarHBondContact O-N 2.92Å; K859-L864 HydrophobicContact CB-CD2 3.98Å; K859-L864 HydrophobicContact CG-CD2 4.08Å
860	D	89.3	Confident	95.2	Very high	68 Å²	68	35 Å²	35	36%	0.364	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-66.6	-27.4	177	62.1	-50.4	0	0	0	113.4	L736 G858	L736-D860 HydrophobicContact CD1-CB 4.28Å; L736-D860 HydrophobicContact CD2-CB 4.13Å; G858-D860 PolarHBondContact O-N 3.36Å
861	K	91.4	Very high	95.3	Very high	85 Å²	85	33.3 Å²	33.3	37%	0.37	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-106.4	9.6	177.2	-48.7	-64.2	163.7	148.8	0	113.5	I766 D771 G858 K859 R863	I766-K861 HydrophobicContact CD1-CB 3.8Å; I766-K861 HydrophobicContact CD1-CG 4.25Å; D771-K861 IonicContact OD1-NZ 3.64Å; D771-K861 WeakPolarHBondContact OD2-CE 3.26Å; D771-K861 IonicContact OD2-NZ 2.94Å; D771-K861 PolarHBondContact OD2-NZ 2.99Å; G858-K861 PolarHBondContact O-N 3.17Å; K859-K861 VanDerWaalsContact C-N 3.31Å; K859-K861 PolarHBondContact O-N 2.84Å; K861-R863 PolarHBondContact O-N 3.33Å
862	G	90.1	Very high	95.3	Very high	61 Å²	61	33.3 Å²	33.3	63%	0.629	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	2.1	177.1	0	0	0	0	0	116.6	G858 K859	G858-G862 PolarHBondContact O-N 2.7Å; K859-G862 PolarHBondContact O-N 2.92Å
863	R	94.3	Very high	95.3	Very high	77 Å²	77	34.4 Å²	34.4	29%	0.291	18%	0.182	S	C	.	.			trans	-106.5	77.5	176.6	-71.7	179.3	63.3	169.4	2.3	109.8	I766 I784 G858 K861 F865	I766-R863 HydrophobicContact CD1-CB 3.89Å; I766-R863 HydrophobicContact CD1-CG 4.41Å; I766-R863 HydrophobicContact CG1-CB 3.92Å; I766-R863 PolarHBondContact N-O 2.77Å; I784-R863 PolarHBondContact O-NH2 3.09Å; I784-R863 VanDerWaalsContact O-NH2 3.15Å; G858-R863 CarbonylContact O-C 3.51Å; G858-R863 PolarHBondContact O-N 3.47Å; G858-R863 VanDerWaalsContact O-N 3.16Å; K861-R863 PolarHBondContact O-N 3.33Å; R863-F865 PolarHBondContact O-N 2.8Å
864	L	94.5	Very high	95.4	Very high	71 Å²	71	30.6 Å²	30.6	37%	0.372	17%	0.165	S	C	.	.			trans	-59.3	130.2	-172.9	-50.1	-173.8	0	0	0	112.2	K859	K859-L864 HydrophobicContact CB-CD2 3.98Å; K859-L864 HydrophobicContact CG-CD2 4.08Å
865	F	96.1	Very high	95.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.			trans	-86	137.5	160.1	179.7	-98.1	0	0	0	110.2	F730 F758 T760 V762 I766 L767 I784 G857 R863 L869	F730-F865 HydrophobicContact CB-CD1 4.04Å; F730-F865 HydrophobicContact CD2-CD1 4.3Å; F730-F865 HydrophobicContact CG-CD1 4.14Å; F758-F865 HydrophobicContact CB-CZ 4.38Å; T760-F865 HydrophobicContact CG2-CE2 3.94Å; V762-F865 HydrophobicContact CG2-CD2 4.44Å; I766-F865 WeakPolarHBondContact O-CB 3.37Å; L767-F865 HydrophobicContact CD1-CD2 3.54Å; L767-F865 HydrophobicContact CD1-CE2 3.86Å; L767-F865 HydrophobicContact CD1-CG 4.43Å; L767-F865 HydrophobicContact CD2-CE2 4.22Å; L767-F865 HydrophobicContact CG-CD2 3.68Å; L767-F865 HydrophobicContact CG-CE2 3.77Å; L767-F865 HydrophobicContact CG-CG 4.3Å; L767-F865 HydrophobicContact CG-CZ 4.49Å; I784-F865 HydrophobicContact CD1-CE2 4.45Å; G857-F865 PolarHBondContact O-N 3.46Å; R863-F865 PolarHBondContact O-N 2.8Å; F865-L869 HydrophobicContact CD1-CD1 4.2Å; F865-L869 HydrophobicContact CD1-CD2 4.27Å; F865-L869 HydrophobicContact CD1-CG 4.05Å; F865-L869 HydrophobicContact CE1-CD1 4.24Å; F865-L869 HydrophobicContact CE1-CD2 3.64Å; F865-L869 HydrophobicContact CE1-CG 3.59Å; F865-L869 HydrophobicContact CE2-CD2 4.36Å; F865-L869 HydrophobicContact CZ-CD2 3.69Å; F865-L869 HydrophobicContact CZ-CG 4.17Å
866	Q	96.1	Very high	94.8	Very high	71 Å²	71	35.5 Å²	35.5	33%	0.332	20%	0.202	S	C	.	.			trans	-129.9	127.8	170.5	-174.5	-160.3	-42.1	0	0	107.9	F730 T760 V762	F730-Q866 WeakPolarHBondContact O-CA 3.36Å; F730-Q866 WeakPolarHBondContact O-CG 3.33Å; T760-Q866 WeakPolarHBondContact CB-O 3.44Å; T760-Q866 PolarHBondContact OG1-O 2.93Å; V762-Q866 HydrophobicContact CG1-CB 3.85Å
867	G	95.3	Very high	94.6	Very high	16 Å²	16	37.4 Å²	37.4	17%	0.165	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.2	-157.2	-171.3	0	0	0	0	0	111.8	F730 S759	F730-G867 PolarHBondContact N-O 2.73Å; F730-G867 PolarHBondContact O-N 3.01Å; F730-G867 VanDerWaalsContact O-N 3.08Å; S759-G867 CarbonylContact O-C 3.6Å; S759-G867 WeakPolarHBondContact O-CA 3.44Å
868	Q	97.1	Very high	94.7	Very high	72 Å²	72	42.2 Å²	42.2	34%	0.336	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	143	172.8	-41.9	-167.7	-7.5	0	0	109.8	T727 Y728 I729 F758 S759	T727-Q868 HydrophobicContact CG2-CB 4.27Å; Y728-Q868 WeakPolarHBondContact O-CA 3.49Å; I729-Q868 HydrophobicContact CG1-CG 4.06Å; F758-Q868 WeakPolarHBondContact CA-O 3.29Å; S759-Q868 PolarHBondContact N-O 2.79Å; S759-Q868 PolarHBondContact O-N 2.88Å; S759-Q868 WeakPolarHBondContact OG-CB 3.46Å; S759-Q868 VanDerWaalsContact OG-CG 3.3Å; S759-Q868 WeakPolarHBondContact OG-CG 3.22Å
869	L	98.1	Very high	94.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.8	166	-62.9	179	0	0	0	108.7	T727 Y728 F730 V756 G757 F758 L767 I856 F865 L880	T727-L869 CarbonylContact C-O 3.54Å; T727-L869 WeakPolarHBondContact CA-O 3.32Å; Y728-L869 PolarHBondContact N-O 3.02Å; Y728-L869 PolarHBondContact O-N 2.97Å; F730-L869 HydrophobicContact CD2-CD1 4.25Å; F730-L869 HydrophobicContact CD2-CG 4.27Å; F730-L869 HydrophobicContact CE2-CB 4.17Å; F730-L869 HydrophobicContact CE2-CD1 3.77Å; F730-L869 HydrophobicContact CE2-CG 4.08Å; F730-L869 HydrophobicContact CZ-CD1 4.15Å; V756-L869 HydrophobicContact CG2-CB 4.47Å; V756-L869 HydrophobicContact CG2-CD2 4.35Å; G757-L869 CarbonylContact O-C 3.59Å; G757-L869 WeakPolarHBondContact O-CA 3.46Å; F758-L869 HydrophobicContact CB-CD2 3.59Å; L767-L869 HydrophobicContact CB-CD2 4.38Å; L767-L869 HydrophobicContact CD2-CD2 3.93Å; L767-L869 HydrophobicContact CG-CD2 4.03Å; I856-L869 HydrophobicContact CG2-CD1 3.39Å; F865-L869 HydrophobicContact CD1-CD1 4.2Å; F865-L869 HydrophobicContact CD1-CD2 4.27Å; F865-L869 HydrophobicContact CD1-CG 4.05Å; F865-L869 HydrophobicContact CE1-CD1 4.24Å; F865-L869 HydrophobicContact CE1-CD2 3.64Å; F865-L869 HydrophobicContact CE1-CG 3.59Å; F865-L869 HydrophobicContact CE2-CD2 4.36Å; F865-L869 HydrophobicContact CZ-CD2 3.69Å; F865-L869 HydrophobicContact CZ-CG 4.17Å; L869-L880 HydrophobicContact CB-CD1 4.14Å
870	S	96.9	Very high	95	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	140.8	-173.4	172.9	0	0	0	0	111	A726 T727 G757 Y814 L872	A726-S870 WeakPolarHBondContact O-CA 3.39Å; T727-S870 WeakPolarHBondContact OG1-CB 3.26Å; T727-S870 PolarHBondContact OG1-OG 3.03Å; G757-S870 PolarHBondContact N-O 3.02Å; G757-S870 PolarHBondContact O-N 3.33Å; Y814-S870 VanDerWaalsContact OH-CB 3.24Å; Y814-S870 WeakPolarHBondContact OH-CB 3.27Å; Y814-S870 PolarHBondContact OH-OG 3.19Å; Y814-S870 VanDerWaalsContact OH-OG 3.07Å; S870-L872 VanDerWaalsContact C-N 3.3Å; S870-L872 PolarHBondContact O-N 2.99Å
871	G	95.6	Very high	95.3	Very high	11 Å²	11	37.7 Å²	37.7	11%	0.113	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57	38.3	165.4	0	0	0	0	0	114.7	A726 Y873	A726-G871 PolarHBondContact O-N 2.8Å; A726-G871 VanDerWaalsContact O-N 3.1Å; G871-Y873 PolarHBondContact O-N 2.78Å
872	L	97.9	Very high	95.5	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	118.1	177.8	175.6	58.3	0	0	0	110.7	L754 A755 V756 V768 I856 S870 K878 V879 L880	L754-L872 HydrophobicContact CG-CD1 4.41Å; A755-L872 WeakPolarHBondContact O-CA 3.5Å; V756-L872 HydrophobicContact CB-CB 4.48Å; V756-L872 HydrophobicContact CB-CD1 3.87Å; V756-L872 HydrophobicContact CG2-CB 4.01Å; V756-L872 HydrophobicContact CG2-CD1 4.14Å; V768-L872 HydrophobicContact CG1-CD1 4.47Å; V768-L872 HydrophobicContact CG1-CD2 4.28Å; V768-L872 HydrophobicContact CG2-CD1 3.88Å; V768-L872 HydrophobicContact CG2-CD2 3.89Å; I856-L872 HydrophobicContact CD1-CD2 3.41Å; I856-L872 VanDerWaalsContact CD1-CD2 3.41Å; I856-L872 HydrophobicContact CG1-CD2 3.78Å; S870-L872 VanDerWaalsContact C-N 3.3Å; S870-L872 PolarHBondContact O-N 2.99Å; L872-K878 CarbonylContact O-C 3.38Å; L872-K878 WeakPolarHBondContact O-CA 3.48Å; L872-V879 HydrophobicContact CD2-CB 4.08Å; L872-V879 HydrophobicContact CD2-CG2 4.39Å; L872-V879 HydrophobicContact CG-CB 4.37Å; L872-V879 HydrophobicContact CG-CG2 4.47Å; L872-V879 PolarHBondContact O-N 3.06Å; L872-V879 VanDerWaalsContact O-N 3.12Å; L872-L880 HydrophobicContact CB-CD1 3.94Å; L872-L880 HydrophobicContact CB-CG 3.81Å
873	Y	98	Very high	95.7	Very high	28 Å²	28	32.2 Å²	32.2	11%	0.11	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.2	170.2	174.3	-90	0	0	0	110	S712 M713 R753 L754 A755 G871 G876 L877 K878	S712-Y873 WeakPolarHBondContact O-CB 3.35Å; S712-Y873 VanDerWaalsContact O-CG 3.26Å; M713-Y873 HydrophobicContact SD-CD1 4.12Å; M713-Y873 HydrophobicContact SD-CE1 4.18Å; R753-Y873 HydrophobicContact CB-CE1 4.12Å; L754-Y873 WeakPolarHBondContact CA-O 3.46Å; A755-Y873 PolarHBondContact N-O 2.94Å; A755-Y873 PolarHBondContact O-N 3.32Å; G871-Y873 PolarHBondContact O-N 2.78Å; Y873-G876 VanDerWaalsContact CE2-CA 3.5Å; Y873-G876 PolarHBondContact OH-N 2.91Å; Y873-G876 VanDerWaalsContact OH-N 3.12Å; Y873-L877 WeakPolarHBondContact CA-O 3.49Å; Y873-K878 HydrophobicContact CD2-CG 4.44Å
874	Y	97.9	Very high	95.6	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	112.7	170.9	-178.3	-105.8	0	0	0	110.2	W741 D752 R753 L754 I770 L780 Q851 I854 G876 L877	W741-Y874 HydrophobicContact CH2-CD1 4.21Å; W741-Y874 AromaticContact CH2-CE1 3.87Å; W741-Y874 HydrophobicContact CH2-CE1 3.87Å; W741-Y874 HydrophobicContact CZ2-CD1 4.48Å; W741-Y874 HydrophobicContact CZ2-CE1 4.29Å; D752-Y874 HydrophobicContact CB-CE2 4.25Å; R753-Y874 WeakPolarHBondContact O-CA 3.29Å; L754-Y874 HydrophobicContact CB-CD2 4Å; L754-Y874 HydrophobicContact CD1-CD2 3.95Å; L754-Y874 HydrophobicContact CD1-CE2 4.5Å; L754-Y874 HydrophobicContact CG-CD2 4.21Å; I770-Y874 HydrophobicContact CD1-CD2 4.01Å; I770-Y874 HydrophobicContact CD1-CE1 4.42Å; I770-Y874 HydrophobicContact CD1-CE2 3.74Å; I770-Y874 HydrophobicContact CD1-CG 4.46Å; I770-Y874 HydrophobicContact CG1-CD1 4.35Å; I770-Y874 HydrophobicContact CG1-CE1 3.96Å; I770-Y874 HydrophobicContact CG1-CE2 4.16Å; I770-Y874 HydrophobicContact CG2-CE1 4.34Å; L780-Y874 HydrophobicContact CD1-CE2 4.16Å; Q851-Y874 VanDerWaalsContact CD-OH 3.3Å; Q851-Y874 PolarHBondContact NE2-OH 3.19Å; Q851-Y874 VanDerWaalsContact NE2-OH 3.1Å; Q851-Y874 VanDerWaalsContact OE1-CE1 3.24Å; Q851-Y874 PolarHBondContact OE1-OH 2.94Å; I854-Y874 HydrophobicContact CD1-CD1 3.75Å; I854-Y874 HydrophobicContact CD1-CE1 4.47Å; I854-Y874 HydrophobicContact CD1-CG 4.41Å; Y874-G876 VanDerWaalsContact C-N 3.27Å; Y874-G876 PolarHBondContact O-N 3.14Å; Y874-G876 VanDerWaalsContact O-N 3.1Å; Y874-L877 PolarHBondContact N-O 3.43Å; Y874-L877 WeakPolarHBondContact O-CB 3.38Å; Y874-L877 PolarHBondContact O-N 3.17Å
875	D	94.7	Very high	95.5	Very high	57 Å²	57	33.4 Å²	33.4	31%	0.305	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.2	46.2	175.6	-65.4	-30.1	0	0	0	115.3	D752 R753	D752-D875 WeakPolarHBondContact CA-OD1 3.49Å; D752-D875 WeakPolarHBondContact CA-OD2 3.39Å; D752-D875 WeakPolarHBondContact CB-OD2 3.47Å; R753-D875 PolarHBondContact N-OD1 3.44Å; R753-D875 PolarHBondContact O-N 3.17Å; R753-D875 VanDerWaalsContact O-N 3.09Å
876	G	90.3	Very high	95.3	Very high	48 Å²	48	40.2 Å²	40.2	50%	0.495	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	-22	-179.8	0	0	0	0	0	114.1	Y873 Y874	Y873-G876 VanDerWaalsContact CE2-CA 3.5Å; Y873-G876 PolarHBondContact OH-N 2.91Å; Y873-G876 VanDerWaalsContact OH-N 3.12Å; Y874-G876 VanDerWaalsContact C-N 3.27Å; Y874-G876 PolarHBondContact O-N 3.14Å; Y874-G876 VanDerWaalsContact O-N 3.1Å
877	L	94.6	Very high	95.2	Very high	40 Å²	40	39 Å²	39	21%	0.209	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	120.3	-178.9	-56.4	179.2	0	0	0	111.5	Y739 W741 I854 Y873 Y874 V879 M882	Y739-L877 HydrophobicContact CD1-CD1 4.35Å; Y739-L877 HydrophobicContact CE1-CD1 3.71Å; W741-L877 HydrophobicContact CZ2-CD1 3.69Å; I854-L877 HydrophobicContact CD1-CD1 4.23Å; Y873-L877 WeakPolarHBondContact CA-O 3.49Å; Y874-L877 PolarHBondContact N-O 3.43Å; Y874-L877 WeakPolarHBondContact O-CB 3.38Å; Y874-L877 PolarHBondContact O-N 3.17Å; L877-V879 HydrophobicContact CB-CG2 3.93Å; L877-V879 PolarHBondContact O-N 2.95Å; L877-M882 HydrophobicContact CB-SD 4.25Å; L877-M882 HydrophobicContact CD2-CE 4.44Å; L877-M882 HydrophobicContact CD2-SD 4.27Å
878	K	95.9	Very high	95.1	Very high	101 Å²	101	43.7 Å²	43.7	44%	0.439	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	71.3	170	-66.7	-178.4	-179.2	177.2	0	110	L872 Y873 L880 N881 M882	L872-K878 CarbonylContact O-C 3.38Å; L872-K878 WeakPolarHBondContact O-CA 3.48Å; Y873-K878 HydrophobicContact CD2-CG 4.44Å; K878-L880 VanDerWaalsContact C-N 3.29Å; K878-L880 PolarHBondContact O-N 2.8Å; K878-L880 VanDerWaalsContact O-N 3.15Å; K878-N881 HydrophobicContact CB-CB 4.1Å; K878-N881 WeakPolarHBondContact O-CB 3.48Å; K878-N881 PolarHBondContact O-N 2.81Å; K878-M882 PolarHBondContact O-N 3.04Å; K878-M882 VanDerWaalsContact O-N 3.08Å
879	V	95.4	Very high	95	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.1	-34.1	-162	-168.8	0	0	0	0	113.6	I854 I856 L872 L877 A883 I890	I854-V879 HydrophobicContact CD1-CG2 3.81Å; I856-V879 HydrophobicContact CD1-CB 4.35Å; I856-V879 HydrophobicContact CD1-CG1 3.8Å; L872-V879 HydrophobicContact CD2-CB 4.08Å; L872-V879 HydrophobicContact CD2-CG2 4.39Å; L872-V879 HydrophobicContact CG-CB 4.37Å; L872-V879 HydrophobicContact CG-CG2 4.47Å; L872-V879 PolarHBondContact O-N 3.06Å; L872-V879 VanDerWaalsContact O-N 3.12Å; L877-V879 HydrophobicContact CB-CG2 3.93Å; L877-V879 PolarHBondContact O-N 2.95Å; V879-A883 WeakPolarHBondContact O-CB 3.5Å; V879-A883 PolarHBondContact O-N 2.89Å; V879-I890 HydrophobicContact CG1-CD1 4.23Å; V879-I890 WeakPolarHBondContact O-CD1 3.27Å
880	L	96.5	Very high	95	Very high	1 Å²	1	44 Å²	44	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-75.3	-29.9	176.4	-65	-180	0	0	0	113.2	A726 Y728 I737 I856 L869 L872 K878 A883 A884	A726-L880 HydrophobicContact CB-CB 4.2Å; Y728-L880 HydrophobicContact CD2-CB 4.17Å; Y728-L880 HydrophobicContact CD2-CD1 4.49Å; Y728-L880 HydrophobicContact CD2-CD2 3.75Å; Y728-L880 HydrophobicContact CD2-CG 4.32Å; Y728-L880 HydrophobicContact CE2-CB 4.31Å; Y728-L880 HydrophobicContact CE2-CD2 4.28Å; Y728-L880 WeakPolarHBondContact CE2-O 3.31Å; Y728-L880 HydrophobicContact CG-CD2 4.46Å; I737-L880 HydrophobicContact CD1-CD2 3.61Å; I856-L880 HydrophobicContact CD1-CD2 4.16Å; L869-L880 HydrophobicContact CB-CD1 4.14Å; L872-L880 HydrophobicContact CB-CD1 3.94Å; L872-L880 HydrophobicContact CB-CG 3.81Å; K878-L880 VanDerWaalsContact C-N 3.29Å; K878-L880 PolarHBondContact O-N 2.8Å; K878-L880 VanDerWaalsContact O-N 3.15Å; L880-A883 PolarHBondContact O-N 3.23Å; L880-A884 PolarHBondContact O-N 2.8Å; L880-A884 VanDerWaalsContact O-N 3.15Å
881	N	93.9	Very high	94.9	Very high	47 Å²	47	51.2 Å²	51.2	25%	0.251	28%	0.28	S	S	.	.	H	α-helix	trans	-66.7	-47.9	170.7	-75.5	55.8	0	0	0	110.1	A726 K878 A883 A884 E885	A726-N881 HydrophobicContact CB-CB 4.45Å; A726-N881 VanDerWaalsContact CB-OD1 3.26Å; A726-N881 WeakPolarHBondContact CB-OD1 3.41Å; K878-N881 HydrophobicContact CB-CB 4.1Å; K878-N881 WeakPolarHBondContact O-CB 3.48Å; K878-N881 PolarHBondContact O-N 2.81Å; N881-A883 PolarHBondContact O-N 2.7Å; N881-A883 VanDerWaalsContact O-N 3.17Å; N881-A884 WeakPolarHBondContact O-CB 3.12Å; N881-A884 PolarHBondContact O-N 2.83Å; N881-E885 WeakPolarHBondContact O-CG 3.29Å; N881-E885 PolarHBondContact O-N 2.89Å
882	M	96.2	Very high	94.9	Very high	28 Å²	28	54.5 Å²	54.5	14%	0.138	29%	0.294	C	S	.	.	H	α-helix	trans	-56.4	-34	175.5	-62.7	167.1	69.1	0	0	112.1	Y739 L877 K878 N886 N887 I890	Y739-M882 HydrophobicContact CD2-CE 4.18Å; Y739-M882 HydrophobicContact CE2-CE 3.6Å; L877-M882 HydrophobicContact CB-SD 4.25Å; L877-M882 HydrophobicContact CD2-CE 4.44Å; L877-M882 HydrophobicContact CD2-SD 4.27Å; K878-M882 PolarHBondContact O-N 3.04Å; K878-M882 VanDerWaalsContact O-N 3.08Å; M882-N886 PolarHBondContact O-N 3.28Å; M882-N887 HydrophobicContact CB-CB 3.99Å; M882-N887 WeakPolarHBondContact O-CB 3.5Å; M882-N887 PolarHBondContact O-N 2.84Å; M882-I890 HydrophobicContact CB-CD1 3.57Å
883	A	94.3	Very high	94.6	Very high	3 Å²	3	59.9 Å²	59.9	3%	0.025	32%	0.323	C	S	.	.	H	α-helix	trans	-69.8	-38.6	175.8	0	0	0	0	0	112.4	Y728 I737 V879 L880 N881 E885 N886 I890 I892	Y728-A883 HydrophobicContact CE2-CB 4.05Å; Y728-A883 PolarHBondContact OH-O 3.09Å; I737-A883 HydrophobicContact CG2-CB 4.17Å; V879-A883 WeakPolarHBondContact O-CB 3.5Å; V879-A883 PolarHBondContact O-N 2.89Å; L880-A883 PolarHBondContact O-N 3.23Å; N881-A883 PolarHBondContact O-N 2.7Å; N881-A883 VanDerWaalsContact O-N 3.17Å; A883-E885 VanDerWaalsContact C-N 3.32Å; A883-N886 PolarHBondContact O-N 2.97Å; A883-I890 HydrophobicContact CB-CD1 4Å; A883-I890 HydrophobicContact CB-CG2 4.03Å; A883-I892 HydrophobicContact CB-CD1 4.34Å
884	A	92.2	Very high	94.2	Very high	36 Å²	36	60.4 Å²	60.4	30%	0.298	34%	0.337	S	S	.	.	H	α-helix	trans	-70.9	-30.7	176.4	0	0	0	0	0	112.1	Y728 L880 N881 N886 L898	Y728-A884 VanDerWaalsContact OH-CA 3.28Å; Y728-A884 WeakPolarHBondContact OH-CA 3.42Å; Y728-A884 PolarHBondContact OH-N 2.9Å; L880-A884 PolarHBondContact O-N 2.8Å; L880-A884 VanDerWaalsContact O-N 3.15Å; N881-A884 WeakPolarHBondContact O-CB 3.12Å; N881-A884 PolarHBondContact O-N 2.83Å; A884-N886 PolarHBondContact O-N 3.26Å; A884-L898 HydrophobicContact CB-CD1 4.15Å; A884-L898 HydrophobicContact CB-CD2 4.22Å
885	E	93	Very high	93.9	Very high	138 Å²	138	62.5 Å²	62.5	65%	0.645	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	6.1	176.2	-67.9	159.1	-161.5	0	0	113.4	N881 A883 N887	N881-E885 WeakPolarHBondContact O-CG 3.29Å; N881-E885 PolarHBondContact O-N 2.89Å; A883-E885 VanDerWaalsContact C-N 3.32Å; E885-N887 PolarHBondContact O-N 2.91Å
886	N	91.7	Very high	93.9	Very high	143 Å²	143	61 Å²	61	77%	0.765	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	39	-179.6	-59.2	-78.9	0	0	0	114.6	M882 A883 A884	M882-N886 PolarHBondContact O-N 3.28Å; A883-N886 PolarHBondContact O-N 2.97Å; A884-N886 PolarHBondContact O-N 3.26Å
887	N	93.9	Very high	94	Very high	45 Å²	45	64.6 Å²	64.6	24%	0.241	34%	0.343	C	S	.	.			trans	-54.8	132	178.8	-175.7	-72.6	0	0	0	112.2	M882 E885 N889 I890	M882-N887 HydrophobicContact CB-CB 3.99Å; M882-N887 WeakPolarHBondContact O-CB 3.5Å; M882-N887 PolarHBondContact O-N 2.84Å; E885-N887 PolarHBondContact O-N 2.91Å; N887-N889 PolarHBondContact O-N 3.47Å; N887-N889 VanDerWaalsContact O-N 3.11Å; N887-N889 WeakPolarHBondContact OD1-CB 3.49Å; N887-N889 PolarHBondContact OD1-N 2.76Å; N887-I890 HydrophobicContact CB-CD1 4.19Å; N887-I890 HydrophobicContact CB-CG1 4.29Å; N887-I890 PolarHBondContact O-N 2.84Å
888	P	93.1	Very high	94	Very high	115 Å²	115	64.8 Å²	64.8	75%	0.747	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-20	-171.7	26	-36.3	0	0	0	114.6	I890	P888-I890 VanDerWaalsContact C-N 3.29Å
889	N	95.2	Very high	93.5	Very high	57 Å²	57	63.4 Å²	63.4	31%	0.305	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-0.9	177	-67.6	-26	0	0	0	113	Y739 T740 N887	Y739-N889 WeakPolarHBondContact CA-O 3.44Å; Y739-N889 HydrophobicContact CD2-CB 3.9Å; Y739-N889 HydrophobicContact CE2-CB 3.61Å; T740-N889 PolarHBondContact N-O 3.25Å; T740-N889 WeakPolarHBondContact O-CB 3.13Å; N887-N889 PolarHBondContact O-N 3.47Å; N887-N889 VanDerWaalsContact O-N 3.11Å; N887-N889 WeakPolarHBondContact OD1-CB 3.49Å; N887-N889 PolarHBondContact OD1-N 2.76Å
890	I	97.5	Very high	92.5	Very high	21 Å²	21	66.9 Å²	66.9	11%	0.108	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136	179.6	-64.7	-176.5	0	0	0	111.3	I737 L738 Y739 V879 M882 A883 N887 P888 I892	I737-I890 HydrophobicContact CG2-CG2 3.63Å; L738-I890 CarbonylContact O-C 3.52Å; L738-I890 WeakPolarHBondContact O-CA 3.46Å; Y739-I890 HydrophobicContact CD2-CD1 4.25Å; Y739-I890 HydrophobicContact CD2-CG1 3.68Å; Y739-I890 HydrophobicContact CG-CG1 4.39Å; V879-I890 HydrophobicContact CG1-CD1 4.23Å; V879-I890 WeakPolarHBondContact O-CD1 3.27Å; M882-I890 HydrophobicContact CB-CD1 3.57Å; A883-I890 HydrophobicContact CB-CD1 4Å; A883-I890 HydrophobicContact CB-CG2 4.03Å; N887-I890 HydrophobicContact CB-CD1 4.19Å; N887-I890 HydrophobicContact CB-CG1 4.29Å; N887-I890 PolarHBondContact O-N 2.84Å; P888-I890 VanDerWaalsContact C-N 3.29Å; I890-I892 HydrophobicContact CG2-CG1 4.18Å
891	K	95.7	Very high	90.2	Very high	154 Å²	154	72.7 Å²	72.7	67%	0.67	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	124	171.4	-66.3	179.1	-177.7	172.3	0	110.1	L738	L738-K891 PolarHBondContact N-O 3.11Å; L738-K891 PolarHBondContact O-N 3.14Å
892	I	95.3	Very high	87.4	Confident	80 Å²	80	77 Å²	77	41%	0.41	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	132.8	176.4	-52.5	-177.9	0	0	0	108.8	Y728 L736 I737 A883 I890 V896	Y728-I892 HydrophobicContact CE1-CD1 4.16Å; L736-I892 CarbonylContact O-C 3.53Å; L736-I892 WeakPolarHBondContact O-CA 3.44Å; I737-I892 HydrophobicContact CG1-CG1 4.18Å; I737-I892 HydrophobicContact CG1-CG2 4.27Å; I737-I892 HydrophobicContact CG2-CG1 4.28Å; A883-I892 HydrophobicContact CB-CD1 4.34Å; I890-I892 HydrophobicContact CG2-CG1 4.18Å; I892-V896 HydrophobicContact CG2-CB 3.75Å; I892-V896 HydrophobicContact CG2-CG1 3.89Å; I892-V896 HydrophobicContact CG2-CG2 4.2Å
893	N	91	Very high	84.5	Confident	115 Å²	115	80.9 Å²	80.9	62%	0.615	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.6	146.9	-179.1	-168.4	0	0	0	0	112	G735 L736	G735-N893 CarbonylContact C-O 3.55Å; L736-N893 PolarHBondContact N-O 2.97Å; L736-N893 PolarHBondContact O-N 2.84Å
894	G	90.2	Very high	81.4	Confident	39 Å²	39	86.6 Å²	86.6	40%	0.402	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	81.3	-155.8	-178.7	0	0	0	0	0	113.8	V896	G894-V896 PolarHBondContact O-N 3.43Å
895	S	91.3	Very high	78.5	Confident	45 Å²	45	91.5 Å²	91.5	32%	0.315	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	82.2	-175.8	-167.5	0	0	0	0	110.8	F730 G731 S733 G734	F730-S895 WeakPolarHBondContact CA-O 3.33Å; G731-S895 WeakPolarHBondContact CA-OG 3.05Å; G731-S895 PolarHBondContact N-O 2.85Å; S733-S895 VanDerWaalsContact OG-CB 3.3Å; S733-S895 WeakPolarHBondContact OG-CB 3.45Å; G734-S895 PolarHBondContact O-N 3.17Å
896	V	94.2	Very high	75.5	Confident	26 Å²	26	90.6 Å²	90.6	16%	0.158	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.4	173.9	-177.8	0	0	0	0	107.7	Y728 I729 F730 I737 I892 G894	Y728-V896 HydrophobicContact CD1-CG1 3.5Å; Y728-V896 HydrophobicContact CE1-CG1 4.19Å; Y728-V896 HydrophobicContact CG-CG1 4.24Å; I729-V896 WeakPolarHBondContact O-CA 3.04Å; F730-V896 HydrophobicContact CD1-CG2 3.91Å; F730-V896 HydrophobicContact CE1-CG2 3.71Å; F730-V896 HydrophobicContact CZ-CG1 4.36Å; F730-V896 HydrophobicContact CZ-CG2 4.29Å; I737-V896 HydrophobicContact CD1-CG1 3.97Å; I737-V896 HydrophobicContact CG1-CG1 4Å; I892-V896 HydrophobicContact CG2-CB 3.75Å; I892-V896 HydrophobicContact CG2-CG1 3.89Å; I892-V896 HydrophobicContact CG2-CG2 4.2Å; G894-V896 PolarHBondContact O-N 3.43Å
897	R	92.9	Very high	72.7	Confident	122 Å²	122	87 Å²	87	46%	0.46	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.4	170.5	68	178.5	-171	87.2	-8.8	111.8	Y728 I729	Y728-R897 WeakPolarHBondContact CA-O 3.36Å; Y728-R897 WeakPolarHBondContact CD1-O 3.37Å; I729-R897 HydrophobicContact CB-CG 4.02Å; I729-R897 PolarHBondContact N-O 3.03Å; I729-R897 PolarHBondContact O-N 2.87Å; I729-R897 VanDerWaalsContact O-N 3.08Å
898	L	94.3	Very high	69.6	Low	44 Å²	44	92 Å²	92	23%	0.23	57%	0.566	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.1	146.7	173.1	-173.8	65.3	0	0	0	109.8	Y728 A884 G900 E901	Y728-L898 HydrophobicContact CD1-CB 4.35Å; Y728-L898 HydrophobicContact CD1-CD1 4.49Å; Y728-L898 HydrophobicContact CD2-CD1 4.11Å; Y728-L898 HydrophobicContact CE1-CB 3.93Å; Y728-L898 HydrophobicContact CE1-CD1 4.1Å; Y728-L898 HydrophobicContact CE2-CD1 3.68Å; A884-L898 HydrophobicContact CB-CD1 4.15Å; A884-L898 HydrophobicContact CB-CD2 4.22Å; L898-G900 PolarHBondContact O-N 3.2Å; L898-E901 HydrophobicContact CB-CG 4.36Å
899	V	86.8	Confident	66.4	Low	73 Å²	73	93 Å²	93	44%	0.442	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.4	115.6	169.1	178.6	0	0	0	0	108.6	T727 I729	T727-V899 HydrophobicContact CG2-CB 4.42Å; T727-V899 HydrophobicContact CG2-CG2 3.69Å; T727-V899 WeakPolarHBondContact O-CG2 2.77Å; T727-V899 PolarHBondContact O-N 3.43Å; I729-V899 HydrophobicContact CD1-CG2 3.62Å; I729-V899 HydrophobicContact CG1-CG2 3.67Å
900	G	73.6	Confident	63.2	Low	72 Å²	72	98.9 Å²	98.9	74%	0.742	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	134.5	-22.4	-176	0	0	0	0	0	113.4	L898	L898-G900 PolarHBondContact O-N 3.2Å
901	E	48.7	Very low	59.8	Low	124 Å²	124	105 Å²	105	58%	0.579	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-82.2	136.1	176.8	-62.5	-179.7	126.4	0	0	112.5	L898	L898-E901 HydrophobicContact CB-CG 4.36Å
902	V	33.7	Very low	56.8	Low	136 Å²	136	104.2 Å²	104.2	82%	0.824	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-88.5	131.5	176.3	-177.5	0	0	0	0	110
903	P	35.3	Very low	53.5	Low	111 Å²	111	106.3 Å²	106.3	72%	0.721	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-73.5	130.4	179.2	29.4	-34.1	0	0	0	112
904	S	29	Very low	50.4	Low	122 Å²	122	109.6 Å²	109.6	85%	0.853	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-79.6	123.3	174.2	45.6	0	0	0	0	111.6
905	V	32.6	Very low	47.8	Very low	139 Å²	139	112.7 Å²	112.7	84%	0.842	69%	0.691	S	S	*	*			trans	-112.2	126.7	174.9	-178.4	0	0	0	0	109.3
906	S	30.3	Very low	44.8	Very low	119 Å²	119	116.5 Å²	116.5	83%	0.832	71%	0.714	S	S	*	*			trans	-85.8	122.2	-173.5	-59.8	0	0	0	0	113.4
907	G	31.6	Very low	41.6	Very low	68 Å²	68	123.7 Å²	123.7	70%	0.701	75%	0.746	S	S	*	*			trans	93	110.4	142.8	0	0	0	0	0	118.7
908	T	28.7	Very low	38.4	Very low	150 Å²	150	125.8 Å²	125.8	92%	0.92	76%	0.764	S	S	*	*				-167.4	164.1	115.7	16.2	0	0	0	0	112.2
909	T	26.1	Very low	35	Very low	136 Å²	136	128.2 Å²	128.2	83%	0.834	78%	0.784	S	S	*	*			trans	-61.3	148.5	-164.8	33.7	0	0	0	0	118.4
910	Q	27.9	Very low	32.1	Very low	181 Å²	181	130.7 Å²	130.7	85%	0.846	80%	0.8	S	S	*	*			trans	-74.2	150.6	167.6	-65.8	175.2	-25	0	0	113.1
911	T	26.5	Very low	29.8	Very low	149 Å²	149	134.4 Å²	134.4	91%	0.914	81%	0.808	S	S	*	*			trans	-142.8	149.2	146.5	34	0	0	0	0	109.5
912	T	33.3	Very low	28.8	Very low	137 Å²	137	135.1 Å²	135.1	84%	0.84	82%	0.821	S	S	*	*			trans	-114.3	144.9	-169.6	41	0	0	0	0	112.6
913	S	25	Very low	28.4	Very low	124 Å²	124	136.5 Å²	136.5	87%	0.867	82%	0.82	S	S	*	*			trans	-156.6	153.2	155.8	54.4	0	0	0	0	110.7
914	M	25.7	Very low	28	Very low	184 Å²	184	139.7 Å²	139.7	91%	0.906	83%	0.825	S	S	*	*			trans	-96.7	166.3	-168.8	-80.1	-160	80.5	0	0	113.7
915	P	36.1	Very low	27.8	Very low	104 Å²	104	139.9 Å²	139.9	68%	0.675	82%	0.822	S	S	*	*			trans	-106.9	179.4	-154.3	41.8	-36.8	0	0	0	115.1
916	P	28.4	Very low	27.6	Very low	125 Å²	125	138.7 Å²	138.7	81%	0.812	81%	0.814	S	S	*	*			trans	-120.4	160.9	143.1	34.6	-23	0	0	0	113.8
917	E	27	Very low	27.6	Very low	177 Å²	177	138.4 Å²	138.4	83%	0.827	81%	0.808	S	S	*	*			trans	-66.6	166.9	179.1	-53.6	169.1	151.1	0	0	112.1
918	M	25.8	Very low	27.4	Very low	167 Å²	167	140.9 Å²	140.9	82%	0.823	81%	0.81	S	S	*	*			cis	-154	156	13.8	-140.2	-178.2	-68.6	0	0	105.2
919	S	22.7	Very low	27.2	Very low	95 Å²	95	142.2 Å²	142.2	66%	0.664	81%	0.808	S	S	*	*			cis	-172	142.5	49.7	54.4	0	0	0	0	113.1
920	T	27.1	Very low	27.2	Very low	125 Å²	125	139.7 Å²	139.7	77%	0.767	80%	0.801	S	S	*	*			trans	33.3	108.1	151.6	59.9	0	0	0	0	120.9
921	T	23.6	Very low	27.2	Very low	150 Å²	150	137 Å²	137	92%	0.92	80%	0.796	S	S	*	*				-163.7	157.7	111.5	16.4	0	0	0	0	110.6
922	V	27.6	Very low	27.3	Very low	139 Å²	139	135.3 Å²	135.3	84%	0.842	79%	0.786	S	S	*	*			trans	-91	126	-160.7	178.2	0	0	0	0	112.4
923	M	26.2	Very low	27	Very low	165 Å²	165	134.9 Å²	134.9	81%	0.813	78%	0.784	S	S	*	*				-173.6	135.4	122	-102.9	-179	168	0	0	113.4
924	E	27.8	Very low	27.1	Very low	178 Å²	178	134.6 Å²	134.6	83%	0.832	78%	0.777	S	S	*	*			trans	19.4	142.3	156.7	-59	-174.9	160.9	0	0	122.5
925	T	24.1	Very low	27.1	Very low	126 Å²	126	137.7 Å²	137.7	77%	0.773	78%	0.778	S	S	*	*			trans	-139.6	124	171.1	-17.1	0	0	0	0	112.7
926	T	28.6	Very low	26.6	Very low	113 Å²	113	141.7 Å²	141.7	69%	0.693	79%	0.785	S	S	*	*			trans	69.3	108.6	139.3	38.2	0	0	0	0	123
927	T	29.2	Very low	26.4	Very low	114 Å²	114	142.9 Å²	142.9	70%	0.699	78%	0.784	S	S	*	*				52.1	147.1	115.1	64.3	0	0	0	0	122.2
928	T	27.5	Very low	26.3	Very low	120 Å²	120	146.4 Å²	146.4	74%	0.736	79%	0.79	S	S	*	*				-172.5	131.1	101.6	22.8	0	0	0	0	115.3
929	M	25.9	Very low	26.2	Very low	178 Å²	178	142.8 Å²	142.8	88%	0.877	78%	0.781	S	S	*	*			trans	62.5	149.9	139	-61.4	-130.1	-67.9	0	0	120.7
930	A	24.9	Very low	26.3	Very low	83 Å²	83	144.6 Å²	144.6	69%	0.686	79%	0.789	S	S	*	*			cis	-160.1	164	-8.4	0	0	0	0	0	113.3
931	T	27.2	Very low	26.2	Very low	123 Å²	123	143.7 Å²	143.7	76%	0.755	79%	0.794	S	S	*	*			trans	-52.8	168.1	158.4	43.9	0	0	0	0	114
932	T	28.7	Very low	26.2	Very low	115 Å²	115	142 Å²	142	71%	0.706	79%	0.788	S	S	*	*			cis	-178.7	162.7	8.2	18	0	0	0	0	108.5
933	T	28.1	Very low	26.1	Very low	128 Å²	128	143.5 Å²	143.5	79%	0.785	79%	0.79	S	S	*	*			trans	172.1	114.8	134.1	37.5	0	0	0	0	109.6
934	T	25.8	Very low	26	Very low	117 Å²	117	144.2 Å²	144.2	72%	0.718	79%	0.791	S	S	*	*				75.5	107.9	65.4	64.5	0	0	0	0	118.4
935	R	26.5	Very low	26.5	Very low	250 Å²	250	140.6 Å²	140.6	94%	0.943	78%	0.783	S	S	*	*			trans	173.4	115	130	-97	170.6	179.2	-169.3	0.4	109.5
936	K	25.8	Very low	26.6	Very low	188 Å²	188	140.7 Å²	140.7	82%	0.817	78%	0.783	S	S	*	*				78.3	102.7	62.2	-116	-173.5	-174.7	-179.8	0	117.1
937	N	24.8	Very low	26.5	Very low	149 Å²	149	139.8 Å²	139.8	80%	0.797	78%	0.782	S	S	*	*			trans	54.6	128.5	141.9	-61.9	10.8	0	0	0	122.6
938	R	25.1	Very low	26.4	Very low	251 Å²	251	140.8 Å²	140.8	95%	0.947	78%	0.783	S	S	*	*				-162.4	161.8	109.1	-140.6	178	169	157.6	-3.9	114.6
939	S	23.9	Very low	26.3	Very low	91 Å²	91	141.9 Å²	141.9	64%	0.636	78%	0.784	S	S	*	*			trans	-140.4	173.5	178.9	72.4	0	0	0	0	108.7
940	T	23.5	Very low	26.4	Very low	133 Å²	133	141.6 Å²	141.6	82%	0.816	79%	0.786	S	S	*	*			cis	-165.3	140.7	2.5	-4.9	0	0	0	0	107.6
941	A	25.4	Very low	26.5	Very low	107 Å²	107	144 Å²	144	88%	0.884	79%	0.791	S	S	*	*			trans	-163.2	139.8	160.3	0	0	0	0	0	113.5
942	S	23.5	Very low	26.5	Very low	113 Å²	113	144 Å²	144	79%	0.79	80%	0.797	S	S	*	*			trans	-119.9	135.5	-179.5	52.3	0	0	0	0	111.3
943	I	26.2	Very low	26.6	Very low	172 Å²	172	143.5 Å²	143.5	88%	0.882	80%	0.798	S	S	*	*			trans	-138.7	136.8	163.5	-57.8	-178.9	0	0	0	109
944	Q	23.3	Very low	26.7	Very low	179 Å²	179	142.2 Å²	142.2	84%	0.836	80%	0.8	S	S	*	*			trans	-146.6	171.2	174.9	-107.3	-165	-17	0	0	106.6
945	P	39.5	Very low	26.8	Very low	102 Å²	102	146 Å²	146	66%	0.662	81%	0.81	S	S	*	*			cis	-135.7	176.6	-31	38.5	-22.8	0	0	0	113
946	T	24.5	Very low	26.8	Very low	128 Å²	128	140.3 Å²	140.3	79%	0.785	81%	0.807	S	S	*	*			trans	168.7	111.4	142.4	41.6	0	0	0	0	107.9
947	S	27	Very low	26.8	Very low	95 Å²	95	137.1 Å²	137.1	66%	0.664	81%	0.808	S	S	*	*				82.2	137.1	99.9	95.4	0	0	0	0	112.2
948	D	26.4	Very low	27	Very low	135 Å²	135	134.7 Å²	134.7	72%	0.722	80%	0.803	S	S	*	*			cis	-146.6	166.6	19.8	-76.3	-69.6	0	0	0	114.4
949	D	27.3	Very low	27.3	Very low	142 Å²	142	129.9 Å²	129.9	76%	0.759	80%	0.796	S	S	*	*			trans	50.4	116.9	150	-68.6	-17.3	0	0	0	123.7
950	L	27.6	Very low	27.8	Very low	173 Å²	173	133 Å²	133	91%	0.906	81%	0.805	S	S	*	*				-173.3	138.5	95.7	-101.7	162.7	0	0	0	112.4
951	V	26.7	Very low	28.4	Very low	133 Å²	133	134.8 Å²	134.8	81%	0.806	80%	0.804	S	S	*	*			trans	-106.3	139.5	179.8	173.9	0	0	0	0	110.5
952	S	26.6	Very low	28.9	Very low	124 Å²	124	136.7 Å²	136.7	87%	0.867	80%	0.8	S	S	*	*			trans	-146.5	136.3	150.8	-166.9	0	0	0	0	110.3
953	S	30.4	Very low	29.2	Very low	104 Å²	104	141 Å²	141	73%	0.727	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-98	147.6	-167.8	44.3	0	0	0	0	113
954	A	31.1	Very low	29.4	Very low	101 Å²	101	139.1 Å²	139.1	84%	0.835	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-80.1	147	172.8	0	0	0	0	0	112
955	E	28	Very low	29.9	Very low	197 Å²	197	139.1 Å²	139.1	92%	0.921	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-83.2	146.5	178.5	-64.3	-179.7	140.4	0	0	111.9
956	C	25.3	Very low	29.2	Very low	130 Å²	130	140.7 Å²	140.7	88%	0.878	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-91.1	142.8	172.2	-61.7	0	0	0	0	110.2
957	S	26.3	Very low	29.2	Very low	120 Å²	120	143.1 Å²	143.1	84%	0.839	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-96.4	122.1	164.3	52.5	0	0	0	0	110.2
958	S	30.1	Very low	30.4	Very low	99 Å²	99	143.2 Å²	143.2	69%	0.692	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-87	156.8	159.4	55.7	0	0	0	0	110.2
959	D	30.7	Very low	30.3	Very low	150 Å²	150	141.4 Å²	141.4	80%	0.802	81%	0.811	S	S	*	*				172.5	115.5	116	-81.6	-4.6	0	0	0	109.4
960	D	35.4	Very low	30.3	Very low	157 Å²	157	141.5 Å²	141.5	84%	0.84	82%	0.817	S	S	*	*			trans	-103.9	150	165.3	-75.9	-52.5	0	0	0	108.7
961	E	35.9	Very low	30.2	Very low	170 Å²	170	136.7 Å²	136.7	79%	0.794	81%	0.809	S	S	*	*				155.1	136.6	127.7	-80.9	-64.7	170.3	0	0	112.6
962	D	35.7	Very low	30.2	Very low	146 Å²	146	142.4 Å²	142.4	78%	0.781	82%	0.816	S	S	*	*			trans	-79.1	172.8	173.8	-72.7	-55	0	0	0	111.8
963	F	29.7	Very low	30.2	Very low	204 Å²	204	142.4 Å²	142.4	90%	0.895	82%	0.816	S	S	*	*			trans	-172.3	152.9	135.1	-104.1	-66.3	0	0	0	113.6
964	V	30.5	Very low	30	Very low	133 Å²	133	141.7 Å²	141.7	81%	0.806	82%	0.816	S	S	*	*			trans	-113.8	162.3	-175.9	173.4	0	0	0	0	111.9
965	E	32.6	Very low	29.9	Very low	178 Å²	178	148 Å²	148	83%	0.832	82%	0.819	S	S	*	*			trans	-52.6	153.7	-171.3	-54.9	178.1	121.1	0	0	118.7
966	C	25.1	Very low	29.9	Very low	135 Å²	135	143.8 Å²	143.8	91%	0.912	81%	0.811	S	S	*	*				-173.2	148.3	120.8	-100.8	0	0	0	0	113.7
967	E	24.1	Very low	29.9	Very low	180 Å²	180	142.7 Å²	142.7	84%	0.841	81%	0.805	S	S	*	*			trans	-98.6	-174.5	175.1	-109.5	-153.7	178.6	0	0	111.7
968	P	52.1	Low	29.9	Very low	96 Å²	96	144.3 Å²	144.3	62%	0.623	80%	0.804	S	S	*	*			cis	-138.1	-171.2	-42.8	38.6	-20.8	0	0	0	114.4
969	S	25.2	Very low	29.9	Very low	97 Å²	97	144.3 Å²	144.3	68%	0.678	81%	0.81	S	S	*	*			trans	110	126	141.5	81.3	0	0	0	0	123.2
970	T	26.2	Very low	29.7	Very low	145 Å²	145	142 Å²	142	89%	0.89	81%	0.811	S	S	*	*			trans	57.1	141.1	149.3	59	0	0	0	0	122.2
971	G	26.9	Very low	29.5	Very low	71 Å²	71	146.6 Å²	146.6	73%	0.732	82%	0.817	S	S	*	*			cis	163.1	155.4	-10.5	0	0	0	0	0	115.4
972	R	27.1	Very low	29.1	Very low	254 Å²	254	143.2 Å²	143.2	96%	0.958	81%	0.812	S	S	*	*			trans	67.7	152.3	169.5	-61	178.7	173.6	174.7	-1.7	116.7
973	S	24.9	Very low	28.7	Very low	123 Å²	123	142.8 Å²	142.8	86%	0.86	81%	0.809	S	S	*	*			cis	-146.8	174.2	17.2	-160	0	0	0	0	113.2
974	A	27.9	Very low	28.7	Very low	89 Å²	89	144 Å²	144	74%	0.736	81%	0.808	S	S	*	*			trans	-138.7	165.8	-166.3	0	0	0	0	0	115.4
975	R	27.2	Very low	28.5	Very low	235 Å²	235	141.9 Å²	141.9	89%	0.887	80%	0.804	S	S	*	*			trans	-171.9	105.3	152.1	-102.7	170.7	-176.2	-166.1	-0.1	108.9
976	S	28.2	Very low	28.6	Very low	108 Å²	108	138.3 Å²	138.3	76%	0.755	81%	0.805	S	S	*	*				74	125.5	86.3	73.9	0	0	0	0	113.9
977	S	26.8	Very low	28.6	Very low	106 Å²	106	138.8 Å²	138.8	74%	0.741	80%	0.798	S	S	*	*				-154.6	165.5	65.5	53.4	0	0	0	0	117.2
978	N	26	Very low	28.9	Very low	155 Å²	155	136.5 Å²	136.5	83%	0.829	80%	0.796	S	S	*	*			trans	80.9	74.6	158.9	-63.2	0.3	0	0	0	121.8
979	A	29.1	Very low	27.6	Very low	99 Å²	99	141.3 Å²	141.3	82%	0.818	80%	0.802	S	S	*	*			trans	-15.2	159.9	130.2	0	0	0	0	0	119.4
980	A	27.6	Very low	27.8	Very low	100 Å²	100	142.8 Å²	142.8	83%	0.826	81%	0.807	S	S	*	*			cis	-164.1	152.2	-11.2	0	0	0	0	0	111.9
981	R	30.7	Very low	27.9	Very low	255 Å²	255	145.4 Å²	145.4	96%	0.962	80%	0.801	S	S	*	*			trans	-147.3	137.7	168.6	-156.1	174.4	-178.9	-172.2	-0.2	108.1
982	S	27.3	Very low	27.9	Very low	99 Å²	99	153.3 Å²	153.3	69%	0.692	81%	0.809	S	S	*	*			trans	-163.3	143.7	-158.9	172	0	0	0	0	109.6
983	L	28	Very low	28	Very low	136 Å²	136	147.5 Å²	147.5	71%	0.712	80%	0.796	S	S	*	*			cis	-156.8	147.5	-4.2	-113	171.2	0	0	0	110.9
984	R	28.3	Very low	28.2	Very low	230 Å²	230	147.6 Å²	147.6	87%	0.868	79%	0.791	S	S	*	*			trans	41.2	137.9	139.5	-89.2	-177.2	-160.3	-179.2	0.5	124.9
985	A	27.8	Very low	28.3	Very low	88 Å²	88	153.4 Å²	153.4	73%	0.727	80%	0.796	S	S	*	*				110.9	117.5	119.2	0	0	0	0	0	120.3
986	A	33.3	Very low	28.4	Very low	104 Å²	104	148 Å²	148	86%	0.86	79%	0.789	S	S	*	*			trans	5.7	131.6	141.8	0	0	0	0	0	119.6
987	L	26.9	Very low	28.6	Very low	144 Å²	144	151.1 Å²	151.1	75%	0.754	80%	0.796	S	S	*	*			trans	-123.7	125.4	163.7	-90.8	160.5	0	0	0	110.5
988	T	29.2	Very low	28.7	Very low	132 Å²	132	152.2 Å²	152.2	81%	0.81	80%	0.799	S	S	*	*			trans	-70.4	145.9	160.7	41.1	0	0	0	0	109.8
989	W	26.1	Very low	29.1	Very low	197 Å²	197	150.5 Å²	150.5	75%	0.746	80%	0.796	S	S	*	*			trans	-113.7	100.3	177.7	-78.1	87.5	0	0	0	111.7
990	T	28.8	Very low	29.1	Very low	129 Å²	129	154.1 Å²	154.1	79%	0.791	80%	0.801	S	S	*	*			trans	-78.4	122.8	161.5	48.9	0	0	0	0	109.8
991	W	27.4	Very low	29.2	Very low	200 Å²	200	155.9 Å²	155.9	76%	0.758	80%	0.795	S	S	*	*			trans	-95.8	102.5	170.7	-76.8	94.3	0	0	0	111.2	L993	W991-L993 HydrophobicContact CE3-CD1 3.85Å; W991-L993 HydrophobicContact CE3-CG 4.39Å; W991-L993 HydrophobicContact CZ3-CD1 3.9Å
992	R	26.9	Very low	29	Very low	237 Å²	237	153.8 Å²	153.8	89%	0.894	79%	0.793	S	S	*	*			trans	-96.1	125.4	151.1	-86.8	-173.3	171.8	-167.8	-1.7	107.5
993	L	29	Very low	29.1	Very low	132 Å²	132	155.7 Å²	155.7	69%	0.691	79%	0.794	S	S	*	*			trans	-129.1	95.3	169.1	-113.4	164.4	0	0	0	109	W991 Y995	W991-L993 HydrophobicContact CE3-CD1 3.85Å; W991-L993 HydrophobicContact CE3-CG 4.39Å; W991-L993 HydrophobicContact CZ3-CD1 3.9Å; L993-Y995 HydrophobicContact CD2-CD2 4.09Å
994	T	30.3	Very low	29.2	Very low	124 Å²	124	154.6 Å²	154.6	76%	0.761	80%	0.798	S	S	*	*			trans	-83.1	118.5	164.4	43.1	0	0	0	0	108.8
995	Y	29.5	Very low	29.2	Very low	211 Å²	211	149.7 Å²	149.7	83%	0.827	80%	0.798	S	S	*	*			trans	-140.9	151.2	153	-98.2	-73	0	0	0	111.6	L993	L993-Y995 HydrophobicContact CD2-CD2 4.09Å
996	T	29.2	Very low	29.4	Very low	123 Å²	123	151.8 Å²	151.8	76%	0.755	80%	0.801	S	S	*	*			trans	-87.8	145.9	-158.6	43.6	0	0	0	0	114
997	L	32.1	Very low	29.4	Very low	172 Å²	172	153.3 Å²	153.3	90%	0.901	80%	0.799	S	S	*	*			trans	-67.3	141.3	165.2	-78.4	88.2	0	0	0	111.6
998	T	28.7	Very low	29.8	Very low	129 Å²	129	154.8 Å²	154.8	79%	0.791	80%	0.802	S	S	*	*			trans	-134.3	136	147.7	36.1	0	0	0	0	108.9
999	P	36	Very low	30	Very low	120 Å²	120	158 Å²	158	78%	0.779	83%	0.83	S	S	*	*			trans	-87.5	141.7	-177.8	34	-33.2	0	0	0	111.4
1000	L	28.3	Very low	30.2	Very low	175 Å²	175	156.1 Å²	156.1	92%	0.916	83%	0.834	S	S	*	*			trans	-107.6	122.5	167.7	-98.8	164.2	0	0	0	110.4
1001	I	30.1	Very low	30.3	Very low	137 Å²	137	157.5 Å²	157.5	70%	0.703	84%	0.836	S	S	*	*			trans	-83.3	129.5	-176.3	-60.3	168.1	0	0	0	108.6	I1003	I1001-I1003 HydrophobicContact CG2-CG1 4.04Å; I1001-I1003 PolarHBondContact O-N 3.36Å
1002	F	26.4	Very low	30.4	Very low	210 Å²	210	155.1 Å²	155.1	92%	0.921	84%	0.841	S	S	*	*			trans	-76.8	115	165.2	-95.4	-91.7	0	0	0	109.8
1003	I	29.8	Very low	30.6	Very low	140 Å²	140	150.3 Å²	150.3	72%	0.718	84%	0.838	S	S	*	*			trans	-112.9	124.8	162.7	-68.1	175	0	0	0	107.3	I1001	I1001-I1003 HydrophobicContact CG2-CG1 4.04Å; I1001-I1003 PolarHBondContact O-N 3.36Å
1004	S	28.6	Very low	30.7	Very low	112 Å²	112	151.4 Å²	151.4	78%	0.783	85%	0.847	S	S	*	*			trans	-72.3	128.5	172	-62	0	0	0	0	110.6
1005	C	29.5	Very low	30.8	Very low	128 Å²	128	153.3 Å²	153.3	87%	0.865	85%	0.852	S	S	*	*			trans	-86.3	132.1	164.9	-73.6	0	0	0	0	110.6
1006	V	31.4	Very low	30.8	Very low	131 Å²	131	149.1 Å²	149.1	79%	0.794	85%	0.854	S	S	*	*			trans	-120.5	155.3	162.6	179.3	0	0	0	0	107.2
1007	V	32.3	Very low	31	Very low	137 Å²	137	151.2 Å²	151.2	83%	0.83	86%	0.862	S	S	*	*			trans	96.6	130	176	-169.4	0	0	0	0	115.2
1008	H	37	Very low	30.9	Very low	174 Å²	174	149.4 Å²	149.4	81%	0.806	86%	0.859	S	S	*	*			trans	-74.8	155.2	-170.9	-55.4	-27	0	0	0	114.8
1009	S	32.3	Very low	31.1	Very low	200 Å²	200	151.3 Å²	151.3	100%	1.399	87%	0.865	S	S	*	*				-157.3	0	108.9	-71.1	0	0	0	0	109.7

Retrieved 1,009 of 1,009 residues in 2115.2 ms (Link to these results)

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