A0A061IRA2_CRIGR Loading...

Ubiquitin carboxyl-terminal hydrolase

Deubiquitinating enzyme that removes conjugated ubiquitin from specific proteins to regulate different cellular processes.

AlphaFold DB , UniProt , Accession A0A061IRA2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Usp15, Length 981 aa.

						>A0A061IRA2_CRIGR|A0A061IRA2|Usp15
MAEGGAADLDTQRSDIATLLKTSLRKGDTWYLVDSRWFKQWKKYVGFDSWDKYQMGDQNVYPGPIDNSGLLKDGDAQSLKEHLIDELDYILLPTEGWNKLVSWYTLMEGQEPIARKVVEQGMFVKHCKVEVYLTELKLCENGNMNNVVTRRFSKADTIDTIEKEIRKIFSIPDEKETRLWNKYMSNTFEPLNKPDSTIQDAGLYQGQVLVIEQKNEDGTWPRGPSAPKSPGASNFSALPKISPSSLSNNYNNINSRNVKNSNYCLPSYTAYKNYDYSEPGRNNEQPGLCGLSNLGNTCFMNSAIQCLSNTPPLTEYFLNDKYQEELNFDNPLGMRGEIAKSYAELIKQMWSGKFSYVTPRAFKTQVGRFAPQFSGYQQQDCQELLAFLLDGLHEDLNRIRKKPYIQLKDADGRPDKVVAEEAWENHLKRNDSIIVDIFHGLFKSTLVCPECAKISVTFDPFCYLTLPLPMKKERSLEVYLVRMDPLIKPMQYKVIVPKIGNILDLCAALSALSGVPADKMIVTDIYNHRFHRIFAMDENLSSIMERDDIYVFEININRTEDTEHVVIPVCLREKFRHSSYTHHTGSSLFGQPFLMAVPRNNTEDKLYNLLLLRMCRYVKMSTETEETDGPLRCCEDQNINGNGPNGIHEEGSPSEMETDEPDDESSQDQELPSENENSQSEDSVGGDNDSENGLCTEETCKGQLTGHRKRLFTFQFINLGNTDINYIKDDTRHIRFDDRQLRLDERSFLALDWDPDLKKRYFDENAAEDFEKHESVEYKPPKKPFVKLKDCIELFTTKEKLGAEDPWYCPNCKEHQQATKKLDLWSLPPVLVVHLKRFSYSRYMRDKLDTLVDFPINDLDMSEFLINPNAGPCLYNLIAVSNHYGGMGGGHYTAFAKNKDDGKWYYFDDSSVSTASEDQIVSKAAYVLFYQRQDTFSGTGFFPLDRDTKGASAATGVPLESDEDSNDNDNDIENENCMHTN
					

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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	41.6	Very low	60.4	Low	251 Å²	251	95.8 Å²	95.8	100%	1.236	61%	0.609	S	S	*	*				0	125.3	0	-69.5	171.2	175.1	0	0	107.6
2	A	30	Very low	62.8	Low	102 Å²	102	88.2 Å²	88.2	84%	0.843	56%	0.56	S	S	*	*			trans	-142.7	135.4	165.8	0	0	0	0	0	105.6
3	E	37.3	Very low	64.7	Low	211 Å²	211	85.8 Å²	85.8	99%	0.986	53%	0.533	S	S	*	.			trans	-85.9	128.5	-171.8	-64.7	172.3	131	0	0	110
4	G	35.7	Very low	66.3	Low	72 Å²	72	84.4 Å²	84.4	74%	0.742	53%	0.528	S	S	*	.			trans	-174.9	54.8	-171.6	0	0	0	0	0	111.7
5	G	48.5	Very low	67.8	Low	76 Å²	76	81.9 Å²	81.9	78%	0.784	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-62.8	143.2	171.4	0	0	0	0	0	110.7
6	A	61	Low	69.3	Low	53 Å²	53	76.8 Å²	76.8	44%	0.438	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-57.1	150.7	174.6	0	0	0	0	0	111.1	W103	A6-W103 HydrophobicContact CB-CB 3.98Å; A6-W103 HydrophobicContact CB-CG 4.18Å
7	A	73.1	Confident	70.4	Confident	30 Å²	30	73.8 Å²	73.8	25%	0.248	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-59.7	155.9	174.7	0	0	0	0	0	110.9	T11 Q12 W103	A7-T11 HydrophobicContact CB-CG2 3.99Å; A7-Q12 HydrophobicContact CB-CG 4.11Å; A7-Q12 PolarHBondContact O-NE2 3.03Å; A7-W103 HydrophobicContact CB-CZ2 4.01Å
8	D	84	Confident	71.4	Confident	88 Å²	88	74.6 Å²	74.6	47%	0.471	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-60.1	153.5	174.8	68.5	88.1	0	0	0	111.3	D10 T11 Q12	D8-D10 VanDerWaalsContact C-N 3.27Å; D8-D10 PolarHBondContact O-N 3.25Å; D8-D10 PolarHBondContact OD1-N 3.23Å; D8-T11 VanDerWaalsContact CG-OG1 3.26Å; D8-T11 WeakPolarHBondContact O-CB 3.26Å; D8-T11 PolarHBondContact O-N 3.22Å; D8-T11 VanDerWaalsContact O-N 3.15Å; D8-T11 PolarHBondContact OD1-N 2.77Å; D8-T11 PolarHBondContact OD1-OG1 3.22Å; D8-T11 VanDerWaalsContact OD2-CB 3.23Å; D8-T11 WeakPolarHBondContact OD2-CB 3.14Å; D8-T11 PolarHBondContact OD2-OG1 3.44Å; D8-Q12 WeakPolarHBondContact O-CG 3.5Å; D8-Q12 PolarHBondContact O-N 3.38Å
9	L	85.4	Confident	72.3	Confident	36 Å²	36	71.8 Å²	71.8	19%	0.188	45%	0.448	C	S	.	.	H	α-helix	trans	-65.4	-29.1	-169.6	-56.9	177.5	0	0	0	113	R13 Y44 V45 M55	L9-R13 WeakPolarHBondContact O-CB 3.2Å; L9-R13 PolarHBondContact O-N 3.5Å; L9-Y44 HydrophobicContact CD2-CD1 4.09Å; L9-Y44 HydrophobicContact CD2-CE1 3.48Å; L9-Y44 VanDerWaalsContact CD2-CE1 3.48Å; L9-V45 HydrophobicContact CD2-CG1 4.23Å; L9-M55 HydrophobicContact CB-CE 3.57Å; L9-M55 HydrophobicContact CD1-CG 4.26Å
10	D	82.2	Confident	73	Confident	82 Å²	82	71.4 Å²	71.4	44%	0.439	44%	0.442	S	S	.	.	H	α-helix	trans	-70.4	-42.9	174.7	-74.8	-57.7	0	0	0	111.3	D8 R13 S14 M55	D8-D10 VanDerWaalsContact C-N 3.27Å; D8-D10 PolarHBondContact O-N 3.25Å; D8-D10 PolarHBondContact OD1-N 3.23Å; D10-R13 PolarHBondContact O-N 3.4Å; D10-R13 IonicContact OD1-CZ 2.69Å; D10-R13 IonicContact OD1-NH1 2.73Å; D10-R13 PolarHBondContact OD1-NH1 2.89Å; D10-R13 IonicContact OD1-NH2 3.57Å; D10-R13 PolarHBondContact OD1-NH2 3.39Å; D10-S14 VanDerWaalsContact O-CB 3.24Å; D10-S14 WeakPolarHBondContact O-CB 3.38Å; D10-S14 PolarHBondContact O-N 3.45Å; D10-M55 WeakPolarHBondContact OD1-CE 3.32Å
11	T	85.8	Confident	73.6	Confident	53 Å²	53	76.3 Å²	76.3	33%	0.325	46%	0.458	S	S	.	.	H	α-helix	trans	-61.5	-46.4	171.3	-65.2	0	0	0	0	111.4	A7 D8 R13 S14 D15	A7-T11 HydrophobicContact CB-CG2 3.99Å; D8-T11 VanDerWaalsContact CG-OG1 3.26Å; D8-T11 WeakPolarHBondContact O-CB 3.26Å; D8-T11 PolarHBondContact O-N 3.22Å; D8-T11 VanDerWaalsContact O-N 3.15Å; D8-T11 PolarHBondContact OD1-N 2.77Å; D8-T11 PolarHBondContact OD1-OG1 3.22Å; D8-T11 VanDerWaalsContact OD2-CB 3.23Å; D8-T11 WeakPolarHBondContact OD2-CB 3.14Å; D8-T11 PolarHBondContact OD2-OG1 3.44Å; T11-R13 VanDerWaalsContact C-N 3.35Å; T11-R13 PolarHBondContact O-N 3.5Å; T11-S14 PolarHBondContact O-N 2.63Å; T11-D15 WeakPolarHBondContact O-CB 3.38Å; T11-D15 PolarHBondContact O-N 3.13Å
12	Q	88.8	Confident	75.9	Confident	4 Å²	4	67 Å²	67	2%	0.019	41%	0.414	C	S	.	.	H	α-helix	trans	-57.6	-47.3	177.1	-68.1	-169	34.1	0	0	111.9	A7 D8 I16 W41 V45 W103 Y104	A7-Q12 HydrophobicContact CB-CG 4.11Å; A7-Q12 PolarHBondContact O-NE2 3.03Å; D8-Q12 WeakPolarHBondContact O-CG 3.5Å; D8-Q12 PolarHBondContact O-N 3.38Å; Q12-I16 WeakPolarHBondContact O-CG1 3.3Å; Q12-I16 PolarHBondContact O-N 3.33Å; Q12-W41 HydrophobicContact CB-CZ2 4.44Å; Q12-V45 HydrophobicContact CB-CG1 4.24Å; Q12-W103 HydrophobicContact CB-CE3 4.14Å; Q12-W103 HydrophobicContact CB-CH2 4.05Å; Q12-W103 HydrophobicContact CB-CZ3 3.71Å; Q12-W103 HydrophobicContact CG-CD2 3.91Å; Q12-W103 HydrophobicContact CG-CE3 3.61Å; Q12-W103 HydrophobicContact CG-CH2 3.9Å; Q12-W103 HydrophobicContact CG-CZ2 4.17Å; Q12-W103 HydrophobicContact CG-CZ3 3.62Å; Q12-Y104 PolarHBondContact NE2-OH 2.89Å; Q12-Y104 VanDerWaalsContact OE1-CE2 3.24Å; Q12-Y104 PolarHBondContact OE1-OH 2.76Å
13	R	87.6	Confident	78.4	Confident	57 Å²	57	65.9 Å²	65.9	22%	0.215	40%	0.401	C	S	.	.	H	α-helix	trans	-61.1	-48.1	176.1	-175.2	-178.3	68.6	-123.6	-5.9	111.1	L9 D10 T11 A17 V45 G46 F47	L9-R13 WeakPolarHBondContact O-CB 3.2Å; L9-R13 PolarHBondContact O-N 3.5Å; D10-R13 PolarHBondContact O-N 3.4Å; D10-R13 IonicContact OD1-CZ 2.69Å; D10-R13 IonicContact OD1-NH1 2.73Å; D10-R13 PolarHBondContact OD1-NH1 2.89Å; D10-R13 IonicContact OD1-NH2 3.57Å; D10-R13 PolarHBondContact OD1-NH2 3.39Å; T11-R13 VanDerWaalsContact C-N 3.35Å; T11-R13 PolarHBondContact O-N 3.5Å; R13-A17 WeakPolarHBondContact O-CB 3.38Å; R13-A17 PolarHBondContact O-N 2.9Å; R13-V45 HydrophobicContact CB-CB 4.33Å; R13-V45 HydrophobicContact CB-CG2 4.05Å; R13-V45 HydrophobicContact CG-CG2 4.36Å; R13-V45 PolarHBondContact NH1-O 3.01Å; R13-G46 WeakPolarHBondContact CD-O 3.47Å; R13-F47 HydrophobicContact CG-CB 4.45Å; R13-F47 HydrophobicContact CG-CD2 3.84Å; R13-F47 HydrophobicContact CG-CE2 4.45Å; R13-F47 HydrophobicContact CG-CG 4.3Å
14	S	87.3	Confident	80.9	Confident	66 Å²	66	58.6 Å²	58.6	46%	0.462	37%	0.368	S	S	.	.	H	α-helix	trans	-63.7	-46.1	-176.1	-174.5	0	0	0	0	112.8	D10 T11 T18	D10-S14 VanDerWaalsContact O-CB 3.24Å; D10-S14 WeakPolarHBondContact O-CB 3.38Å; D10-S14 PolarHBondContact O-N 3.45Å; T11-S14 PolarHBondContact O-N 2.63Å; S14-T18 WeakPolarHBondContact O-CB 3.49Å; S14-T18 PolarHBondContact O-N 2.96Å; S14-T18 PolarHBondContact O-OG1 2.74Å
15	D	89.1	Confident	83.3	Confident	48 Å²	48	62.9 Å²	62.9	26%	0.257	36%	0.362	S	S	.	.	H	α-helix	trans	-62.6	-51.9	179.7	-81.7	-3.7	0	0	0	111.2	T11 T18 L19 K99 W103	T11-D15 WeakPolarHBondContact O-CB 3.38Å; T11-D15 PolarHBondContact O-N 3.13Å; D15-T18 WeakPolarHBondContact O-CB 3.5Å; D15-T18 PolarHBondContact O-N 2.71Å; D15-L19 WeakPolarHBondContact O-CB 3.4Å; D15-L19 WeakPolarHBondContact O-CG 3.42Å; D15-L19 PolarHBondContact O-N 2.74Å; D15-K99 HydrophobicContact CB-CD 4.09Å; D15-K99 WeakPolarHBondContact OD2-CE 3.05Å; D15-K99 IonicContact OD2-NZ 2.8Å; D15-K99 PolarHBondContact OD2-NZ 3Å; D15-W103 HydrophobicContact CB-CH2 4.3Å
16	I	92	Very high	84.9	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-69.5	-38.5	-177.6	-60	-62.8	0	0	0	111.2	Q12 T18 L19 L20 F38 W41 K99 L100 W103	Q12-I16 WeakPolarHBondContact O-CG1 3.3Å; Q12-I16 PolarHBondContact O-N 3.33Å; I16-T18 PolarHBondContact O-N 3.21Å; I16-L19 PolarHBondContact O-N 3.36Å; I16-L20 HydrophobicContact CG2-CD1 4.02Å; I16-L20 HydrophobicContact CG2-CG 4.29Å; I16-L20 WeakPolarHBondContact O-CB 3.32Å; I16-L20 WeakPolarHBondContact O-CG 3.35Å; I16-L20 PolarHBondContact O-N 3.27Å; I16-F38 HydrophobicContact CG2-CE2 4.36Å; I16-F38 HydrophobicContact CG2-CZ 4.09Å; I16-W41 HydrophobicContact CB-CH2 3.63Å; I16-W41 HydrophobicContact CB-CZ2 4.12Å; I16-W41 HydrophobicContact CB-CZ3 4.47Å; I16-W41 HydrophobicContact CG1-CH2 3.96Å; I16-W41 HydrophobicContact CG1-CZ2 3.93Å; I16-W41 HydrophobicContact CG2-CH2 3.6Å; I16-W41 HydrophobicContact CG2-CZ2 4.38Å; I16-W41 HydrophobicContact CG2-CZ3 3.96Å; I16-K99 HydrophobicContact CD1-CB 4.32Å; I16-L100 HydrophobicContact CD1-CD2 4.04Å; I16-L100 HydrophobicContact CD1-CG 3.97Å; I16-L100 HydrophobicContact CG1-CD2 4.07Å; I16-W103 HydrophobicContact CD1-CZ3 4.22Å; I16-W103 HydrophobicContact CG1-CH2 4.36Å; I16-W103 HydrophobicContact CG1-CZ3 3.92Å
17	A	86.8	Confident	85.9	Confident	25 Å²	25	64.6 Å²	64.6	21%	0.207	35%	0.35	C	S	.	.	H	α-helix	trans	-66.9	-18.5	174	0	0	0	0	0	113.9	R13 K21 F47	R13-A17 WeakPolarHBondContact O-CB 3.38Å; R13-A17 PolarHBondContact O-N 2.9Å; A17-K21 WeakPolarHBondContact O-CD 3.48Å; A17-K21 VanDerWaalsContact O-CE 3.22Å; A17-K21 WeakPolarHBondContact O-CE 3.25Å; A17-F47 HydrophobicContact CB-CE2 3.79Å; A17-F47 HydrophobicContact CB-CZ 3.71Å
18	T	88.7	Confident	86.7	Confident	88 Å²	88	65.7 Å²	65.7	54%	0.54	35%	0.352	S	S	.	.	H	α-helix	trans	-84.9	-46.5	170.6	-57.8	0	0	0	0	110.5	S14 D15 I16 L20 K21	S14-T18 WeakPolarHBondContact O-CB 3.49Å; S14-T18 PolarHBondContact O-N 2.96Å; S14-T18 PolarHBondContact O-OG1 2.74Å; D15-T18 WeakPolarHBondContact O-CB 3.5Å; D15-T18 PolarHBondContact O-N 2.71Å; I16-T18 PolarHBondContact O-N 3.21Å; T18-L20 PolarHBondContact O-N 2.93Å; T18-K21 WeakPolarHBondContact O-CB 3.47Å; T18-K21 PolarHBondContact O-N 3.39Å
19	L	89.3	Confident	87	Confident	22 Å²	22	63.2 Å²	63.2	12%	0.115	34%	0.34	C	S	.	.	H	α-helix	trans	-67.3	-32.2	-178.2	-72	165.7	0	0	0	113.2	D15 I16 K21 T22 P93 E95 K99	D15-L19 WeakPolarHBondContact O-CB 3.4Å; D15-L19 WeakPolarHBondContact O-CG 3.42Å; D15-L19 PolarHBondContact O-N 2.74Å; I16-L19 PolarHBondContact O-N 3.36Å; L19-K21 PolarHBondContact O-N 2.83Å; L19-K21 VanDerWaalsContact O-N 3.12Å; L19-T22 VanDerWaalsContact O-CB 3.24Å; L19-T22 WeakPolarHBondContact O-CB 3.44Å; L19-T22 PolarHBondContact O-N 3.37Å; L19-T22 PolarHBondContact O-OG1 2.89Å; L19-P93 HydrophobicContact CB-CG 4.07Å; L19-E95 HydrophobicContact CD1-CB 4.29Å; L19-E95 HydrophobicContact CD2-CB 3.97Å; L19-K99 HydrophobicContact CD1-CD 3.79Å
20	L	85.5	Confident	87.4	Confident	63 Å²	63	62.2 Å²	62.2	33%	0.33	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.3	171.2	-79.5	167.3	0	0	0	113.8	I16 T18 F38 F47 I90 L92	I16-L20 HydrophobicContact CG2-CD1 4.02Å; I16-L20 HydrophobicContact CG2-CG 4.29Å; I16-L20 WeakPolarHBondContact O-CB 3.32Å; I16-L20 WeakPolarHBondContact O-CG 3.35Å; I16-L20 PolarHBondContact O-N 3.27Å; T18-L20 PolarHBondContact O-N 2.93Å; L20-F38 HydrophobicContact CD1-CZ 4.18Å; L20-F47 HydrophobicContact CD1-CE2 4.42Å; L20-F47 HydrophobicContact CD1-CZ 3.91Å; L20-I90 HydrophobicContact CD2-CG2 4.45Å; L20-L92 HydrophobicContact CD2-CD2 3.69Å; L20-L92 HydrophobicContact CG-CD2 4.24Å
21	K	85.6	Confident	88	Confident	176 Å²	176	60 Å²	60	77%	0.765	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	7	176.6	-59.7	170	-175.1	165.1	0	112.9	A17 T18 L19 S23	A17-K21 WeakPolarHBondContact O-CD 3.48Å; A17-K21 VanDerWaalsContact O-CE 3.22Å; A17-K21 WeakPolarHBondContact O-CE 3.25Å; T18-K21 WeakPolarHBondContact O-CB 3.47Å; T18-K21 PolarHBondContact O-N 3.39Å; L19-K21 PolarHBondContact O-N 2.83Å; L19-K21 VanDerWaalsContact O-N 3.12Å; K21-S23 PolarHBondContact O-N 3.44Å
22	T	89.2	Confident	88.3	Confident	54 Å²	54	57.5 Å²	57.5	33%	0.331	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-67.5	126.1	178.1	-55.1	0	0	0	0	110.3	L19 W30	L19-T22 VanDerWaalsContact O-CB 3.24Å; L19-T22 WeakPolarHBondContact O-CB 3.44Å; L19-T22 PolarHBondContact O-N 3.37Å; L19-T22 PolarHBondContact O-OG1 2.89Å; T22-W30 HydrophobicContact CG2-CZ2 4.22Å; T22-W30 WeakPolarHBondContact O-CH2 3.44Å
23	S	84.4	Confident	88.5	Confident	80 Å²	80	57.3 Å²	57.3	56%	0.559	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-73.5	131.5	175.7	50.5	0	0	0	0	112.1	K21	K21-S23 PolarHBondContact O-N 3.44Å
24	L	88.4	Confident	88.8	Confident	58 Å²	58	55 Å²	55	30%	0.304	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-60.7	129.8	178.7	-66.7	164.9	0	0	0	111.8	W30 V117 C127 V129	L24-W30 HydrophobicContact CD2-CD2 3.74Å; L24-W30 VanDerWaalsContact CD2-CE2 3.42Å; L24-W30 HydrophobicContact CD2-CE3 4.21Å; L24-W30 HydrophobicContact CD2-CG 4.19Å; L24-W30 HydrophobicContact CD2-CH2 4.13Å; L24-W30 HydrophobicContact CD2-CZ2 3.65Å; L24-W30 HydrophobicContact CD2-CZ3 4.39Å; L24-W30 HydrophobicContact CG-CZ2 4.32Å; L24-V117 HydrophobicContact CB-CG1 4.09Å; L24-V117 HydrophobicContact CD2-CG2 3.75Å; L24-C127 HydrophobicContact CB-CB 3.61Å; L24-C127 WeakPolarHBondContact CD1-O 3.35Å; L24-C127 WeakPolarHBondContact O-CB 3.4Å; L24-C127 PolarHBondContact O-SG 2.69Å; L24-C127 VanDerWaalsContact O-SG 3.38Å; L24-V129 HydrophobicContact CD2-CG2 3.85Å
25	R	86.3	Confident	89	Confident	162 Å²	162	52.1 Å²	52.1	61%	0.611	28%	0.275	S	S	*	.			trans	-124.2	143.4	175	-45.6	178.8	-178.6	-178.2	-0.1	111.2	G27 D28 V117	R25-G27 PolarHBondContact O-N 3.48Å; R25-D28 WeakPolarHBondContact CA-OD2 3.08Å; R25-D28 VanDerWaalsContact CB-OD2 3.28Å; R25-D28 WeakPolarHBondContact CB-OD2 3.46Å; R25-D28 PolarHBondContact N-OD2 3.16Å; R25-D28 VanDerWaalsContact O-CB 3.29Å; R25-D28 WeakPolarHBondContact O-CB 3.33Å; R25-D28 PolarHBondContact O-N 3.11Å; R25-D28 VanDerWaalsContact O-N 3.1Å; R25-V117 VanDerWaalsContact O-CB 3.22Å; R25-V117 WeakPolarHBondContact O-CB 3.38Å; R25-V117 WeakPolarHBondContact O-CG1 3.33Å
26	K	83.2	Confident	89	Confident	122 Å²	122	58.8 Å²	58.8	53%	0.53	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	127.5	-179.3	-172.4	-169.2	-163.1	163.8	0	111.4	E119	K26-E119 HydrophobicContact CB-CG 4.21Å; K26-E119 HydrophobicContact CD-CG 3.77Å; K26-E119 WeakPolarHBondContact CE-OE2 3.24Å; K26-E119 HydrophobicContact CG-CG 4.01Å; K26-E119 VanDerWaalsContact NZ-CD 3.25Å; K26-E119 IonicContact NZ-OE1 2.71Å; K26-E119 IonicContact NZ-OE2 3.77Å; K26-E119 PolarHBondContact NZ-OE2 2.93Å
27	G	81.9	Confident	89.1	Confident	42 Å²	42	59.5 Å²	59.5	43%	0.433	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	-9.7	178.7	0	0	0	0	0	114.9	R25 K116 V117	R25-G27 PolarHBondContact O-N 3.48Å; G27-K116 PolarHBondContact O-NZ 3.18Å; G27-V117 PolarHBondContact N-O 2.91Å
28	D	89.6	Confident	89.4	Confident	54 Å²	54	58.7 Å²	58.7	29%	0.289	29%	0.291	S	S	.	.			trans	-56.8	150.4	171.4	-68.8	-14.6	0	0	0	110.9	R25 K116 V117	R25-D28 WeakPolarHBondContact CA-OD2 3.08Å; R25-D28 VanDerWaalsContact CB-OD2 3.28Å; R25-D28 WeakPolarHBondContact CB-OD2 3.46Å; R25-D28 PolarHBondContact N-OD2 3.16Å; R25-D28 VanDerWaalsContact O-CB 3.29Å; R25-D28 WeakPolarHBondContact O-CB 3.33Å; R25-D28 PolarHBondContact O-N 3.11Å; R25-D28 VanDerWaalsContact O-N 3.1Å; D28-K116 VanDerWaalsContact O-CD 3.28Å; D28-K116 WeakPolarHBondContact O-CD 2.77Å; D28-V117 HydrophobicContact CB-CB 4.22Å; D28-V117 HydrophobicContact CB-CG2 3.87Å; D28-V117 PolarHBondContact O-N 2.79Å
29	T	90.6	Very high	89.4	Confident	35 Å²	35	58.6 Å²	58.6	22%	0.215	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.5	165	-52.8	0	0	0	0	108.9	Y31 T94 A114 R115 K116	T29-Y31 HydrophobicContact CG2-CD2 4.41Å; T29-Y31 HydrophobicContact CG2-CE2 3.73Å; T29-T94 PolarHBondContact O-OG1 2.92Å; T29-A114 HydrophobicContact CG2-CB 3.82Å; T29-R115 WeakPolarHBondContact CA-O 3.23Å; T29-K116 PolarHBondContact OG1-NZ 3.05Å
30	W	93.7	Very high	89.4	Confident	16 Å²	16	61.4 Å²	61.4	6%	0.061	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.4	170.9	-77.1	61.3	0	0	0	108.7	T22 L24 L91 L92 P93 R115 V117 V129	T22-W30 HydrophobicContact CG2-CZ2 4.22Å; T22-W30 WeakPolarHBondContact O-CH2 3.44Å; L24-W30 HydrophobicContact CD2-CD2 3.74Å; L24-W30 VanDerWaalsContact CD2-CE2 3.42Å; L24-W30 HydrophobicContact CD2-CE3 4.21Å; L24-W30 HydrophobicContact CD2-CG 4.19Å; L24-W30 HydrophobicContact CD2-CH2 4.13Å; L24-W30 HydrophobicContact CD2-CZ2 3.65Å; L24-W30 HydrophobicContact CD2-CZ3 4.39Å; L24-W30 HydrophobicContact CG-CZ2 4.32Å; W30-L91 HydrophobicContact CE3-CB 4.07Å; W30-L92 CarbonylContact C-O 3.5Å; W30-L92 VanDerWaalsContact CA-O 3.28Å; W30-L92 WeakPolarHBondContact CA-O 3.31Å; W30-L92 WeakPolarHBondContact CB-O 3.12Å; W30-P93 HydrophobicContact CD2-CB 4.23Å; W30-P93 HydrophobicContact CE3-CB 4.44Å; W30-P93 HydrophobicContact CH2-CB 4.14Å; W30-P93 HydrophobicContact CH2-CG 4.32Å; W30-P93 HydrophobicContact CZ2-CB 3.89Å; W30-P93 HydrophobicContact CZ3-CB 4.4Å; W30-P93 HydrophobicContact CZ3-CG 4.48Å; W30-R115 PolarHBondContact N-O 3.38Å; W30-R115 PolarHBondContact O-N 3.21Å; W30-V117 VanDerWaalsContact CD1-CG2 3.45Å; W30-V117 HydrophobicContact CG-CG2 4.19Å; W30-V129 HydrophobicContact CB-CG2 3.8Å; W30-V129 HydrophobicContact CD2-CG2 4.5Å; W30-V129 HydrophobicContact CG-CG2 4.05Å
31	Y	93.5	Very high	89.8	Confident	35 Å²	35	58.4 Å²	58.4	14%	0.137	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.8	-172.4	-66.3	-98.6	0	0	0	110.2	T29 L92 T94 W97 P112 I113 A114	T29-Y31 HydrophobicContact CG2-CD2 4.41Å; T29-Y31 HydrophobicContact CG2-CE2 3.73Å; Y31-L92 PolarHBondContact N-O 3.24Å; Y31-L92 PolarHBondContact O-N 3.14Å; Y31-T94 HydrophobicContact CE2-CG2 4.09Å; Y31-W97 HydrophobicContact CD1-CB 4.45Å; Y31-W97 AromaticContact CD1-CD1 3.61Å; Y31-W97 AromaticContact CD1-CD2 3.78Å; Y31-W97 HydrophobicContact CD1-CD2 3.78Å; Y31-W97 AromaticContact CD1-CE2 3.77Å; Y31-W97 AromaticContact CD1-CG 3.69Å; Y31-W97 HydrophobicContact CD1-CG 3.69Å; Y31-W97 AromaticContact CD1-NE1 3.63Å; Y31-W97 HydrophobicContact CD2-CB 3.63Å; Y31-W97 AromaticContact CD2-CD1 3.96Å; Y31-W97 AromaticContact CD2-CG 3.74Å; Y31-W97 HydrophobicContact CD2-CG 3.74Å; Y31-W97 AromaticContact CE1-CD1 3.64Å; Y31-W97 HydrophobicContact CE1-CG 4.18Å; Y31-W97 AromaticContact CE1-NE1 3.68Å; Y31-W97 HydrophobicContact CE2-CB 4.29Å; Y31-W97 HydrophobicContact CE2-CG 4.25Å; Y31-W97 HydrophobicContact CG-CB 3.74Å; Y31-W97 AromaticContact CG-CD1 3.76Å; Y31-W97 AromaticContact CG-CD2 3.77Å; Y31-W97 HydrophobicContact CG-CD2 3.77Å; Y31-W97 HydrophobicContact CG-CE3 4.36Å; Y31-W97 AromaticContact CG-CG 3.44Å; Y31-W97 HydrophobicContact CG-CG 3.44Å; Y31-W97 VanDerWaalsContact CG-CG 3.44Å; Y31-W97 AromaticContact CZ-CD1 3.86Å; Y31-P112 HydrophobicContact CD1-CB 3.89Å; Y31-P112 HydrophobicContact CE1-CB 3.69Å; Y31-I113 WeakPolarHBondContact CA-O 3.37Å; Y31-A114 HydrophobicContact CD1-CB 4.08Å; Y31-A114 HydrophobicContact CE1-CB 3.7Å
32	L	93.1	Very high	89.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	137	171.6	-75.9	70.1	0	0	0	109.4	L70 L79 Y89 L91 I113 R115 V131	L32-L70 HydrophobicContact CB-CD1 4.21Å; L32-L79 HydrophobicContact CD2-CD1 4.25Å; L32-Y89 HydrophobicContact CB-CD2 4.48Å; L32-Y89 HydrophobicContact CB-CG 4.49Å; L32-Y89 HydrophobicContact CD2-CD1 3.97Å; L32-Y89 HydrophobicContact CD2-CD2 3.84Å; L32-Y89 HydrophobicContact CD2-CE1 4.25Å; L32-Y89 HydrophobicContact CD2-CE2 4.14Å; L32-Y89 HydrophobicContact CD2-CG 3.76Å; L32-Y89 HydrophobicContact CG-CD2 3.73Å; L32-Y89 HydrophobicContact CG-CE2 4.21Å; L32-Y89 HydrophobicContact CG-CG 4.02Å; L32-L91 HydrophobicContact CD1-CD2 3.65Å; L32-L91 HydrophobicContact CG-CD2 3.9Å; L32-I113 HydrophobicContact CB-CB 4.17Å; L32-I113 HydrophobicContact CB-CG2 3.97Å; L32-I113 HydrophobicContact CD1-CG2 4.42Å; L32-I113 HydrophobicContact CD2-CG2 4.39Å; L32-I113 HydrophobicContact CG-CG2 4.49Å; L32-I113 PolarHBondContact N-O 3.29Å; L32-R115 HydrophobicContact CD1-CB 4.09Å; L32-R115 HydrophobicContact CD1-CG 3.6Å; L32-V131 HydrophobicContact CD1-CG2 4.39Å; L32-V131 HydrophobicContact CD2-CG1 3.75Å; L32-V131 HydrophobicContact CD2-CG2 4.34Å
33	V	92.9	Very high	89.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.1	173.1	-167.3	0	0	0	0	108.6	S35 W37 I65 N67 Y89 I90 L92 W97	V33-S35 PolarHBondContact O-N 3.47Å; V33-W37 HydrophobicContact CG1-CE3 3.79Å; V33-W37 HydrophobicContact CG1-CZ3 4.37Å; V33-I65 HydrophobicContact CG1-CG2 3.93Å; V33-N67 WeakPolarHBondContact CA-OD1 3.5Å; V33-Y89 CarbonylContact O-C 3.56Å; V33-Y89 WeakPolarHBondContact O-CA 3.45Å; V33-Y89 WeakPolarHBondContact O-CB 3.37Å; V33-I90 PolarHBondContact N-O 3.4Å; V33-I90 PolarHBondContact O-N 3.27Å; V33-L92 HydrophobicContact CG2-CD1 3.56Å; V33-L92 HydrophobicContact CG2-CG 4.08Å; V33-W97 HydrophobicContact CG2-CE3 3.91Å; V33-W97 HydrophobicContact CG2-CZ3 3.85Å
34	D	92.8	Very high	90	Very high	10 Å²	10	51.5 Å²	51.5	5%	0.053	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	130	173.9	-174	-73	0	0	0	110.7	R36 W37 F38 D66 N67 G69 L70	D34-R36 VanDerWaalsContact C-N 3.27Å; D34-R36 PolarHBondContact O-N 2.79Å; D34-R36 WeakPolarHBondContact OD1-CA 3.42Å; D34-R36 WeakPolarHBondContact OD1-CB 3.09Å; D34-R36 VanDerWaalsContact OD1-CG 3.23Å; D34-R36 WeakPolarHBondContact OD1-CG 3.37Å; D34-R36 PolarHBondContact OD1-N 2.81Å; D34-W37 PolarHBondContact O-N 2.85Å; D34-F38 PolarHBondContact O-N 3.37Å; D34-D66 WeakPolarHBondContact CB-O 3.36Å; D34-N67 PolarHBondContact N-OD1 3.27Å; D34-G69 WeakPolarHBondContact OD2-CA 3.34Å; D34-L70 HydrophobicContact CB-CD1 4.43Å; D34-L70 HydrophobicContact CB-CG 4.22Å
35	S	91.6	Very high	89.9	Confident	4 Å²	4	48.7 Å²	48.7	3%	0.028	22%	0.22	C	C	.	.	H	α-helix	trans	-70.4	-23.6	-173	79.4	0	0	0	0	112.6	V33 F38 K39 L87 D88	V33-S35 PolarHBondContact O-N 3.47Å; S35-F38 PolarHBondContact O-N 2.74Å; S35-K39 VanDerWaalsContact CB-NZ 3.31Å; S35-K39 WeakPolarHBondContact O-CB 3.34Å; S35-K39 WeakPolarHBondContact O-CD 3.39Å; S35-K39 WeakPolarHBondContact O-CG 3.43Å; S35-K39 PolarHBondContact O-N 2.92Å; S35-K39 PolarHBondContact OG-NZ 3.36Å; S35-L87 PolarHBondContact OG-O 2.62Å; S35-D88 WeakPolarHBondContact CB-O 3.46Å; S35-D88 PolarHBondContact N-O 3.15Å; S35-D88 PolarHBondContact OG-O 2.66Å; S35-D88 VanDerWaalsContact OG-O 3.12Å
36	R	91	Very high	89.7	Confident	189 Å²	189	41 Å²	41	71%	0.713	19%	0.191	S	C	*	.	H	α-helix	trans	-67.5	-49.1	176.2	-51.9	167.1	-179.4	-174.6	1.6	109.1	D34 F38 K39 Q40	D34-R36 VanDerWaalsContact C-N 3.27Å; D34-R36 PolarHBondContact O-N 2.79Å; D34-R36 WeakPolarHBondContact OD1-CA 3.42Å; D34-R36 WeakPolarHBondContact OD1-CB 3.09Å; D34-R36 VanDerWaalsContact OD1-CG 3.23Å; D34-R36 WeakPolarHBondContact OD1-CG 3.37Å; D34-R36 PolarHBondContact OD1-N 2.81Å; R36-F38 VanDerWaalsContact C-N 3.34Å; R36-F38 PolarHBondContact O-N 2.83Å; R36-K39 PolarHBondContact O-N 3.01Å; R36-Q40 PolarHBondContact O-N 3.09Å
37	W	93.9	Very high	89.7	Confident	15 Å²	15	37.5 Å²	37.5	6%	0.057	18%	0.176	C	C	.	.	H	α-helix	trans	-58	-47.6	173.2	-173.5	92.9	0	0	0	110.7	V33 D34 K39 Q40 W41 P62 G63 P64 I65 L100 Y104	V33-W37 HydrophobicContact CG1-CE3 3.79Å; V33-W37 HydrophobicContact CG1-CZ3 4.37Å; D34-W37 PolarHBondContact O-N 2.85Å; W37-K39 PolarHBondContact O-N 2.9Å; W37-Q40 WeakPolarHBondContact O-CB 3.41Å; W37-Q40 PolarHBondContact O-N 3.02Å; W37-Q40 VanDerWaalsContact O-N 3.16Å; W37-W41 HydrophobicContact CE3-CB 4.3Å; W37-W41 HydrophobicContact CH2-CB 3.99Å; W37-W41 HydrophobicContact CH2-CG 4.08Å; W37-W41 HydrophobicContact CZ3-CB 3.83Å; W37-W41 HydrophobicContact CZ3-CG 4.12Å; W37-W41 PolarHBondContact O-N 3.47Å; W37-P62 HydrophobicContact CD2-CB 4.43Å; W37-P62 HydrophobicContact CZ2-CB 3.91Å; W37-P62 HydrophobicContact CZ2-CG 3.93Å; W37-P62 PolarHBondContact NE1-O 2.88Å; W37-G63 PolarHBondContact NE1-O 3.32Å; W37-G63 VanDerWaalsContact NE1-O 3.1Å; W37-P64 VanDerWaalsContact CD1-O 3.32Å; W37-P64 PolarHBondContact NE1-O 3.18Å; W37-I65 HydrophobicContact CD2-CB 4.5Å; W37-I65 HydrophobicContact CD2-CG1 4.24Å; W37-I65 HydrophobicContact CE3-CG1 4.32Å; W37-I65 HydrophobicContact CH2-CG1 3.76Å; W37-I65 HydrophobicContact CZ2-CG1 3.61Å; W37-I65 HydrophobicContact CZ3-CG1 4.11Å; W37-L100 HydrophobicContact CZ3-CD1 4.1Å; W37-Y104 AromaticContact CH2-CD2 3.99Å; W37-Y104 HydrophobicContact CH2-CD2 3.99Å; W37-Y104 HydrophobicContact CH2-CG 4.14Å; W37-Y104 HydrophobicContact CZ2-CD1 4.28Å; W37-Y104 HydrophobicContact CZ2-CD2 4.16Å; W37-Y104 AromaticContact CZ2-CG 3.83Å; W37-Y104 HydrophobicContact CZ2-CG 3.83Å
38	F	92.1	Very high	89.7	Confident	7 Å²	7	37.6 Å²	37.6	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-66	-37.2	179.9	-162.4	-93.3	0	0	0	112.9	I16 L20 D34 S35 R36 Q40 W41 K42 I90 L92 L100	I16-F38 HydrophobicContact CG2-CE2 4.36Å; I16-F38 HydrophobicContact CG2-CZ 4.09Å; L20-F38 HydrophobicContact CD1-CZ 4.18Å; D34-F38 PolarHBondContact O-N 3.37Å; S35-F38 PolarHBondContact O-N 2.74Å; R36-F38 VanDerWaalsContact C-N 3.34Å; R36-F38 PolarHBondContact O-N 2.83Å; F38-Q40 VanDerWaalsContact C-N 3.32Å; F38-W41 HydrophobicContact CD2-CE3 4.25Å; F38-W41 HydrophobicContact CE1-CE3 4.22Å; F38-W41 HydrophobicContact CE1-CZ3 4.17Å; F38-W41 AromaticContact CE2-CE3 3.85Å; F38-W41 HydrophobicContact CE2-CE3 3.85Å; F38-W41 AromaticContact CE2-CZ3 3.99Å; F38-W41 HydrophobicContact CE2-CZ3 3.99Å; F38-W41 AromaticContact CZ-CE3 3.83Å; F38-W41 HydrophobicContact CZ-CE3 3.83Å; F38-W41 AromaticContact CZ-CZ3 3.62Å; F38-W41 HydrophobicContact CZ-CZ3 3.62Å; F38-W41 PolarHBondContact O-N 2.77Å; F38-K42 HydrophobicContact CD1-CD 4.48Å; F38-K42 HydrophobicContact CD1-CG 4.09Å; F38-K42 HydrophobicContact CE1-CD 4.16Å; F38-K42 HydrophobicContact CE1-CG 3.89Å; F38-K42 WeakPolarHBondContact O-CG 3.22Å; F38-K42 PolarHBondContact O-N 3.01Å; F38-I90 HydrophobicContact CB-CB 4.46Å; F38-I90 HydrophobicContact CB-CG1 3.96Å; F38-I90 HydrophobicContact CD1-CB 4.31Å; F38-I90 HydrophobicContact CD1-CD1 4.4Å; F38-I90 HydrophobicContact CD1-CG1 3.78Å; F38-I90 HydrophobicContact CD1-CG2 4.1Å; F38-I90 HydrophobicContact CD2-CG2 4.39Å; F38-I90 HydrophobicContact CE1-CG2 4.11Å; F38-I90 HydrophobicContact CE2-CG2 4.4Å; F38-I90 HydrophobicContact CG-CB 4.19Å; F38-I90 HydrophobicContact CG-CG1 3.92Å; F38-I90 HydrophobicContact CG-CG2 4.24Å; F38-I90 HydrophobicContact CZ-CG2 4.27Å; F38-L92 HydrophobicContact CE2-CD1 4.32Å; F38-L92 HydrophobicContact CE2-CD2 4.17Å; F38-L92 HydrophobicContact CZ-CD2 4.48Å; F38-L100 HydrophobicContact CD2-CD1 4.43Å; F38-L100 HydrophobicContact CE2-CD1 4.13Å
39	K	89.5	Confident	88.6	Confident	86 Å²	86	39.9 Å²	39.9	37%	0.374	19%	0.186	S	C	.	.	H	α-helix	trans	-66.8	-31.8	174.3	-73.5	157.3	-167.9	159.4	0	111.4	S35 R36 W37 K43 E86 L87	S35-K39 VanDerWaalsContact CB-NZ 3.31Å; S35-K39 WeakPolarHBondContact O-CB 3.34Å; S35-K39 WeakPolarHBondContact O-CD 3.39Å; S35-K39 WeakPolarHBondContact O-CG 3.43Å; S35-K39 PolarHBondContact O-N 2.92Å; S35-K39 PolarHBondContact OG-NZ 3.36Å; R36-K39 PolarHBondContact O-N 3.01Å; W37-K39 PolarHBondContact O-N 2.9Å; K39-K43 WeakPolarHBondContact O-CG 3.35Å; K39-K43 PolarHBondContact O-N 2.67Å; K39-E86 PolarHBondContact NZ-O 3.35Å; K39-L87 PolarHBondContact NZ-O 3.16Å; K39-L87 VanDerWaalsContact NZ-O 3.08Å
40	Q	89.3	Confident	87.4	Confident	81 Å²	81	45.8 Å²	45.8	38%	0.379	21%	0.205	S	C	.	.	H	α-helix	trans	-72.2	-45.6	172	-174.7	166.8	-22	0	0	111.7	R36 W37 F38 K42 K43 Y44 V60 Y61 P62	R36-Q40 PolarHBondContact O-N 3.09Å; W37-Q40 WeakPolarHBondContact O-CB 3.41Å; W37-Q40 PolarHBondContact O-N 3.02Å; W37-Q40 VanDerWaalsContact O-N 3.16Å; F38-Q40 VanDerWaalsContact C-N 3.32Å; Q40-K42 VanDerWaalsContact C-N 3.33Å; Q40-K42 PolarHBondContact O-N 3.08Å; Q40-K43 PolarHBondContact O-N 3.26Å; Q40-Y44 PolarHBondContact O-N 3.34Å; Q40-Y44 VanDerWaalsContact O-N 3.08Å; Q40-V60 HydrophobicContact CG-CG1 4.47Å; Q40-V60 VanDerWaalsContact CG-O 3.27Å; Q40-V60 WeakPolarHBondContact CG-O 3.44Å; Q40-Y61 PolarHBondContact NE2-O 3.41Å; Q40-P62 HydrophobicContact CB-CB 4.4Å; Q40-P62 HydrophobicContact CG-CB 4.12Å
41	W	92.4	Very high	86	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57	-43.2	173.2	172.2	84.1	0	0	0	112.2	Q12 I16 W37 F38 K43 Y44 V45 F47 P62 L100 Y104	Q12-W41 HydrophobicContact CB-CZ2 4.44Å; I16-W41 HydrophobicContact CB-CH2 3.63Å; I16-W41 HydrophobicContact CB-CZ2 4.12Å; I16-W41 HydrophobicContact CB-CZ3 4.47Å; I16-W41 HydrophobicContact CG1-CH2 3.96Å; I16-W41 HydrophobicContact CG1-CZ2 3.93Å; I16-W41 HydrophobicContact CG2-CH2 3.6Å; I16-W41 HydrophobicContact CG2-CZ2 4.38Å; I16-W41 HydrophobicContact CG2-CZ3 3.96Å; W37-W41 HydrophobicContact CE3-CB 4.3Å; W37-W41 HydrophobicContact CH2-CB 3.99Å; W37-W41 HydrophobicContact CH2-CG 4.08Å; W37-W41 HydrophobicContact CZ3-CB 3.83Å; W37-W41 HydrophobicContact CZ3-CG 4.12Å; W37-W41 PolarHBondContact O-N 3.47Å; F38-W41 HydrophobicContact CD2-CE3 4.25Å; F38-W41 HydrophobicContact CE1-CE3 4.22Å; F38-W41 HydrophobicContact CE1-CZ3 4.17Å; F38-W41 AromaticContact CE2-CE3 3.85Å; F38-W41 HydrophobicContact CE2-CE3 3.85Å; F38-W41 AromaticContact CE2-CZ3 3.99Å; F38-W41 HydrophobicContact CE2-CZ3 3.99Å; F38-W41 AromaticContact CZ-CE3 3.83Å; F38-W41 HydrophobicContact CZ-CE3 3.83Å; F38-W41 AromaticContact CZ-CZ3 3.62Å; F38-W41 HydrophobicContact CZ-CZ3 3.62Å; F38-W41 PolarHBondContact O-N 2.77Å; W41-K43 VanDerWaalsContact C-N 3.32Å; W41-K43 PolarHBondContact O-N 2.56Å; W41-Y44 PolarHBondContact O-N 2.87Å; W41-V45 HydrophobicContact CD2-CG1 4.39Å; W41-V45 HydrophobicContact CD2-CG2 4.34Å; W41-V45 HydrophobicContact CE3-CG2 4.45Å; W41-V45 HydrophobicContact CH2-CG2 3.87Å; W41-V45 HydrophobicContact CZ2-CB 4.43Å; W41-V45 HydrophobicContact CZ2-CG1 3.92Å; W41-V45 HydrophobicContact CZ2-CG2 3.77Å; W41-V45 HydrophobicContact CZ3-CG2 4.23Å; W41-V45 PolarHBondContact O-N 3.18Å; W41-F47 AromaticContact CH2-CD2 3.6Å; W41-F47 HydrophobicContact CH2-CD2 3.6Å; W41-F47 AromaticContact CH2-CE2 3.85Å; W41-F47 HydrophobicContact CH2-CE2 3.85Å; W41-F47 AromaticContact CZ3-CD2 3.52Å; W41-F47 HydrophobicContact CZ3-CD2 3.52Å; W41-F47 AromaticContact CZ3-CE2 3.83Å; W41-F47 HydrophobicContact CZ3-CE2 3.83Å; W41-F47 HydrophobicContact CZ3-CG 4.42Å; W41-P62 HydrophobicContact CB-CB 4.11Å; W41-P62 HydrophobicContact CB-CG 4.04Å; W41-L100 HydrophobicContact CD2-CD2 4.43Å; W41-L100 HydrophobicContact CZ2-CD2 4.2Å; W41-Y104 AromaticContact CD1-CE2 3.49Å; W41-Y104 VanDerWaalsContact CD1-CE2 3.49Å; W41-Y104 AromaticContact CD1-CZ 3.61Å; W41-Y104 AromaticContact NE1-CE2 3.53Å; W41-Y104 AromaticContact NE1-CZ 3.86Å
42	K	88.9	Confident	84.7	Confident	47 Å²	47	50 Å²	50	20%	0.204	22%	0.224	C	C	.	.	H	α-helix	trans	-55.9	-44.3	176.9	-81.8	-150.5	-58.8	164.5	0	112.8	F38 Q40 G46 F47 D48	F38-K42 HydrophobicContact CD1-CD 4.48Å; F38-K42 HydrophobicContact CD1-CG 4.09Å; F38-K42 HydrophobicContact CE1-CD 4.16Å; F38-K42 HydrophobicContact CE1-CG 3.89Å; F38-K42 WeakPolarHBondContact O-CG 3.22Å; F38-K42 PolarHBondContact O-N 3.01Å; Q40-K42 VanDerWaalsContact C-N 3.33Å; Q40-K42 PolarHBondContact O-N 3.08Å; K42-G46 PolarHBondContact O-N 3.41Å; K42-F47 HydrophobicContact CB-CB 3.77Å; K42-F47 HydrophobicContact CB-CG 4.39Å; K42-F47 HydrophobicContact CD-CB 3.99Å; K42-F47 HydrophobicContact CD-CD1 3.57Å; K42-F47 HydrophobicContact CD-CE1 4.14Å; K42-F47 HydrophobicContact CD-CG 3.78Å; K42-F47 HydrophobicContact CG-CB 3.8Å; K42-F47 HydrophobicContact CG-CD1 4.19Å; K42-F47 HydrophobicContact CG-CD2 4.32Å; K42-F47 HydrophobicContact CG-CG 3.86Å; K42-F47 VanDerWaalsContact O-CB 3.3Å; K42-F47 WeakPolarHBondContact O-CB 3.3Å; K42-F47 PolarHBondContact O-N 2.63Å; K42-D48 IonicContact NZ-OD1 3.13Å; K42-D48 IonicContact NZ-OD2 2.8Å; K42-D48 PolarHBondContact NZ-OD2 2.89Å
43	K	87.3	Confident	83.5	Confident	79 Å²	79	60.2 Å²	60.2	34%	0.343	27%	0.265	S	S	.	.	H	α-helix	trans	-64.4	-46.8	176.6	-65.7	178.2	175	-176.6	0	111.3	K39 Q40 W41 V45 G46 V60	K39-K43 WeakPolarHBondContact O-CG 3.35Å; K39-K43 PolarHBondContact O-N 2.67Å; Q40-K43 PolarHBondContact O-N 3.26Å; W41-K43 VanDerWaalsContact C-N 3.32Å; W41-K43 PolarHBondContact O-N 2.56Å; K43-V45 VanDerWaalsContact C-N 3.33Å; K43-V45 PolarHBondContact O-N 3.33Å; K43-G46 PolarHBondContact O-N 2.92Å; K43-V60 HydrophobicContact CB-CG1 3.52Å; K43-V60 HydrophobicContact CD-CG1 4.31Å
44	Y	87.6	Confident	82.1	Confident	39 Å²	39	64.2 Å²	64.2	15%	0.153	28%	0.283	C	S	.	.	H	α-helix	trans	-59	-38.1	-179.8	-179.6	-111.2	0	0	0	113.4	L9 Q40 W41 M55 G56 D57 Y61 Y104	L9-Y44 HydrophobicContact CD2-CD1 4.09Å; L9-Y44 HydrophobicContact CD2-CE1 3.48Å; L9-Y44 VanDerWaalsContact CD2-CE1 3.48Å; Q40-Y44 PolarHBondContact O-N 3.34Å; Q40-Y44 VanDerWaalsContact O-N 3.08Å; W41-Y44 PolarHBondContact O-N 2.87Å; Y44-M55 CarbonylContact O-C 3.54Å; Y44-M55 WeakPolarHBondContact O-CA 3.42Å; Y44-G56 PolarHBondContact O-N 2.84Å; Y44-D57 WeakPolarHBondContact CD2-O 3.19Å; Y44-Y61 HydrophobicContact CD1-CD2 4.44Å; Y44-Y61 AromaticContact CE1-CD2 3.87Å; Y44-Y61 HydrophobicContact CE1-CD2 3.87Å; Y44-Y61 HydrophobicContact CE1-CE2 4.32Å; Y44-Y61 HydrophobicContact CE2-CD2 4Å; Y44-Y61 AromaticContact CZ-CD2 3.65Å; Y44-Y104 HydrophobicContact CD1-CE1 4.5Å; Y44-Y104 HydrophobicContact CE1-CE1 4.36Å; Y44-Y104 WeakPolarHBondContact CE1-OH 3.28Å
45	V	86.6	Confident	81.3	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	2.2	176.2	-52.1	0	0	0	0	114.4	L9 Q12 R13 W41 K43 F47	L9-V45 HydrophobicContact CD2-CG1 4.23Å; Q12-V45 HydrophobicContact CB-CG1 4.24Å; R13-V45 HydrophobicContact CB-CB 4.33Å; R13-V45 HydrophobicContact CB-CG2 4.05Å; R13-V45 HydrophobicContact CG-CG2 4.36Å; R13-V45 PolarHBondContact NH1-O 3.01Å; W41-V45 HydrophobicContact CD2-CG1 4.39Å; W41-V45 HydrophobicContact CD2-CG2 4.34Å; W41-V45 HydrophobicContact CE3-CG2 4.45Å; W41-V45 HydrophobicContact CH2-CG2 3.87Å; W41-V45 HydrophobicContact CZ2-CB 4.43Å; W41-V45 HydrophobicContact CZ2-CG1 3.92Å; W41-V45 HydrophobicContact CZ2-CG2 3.77Å; W41-V45 HydrophobicContact CZ3-CG2 4.23Å; W41-V45 PolarHBondContact O-N 3.18Å; K43-V45 VanDerWaalsContact C-N 3.33Å; K43-V45 PolarHBondContact O-N 3.33Å; V45-F47 HydrophobicContact CG2-CB 3.91Å; V45-F47 HydrophobicContact CG2-CD2 4.22Å
46	G	83.3	Confident	80.2	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.01	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	47.8	-174.4	0	0	0	0	0	112.4	R13 K42 K43	R13-G46 WeakPolarHBondContact CD-O 3.47Å; K42-G46 PolarHBondContact O-N 3.41Å; K43-G46 PolarHBondContact O-N 2.92Å
47	F	83	Confident	79.4	Confident	48 Å²	48	62.1 Å²	62.1	21%	0.211	29%	0.293	C	S	.	.			trans	-67	-51.3	-171.8	-166.1	-80.7	0	0	0	112.6	R13 A17 L20 W41 K42 V45	R13-F47 HydrophobicContact CG-CB 4.45Å; R13-F47 HydrophobicContact CG-CD2 3.84Å; R13-F47 HydrophobicContact CG-CE2 4.45Å; R13-F47 HydrophobicContact CG-CG 4.3Å; A17-F47 HydrophobicContact CB-CE2 3.79Å; A17-F47 HydrophobicContact CB-CZ 3.71Å; L20-F47 HydrophobicContact CD1-CE2 4.42Å; L20-F47 HydrophobicContact CD1-CZ 3.91Å; W41-F47 AromaticContact CH2-CD2 3.6Å; W41-F47 HydrophobicContact CH2-CD2 3.6Å; W41-F47 AromaticContact CH2-CE2 3.85Å; W41-F47 HydrophobicContact CH2-CE2 3.85Å; W41-F47 AromaticContact CZ3-CD2 3.52Å; W41-F47 HydrophobicContact CZ3-CD2 3.52Å; W41-F47 AromaticContact CZ3-CE2 3.83Å; W41-F47 HydrophobicContact CZ3-CE2 3.83Å; W41-F47 HydrophobicContact CZ3-CG 4.42Å; K42-F47 HydrophobicContact CB-CB 3.77Å; K42-F47 HydrophobicContact CB-CG 4.39Å; K42-F47 HydrophobicContact CD-CB 3.99Å; K42-F47 HydrophobicContact CD-CD1 3.57Å; K42-F47 HydrophobicContact CD-CE1 4.14Å; K42-F47 HydrophobicContact CD-CG 3.78Å; K42-F47 HydrophobicContact CG-CB 3.8Å; K42-F47 HydrophobicContact CG-CD1 4.19Å; K42-F47 HydrophobicContact CG-CD2 4.32Å; K42-F47 HydrophobicContact CG-CG 3.86Å; K42-F47 VanDerWaalsContact O-CB 3.3Å; K42-F47 WeakPolarHBondContact O-CB 3.3Å; K42-F47 PolarHBondContact O-N 2.63Å; V45-F47 HydrophobicContact CG2-CB 3.91Å; V45-F47 HydrophobicContact CG2-CD2 4.22Å
48	D	81.3	Confident	78.3	Confident	43 Å²	43	69.7 Å²	69.7	23%	0.23	33%	0.329	C	S	.	.	S	Bend	trans	-87.6	157.9	178.4	-64.7	-38.5	0	0	0	111.3	K42 W50 D51	K42-D48 IonicContact NZ-OD1 3.13Å; K42-D48 IonicContact NZ-OD2 2.8Å; K42-D48 PolarHBondContact NZ-OD2 2.89Å; D48-W50 PolarHBondContact O-N 2.9Å; D48-W50 VanDerWaalsContact O-N 3.08Å; D48-D51 PolarHBondContact O-N 2.89Å; D48-D51 VanDerWaalsContact O-N 3.09Å
49	S	65.8	Low	77.5	Confident	102 Å²	102	76.3 Å²	76.3	71%	0.713	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.3	-171.6	56.3	0	0	0	0	114.9
50	W	65	Low	76.9	Confident	160 Å²	160	73.1 Å²	73.1	61%	0.606	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-22.8	179.8	54.8	-81.1	0	0	0	113	D48 K52	D48-W50 PolarHBondContact O-N 2.9Å; D48-W50 VanDerWaalsContact O-N 3.08Å; W50-K52 VanDerWaalsContact C-N 3.25Å; W50-K52 PolarHBondContact O-N 2.85Å
51	D	64.8	Low	76.8	Confident	3 Å²	3	74.2 Å²	74.2	2%	0.016	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-75.4	-10.1	179.2	-78.2	-31.7	0	0	0	113.6	D48 Y53 Q54	D48-D51 PolarHBondContact O-N 2.89Å; D48-D51 VanDerWaalsContact O-N 3.09Å; D51-Y53 PolarHBondContact O-N 3.31Å; D51-Q54 PolarHBondContact O-N 2.88Å
52	K	66.3	Low	76.5	Confident	135 Å²	135	74.7 Å²	74.7	59%	0.587	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-53.3	-23	-178.3	-74.1	-169.9	171.2	-171.9	0	115.1	W50	W50-K52 VanDerWaalsContact C-N 3.25Å; W50-K52 PolarHBondContact O-N 2.85Å
53	Y	68.2	Low	76.5	Confident	216 Å²	216	73.1 Å²	73.1	85%	0.847	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-81	-11.6	177.6	-59.4	-78	0	0	0	114.2	D51	D51-Y53 PolarHBondContact O-N 3.31Å
54	Q	63.2	Low	76.7	Confident	83 Å²	83	72.3 Å²	72.3	39%	0.388	36%	0.357	S	S	.	.	S	Bend	trans	-112.6	4	179.7	-62.3	-179	7.3	0	0	112.7	D51 G56 D57	D51-Q54 PolarHBondContact O-N 2.88Å; Q54-G56 PolarHBondContact O-N 2.89Å; Q54-D57 WeakPolarHBondContact O-CB 3.16Å; Q54-D57 PolarHBondContact O-N 2.83Å; Q54-D57 VanDerWaalsContact O-N 3.07Å
55	M	75.7	Confident	76.9	Confident	62 Å²	62	70.4 Å²	70.4	31%	0.305	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	119.6	-178.4	-175.9	174.8	172.4	0	0	111.4	L9 D10 Y44	L9-M55 HydrophobicContact CB-CE 3.57Å; L9-M55 HydrophobicContact CD1-CG 4.26Å; D10-M55 WeakPolarHBondContact OD1-CE 3.32Å; Y44-M55 CarbonylContact O-C 3.54Å; Y44-M55 WeakPolarHBondContact O-CA 3.42Å
56	G	68.3	Low	77.1	Confident	37 Å²	37	72.4 Å²	72.4	38%	0.381	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	6.9	-177.3	0	0	0	0	0	115.7	Y44 Q54 Q58	Y44-G56 PolarHBondContact O-N 2.84Å; Q54-G56 PolarHBondContact O-N 2.89Å; G56-Q58 PolarHBondContact O-N 3.12Å
57	D	74.8	Confident	77.5	Confident	61 Å²	61	72.4 Å²	72.4	33%	0.326	36%	0.36	S	S	.	.			trans	-66.2	121.6	176.1	-173.8	-4.6	0	0	0	111.2	Y44 Q54 N59 V60 Y61	Y44-D57 WeakPolarHBondContact CD2-O 3.19Å; Q54-D57 WeakPolarHBondContact O-CB 3.16Å; Q54-D57 PolarHBondContact O-N 2.83Å; Q54-D57 VanDerWaalsContact O-N 3.07Å; D57-N59 PolarHBondContact O-N 2.82Å; D57-N59 WeakPolarHBondContact OD1-CB 3.49Å; D57-N59 PolarHBondContact OD1-N 3.19Å; D57-N59 PolarHBondContact OD1-ND2 2.85Å; D57-V60 HydrophobicContact CB-CB 4.36Å; D57-V60 HydrophobicContact CB-CG2 3.93Å; D57-V60 PolarHBondContact O-N 3.26Å; D57-Y61 PolarHBondContact O-N 3.23Å
58	Q	71.4	Confident	77.7	Confident	174 Å²	174	72.9 Å²	72.9	81%	0.813	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-61.9	-25.8	178.7	-166	173.5	18.2	0	0	112.7	G56 V60	G56-Q58 PolarHBondContact O-N 3.12Å; Q58-V60 PolarHBondContact O-N 3.18Å
59	N	74.5	Confident	77.9	Confident	145 Å²	145	71.7 Å²	71.7	78%	0.775	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-70.9	-14.6	174	-57.9	-79	0	0	0	113.1	D57	D57-N59 PolarHBondContact O-N 2.82Å; D57-N59 WeakPolarHBondContact OD1-CB 3.49Å; D57-N59 PolarHBondContact OD1-N 3.19Å; D57-N59 PolarHBondContact OD1-ND2 2.85Å
60	V	77.8	Confident	78.9	Confident	20 Å²	20	67 Å²	67	12%	0.121	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-113.5	-1.6	-175.9	-166.6	0	0	0	0	111.4	Q40 K43 D57 Q58	Q40-V60 HydrophobicContact CG-CG1 4.47Å; Q40-V60 VanDerWaalsContact CG-O 3.27Å; Q40-V60 WeakPolarHBondContact CG-O 3.44Å; K43-V60 HydrophobicContact CB-CG1 3.52Å; K43-V60 HydrophobicContact CD-CG1 4.31Å; D57-V60 HydrophobicContact CB-CB 4.36Å; D57-V60 HydrophobicContact CB-CG2 3.93Å; D57-V60 PolarHBondContact O-N 3.26Å; Q58-V60 PolarHBondContact O-N 3.18Å
61	Y	86.4	Confident	79.9	Confident	103 Å²	103	60 Å²	60	40%	0.404	31%	0.309	S	S	.	.			trans	-51.2	126.9	175	-177.8	-106.2	0	0	0	110.9	Q40 Y44 D57 G63 Y104	Q40-Y61 PolarHBondContact NE2-O 3.41Å; Y44-Y61 HydrophobicContact CD1-CD2 4.44Å; Y44-Y61 AromaticContact CE1-CD2 3.87Å; Y44-Y61 HydrophobicContact CE1-CD2 3.87Å; Y44-Y61 HydrophobicContact CE1-CE2 4.32Å; Y44-Y61 HydrophobicContact CE2-CD2 4Å; Y44-Y61 AromaticContact CZ-CD2 3.65Å; D57-Y61 PolarHBondContact O-N 3.23Å; Y61-G63 VanDerWaalsContact C-N 3.35Å; Y61-G63 PolarHBondContact O-N 3.11Å; Y61-Y104 HydrophobicContact CD2-CE1 4.36Å; Y61-Y104 HydrophobicContact CE2-CD1 4.1Å; Y61-Y104 AromaticContact CE2-CE1 3.7Å; Y61-Y104 HydrophobicContact CE2-CE1 3.7Å
62	P	86.4	Confident	80.7	Confident	11 Å²	11	63.7 Å²	63.7	7%	0.071	33%	0.325	C	S	.	.			trans	-79.2	-13.7	-169.5	32.1	-37.9	0	0	0	114.4	W37 Q40 W41 Y104	W37-P62 HydrophobicContact CD2-CB 4.43Å; W37-P62 HydrophobicContact CZ2-CB 3.91Å; W37-P62 HydrophobicContact CZ2-CG 3.93Å; W37-P62 PolarHBondContact NE1-O 2.88Å; Q40-P62 HydrophobicContact CB-CB 4.4Å; Q40-P62 HydrophobicContact CG-CB 4.12Å; W41-P62 HydrophobicContact CB-CB 4.11Å; W41-P62 HydrophobicContact CB-CG 4.04Å; P62-Y104 HydrophobicContact CG-CD1 3.75Å; P62-Y104 HydrophobicContact CG-CE1 3.5Å; P62-Y104 VanDerWaalsContact CG-CE1 3.5Å
63	G	88.4	Confident	81	Confident	13 Å²	13	64.5 Å²	64.5	13%	0.134	34%	0.335	C	S	.	.			trans	66.3	-168.8	-173.4	0	0	0	0	0	113.1	W37 Y61	W37-G63 PolarHBondContact NE1-O 3.32Å; W37-G63 VanDerWaalsContact NE1-O 3.1Å; Y61-G63 VanDerWaalsContact C-N 3.35Å; Y61-G63 PolarHBondContact O-N 3.11Å
64	P	91.3	Very high	80.6	Confident	62 Å²	62	58.7 Å²	58.7	40%	0.403	34%	0.341	S	S	.	.	S	Bend	trans	-58.1	148.1	172.4	-22.2	34.2	0	0	0	112.3	W37 D66 Y104	W37-P64 VanDerWaalsContact CD1-O 3.32Å; W37-P64 PolarHBondContact NE1-O 3.18Å; P64-D66 PolarHBondContact O-N 3.27Å; P64-D66 VanDerWaalsContact O-N 3.12Å; P64-Y104 VanDerWaalsContact CA-O 3.26Å; P64-Y104 WeakPolarHBondContact CA-O 3.37Å
65	I	92.4	Very high	80.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-60.1	116.6	176.6	-59.6	167.5	0	0	0	108.4	V33 W37 W97 L100 V101 T105 L106 M107	V33-I65 HydrophobicContact CG1-CG2 3.93Å; W37-I65 HydrophobicContact CD2-CB 4.5Å; W37-I65 HydrophobicContact CD2-CG1 4.24Å; W37-I65 HydrophobicContact CE3-CG1 4.32Å; W37-I65 HydrophobicContact CH2-CG1 3.76Å; W37-I65 HydrophobicContact CZ2-CG1 3.61Å; W37-I65 HydrophobicContact CZ3-CG1 4.11Å; I65-W97 HydrophobicContact CD1-CH2 4.25Å; I65-W97 HydrophobicContact CD1-CZ3 4.01Å; I65-W97 HydrophobicContact CG2-CH2 4.18Å; I65-W97 HydrophobicContact CG2-CZ3 4.09Å; I65-L100 HydrophobicContact CD1-CB 3.96Å; I65-V101 HydrophobicContact CD1-CG2 3.83Å; I65-T105 PolarHBondContact N-O 3.38Å; I65-L106 HydrophobicContact CB-CD1 4.02Å; I65-L106 HydrophobicContact CG2-CD1 4.06Å; I65-M107 WeakPolarHBondContact O-CB 3.36Å; I65-M107 PolarHBondContact O-N 3.34Å
66	D	90.7	Very high	80.2	Confident	42 Å²	42	57.6 Å²	57.6	23%	0.225	35%	0.347	C	S	.	.			trans	-109.9	117.9	175	179.8	17.7	0	0	0	109.9	D34 P64 S68 M107 Q110	D34-D66 WeakPolarHBondContact CB-O 3.36Å; P64-D66 PolarHBondContact O-N 3.27Å; P64-D66 VanDerWaalsContact O-N 3.12Å; D66-S68 WeakPolarHBondContact OD1-CB 3.31Å; D66-S68 PolarHBondContact OD1-N 3.24Å; D66-S68 PolarHBondContact OD1-OG 2.91Å; D66-S68 PolarHBondContact OD2-OG 3.35Å; D66-M107 HydrophobicContact CB-CE 3.82Å; D66-M107 HydrophobicContact CB-SD 4.24Å; D66-Q110 PolarHBondContact OD1-NE2 3.36Å
67	N	92.1	Very high	79.8	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	36%	0.359	C	S	.	.			trans	-104.2	11.4	175.2	-67.6	-41.1	0	0	0	113.3	V33 D34 G69 L70 L71 I113	V33-N67 WeakPolarHBondContact CA-OD1 3.5Å; D34-N67 PolarHBondContact N-OD1 3.27Å; N67-G69 PolarHBondContact O-N 3.14Å; N67-G69 VanDerWaalsContact O-N 3.15Å; N67-L70 HydrophobicContact CB-CD1 4.49Å; N67-L70 WeakPolarHBondContact O-CB 3.32Å; N67-L70 PolarHBondContact O-N 2.89Å; N67-L71 PolarHBondContact O-N 2.91Å; N67-I113 HydrophobicContact CB-CD1 3.71Å
68	S	87.4	Confident	79.8	Confident	59 Å²	59	60.9 Å²	60.9	41%	0.413	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-53	-35.5	-179.4	64.4	0	0	0	0	113.2	D66 L70 L71 K80	D66-S68 WeakPolarHBondContact OD1-CB 3.31Å; D66-S68 PolarHBondContact OD1-N 3.24Å; D66-S68 PolarHBondContact OD1-OG 2.91Å; D66-S68 PolarHBondContact OD2-OG 3.35Å; S68-L70 PolarHBondContact O-N 2.92Å; S68-L71 PolarHBondContact O-N 2.65Å; S68-K80 PolarHBondContact O-NZ 2.79Å
69	G	84.3	Confident	80.4	Confident	18 Å²	18	53.2 Å²	53.2	19%	0.186	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-56.7	-33.2	174.8	0	0	0	0	0	113.5	D34 N67 K80	D34-G69 WeakPolarHBondContact OD2-CA 3.34Å; N67-G69 PolarHBondContact O-N 3.14Å; N67-G69 VanDerWaalsContact O-N 3.15Å; G69-K80 WeakPolarHBondContact O-CD 3.2Å; G69-K80 PolarHBondContact O-NZ 3Å
70	L	87.5	Confident	80.8	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.01	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-87.5	-19.6	-176.9	-52.4	-177.5	0	0	0	114.2	L32 D34 N67 S68 L79 K80 L83 D88 I113	L32-L70 HydrophobicContact CB-CD1 4.21Å; D34-L70 HydrophobicContact CB-CD1 4.43Å; D34-L70 HydrophobicContact CB-CG 4.22Å; N67-L70 HydrophobicContact CB-CD1 4.49Å; N67-L70 WeakPolarHBondContact O-CB 3.32Å; N67-L70 PolarHBondContact O-N 2.89Å; S68-L70 PolarHBondContact O-N 2.92Å; L70-L79 HydrophobicContact CB-CD2 3.96Å; L70-L79 CarbonylContact O-C 3.56Å; L70-L79 WeakPolarHBondContact O-CA 3.45Å; L70-L79 WeakPolarHBondContact O-CD2 3.16Å; L70-K80 PolarHBondContact O-N 3.02Å; L70-L83 HydrophobicContact CB-CD1 4.23Å; L70-L83 HydrophobicContact CD2-CD1 4.27Å; L70-L83 HydrophobicContact CD2-CD2 4.06Å; L70-D88 HydrophobicContact CD2-CB 4.32Å; L70-I113 HydrophobicContact CB-CD1 4.27Å; L70-I113 HydrophobicContact CD1-CD1 4.17Å
71	L	86.7	Confident	80.9	Confident	14 Å²	14	54.1 Å²	54.1	7%	0.073	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	154.6	-172	-64.3	169.9	0	0	0	112.3	N67 S68 A76 S78 L79 K80 I113	N67-L71 PolarHBondContact O-N 2.91Å; S68-L71 PolarHBondContact O-N 2.65Å; L71-A76 WeakPolarHBondContact CD2-O 3.2Å; L71-S78 CarbonylContact C-O 3.55Å; L71-S78 WeakPolarHBondContact CA-O 3.48Å; L71-L79 HydrophobicContact CD2-CD2 4.48Å; L71-K80 WeakPolarHBondContact O-CE 3.36Å; L71-K80 WeakPolarHBondContact O-CG 3.36Å; L71-K80 PolarHBondContact O-NZ 3.02Å; L71-I113 HydrophobicContact CD2-CD1 3.99Å; L71-I113 HydrophobicContact CG-CD1 4.33Å
72	K	81.9	Confident	80.5	Confident	81 Å²	81	57 Å²	57	35%	0.352	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	144.1	175.6	-69.5	-167.6	177.1	-168.4	0	111	G74 D75 S78 L79 K80 E81	K72-G74 PolarHBondContact O-N 3.29Å; K72-D75 CarbonylContact O-C 3.48Å; K72-D75 PolarHBondContact O-N 2.89Å; K72-S78 PolarHBondContact N-O 2.93Å; K72-L79 VanDerWaalsContact CE-O 3.26Å; K72-L79 WeakPolarHBondContact CE-O 3.32Å; K72-K80 HydrophobicContact CG-CG 4.34Å; K72-E81 IonicContact NZ-OE1 2.69Å; K72-E81 PolarHBondContact NZ-OE1 3.34Å
73	D	71.1	Confident	80.2	Confident	152 Å²	152	57.4 Å²	57.4	81%	0.813	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	121	179	-51.1	-68.6	0	0	0	109.9
74	G	60.9	Low	79.6	Confident	93 Å²	93	61.3 Å²	61.3	96%	0.959	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	-8.5	-175.2	0	0	0	0	0	116.5	K72	K72-G74 PolarHBondContact O-N 3.29Å
75	D	68.3	Low	79	Confident	66 Å²	66	61.8 Å²	61.8	35%	0.353	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	101.7	176.9	-179.5	-10.3	0	0	0	111.4	K72 Q77 S78	K72-D75 CarbonylContact O-C 3.48Å; K72-D75 PolarHBondContact O-N 2.89Å; D75-Q77 PolarHBondContact O-N 3.12Å; D75-Q77 VanDerWaalsContact O-N 3.17Å; D75-Q77 WeakPolarHBondContact OD1-CA 3.47Å; D75-Q77 PolarHBondContact OD1-N 3.34Å; D75-S78 VanDerWaalsContact CG-CB 3.49Å; D75-S78 PolarHBondContact O-N 2.97Å; D75-S78 PolarHBondContact OD1-N 3.27Å; D75-S78 WeakPolarHBondContact OD2-CB 3.25Å; D75-S78 PolarHBondContact OD2-OG 3.38Å
76	A	60.9	Low	78.4	Confident	57 Å²	57	69 Å²	69	47%	0.471	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	-4.2	-179.5	0	0	0	0	0	115.2	L71	L71-A76 WeakPolarHBondContact CD2-O 3.2Å
77	Q	59.7	Low	77.8	Confident	137 Å²	137	71.9 Å²	71.9	64%	0.64	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	-23.1	177.9	-68.6	-176.5	-19.6	0	0	113.5	D75 E111	D75-Q77 PolarHBondContact O-N 3.12Å; D75-Q77 VanDerWaalsContact O-N 3.17Å; D75-Q77 WeakPolarHBondContact OD1-CA 3.47Å; D75-Q77 PolarHBondContact OD1-N 3.34Å; Q77-E111 PolarHBondContact NE2-OE2 2.77Å
78	S	76.3	Confident	77.4	Confident	29 Å²	29	74.4 Å²	74.4	20%	0.203	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.3	176	-75.1	0	0	0	0	113	L71 K72 D75	L71-S78 CarbonylContact C-O 3.55Å; L71-S78 WeakPolarHBondContact CA-O 3.48Å; K72-S78 PolarHBondContact N-O 2.93Å; D75-S78 VanDerWaalsContact CG-CB 3.49Å; D75-S78 PolarHBondContact O-N 2.97Å; D75-S78 PolarHBondContact OD1-N 3.27Å; D75-S78 WeakPolarHBondContact OD2-CB 3.25Å; D75-S78 PolarHBondContact OD2-OG 3.38Å
79	L	84.1	Confident	77.6	Confident	14 Å²	14	72.5 Å²	72.5	7%	0.073	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	146.4	167.6	-73.4	178.6	0	0	0	111.8	L32 L70 L71 K72 L83 I113 R115 V131 Y132	L32-L79 HydrophobicContact CD2-CD1 4.25Å; L70-L79 HydrophobicContact CB-CD2 3.96Å; L70-L79 CarbonylContact O-C 3.56Å; L70-L79 WeakPolarHBondContact O-CA 3.45Å; L70-L79 WeakPolarHBondContact O-CD2 3.16Å; L71-L79 HydrophobicContact CD2-CD2 4.48Å; K72-L79 VanDerWaalsContact CE-O 3.26Å; K72-L79 WeakPolarHBondContact CE-O 3.32Å; L79-L83 HydrophobicContact CB-CD1 4.17Å; L79-L83 HydrophobicContact CD1-CD1 4.43Å; L79-L83 HydrophobicContact CD2-CD1 3.92Å; L79-L83 HydrophobicContact CG-CD1 4.41Å; L79-I113 HydrophobicContact CD1-CG2 4.45Å; L79-I113 HydrophobicContact CD2-CD1 4.02Å; L79-I113 HydrophobicContact CD2-CG2 4.01Å; L79-I113 HydrophobicContact CG-CG2 4.46Å; L79-R115 VanDerWaalsContact CD1-NH2 3.26Å; L79-V131 HydrophobicContact CD1-CG1 3.74Å; L79-Y132 HydrophobicContact CB-CE1 4.13Å; L79-Y132 HydrophobicContact CD1-CE1 4.37Å
80	K	83.3	Confident	77.9	Confident	63 Å²	63	72.7 Å²	72.7	27%	0.274	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-56.9	152.5	158.5	-65	-169.3	174.1	79.1	0	109.7	S68 G69 L70 L71 K72 L83 Y132	S68-K80 PolarHBondContact O-NZ 2.79Å; G69-K80 WeakPolarHBondContact O-CD 3.2Å; G69-K80 PolarHBondContact O-NZ 3Å; L70-K80 PolarHBondContact O-N 3.02Å; L71-K80 WeakPolarHBondContact O-CE 3.36Å; L71-K80 WeakPolarHBondContact O-CG 3.36Å; L71-K80 PolarHBondContact O-NZ 3.02Å; K72-K80 HydrophobicContact CG-CG 4.34Å; K80-L83 HydrophobicContact CB-CD1 4.45Å; K80-L83 HydrophobicContact CB-CD2 4.19Å; K80-L83 HydrophobicContact CB-CG 4.29Å; K80-L83 WeakPolarHBondContact O-CD1 3.29Å; K80-Y132 WeakPolarHBondContact O-CE1 3.49Å; K80-Y132 PolarHBondContact O-OH 3.09Å
81	E	79.3	Confident	78.1	Confident	121 Å²	121	73.9 Å²	73.9	57%	0.565	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	157.9	179.3	-75.6	161.3	-127.1	0	0	111.4	K72 L83	K72-E81 IonicContact NZ-OE1 2.69Å; K72-E81 PolarHBondContact NZ-OE1 3.34Å; E81-L83 VanDerWaalsContact C-N 3.28Å; E81-L83 PolarHBondContact O-N 3.13Å
82	H	76.9	Confident	78.3	Confident	162 Å²	162	73.2 Å²	73.2	75%	0.75	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	21.2	177.7	-53	-74	0	0	0	117.2	I84 Y132	H82-I84 WeakPolarHBondContact O-CG1 3.39Å; H82-Y132 PolarHBondContact N-OH 2.93Å
83	L	81.1	Confident	78.9	Confident	20 Å²	20	69.9 Å²	69.9	11%	0.105	38%	0.381	C	S	.	.			trans	-59.6	136.1	175.4	-63.8	166.9	0	0	0	111.9	L70 L79 K80 E81 D88 Y89 Y132	L70-L83 HydrophobicContact CB-CD1 4.23Å; L70-L83 HydrophobicContact CD2-CD1 4.27Å; L70-L83 HydrophobicContact CD2-CD2 4.06Å; L79-L83 HydrophobicContact CB-CD1 4.17Å; L79-L83 HydrophobicContact CD1-CD1 4.43Å; L79-L83 HydrophobicContact CD2-CD1 3.92Å; L79-L83 HydrophobicContact CG-CD1 4.41Å; K80-L83 HydrophobicContact CB-CD1 4.45Å; K80-L83 HydrophobicContact CB-CD2 4.19Å; K80-L83 HydrophobicContact CB-CG 4.29Å; K80-L83 WeakPolarHBondContact O-CD1 3.29Å; E81-L83 VanDerWaalsContact C-N 3.28Å; E81-L83 PolarHBondContact O-N 3.13Å; L83-D88 HydrophobicContact CB-CB 4.42Å; L83-D88 HydrophobicContact CD2-CB 3.86Å; L83-Y89 HydrophobicContact CB-CD1 3.84Å; L83-Y89 HydrophobicContact CB-CE1 3.69Å; L83-Y132 VanDerWaalsContact CB-OH 3.27Å; L83-Y132 WeakPolarHBondContact CB-OH 3.21Å; L83-Y132 VanDerWaalsContact CG-OH 3.32Å; L83-Y132 WeakPolarHBondContact CG-OH 3.28Å; L83-Y132 PolarHBondContact N-OH 3.36Å
84	I	76.1	Confident	79.9	Confident	95 Å²	95	65.1 Å²	65.1	49%	0.487	36%	0.358	S	S	.	.			trans	-108.6	134.9	-174.6	-59.8	175.9	0	0	0	110.5	H82 L87 D88 Y89	H82-I84 WeakPolarHBondContact O-CG1 3.39Å; I84-L87 HydrophobicContact CB-CB 3.93Å; I84-L87 HydrophobicContact CB-CD2 4.04Å; I84-L87 HydrophobicContact CD1-CD2 3.92Å; I84-L87 HydrophobicContact CG1-CD2 4.47Å; I84-L87 HydrophobicContact CG2-CB 3.81Å; I84-L87 HydrophobicContact CG2-CD2 4.29Å; I84-L87 PolarHBondContact O-N 3.08Å; I84-D88 PolarHBondContact N-OD2 3.12Å; I84-D88 PolarHBondContact O-N 2.7Å; I84-Y89 PolarHBondContact O-N 3.28Å
85	D	79.1	Confident	81.3	Confident	72 Å²	72	67 Å²	67	39%	0.385	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-65	144.6	176.7	-156.8	1.4	0	0	0	111	L87 Y89 L91	D85-L87 PolarHBondContact O-N 3Å; D85-Y89 HydrophobicContact CB-CE2 3.9Å; D85-Y89 WeakPolarHBondContact OD1-CE2 3.27Å; D85-L91 WeakPolarHBondContact OD2-CD1 3.07Å
86	E	79.5	Confident	82.4	Confident	151 Å²	151	63.9 Å²	63.9	71%	0.706	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	-28.3	-167.7	-55.5	-167.8	158.8	0	0	116.9	K39 Y89 I90	K39-E86 PolarHBondContact NZ-O 3.35Å; E86-Y89 WeakPolarHBondContact CA-O 3.16Å; E86-Y89 PolarHBondContact N-O 3.25Å; E86-I90 HydrophobicContact CB-CD1 4.47Å; E86-I90 HydrophobicContact CG-CD1 4.46Å
87	L	77.1	Confident	84	Confident	104 Å²	104	61.5 Å²	61.5	55%	0.545	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-56.3	177.6	-171.9	73.2	0	0	0	111.6	S35 K39 I84 D85	S35-L87 PolarHBondContact OG-O 2.62Å; K39-L87 PolarHBondContact NZ-O 3.16Å; K39-L87 VanDerWaalsContact NZ-O 3.08Å; I84-L87 HydrophobicContact CB-CB 3.93Å; I84-L87 HydrophobicContact CB-CD2 4.04Å; I84-L87 HydrophobicContact CD1-CD2 3.92Å; I84-L87 HydrophobicContact CG1-CD2 4.47Å; I84-L87 HydrophobicContact CG2-CB 3.81Å; I84-L87 HydrophobicContact CG2-CD2 4.29Å; I84-L87 PolarHBondContact O-N 3.08Å; D85-L87 PolarHBondContact O-N 3Å
88	D	83.9	Confident	85.5	Confident	53 Å²	53	59.2 Å²	59.2	28%	0.283	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-46.6	-174.3	-58.9	-53.5	0	0	0	111.5	S35 L70 L83 I84	S35-D88 WeakPolarHBondContact CB-O 3.46Å; S35-D88 PolarHBondContact N-O 3.15Å; S35-D88 PolarHBondContact OG-O 2.66Å; S35-D88 VanDerWaalsContact OG-O 3.12Å; L70-D88 HydrophobicContact CD2-CB 4.32Å; L83-D88 HydrophobicContact CB-CB 4.42Å; L83-D88 HydrophobicContact CD2-CB 3.86Å; I84-D88 PolarHBondContact N-OD2 3.12Å; I84-D88 PolarHBondContact O-N 2.7Å
89	Y	91.8	Very high	86.3	Confident	18 Å²	18	61 Å²	61	7%	0.071	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	169.2	176.7	61.5	-91	0	0	0	113.2	L32 V33 L83 I84 D85 E86 L91 V131	L32-Y89 HydrophobicContact CB-CD2 4.48Å; L32-Y89 HydrophobicContact CB-CG 4.49Å; L32-Y89 HydrophobicContact CD2-CD1 3.97Å; L32-Y89 HydrophobicContact CD2-CD2 3.84Å; L32-Y89 HydrophobicContact CD2-CE1 4.25Å; L32-Y89 HydrophobicContact CD2-CE2 4.14Å; L32-Y89 HydrophobicContact CD2-CG 3.76Å; L32-Y89 HydrophobicContact CG-CD2 3.73Å; L32-Y89 HydrophobicContact CG-CE2 4.21Å; L32-Y89 HydrophobicContact CG-CG 4.02Å; V33-Y89 CarbonylContact O-C 3.56Å; V33-Y89 WeakPolarHBondContact O-CA 3.45Å; V33-Y89 WeakPolarHBondContact O-CB 3.37Å; L83-Y89 HydrophobicContact CB-CD1 3.84Å; L83-Y89 HydrophobicContact CB-CE1 3.69Å; I84-Y89 PolarHBondContact O-N 3.28Å; D85-Y89 HydrophobicContact CB-CE2 3.9Å; D85-Y89 WeakPolarHBondContact OD1-CE2 3.27Å; E86-Y89 WeakPolarHBondContact CA-O 3.16Å; E86-Y89 PolarHBondContact N-O 3.25Å; Y89-L91 HydrophobicContact CD2-CD2 4.1Å; Y89-L91 HydrophobicContact CD2-CG 4.11Å; Y89-L91 HydrophobicContact CE2-CD1 4.33Å; Y89-L91 HydrophobicContact CE2-CD2 3.91Å; Y89-L91 HydrophobicContact CE2-CG 3.86Å; Y89-V131 HydrophobicContact CE2-CG2 4.35Å
90	I	90.3	Very high	86.6	Confident	23 Å²	23	60.3 Å²	60.3	12%	0.118	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137.4	169.7	-61.1	-69.9	0	0	0	108.4	L20 V33 F38 E86 L92	L20-I90 HydrophobicContact CD2-CG2 4.45Å; V33-I90 PolarHBondContact N-O 3.4Å; V33-I90 PolarHBondContact O-N 3.27Å; F38-I90 HydrophobicContact CB-CB 4.46Å; F38-I90 HydrophobicContact CB-CG1 3.96Å; F38-I90 HydrophobicContact CD1-CB 4.31Å; F38-I90 HydrophobicContact CD1-CD1 4.4Å; F38-I90 HydrophobicContact CD1-CG1 3.78Å; F38-I90 HydrophobicContact CD1-CG2 4.1Å; F38-I90 HydrophobicContact CD2-CG2 4.39Å; F38-I90 HydrophobicContact CE1-CG2 4.11Å; F38-I90 HydrophobicContact CE2-CG2 4.4Å; F38-I90 HydrophobicContact CG-CB 4.19Å; F38-I90 HydrophobicContact CG-CG1 3.92Å; F38-I90 HydrophobicContact CG-CG2 4.24Å; F38-I90 HydrophobicContact CZ-CG2 4.27Å; E86-I90 HydrophobicContact CB-CD1 4.47Å; E86-I90 HydrophobicContact CG-CD1 4.46Å; I90-L92 HydrophobicContact CG2-CD2 4.44Å
91	L	92.2	Very high	87	Confident	26 Å²	26	59.5 Å²	59.5	14%	0.136	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	128	176.6	-68.2	173.9	0	0	0	111.7	W30 L32 D85 Y89 V129	W30-L91 HydrophobicContact CE3-CB 4.07Å; L32-L91 HydrophobicContact CD1-CD2 3.65Å; L32-L91 HydrophobicContact CG-CD2 3.9Å; D85-L91 WeakPolarHBondContact OD2-CD1 3.07Å; Y89-L91 HydrophobicContact CD2-CD2 4.1Å; Y89-L91 HydrophobicContact CD2-CG 4.11Å; Y89-L91 HydrophobicContact CE2-CD1 4.33Å; Y89-L91 HydrophobicContact CE2-CD2 3.91Å; Y89-L91 HydrophobicContact CE2-CG 3.86Å; L91-V129 HydrophobicContact CD1-CB 4.08Å; L91-V129 HydrophobicContact CD1-CG2 3.88Å; L91-V129 HydrophobicContact CD2-CB 4.28Å; L91-V129 HydrophobicContact CD2-CG1 4.06Å; L91-V129 HydrophobicContact CD2-CG2 4.22Å
92	L	91.6	Very high	87.6	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142.6	174.9	-64.3	179.2	0	0	0	112.4	L20 W30 Y31 V33 F38 I90 L100	L20-L92 HydrophobicContact CD2-CD2 3.69Å; L20-L92 HydrophobicContact CG-CD2 4.24Å; W30-L92 CarbonylContact C-O 3.5Å; W30-L92 VanDerWaalsContact CA-O 3.28Å; W30-L92 WeakPolarHBondContact CA-O 3.31Å; W30-L92 WeakPolarHBondContact CB-O 3.12Å; Y31-L92 PolarHBondContact N-O 3.24Å; Y31-L92 PolarHBondContact O-N 3.14Å; V33-L92 HydrophobicContact CG2-CD1 3.56Å; V33-L92 HydrophobicContact CG2-CG 4.08Å; F38-L92 HydrophobicContact CE2-CD1 4.32Å; F38-L92 HydrophobicContact CE2-CD2 4.17Å; F38-L92 HydrophobicContact CZ-CD2 4.48Å; I90-L92 HydrophobicContact CG2-CD2 4.44Å; L92-L100 HydrophobicContact CD1-CD1 3.36Å; L92-L100 HydrophobicContact CD1-CG 4.43Å
93	P	92.9	Very high	88.3	Confident	10 Å²	10	51.4 Å²	51.4	7%	0.065	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	157.6	168.1	31.7	-35.3	0	0	0	110.3	L19 W30 E95 G96 W97	L19-P93 HydrophobicContact CB-CG 4.07Å; W30-P93 HydrophobicContact CD2-CB 4.23Å; W30-P93 HydrophobicContact CE3-CB 4.44Å; W30-P93 HydrophobicContact CH2-CB 4.14Å; W30-P93 HydrophobicContact CH2-CG 4.32Å; W30-P93 HydrophobicContact CZ2-CB 3.89Å; W30-P93 HydrophobicContact CZ3-CB 4.4Å; W30-P93 HydrophobicContact CZ3-CG 4.48Å; P93-E95 PolarHBondContact O-N 3.3Å; P93-G96 PolarHBondContact O-N 2.93Å; P93-W97 PolarHBondContact O-N 3.07Å
94	T	92.4	Very high	88.7	Confident	52 Å²	52	50.9 Å²	50.9	32%	0.319	26%	0.263	S	S	.	.	H	α-helix	trans	-45.7	-41.8	179.2	-52.5	0	0	0	0	114.2	T29 Y31 N98	T29-T94 PolarHBondContact O-OG1 2.92Å; Y31-T94 HydrophobicContact CE2-CG2 4.09Å; T94-N98 WeakPolarHBondContact O-CB 3.47Å; T94-N98 PolarHBondContact O-N 2.85Å; T94-N98 PolarHBondContact O-ND2 3.44Å; T94-N98 PolarHBondContact O-OD1 2.99Å
95	E	90.5	Very high	89.4	Confident	134 Å²	134	50.3 Å²	50.3	63%	0.626	26%	0.264	S	S	*	.	H	α-helix	trans	-67.9	-35.1	179.6	-64.8	-177.5	-172.6	0	0	113.2	L19 P93 K99	L19-E95 HydrophobicContact CD1-CB 4.29Å; L19-E95 HydrophobicContact CD2-CB 3.97Å; P93-E95 PolarHBondContact O-N 3.3Å; E95-K99 WeakPolarHBondContact O-CG 3.25Å; E95-K99 PolarHBondContact O-N 3.42Å
96	G	91.8	Very high	89.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-72.6	-43.1	176.7	0	0	0	0	0	111.7	P93 K99 L100	P93-G96 PolarHBondContact O-N 2.93Å; G96-K99 PolarHBondContact O-N 3.11Å; G96-L100 PolarHBondContact O-N 3.38Å; G96-L100 VanDerWaalsContact O-N 3.07Å
97	W	93.6	Very high	90.3	Very high	7 Å²	7	45 Å²	45	3%	0.027	24%	0.239	C	C	.	.	H	α-helix	trans	-57.5	-51.8	172.6	174.8	-103.6	0	0	0	112	Y31 V33 I65 P93 K99 L100 V101 L106 P112	Y31-W97 HydrophobicContact CD1-CB 4.45Å; Y31-W97 AromaticContact CD1-CD1 3.61Å; Y31-W97 AromaticContact CD1-CD2 3.78Å; Y31-W97 HydrophobicContact CD1-CD2 3.78Å; Y31-W97 AromaticContact CD1-CE2 3.77Å; Y31-W97 AromaticContact CD1-CG 3.69Å; Y31-W97 HydrophobicContact CD1-CG 3.69Å; Y31-W97 AromaticContact CD1-NE1 3.63Å; Y31-W97 HydrophobicContact CD2-CB 3.63Å; Y31-W97 AromaticContact CD2-CD1 3.96Å; Y31-W97 AromaticContact CD2-CG 3.74Å; Y31-W97 HydrophobicContact CD2-CG 3.74Å; Y31-W97 AromaticContact CE1-CD1 3.64Å; Y31-W97 HydrophobicContact CE1-CG 4.18Å; Y31-W97 AromaticContact CE1-NE1 3.68Å; Y31-W97 HydrophobicContact CE2-CB 4.29Å; Y31-W97 HydrophobicContact CE2-CG 4.25Å; Y31-W97 HydrophobicContact CG-CB 3.74Å; Y31-W97 AromaticContact CG-CD1 3.76Å; Y31-W97 AromaticContact CG-CD2 3.77Å; Y31-W97 HydrophobicContact CG-CD2 3.77Å; Y31-W97 HydrophobicContact CG-CE3 4.36Å; Y31-W97 AromaticContact CG-CG 3.44Å; Y31-W97 HydrophobicContact CG-CG 3.44Å; Y31-W97 VanDerWaalsContact CG-CG 3.44Å; Y31-W97 AromaticContact CZ-CD1 3.86Å; V33-W97 HydrophobicContact CG2-CE3 3.91Å; V33-W97 HydrophobicContact CG2-CZ3 3.85Å; I65-W97 HydrophobicContact CD1-CH2 4.25Å; I65-W97 HydrophobicContact CD1-CZ3 4.01Å; I65-W97 HydrophobicContact CG2-CH2 4.18Å; I65-W97 HydrophobicContact CG2-CZ3 4.09Å; P93-W97 PolarHBondContact O-N 3.07Å; W97-K99 VanDerWaalsContact C-N 3.26Å; W97-K99 PolarHBondContact O-N 3.07Å; W97-L100 PolarHBondContact O-N 3.21Å; W97-V101 HydrophobicContact CD2-CG2 3.91Å; W97-V101 VanDerWaalsContact CE2-CG2 3.45Å; W97-V101 HydrophobicContact CE3-CG2 4.39Å; W97-V101 HydrophobicContact CG-CG2 4.41Å; W97-V101 HydrophobicContact CH2-CG2 4.13Å; W97-V101 HydrophobicContact CZ2-CG2 3.58Å; W97-V101 HydrophobicContact CZ3-CG2 4.49Å; W97-V101 WeakPolarHBondContact O-CG2 3.39Å; W97-V101 PolarHBondContact O-N 2.97Å; W97-L106 HydrophobicContact CH2-CD1 3.83Å; W97-L106 HydrophobicContact CZ2-CD1 4.24Å; W97-L106 HydrophobicContact CZ2-CD2 4.47Å; W97-P112 HydrophobicContact CZ2-CB 3.61Å; W97-P112 HydrophobicContact CZ2-CG 3.96Å
98	N	93	Very high	90.5	Very high	88 Å²	88	49.4 Å²	49.4	47%	0.471	26%	0.257	S	S	.	.	H	α-helix	trans	-59.7	-36.8	-179.8	-70.5	-11.6	0	0	0	112.3	T94 S102	T94-N98 WeakPolarHBondContact O-CB 3.47Å; T94-N98 PolarHBondContact O-N 2.85Å; T94-N98 PolarHBondContact O-ND2 3.44Å; T94-N98 PolarHBondContact O-OD1 2.99Å; N98-S102 WeakPolarHBondContact O-CB 3.25Å; N98-S102 PolarHBondContact O-N 2.9Å; N98-S102 PolarHBondContact O-OG 3.3Å
99	K	92.3	Very high	90.3	Very high	67 Å²	67	50.3 Å²	50.3	29%	0.291	28%	0.278	S	S	.	.	H	α-helix	trans	-63.8	-52.7	174.5	-81.7	173.1	-179.7	-73.7	0	111.7	D15 I16 L19 E95 G96 W97 V101 S102 W103	D15-K99 HydrophobicContact CB-CD 4.09Å; D15-K99 WeakPolarHBondContact OD2-CE 3.05Å; D15-K99 IonicContact OD2-NZ 2.8Å; D15-K99 PolarHBondContact OD2-NZ 3Å; I16-K99 HydrophobicContact CD1-CB 4.32Å; L19-K99 HydrophobicContact CD1-CD 3.79Å; E95-K99 WeakPolarHBondContact O-CG 3.25Å; E95-K99 PolarHBondContact O-N 3.42Å; G96-K99 PolarHBondContact O-N 3.11Å; W97-K99 VanDerWaalsContact C-N 3.26Å; W97-K99 PolarHBondContact O-N 3.07Å; K99-V101 PolarHBondContact O-N 2.78Å; K99-S102 PolarHBondContact O-N 3.31Å; K99-S102 VanDerWaalsContact O-N 3.1Å; K99-S102 PolarHBondContact O-OG 3.06Å; K99-W103 HydrophobicContact CB-CE3 4.48Å; K99-W103 HydrophobicContact CB-CH2 3.79Å; K99-W103 HydrophobicContact CB-CZ2 3.9Å; K99-W103 HydrophobicContact CB-CZ3 4.1Å; K99-W103 HydrophobicContact CD-CH2 4.1Å; K99-W103 HydrophobicContact CD-CZ2 4.25Å; K99-W103 HydrophobicContact CG-CH2 4.21Å; K99-W103 HydrophobicContact CG-CZ2 4.06Å; K99-W103 VanDerWaalsContact O-CD2 3.28Å; K99-W103 VanDerWaalsContact O-CG 3.29Å; K99-W103 PolarHBondContact O-N 2.99Å; K99-W103 VanDerWaalsContact O-N 3.14Å
100	L	90.9	Very high	89.9	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.9	-43.9	179.5	-66.3	-178.7	0	0	0	112.2	I16 W37 F38 W41 I65 L92 G96 W97 S102 W103 Y104	I16-L100 HydrophobicContact CD1-CD2 4.04Å; I16-L100 HydrophobicContact CD1-CG 3.97Å; I16-L100 HydrophobicContact CG1-CD2 4.07Å; W37-L100 HydrophobicContact CZ3-CD1 4.1Å; F38-L100 HydrophobicContact CD2-CD1 4.43Å; F38-L100 HydrophobicContact CE2-CD1 4.13Å; W41-L100 HydrophobicContact CD2-CD2 4.43Å; W41-L100 HydrophobicContact CZ2-CD2 4.2Å; I65-L100 HydrophobicContact CD1-CB 3.96Å; L92-L100 HydrophobicContact CD1-CD1 3.36Å; L92-L100 HydrophobicContact CD1-CG 4.43Å; G96-L100 PolarHBondContact O-N 3.38Å; G96-L100 VanDerWaalsContact O-N 3.07Å; W97-L100 PolarHBondContact O-N 3.21Å; L100-S102 VanDerWaalsContact C-N 3.27Å; L100-S102 PolarHBondContact O-N 2.82Å; L100-W103 HydrophobicContact CD2-CE3 3.91Å; L100-W103 HydrophobicContact CD2-CZ3 4.01Å; L100-W103 PolarHBondContact O-N 2.98Å; L100-W103 VanDerWaalsContact O-N 3.09Å; L100-Y104 HydrophobicContact CD2-CD2 4.5Å; L100-Y104 HydrophobicContact CD2-CE2 4.49Å; L100-Y104 PolarHBondContact O-N 3.16Å
101	V	91.6	Very high	89.7	Confident	45 Å²	45	55.2 Å²	55.2	27%	0.273	30%	0.301	S	S	.	.	H	α-helix	trans	-61.2	-36.4	175.6	174.1	0	0	0	0	111.4	I65 W97 K99 W103 T105	I65-V101 HydrophobicContact CD1-CG2 3.83Å; W97-V101 HydrophobicContact CD2-CG2 3.91Å; W97-V101 VanDerWaalsContact CE2-CG2 3.45Å; W97-V101 HydrophobicContact CE3-CG2 4.39Å; W97-V101 HydrophobicContact CG-CG2 4.41Å; W97-V101 HydrophobicContact CH2-CG2 4.13Å; W97-V101 HydrophobicContact CZ2-CG2 3.58Å; W97-V101 HydrophobicContact CZ3-CG2 4.49Å; W97-V101 WeakPolarHBondContact O-CG2 3.39Å; W97-V101 PolarHBondContact O-N 2.97Å; K99-V101 PolarHBondContact O-N 2.78Å; V101-W103 VanDerWaalsContact C-N 3.29Å; V101-W103 PolarHBondContact O-N 3.34Å; V101-T105 VanDerWaalsContact O-CA 3.23Å; V101-T105 WeakPolarHBondContact O-CA 3.42Å; V101-T105 PolarHBondContact O-N 3.4Å
102	S	91.3	Very high	89.5	Confident	79 Å²	79	57.1 Å²	57.1	55%	0.552	32%	0.315	S	S	*	.	H	α-helix	trans	-70.7	-20.4	176.4	76.9	0	0	0	0	114.5	N98 K99 L100	N98-S102 WeakPolarHBondContact O-CB 3.25Å; N98-S102 PolarHBondContact O-N 2.9Å; N98-S102 PolarHBondContact O-OG 3.3Å; K99-S102 PolarHBondContact O-N 3.31Å; K99-S102 VanDerWaalsContact O-N 3.1Å; K99-S102 PolarHBondContact O-OG 3.06Å; L100-S102 VanDerWaalsContact C-N 3.27Å; L100-S102 PolarHBondContact O-N 2.82Å
103	W	91.6	Very high	89.4	Confident	35 Å²	35	57.5 Å²	57.5	13%	0.133	32%	0.317	C	S	.	.	H	α-helix	trans	-99.3	-34.9	-178.4	-61.2	-25.3	0	0	0	113.3	A6 A7 Q12 D15 I16 K99 L100 V101	A6-W103 HydrophobicContact CB-CB 3.98Å; A6-W103 HydrophobicContact CB-CG 4.18Å; A7-W103 HydrophobicContact CB-CZ2 4.01Å; Q12-W103 HydrophobicContact CB-CE3 4.14Å; Q12-W103 HydrophobicContact CB-CH2 4.05Å; Q12-W103 HydrophobicContact CB-CZ3 3.71Å; Q12-W103 HydrophobicContact CG-CD2 3.91Å; Q12-W103 HydrophobicContact CG-CE3 3.61Å; Q12-W103 HydrophobicContact CG-CH2 3.9Å; Q12-W103 HydrophobicContact CG-CZ2 4.17Å; Q12-W103 HydrophobicContact CG-CZ3 3.62Å; D15-W103 HydrophobicContact CB-CH2 4.3Å; I16-W103 HydrophobicContact CD1-CZ3 4.22Å; I16-W103 HydrophobicContact CG1-CH2 4.36Å; I16-W103 HydrophobicContact CG1-CZ3 3.92Å; K99-W103 HydrophobicContact CB-CE3 4.48Å; K99-W103 HydrophobicContact CB-CH2 3.79Å; K99-W103 HydrophobicContact CB-CZ2 3.9Å; K99-W103 HydrophobicContact CB-CZ3 4.1Å; K99-W103 HydrophobicContact CD-CH2 4.1Å; K99-W103 HydrophobicContact CD-CZ2 4.25Å; K99-W103 HydrophobicContact CG-CH2 4.21Å; K99-W103 HydrophobicContact CG-CZ2 4.06Å; K99-W103 VanDerWaalsContact O-CD2 3.28Å; K99-W103 VanDerWaalsContact O-CG 3.29Å; K99-W103 PolarHBondContact O-N 2.99Å; K99-W103 VanDerWaalsContact O-N 3.14Å; L100-W103 HydrophobicContact CD2-CE3 3.91Å; L100-W103 HydrophobicContact CD2-CZ3 4.01Å; L100-W103 PolarHBondContact O-N 2.98Å; L100-W103 VanDerWaalsContact O-N 3.09Å; V101-W103 VanDerWaalsContact C-N 3.29Å; V101-W103 PolarHBondContact O-N 3.34Å
104	Y	90	Very high	89.2	Confident	9 Å²	9	59 Å²	59	4%	0.035	33%	0.33	C	S	.	.	H	α-helix	trans	-120	-15.9	-171.6	-64.9	-80.6	0	0	0	114.6	Q12 W37 W41 Y44 Y61 P62 P64 L100	Q12-Y104 PolarHBondContact NE2-OH 2.89Å; Q12-Y104 VanDerWaalsContact OE1-CE2 3.24Å; Q12-Y104 PolarHBondContact OE1-OH 2.76Å; W37-Y104 AromaticContact CH2-CD2 3.99Å; W37-Y104 HydrophobicContact CH2-CD2 3.99Å; W37-Y104 HydrophobicContact CH2-CG 4.14Å; W37-Y104 HydrophobicContact CZ2-CD1 4.28Å; W37-Y104 HydrophobicContact CZ2-CD2 4.16Å; W37-Y104 AromaticContact CZ2-CG 3.83Å; W37-Y104 HydrophobicContact CZ2-CG 3.83Å; W41-Y104 AromaticContact CD1-CE2 3.49Å; W41-Y104 VanDerWaalsContact CD1-CE2 3.49Å; W41-Y104 AromaticContact CD1-CZ 3.61Å; W41-Y104 AromaticContact NE1-CE2 3.53Å; W41-Y104 AromaticContact NE1-CZ 3.86Å; Y44-Y104 HydrophobicContact CD1-CE1 4.5Å; Y44-Y104 HydrophobicContact CE1-CE1 4.36Å; Y44-Y104 WeakPolarHBondContact CE1-OH 3.28Å; Y61-Y104 HydrophobicContact CD2-CE1 4.36Å; Y61-Y104 HydrophobicContact CE2-CD1 4.1Å; Y61-Y104 AromaticContact CE2-CE1 3.7Å; Y61-Y104 HydrophobicContact CE2-CE1 3.7Å; P62-Y104 HydrophobicContact CG-CD1 3.75Å; P62-Y104 HydrophobicContact CG-CE1 3.5Å; P62-Y104 VanDerWaalsContact CG-CE1 3.5Å; P64-Y104 VanDerWaalsContact CA-O 3.26Å; P64-Y104 WeakPolarHBondContact CA-O 3.37Å; L100-Y104 HydrophobicContact CD2-CD2 4.5Å; L100-Y104 HydrophobicContact CD2-CE2 4.49Å; L100-Y104 PolarHBondContact O-N 3.16Å
105	T	90.6	Very high	89.1	Confident	82 Å²	82	59.7 Å²	59.7	50%	0.503	33%	0.327	S	S	.	.			trans	61.4	167.9	-165.9	78.2	0	0	0	0	114.4	I65 V101	I65-T105 PolarHBondContact N-O 3.38Å; V101-T105 VanDerWaalsContact O-CA 3.23Å; V101-T105 WeakPolarHBondContact O-CA 3.42Å; V101-T105 PolarHBondContact O-N 3.4Å
106	L	90.1	Very high	89.1	Confident	35 Å²	35	58.2 Å²	58.2	18%	0.183	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-90.9	151.1	170	-171.2	59.6	0	0	0	108.9	I65 W97 Q110 P112	I65-L106 HydrophobicContact CB-CD1 4.02Å; I65-L106 HydrophobicContact CG2-CD1 4.06Å; W97-L106 HydrophobicContact CH2-CD1 3.83Å; W97-L106 HydrophobicContact CZ2-CD1 4.24Å; W97-L106 HydrophobicContact CZ2-CD2 4.47Å; L106-Q110 HydrophobicContact CD1-CB 4.48Å; L106-Q110 HydrophobicContact CD2-CB 4.42Å; L106-Q110 WeakPolarHBondContact CD2-O 3.39Å; L106-Q110 HydrophobicContact CG-CB 4.21Å; L106-P112 HydrophobicContact CD2-CG 4.17Å
107	M	87.9	Confident	88.9	Confident	77 Å²	77	58.4 Å²	58.4	38%	0.379	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-61	139.6	173.1	179.2	175.4	-85.2	0	0	110.8	I65 D66 G109 Q110	I65-M107 WeakPolarHBondContact O-CB 3.36Å; I65-M107 PolarHBondContact O-N 3.34Å; D66-M107 HydrophobicContact CB-CE 3.82Å; D66-M107 HydrophobicContact CB-SD 4.24Å; M107-G109 PolarHBondContact O-N 2.83Å; M107-Q110 HydrophobicContact CB-CG 4.32Å; M107-Q110 PolarHBondContact O-N 2.94Å; M107-Q110 VanDerWaalsContact O-N 3.16Å; M107-Q110 PolarHBondContact SD-NE2 3.45Å; M107-Q110 VanDerWaalsContact SD-NE2 3.36Å
108	E	80.9	Confident	88.6	Confident	197 Å²	197	58.7 Å²	58.7	92%	0.921	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	132.3	-178.1	-170.1	164.6	-157.9	0	0	111.3
109	G	78.3	Confident	87.9	Confident	71 Å²	71	57.4 Å²	57.4	73%	0.732	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-5.6	-175.5	0	0	0	0	0	116.2	M107	M107-G109 PolarHBondContact O-N 2.83Å
110	Q	83.8	Confident	86.8	Confident	32 Å²	32	57.3 Å²	57.3	15%	0.15	31%	0.314	C	S	.	.			trans	-96.9	152.7	176	-61.5	-173.7	11.9	0	0	112.8	D66 L106 M107	D66-Q110 PolarHBondContact OD1-NE2 3.36Å; L106-Q110 HydrophobicContact CD1-CB 4.48Å; L106-Q110 HydrophobicContact CD2-CB 4.42Å; L106-Q110 WeakPolarHBondContact CD2-O 3.39Å; L106-Q110 HydrophobicContact CG-CB 4.21Å; M107-Q110 HydrophobicContact CB-CG 4.32Å; M107-Q110 PolarHBondContact O-N 2.94Å; M107-Q110 VanDerWaalsContact O-N 3.16Å; M107-Q110 PolarHBondContact SD-NE2 3.45Å; M107-Q110 VanDerWaalsContact SD-NE2 3.36Å
111	E	86.3	Confident	84.8	Confident	113 Å²	113	58.2 Å²	58.2	53%	0.528	32%	0.323	S	S	.	.			trans	-111.3	153.4	173.6	-68.9	-168	129.8	0	0	112.4	Q77 I113	Q77-E111 PolarHBondContact NE2-OE2 2.77Å; E111-I113 PolarHBondContact O-N 3.03Å
112	P	88.1	Confident	82.6	Confident	65 Å²	65	60.1 Å²	60.1	42%	0.422	33%	0.33	S	S	.	.			trans	-61.5	121.1	176.6	-24.8	35.2	0	0	0	113.4	Y31 W97 L106 A114	Y31-P112 HydrophobicContact CD1-CB 3.89Å; Y31-P112 HydrophobicContact CE1-CB 3.69Å; W97-P112 HydrophobicContact CZ2-CB 3.61Å; W97-P112 HydrophobicContact CZ2-CG 3.96Å; L106-P112 HydrophobicContact CD2-CG 4.17Å; P112-A114 PolarHBondContact O-N 2.92Å
113	I	89.5	Confident	80	Confident	10 Å²	10	61.6 Å²	61.6	5%	0.051	33%	0.327	C	S	.	.			trans	-77.7	73	179.9	-51.3	-178.6	0	0	0	110.5	Y31 L32 N67 L70 L71 L79 E111	Y31-I113 WeakPolarHBondContact CA-O 3.37Å; L32-I113 HydrophobicContact CB-CB 4.17Å; L32-I113 HydrophobicContact CB-CG2 3.97Å; L32-I113 HydrophobicContact CD1-CG2 4.42Å; L32-I113 HydrophobicContact CD2-CG2 4.39Å; L32-I113 HydrophobicContact CG-CG2 4.49Å; L32-I113 PolarHBondContact N-O 3.29Å; N67-I113 HydrophobicContact CB-CD1 3.71Å; L70-I113 HydrophobicContact CB-CD1 4.27Å; L70-I113 HydrophobicContact CD1-CD1 4.17Å; L71-I113 HydrophobicContact CD2-CD1 3.99Å; L71-I113 HydrophobicContact CG-CD1 4.33Å; L79-I113 HydrophobicContact CD1-CG2 4.45Å; L79-I113 HydrophobicContact CD2-CD1 4.02Å; L79-I113 HydrophobicContact CD2-CG2 4.01Å; L79-I113 HydrophobicContact CG-CG2 4.46Å; E111-I113 PolarHBondContact O-N 3.03Å
114	A	89.7	Confident	77.8	Confident	40 Å²	40	65.7 Å²	65.7	33%	0.331	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	137	178.4	0	0	0	0	0	111.8	T29 Y31 P112	T29-A114 HydrophobicContact CG2-CB 3.82Å; Y31-A114 HydrophobicContact CD1-CB 4.08Å; Y31-A114 HydrophobicContact CE1-CB 3.7Å; P112-A114 PolarHBondContact O-N 2.92Å
115	R	89.7	Confident	76.5	Confident	67 Å²	67	71 Å²	71	25%	0.253	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	157.3	175.6	-67.2	-62.4	-177.5	-92.5	4.9	110.9	T29 W30 L32 L79 V129 E130 V131	T29-R115 WeakPolarHBondContact CA-O 3.23Å; W30-R115 PolarHBondContact N-O 3.38Å; W30-R115 PolarHBondContact O-N 3.21Å; L32-R115 HydrophobicContact CD1-CB 4.09Å; L32-R115 HydrophobicContact CD1-CG 3.6Å; L79-R115 VanDerWaalsContact CD1-NH2 3.26Å; R115-V129 HydrophobicContact CB-CG1 3.49Å; R115-V129 VanDerWaalsContact CB-CG1 3.49Å; R115-E130 WeakPolarHBondContact CD-O 3.23Å; R115-V131 PolarHBondContact NE-O 3.47Å
116	K	89.9	Confident	75.6	Confident	104 Å²	104	71.7 Å²	71.7	45%	0.452	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	144.3	-174.8	-78.8	-56.8	-163.5	-178.5	0	112.5	G27 D28 T29 E130	G27-K116 PolarHBondContact O-NZ 3.18Å; D28-K116 VanDerWaalsContact O-CD 3.28Å; D28-K116 WeakPolarHBondContact O-CD 2.77Å; T29-K116 PolarHBondContact OG1-NZ 3.05Å; K116-E130 PolarHBondContact O-N 3.25Å
117	V	88.2	Confident	75.3	Confident	3 Å²	3	71.9 Å²	71.9	2%	0.018	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	117.7	171.7	179.6	0	0	0	0	110	L24 R25 G27 D28 W30 C127 K128 V129	L24-V117 HydrophobicContact CB-CG1 4.09Å; L24-V117 HydrophobicContact CD2-CG2 3.75Å; R25-V117 VanDerWaalsContact O-CB 3.22Å; R25-V117 WeakPolarHBondContact O-CB 3.38Å; R25-V117 WeakPolarHBondContact O-CG1 3.33Å; G27-V117 PolarHBondContact N-O 2.91Å; D28-V117 HydrophobicContact CB-CB 4.22Å; D28-V117 HydrophobicContact CB-CG2 3.87Å; D28-V117 PolarHBondContact O-N 2.79Å; W30-V117 VanDerWaalsContact CD1-CG2 3.45Å; W30-V117 HydrophobicContact CG-CG2 4.19Å; V117-C127 HydrophobicContact CG1-CB 3.59Å; V117-K128 CarbonylContact C-O 3.58Å; V117-K128 WeakPolarHBondContact CA-O 3.48Å; V117-V129 HydrophobicContact CG2-CG2 4.01Å
118	V	86	Confident	75.2	Confident	14 Å²	14	73.2 Å²	73.2	9%	0.085	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	160	175.8	-59.7	0	0	0	0	110.7	C127 K128 E130 A155	V118-C127 WeakPolarHBondContact O-CA 3.48Å; V118-K128 PolarHBondContact N-O 3.1Å; V118-K128 PolarHBondContact O-N 3.27Å; V118-E130 HydrophobicContact CG1-CB 3.92Å; V118-E130 HydrophobicContact CG2-CB 3.98Å; V118-A155 HydrophobicContact CG1-CB 4.36Å
119	E	80.3	Confident	75.5	Confident	60 Å²	60	64.3 Å²	64.3	28%	0.28	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	119	166.3	-71.8	170.9	161	0	0	108.7	K26 K125	K26-E119 HydrophobicContact CB-CG 4.21Å; K26-E119 HydrophobicContact CD-CG 3.77Å; K26-E119 WeakPolarHBondContact CE-OE2 3.24Å; K26-E119 HydrophobicContact CG-CG 4.01Å; K26-E119 VanDerWaalsContact NZ-CD 3.25Å; K26-E119 IonicContact NZ-OE1 2.71Å; K26-E119 IonicContact NZ-OE2 3.77Å; K26-E119 PolarHBondContact NZ-OE2 2.93Å; E119-K125 HydrophobicContact CB-CB 4.34Å; E119-K125 HydrophobicContact CB-CD 4.13Å; E119-K125 HydrophobicContact CB-CG 4.31Å; E119-K125 HydrophobicContact CG-CB 4.49Å; E119-K125 HydrophobicContact CG-CD 4.3Å; E119-K125 IonicContact OE2-NZ 2.79Å; E119-K125 PolarHBondContact OE2-NZ 2.81Å
120	Q	67.3	Low	75.9	Confident	66 Å²	66	61.7 Å²	61.7	31%	0.308	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.6	173.1	-168.9	175.1	-9.7	0	0	109.9	H126	Q120-H126 PolarHBondContact N-O 3.48Å; Q120-H126 PolarHBondContact O-CE1 3.46Å; Q120-H126 PolarHBondContact O-N 3.17Å; Q120-H126 PolarHBondContact O-ND1 3.02Å
121	G	50.6	Low	76	Confident	19 Å²	19	60.9 Å²	60.9	20%	0.196	31%	0.308	C	S	.	.			trans	113.9	136.3	174.8	0	0	0	0	0	113.8	K125 Q199	G121-K125 VanDerWaalsContact O-CG 3.24Å; G121-K125 WeakPolarHBondContact O-CG 3.38Å; G121-Q199 VanDerWaalsContact N-NE2 3.1Å
122	M	43.6	Very low	75.9	Confident	85 Å²	85	59 Å²	59	42%	0.419	30%	0.297	S	S	.	.	S	Bend	trans	-84.3	-18.8	-170.9	-58.1	-180	87.6	0	0	114.6	R368	M122-R368 HydrophobicContact SD-CG 4.49Å
123	F	37.5	Very low	75.6	Confident	109 Å²	109	60 Å²	60	48%	0.478	30%	0.298	S	S	.	.	S	Bend	trans	-128.9	-46.9	-177.9	-60.2	-58.7	0	0	0	112.6	R368 F369	F123-R368 HydrophobicContact CE2-CG 3.91Å; F123-R368 WeakPolarHBondContact CE2-O 3.46Å; F123-R368 HydrophobicContact CZ-CG 4.04Å; F123-F369 HydrophobicContact CE2-CD1 4.02Å; F123-F369 HydrophobicContact CE2-CE1 4.05Å; F123-F369 HydrophobicContact CZ-CE1 4.2Å
124	V	45.4	Very low	75.2	Confident	122 Å²	122	59.7 Å²	59.7	74%	0.739	30%	0.297	S	S	*	.	S	Bend	trans	-105.3	102.8	165.3	-177.6	0	0	0	0	107.9	H126	V124-H126 PolarHBondContact O-N 3.33Å
125	K	63.3	Low	75	Confident	119 Å²	119	59.7 Å²	59.7	52%	0.517	29%	0.29	S	S	.	.			trans	-76.9	114.8	175.4	-77	-179.1	160.5	-159.1	0	109.7	E119 G121	E119-K125 HydrophobicContact CB-CB 4.34Å; E119-K125 HydrophobicContact CB-CD 4.13Å; E119-K125 HydrophobicContact CB-CG 4.31Å; E119-K125 HydrophobicContact CG-CB 4.49Å; E119-K125 HydrophobicContact CG-CD 4.3Å; E119-K125 IonicContact OE2-NZ 2.79Å; E119-K125 PolarHBondContact OE2-NZ 2.81Å; G121-K125 VanDerWaalsContact O-CG 3.24Å; G121-K125 WeakPolarHBondContact O-CG 3.38Å
126	H	71.9	Confident	74.9	Confident	98 Å²	98	56.5 Å²	56.5	45%	0.454	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	146.6	168.2	60.4	-81.8	0	0	0	109.6	Q120 V124	Q120-H126 PolarHBondContact N-O 3.48Å; Q120-H126 PolarHBondContact O-CE1 3.46Å; Q120-H126 PolarHBondContact O-N 3.17Å; Q120-H126 PolarHBondContact O-ND1 3.02Å; V124-H126 PolarHBondContact O-N 3.33Å
127	C	83.4	Confident	74.9	Confident	38 Å²	38	55.6 Å²	55.6	26%	0.257	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	130.2	176.1	-69.3	0	0	0	0	109.9	L24 V117 V118	L24-C127 HydrophobicContact CB-CB 3.61Å; L24-C127 WeakPolarHBondContact CD1-O 3.35Å; L24-C127 WeakPolarHBondContact O-CB 3.4Å; L24-C127 PolarHBondContact O-SG 2.69Å; L24-C127 VanDerWaalsContact O-SG 3.38Å; V117-C127 HydrophobicContact CG1-CB 3.59Å; V118-C127 WeakPolarHBondContact O-CA 3.48Å
128	K	85.7	Confident	75	Confident	106 Å²	106	55.4 Å²	55.4	46%	0.461	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	146.7	173.2	-166.7	175.7	-175.8	174.2	0	110.9	V117 V118 E130	V117-K128 CarbonylContact C-O 3.58Å; V117-K128 WeakPolarHBondContact CA-O 3.48Å; V118-K128 PolarHBondContact N-O 3.1Å; V118-K128 PolarHBondContact O-N 3.27Å; K128-E130 PolarHBondContact O-N 3.06Å
129	V	86.4	Confident	75.1	Confident	9 Å²	9	54.9 Å²	54.9	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	123.2	170.2	-176.7	0	0	0	0	109.8	L24 W30 L91 R115 V117 V131	L24-V129 HydrophobicContact CD2-CG2 3.85Å; W30-V129 HydrophobicContact CB-CG2 3.8Å; W30-V129 HydrophobicContact CD2-CG2 4.5Å; W30-V129 HydrophobicContact CG-CG2 4.05Å; L91-V129 HydrophobicContact CD1-CB 4.08Å; L91-V129 HydrophobicContact CD1-CG2 3.88Å; L91-V129 HydrophobicContact CD2-CB 4.28Å; L91-V129 HydrophobicContact CD2-CG1 4.06Å; L91-V129 HydrophobicContact CD2-CG2 4.22Å; R115-V129 HydrophobicContact CB-CG1 3.49Å; R115-V129 VanDerWaalsContact CB-CG1 3.49Å; V117-V129 HydrophobicContact CG2-CG2 4.01Å; V129-V131 HydrophobicContact CG1-CG2 4.17Å; V129-V131 PolarHBondContact O-N 3.18Å
130	E	87.8	Confident	75.5	Confident	17 Å²	17	54.2 Å²	54.2	8%	0.079	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	95.9	171.1	-176.7	167.3	-121	0	0	109.7	R115 K116 V118 K128 Y132 S153 K154	R115-E130 WeakPolarHBondContact CD-O 3.23Å; K116-E130 PolarHBondContact O-N 3.25Å; V118-E130 HydrophobicContact CG1-CB 3.92Å; V118-E130 HydrophobicContact CG2-CB 3.98Å; K128-E130 PolarHBondContact O-N 3.06Å; E130-Y132 WeakPolarHBondContact CG-O 3.39Å; E130-S153 WeakPolarHBondContact OE2-CA 3.31Å; E130-S153 VanDerWaalsContact OE2-CB 3.26Å; E130-S153 WeakPolarHBondContact OE2-CB 3.5Å; E130-S153 PolarHBondContact OE2-OG 2.91Å; E130-K154 VanDerWaalsContact OE1-CB 3.28Å; E130-K154 WeakPolarHBondContact OE1-CB 3.32Å; E130-K154 WeakPolarHBondContact OE1-CD 3.41Å; E130-K154 VanDerWaalsContact OE1-CG 3.23Å; E130-K154 WeakPolarHBondContact OE1-CG 3.42Å; E130-K154 PolarHBondContact OE1-N 2.87Å
131	V	85.6	Confident	76.1	Confident	14 Å²	14	52.8 Å²	52.8	9%	0.085	26%	0.261	C	S	.	.			trans	-75.7	-34.6	180	177.6	0	0	0	0	112.4	L32 L79 Y89 R115 V129	L32-V131 HydrophobicContact CD1-CG2 4.39Å; L32-V131 HydrophobicContact CD2-CG1 3.75Å; L32-V131 HydrophobicContact CD2-CG2 4.34Å; L79-V131 HydrophobicContact CD1-CG1 3.74Å; Y89-V131 HydrophobicContact CE2-CG2 4.35Å; R115-V131 PolarHBondContact NE-O 3.47Å; V129-V131 HydrophobicContact CG1-CG2 4.17Å; V129-V131 PolarHBondContact O-N 3.18Å
132	Y	83.3	Confident	77.2	Confident	73 Å²	73	55.3 Å²	55.3	29%	0.286	29%	0.287	S	S	.	.	S	Bend	trans	-124.4	128	-179.6	-60.7	-76.9	0	0	0	110.7	L79 K80 H82 L83 E130	L79-Y132 HydrophobicContact CB-CE1 4.13Å; L79-Y132 HydrophobicContact CD1-CE1 4.37Å; K80-Y132 WeakPolarHBondContact O-CE1 3.49Å; K80-Y132 PolarHBondContact O-OH 3.09Å; H82-Y132 PolarHBondContact N-OH 2.93Å; L83-Y132 VanDerWaalsContact CB-OH 3.27Å; L83-Y132 WeakPolarHBondContact CB-OH 3.21Å; L83-Y132 VanDerWaalsContact CG-OH 3.32Å; L83-Y132 WeakPolarHBondContact CG-OH 3.28Å; L83-Y132 PolarHBondContact N-OH 3.36Å; E130-Y132 WeakPolarHBondContact CG-O 3.39Å
133	L	83.4	Confident	78.6	Confident	86 Å²	86	55 Å²	55	45%	0.45	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-71.1	148.8	168.4	-62	178.2	0	0	0	110.2	E135 R151 F152	L133-E135 PolarHBondContact O-N 3.14Å; L133-R151 HydrophobicContact CB-CB 4Å; L133-R151 HydrophobicContact CD1-CB 4.15Å; L133-F152 CarbonylContact C-O 3.53Å; L133-F152 WeakPolarHBondContact CB-O 3.45Å
134	T	80.4	Confident	80.4	Confident	4 Å²	4	52.6 Å²	52.6	3%	0.025	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	121.5	176.5	-50.8	0	0	0	0	109.4	L136 R151 F152 K154 I198	T134-L136 HydrophobicContact CG2-CD2 4.21Å; T134-L136 HydrophobicContact CG2-CG 4.41Å; T134-R151 WeakPolarHBondContact O-CA 3.37Å; T134-F152 PolarHBondContact N-O 2.88Å; T134-F152 PolarHBondContact O-N 2.8Å; T134-K154 WeakPolarHBondContact OG1-CE 3.33Å; T134-K154 VanDerWaalsContact OG1-CG 3.26Å; T134-K154 WeakPolarHBondContact OG1-CG 3.35Å; T134-I198 HydrophobicContact CG2-CG2 4.26Å
135	E	85.1	Confident	81.7	Confident	41 Å²	41	54.1 Å²	54.1	19%	0.192	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127.9	177.1	-164.8	168.7	96.6	0	0	110.4	L133 T149 R150 R151 G206	L133-E135 PolarHBondContact O-N 3.14Å; E135-T149 HydrophobicContact CG-CG2 3.27Å; E135-T149 WeakPolarHBondContact OE1-CG2 3.46Å; E135-R150 CarbonylContact C-O 3.59Å; E135-R150 WeakPolarHBondContact CA-O 3.48Å; E135-R151 HydrophobicContact CB-CG 4.2Å; E135-R151 HydrophobicContact CG-CG 4.03Å; E135-R151 IonicContact OE2-CZ 3.45Å; E135-R151 IonicContact OE2-NE 2.78Å; E135-R151 PolarHBondContact OE2-NE 3.38Å; E135-R151 IonicContact OE2-NH2 3.5Å; E135-R151 PolarHBondContact OE2-NH2 3.42Å; E135-G206 PolarHBondContact O-N 3.47Å
136	L	87.6	Confident	82.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.3	-178.1	-63.2	176.2	0	0	0	110	T134 L138 R150 F152 I161 I198 L203 Y204 Q207 L209	T134-L136 HydrophobicContact CG2-CD2 4.21Å; T134-L136 HydrophobicContact CG2-CG 4.41Å; L136-L138 HydrophobicContact CB-CD2 4.18Å; L136-R150 PolarHBondContact N-O 3.21Å; L136-R150 PolarHBondContact O-N 2.77Å; L136-F152 HydrophobicContact CB-CD2 4.17Å; L136-F152 HydrophobicContact CB-CE2 4.2Å; L136-F152 HydrophobicContact CD1-CD2 3.8Å; L136-F152 HydrophobicContact CD1-CE2 4.23Å; L136-F152 HydrophobicContact CG-CD2 4.21Å; L136-I161 HydrophobicContact CD1-CD1 4.08Å; L136-I198 HydrophobicContact CD1-CD1 3.79Å; L136-I198 HydrophobicContact CD1-CG1 4.42Å; L136-L203 HydrophobicContact CD1-CD1 4.44Å; L136-Y204 WeakPolarHBondContact CD2-O 3.42Å; L136-Q207 HydrophobicContact CD2-CB 4.08Å; L136-L209 HydrophobicContact CD1-CD1 3.94Å
137	K	89.2	Confident	83.3	Confident	84 Å²	84	50.5 Å²	50.5	37%	0.365	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	112.4	-176.8	-74.6	-177.1	-175	175.3	0	109.5	V147 G206 Q207 V208 L209	K137-V147 HydrophobicContact CB-CG1 3.64Å; K137-V147 HydrophobicContact CD-CG1 4.29Å; K137-V147 HydrophobicContact CG-CG1 4.08Å; K137-G206 WeakPolarHBondContact CD-O 3.37Å; K137-Q207 PolarHBondContact N-O 3.17Å; K137-V208 HydrophobicContact CB-CG2 3.98Å; K137-V208 HydrophobicContact CD-CG2 4.4Å; K137-V208 CarbonylContact O-C 3.59Å; K137-V208 VanDerWaalsContact O-CA 3.28Å; K137-V208 WeakPolarHBondContact O-CA 3.29Å; K137-L209 PolarHBondContact O-N 2.9Å
138	L	91.5	Very high	83.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.7	-169.3	-47.4	177.7	0	0	0	110.1	L136 V147 V148 R150 F152 I161 I165 I168 F169 L209	L136-L138 HydrophobicContact CB-CD2 4.18Å; L138-V147 WeakPolarHBondContact O-CA 3.45Å; L138-V148 WeakPolarHBondContact CB-O 3.21Å; L138-V148 WeakPolarHBondContact CG-O 3.07Å; L138-V148 PolarHBondContact N-O 3.38Å; L138-V148 PolarHBondContact O-N 2.89Å; L138-R150 HydrophobicContact CD1-CB 3.78Å; L138-R150 HydrophobicContact CD1-CG 3.57Å; L138-R150 HydrophobicContact CG-CB 4.49Å; L138-F152 HydrophobicContact CD1-CE2 4.23Å; L138-F152 HydrophobicContact CD1-CZ 4.16Å; L138-F152 HydrophobicContact CD2-CE2 4.36Å; L138-I161 HydrophobicContact CD2-CG2 4.36Å; L138-I165 HydrophobicContact CB-CG1 4.19Å; L138-I165 HydrophobicContact CD1-CG1 3.8Å; L138-I165 HydrophobicContact CD2-CD1 4.02Å; L138-I165 HydrophobicContact CD2-CG1 3.95Å; L138-I165 HydrophobicContact CG-CG1 4.18Å; L138-I168 HydrophobicContact CD1-CD1 3.78Å; L138-F169 HydrophobicContact CB-CE2 4.32Å; L138-L209 WeakPolarHBondContact CA-O 3.38Å; L138-L209 HydrophobicContact CD2-CB 4.11Å; L138-L209 HydrophobicContact CD2-CD1 4.35Å
139	C	88.2	Confident	83.6	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.014	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	160.9	172.7	69.7	0	0	0	0	113.1	N146 V147 L209 V210 I211	C139-N146 VanDerWaalsContact CB-O 3.22Å; C139-N146 WeakPolarHBondContact CB-O 3.26Å; C139-V147 HydrophobicContact CB-CG2 4.18Å; C139-L209 PolarHBondContact N-O 3.23Å; C139-V210 VanDerWaalsContact O-CA 3.31Å; C139-V210 WeakPolarHBondContact O-CA 3.47Å; C139-I211 PolarHBondContact O-N 3.23Å
140	E	87.8	Confident	83.6	Confident	47 Å²	47	53.3 Å²	53.3	22%	0.22	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	144	171.7	-170.3	-177.8	-143.5	0	0	111.1	G142 N143 M144 F169 I211 Q213	E140-G142 VanDerWaalsContact C-N 3.25Å; E140-G142 PolarHBondContact O-N 2.94Å; E140-N143 CarbonylContact O-C 3.57Å; E140-N143 PolarHBondContact O-N 2.8Å; E140-N143 VanDerWaalsContact O-N 3.11Å; E140-M144 PolarHBondContact O-N 3.41Å; E140-F169 HydrophobicContact CB-CD1 4.22Å; E140-F169 HydrophobicContact CB-CG 4.4Å; E140-I211 HydrophobicContact CB-CG2 4.42Å; E140-I211 HydrophobicContact CG-CG2 4.37Å; E140-Q213 PolarHBondContact OE1-NE2 2.82Å
141	N	81.1	Confident	83.6	Confident	35 Å²	35	60 Å²	60	19%	0.187	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-35.2	174	-175.2	53.2	0	0	0	113.9	N143 V210 I211 E212 P221 R222	N141-N143 VanDerWaalsContact C-N 3.26Å; N141-N143 PolarHBondContact O-N 3.49Å; N141-V210 HydrophobicContact CB-CG1 4.14Å; N141-I211 WeakPolarHBondContact CB-O 3.11Å; N141-I211 PolarHBondContact N-O 2.82Å; N141-E212 HydrophobicContact CB-CB 4.4Å; N141-P221 WeakPolarHBondContact ND2-CB 3.11Å; N141-R222 PolarHBondContact OD1-NH1 3.5Å; N141-R222 PolarHBondContact OD1-NH2 2.99Å
142	G	72.6	Confident	83.6	Confident	72 Å²	72	59.9 Å²	59.9	74%	0.742	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-20.3	177.9	0	0	0	0	0	114	E140	E140-G142 VanDerWaalsContact C-N 3.25Å; E140-G142 PolarHBondContact O-N 2.94Å
143	N	74.3	Confident	83.8	Confident	78 Å²	78	57.4 Å²	57.4	42%	0.417	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	73.6	178.4	-171.6	-5.9	0	0	0	110.7	E140 N141 N145 N146	E140-N143 CarbonylContact O-C 3.57Å; E140-N143 PolarHBondContact O-N 2.8Å; E140-N143 VanDerWaalsContact O-N 3.11Å; N141-N143 VanDerWaalsContact C-N 3.26Å; N141-N143 PolarHBondContact O-N 3.49Å; N143-N145 PolarHBondContact O-N 2.96Å; N143-N145 PolarHBondContact OD1-N 2.9Å; N143-N146 HydrophobicContact CB-CB 4.37Å; N143-N146 PolarHBondContact O-N 3.04Å; N143-N146 PolarHBondContact OD1-N 2.96Å
144	M	75.1	Confident	83.8	Confident	60 Å²	60	57.2 Å²	57.2	30%	0.296	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	-5.8	-178.7	-68.7	171.7	53.8	0	0	114.4	E140 K182 F188 V210	E140-M144 PolarHBondContact O-N 3.41Å; M144-K182 HydrophobicContact CE-CD 4.35Å; M144-F188 HydrophobicContact CE-CE1 4.43Å; M144-F188 HydrophobicContact CE-CZ 3.87Å; M144-F188 HydrophobicContact SD-CZ 4.45Å; M144-V210 HydrophobicContact CG-CG1 4.5Å
145	N	72.6	Confident	83.9	Confident	154 Å²	154	59.2 Å²	59.2	82%	0.824	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	-21.4	173.5	-64.2	-6.1	0	0	0	112	N143 V147	N143-N145 PolarHBondContact O-N 2.96Å; N143-N145 PolarHBondContact OD1-N 2.9Å; N145-V147 PolarHBondContact O-N 3.46Å; N145-V147 VanDerWaalsContact O-N 3.15Å
146	N	83.3	Confident	84.1	Confident	77 Å²	77	59.7 Å²	59.7	41%	0.412	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	85.4	175.6	-174.4	15.6	0	0	0	110.2	C139 N143	C139-N146 VanDerWaalsContact CB-O 3.22Å; C139-N146 WeakPolarHBondContact CB-O 3.26Å; N143-N146 HydrophobicContact CB-CB 4.37Å; N143-N146 PolarHBondContact O-N 3.04Å; N143-N146 PolarHBondContact OD1-N 2.96Å
147	V	85.3	Confident	84.2	Confident	64 Å²	64	61.3 Å²	61.3	39%	0.388	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.7	-177.9	-177.8	0	0	0	0	110.4	K137 L138 C139 N145	K137-V147 HydrophobicContact CB-CG1 3.64Å; K137-V147 HydrophobicContact CD-CG1 4.29Å; K137-V147 HydrophobicContact CG-CG1 4.08Å; L138-V147 WeakPolarHBondContact O-CA 3.45Å; C139-V147 HydrophobicContact CB-CG2 4.18Å; N145-V147 PolarHBondContact O-N 3.46Å; N145-V147 VanDerWaalsContact O-N 3.15Å
148	V	87.7	Confident	84.3	Confident	37 Å²	37	57.5 Å²	57.5	22%	0.224	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	116.9	178.2	-178.7	0	0	0	0	109.7	L138 I168 F169	L138-V148 WeakPolarHBondContact CB-O 3.21Å; L138-V148 WeakPolarHBondContact CG-O 3.07Å; L138-V148 PolarHBondContact N-O 3.38Å; L138-V148 PolarHBondContact O-N 2.89Å; V148-I168 HydrophobicContact CB-CG2 4.1Å; V148-I168 HydrophobicContact CG1-CD1 4.29Å; V148-I168 HydrophobicContact CG1-CG2 4Å; V148-I168 HydrophobicContact CG2-CG2 3.95Å; V148-F169 HydrophobicContact CB-CZ 4.38Å; V148-F169 HydrophobicContact CG2-CE1 4.29Å; V148-F169 HydrophobicContact CG2-CZ 3.96Å
149	T	87.4	Confident	84.2	Confident	65 Å²	65	60.2 Å²	60.2	40%	0.399	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	134.6	178.1	-56.7	0	0	0	0	111.5	E135	E135-T149 HydrophobicContact CG-CG2 3.27Å; E135-T149 WeakPolarHBondContact OE1-CG2 3.46Å
150	R	86.9	Confident	84.3	Confident	110 Å²	110	62.9 Å²	62.9	42%	0.415	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	157.6	173.8	-71.4	-64.8	178.9	166.4	-3	111.6	E135 L136 L138 F152 I168	E135-R150 CarbonylContact C-O 3.59Å; E135-R150 WeakPolarHBondContact CA-O 3.48Å; L136-R150 PolarHBondContact N-O 3.21Å; L136-R150 PolarHBondContact O-N 2.77Å; L138-R150 HydrophobicContact CD1-CB 3.78Å; L138-R150 HydrophobicContact CD1-CG 3.57Å; L138-R150 HydrophobicContact CG-CB 4.49Å; R150-F152 HydrophobicContact CB-CD2 4.35Å; R150-F152 HydrophobicContact CB-CE2 3.59Å; R150-F152 HydrophobicContact CB-CZ 3.99Å; R150-I168 HydrophobicContact CG-CD1 3.65Å
151	R	86.3	Confident	84.4	Confident	157 Å²	157	60.6 Å²	60.6	59%	0.592	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.3	-179.8	-65.5	176.6	-177.4	162.3	2.1	110	L133 T134 E135	L133-R151 HydrophobicContact CB-CB 4Å; L133-R151 HydrophobicContact CD1-CB 4.15Å; T134-R151 WeakPolarHBondContact O-CA 3.37Å; E135-R151 HydrophobicContact CB-CG 4.2Å; E135-R151 HydrophobicContact CG-CG 4.03Å; E135-R151 IonicContact OE2-CZ 3.45Å; E135-R151 IonicContact OE2-NE 2.78Å; E135-R151 PolarHBondContact OE2-NE 3.38Å; E135-R151 IonicContact OE2-NH2 3.5Å; E135-R151 PolarHBondContact OE2-NH2 3.42Å
152	F	87.6	Confident	84.8	Confident	11 Å²	11	61.1 Å²	61.1	5%	0.048	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	151.7	-175.1	-62.3	-88.7	0	0	0	110.6	L133 T134 L136 L138 R150 D156 I161 E164 I198	L133-F152 CarbonylContact C-O 3.53Å; L133-F152 WeakPolarHBondContact CB-O 3.45Å; T134-F152 PolarHBondContact N-O 2.88Å; T134-F152 PolarHBondContact O-N 2.8Å; L136-F152 HydrophobicContact CB-CD2 4.17Å; L136-F152 HydrophobicContact CB-CE2 4.2Å; L136-F152 HydrophobicContact CD1-CD2 3.8Å; L136-F152 HydrophobicContact CD1-CE2 4.23Å; L136-F152 HydrophobicContact CG-CD2 4.21Å; L138-F152 HydrophobicContact CD1-CE2 4.23Å; L138-F152 HydrophobicContact CD1-CZ 4.16Å; L138-F152 HydrophobicContact CD2-CE2 4.36Å; R150-F152 HydrophobicContact CB-CD2 4.35Å; R150-F152 HydrophobicContact CB-CE2 3.59Å; R150-F152 HydrophobicContact CB-CZ 3.99Å; F152-D156 WeakPolarHBondContact CA-OD2 3.29Å; F152-D156 HydrophobicContact CB-CB 4.4Å; F152-D156 WeakPolarHBondContact CB-OD2 3.18Å; F152-I161 HydrophobicContact CD1-CG1 4.15Å; F152-I161 HydrophobicContact CE1-CB 4.36Å; F152-I161 HydrophobicContact CE1-CG1 4.08Å; F152-I161 HydrophobicContact CE1-CG2 4.45Å; F152-I161 HydrophobicContact CE2-CG2 4.39Å; F152-I161 HydrophobicContact CZ-CB 4.42Å; F152-I161 HydrophobicContact CZ-CG1 4.36Å; F152-I161 HydrophobicContact CZ-CG2 4.01Å; F152-E164 HydrophobicContact CE1-CB 4.21Å; F152-E164 HydrophobicContact CE1-CG 4.49Å; F152-E164 HydrophobicContact CZ-CB 4.34Å; F152-E164 HydrophobicContact CZ-CG 4.45Å; F152-I198 HydrophobicContact CB-CD1 3.3Å; F152-I198 HydrophobicContact CD2-CD1 4.5Å; F152-I198 HydrophobicContact CG-CD1 3.98Å
153	S	86.8	Confident	85.6	Confident	21 Å²	21	63.1 Å²	63.1	15%	0.147	32%	0.322	C	S	.	.			trans	-71.1	147.7	169.6	179.8	0	0	0	0	110.5	E130 A155 D156	E130-S153 WeakPolarHBondContact OE2-CA 3.31Å; E130-S153 VanDerWaalsContact OE2-CB 3.26Å; E130-S153 WeakPolarHBondContact OE2-CB 3.5Å; E130-S153 PolarHBondContact OE2-OG 2.91Å; S153-A155 PolarHBondContact O-N 3.27Å; S153-A155 VanDerWaalsContact O-N 3.09Å; S153-A155 PolarHBondContact OG-N 2.8Å; S153-D156 PolarHBondContact N-OD2 3.49Å; S153-D156 WeakPolarHBondContact O-CB 3.46Å; S153-D156 PolarHBondContact O-N 2.86Å
154	K	82.6	Confident	86.3	Confident	82 Å²	82	61.5 Å²	61.5	36%	0.357	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.2	171	-72.2	166.1	-172.3	168.3	0	113.2	E130 T134 T197 I198 Q199	E130-K154 VanDerWaalsContact OE1-CB 3.28Å; E130-K154 WeakPolarHBondContact OE1-CB 3.32Å; E130-K154 WeakPolarHBondContact OE1-CD 3.41Å; E130-K154 VanDerWaalsContact OE1-CG 3.23Å; E130-K154 WeakPolarHBondContact OE1-CG 3.42Å; E130-K154 PolarHBondContact OE1-N 2.87Å; T134-K154 WeakPolarHBondContact OG1-CE 3.33Å; T134-K154 VanDerWaalsContact OG1-CG 3.26Å; T134-K154 WeakPolarHBondContact OG1-CG 3.35Å; K154-T197 WeakPolarHBondContact O-CB 3.18Å; K154-I198 HydrophobicContact CG-CG2 4.48Å; K154-Q199 HydrophobicContact CB-CB 4.32Å; K154-Q199 PolarHBondContact O-N 3.48Å; K154-Q199 VanDerWaalsContact O-N 3.12Å
155	A	83.8	Confident	87	Confident	46 Å²	46	58.6 Å²	58.6	38%	0.38	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-8.2	173.7	0	0	0	0	0	114.4	V118 S153	V118-A155 HydrophobicContact CG1-CB 4.36Å; S153-A155 PolarHBondContact O-N 3.27Å; S153-A155 VanDerWaalsContact O-N 3.09Å; S153-A155 PolarHBondContact OG-N 2.8Å
156	D	88.9	Confident	87.8	Confident	51 Å²	51	52.6 Å²	52.6	27%	0.273	26%	0.264	S	S	.	.			trans	-68.1	146.5	174.6	-68.1	-22.8	0	0	0	110.4	F152 S153 T160 T197 I198	F152-D156 WeakPolarHBondContact CA-OD2 3.29Å; F152-D156 HydrophobicContact CB-CB 4.4Å; F152-D156 WeakPolarHBondContact CB-OD2 3.18Å; S153-D156 PolarHBondContact N-OD2 3.49Å; S153-D156 WeakPolarHBondContact O-CB 3.46Å; S153-D156 PolarHBondContact O-N 2.86Å; D156-T160 HydrophobicContact CB-CG2 4.45Å; D156-T197 CarbonylContact O-C 3.6Å; D156-T197 VanDerWaalsContact O-CA 3.25Å; D156-T197 WeakPolarHBondContact O-CA 3.42Å; D156-I198 HydrophobicContact CB-CD1 4.32Å; D156-I198 PolarHBondContact O-N 2.96Å
157	T	90.3	Very high	88.1	Confident	35 Å²	35	55.6 Å²	55.6	22%	0.215	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-91.3	156.9	-176	62.6	0	0	0	0	112.9	D159 T160 I161 P194 S196	T157-D159 PolarHBondContact O-N 3.48Å; T157-T160 WeakPolarHBondContact O-CA 3.46Å; T157-T160 VanDerWaalsContact O-CB 3.26Å; T157-T160 WeakPolarHBondContact O-CB 3.48Å; T157-T160 PolarHBondContact O-N 3.13Å; T157-T160 PolarHBondContact OG1-N 2.94Å; T157-T160 PolarHBondContact OG1-OG1 2.69Å; T157-I161 WeakPolarHBondContact O-CG1 3.21Å; T157-I161 PolarHBondContact O-N 2.89Å; T157-P194 WeakPolarHBondContact CB-O 3.49Å; T157-S196 CarbonylContact C-O 3.49Å; T157-S196 VanDerWaalsContact CA-O 3.27Å; T157-S196 WeakPolarHBondContact CA-O 3.5Å
158	I	90	Very high	88.2	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-55.8	-36.4	172.8	-61	-45.7	0	0	0	111.8	I161 E162 L179 L191 P194 S196 A201 L203	I158-I161 HydrophobicContact CD1-CD1 3.78Å; I158-I161 PolarHBondContact O-N 3.4Å; I158-E162 PolarHBondContact O-N 2.84Å; I158-L179 HydrophobicContact CG2-CD2 4.1Å; I158-L191 HydrophobicContact CD1-CD1 4.17Å; I158-L191 HydrophobicContact CG2-CB 3.86Å; I158-P194 PolarHBondContact N-O 2.85Å; I158-S196 WeakPolarHBondContact CG1-O 3.19Å; I158-S196 PolarHBondContact N-O 3.04Å; I158-A201 HydrophobicContact CD1-CB 3.88Å; I158-A201 HydrophobicContact CG1-CB 4.32Å; I158-L203 HydrophobicContact CD1-CD1 3.75Å
159	D	89.2	Confident	88.2	Confident	56 Å²	56	54.1 Å²	54.1	30%	0.299	26%	0.26	S	S	.	.	H	α-helix	trans	-60.8	-38.9	171.2	164.3	87	0	0	0	113.3	T157 I161 E162 K163 P194	T157-D159 PolarHBondContact O-N 3.48Å; D159-I161 VanDerWaalsContact C-N 3.35Å; D159-E162 PolarHBondContact O-N 3.15Å; D159-K163 WeakPolarHBondContact O-CD 3.36Å; D159-K163 WeakPolarHBondContact O-CG 3.36Å; D159-K163 PolarHBondContact O-N 3.34Å; D159-K163 VanDerWaalsContact O-N 3.08Å; D159-K163 WeakPolarHBondContact OD1-CE 3.21Å; D159-K163 IonicContact OD1-NZ 3.96Å; D159-K163 PolarHBondContact OD1-NZ 2.84Å; D159-K163 IonicContact OD2-NZ 3.16Å; D159-K163 PolarHBondContact OD2-NZ 3Å; D159-P194 HydrophobicContact CB-CB 3.84Å; D159-P194 WeakPolarHBondContact CB-O 3.41Å; D159-P194 PolarHBondContact N-O 3.3Å
160	T	90.6	Very high	88.2	Confident	58 Å²	58	56.1 Å²	56.1	36%	0.356	28%	0.277	S	S	.	.	H	α-helix	trans	-65.1	-41.5	175.6	-55.6	0	0	0	0	110.6	D156 T157 E164	D156-T160 HydrophobicContact CB-CG2 4.45Å; T157-T160 WeakPolarHBondContact O-CA 3.46Å; T157-T160 VanDerWaalsContact O-CB 3.26Å; T157-T160 WeakPolarHBondContact O-CB 3.48Å; T157-T160 PolarHBondContact O-N 3.13Å; T157-T160 PolarHBondContact OG1-N 2.94Å; T157-T160 PolarHBondContact OG1-OG1 2.69Å; T160-E164 PolarHBondContact O-N 2.59Å
161	I	89.8	Confident	88.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-47.9	175.2	-54.3	168.6	0	0	0	110.6	L136 L138 F152 T157 I158 D159 K163 E164 I165 L179 I198 L203 L209	L136-I161 HydrophobicContact CD1-CD1 4.08Å; L138-I161 HydrophobicContact CD2-CG2 4.36Å; F152-I161 HydrophobicContact CD1-CG1 4.15Å; F152-I161 HydrophobicContact CE1-CB 4.36Å; F152-I161 HydrophobicContact CE1-CG1 4.08Å; F152-I161 HydrophobicContact CE1-CG2 4.45Å; F152-I161 HydrophobicContact CE2-CG2 4.39Å; F152-I161 HydrophobicContact CZ-CB 4.42Å; F152-I161 HydrophobicContact CZ-CG1 4.36Å; F152-I161 HydrophobicContact CZ-CG2 4.01Å; T157-I161 WeakPolarHBondContact O-CG1 3.21Å; T157-I161 PolarHBondContact O-N 2.89Å; I158-I161 HydrophobicContact CD1-CD1 3.78Å; I158-I161 PolarHBondContact O-N 3.4Å; D159-I161 VanDerWaalsContact C-N 3.35Å; I161-K163 VanDerWaalsContact C-N 3.28Å; I161-K163 PolarHBondContact O-N 2.86Å; I161-E164 PolarHBondContact O-N 3.5Å; I161-I165 HydrophobicContact CG2-CD1 3.71Å; I161-I165 HydrophobicContact CG2-CG1 4.21Å; I161-I165 VanDerWaalsContact O-CG1 3.24Å; I161-I165 WeakPolarHBondContact O-CG1 3.33Å; I161-I165 PolarHBondContact O-N 3.43Å; I161-L179 HydrophobicContact CB-CD2 4.41Å; I161-L179 HydrophobicContact CG2-CD2 4.1Å; I161-I198 HydrophobicContact CD1-CD1 3.74Å; I161-I198 HydrophobicContact CD1-CG1 3.55Å; I161-I198 HydrophobicContact CG1-CD1 4.2Å; I161-I198 HydrophobicContact CG1-CG1 4.4Å; I161-L203 HydrophobicContact CD1-CD1 4.16Å; I161-L209 HydrophobicContact CD1-CD1 4.27Å; I161-L209 HydrophobicContact CG2-CD1 3.77Å
162	E	89.6	Confident	88.1	Confident	46 Å²	46	46.6 Å²	46.6	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-57.7	-42.3	-180	-167.1	-170.1	126.9	0	0	111.3	I158 D159 I165 R166 T177 I211	I158-E162 PolarHBondContact O-N 2.84Å; D159-E162 PolarHBondContact O-N 3.15Å; E162-I165 PolarHBondContact O-N 3.02Å; E162-R166 WeakPolarHBondContact O-CB 3.36Å; E162-R166 VanDerWaalsContact O-CG 3.31Å; E162-R166 WeakPolarHBondContact O-CG 3.33Å; E162-R166 PolarHBondContact O-N 3Å; E162-R166 IonicContact OE1-CZ 3.2Å; E162-R166 IonicContact OE1-NE 3.64Å; E162-R166 PolarHBondContact OE1-NE 2.97Å; E162-R166 IonicContact OE1-NH2 3.79Å; E162-R166 PolarHBondContact OE1-NH2 3.41Å; E162-T177 PolarHBondContact OE1-OG1 2.69Å; E162-T177 VanDerWaalsContact OE1-OG1 3.09Å; E162-I211 HydrophobicContact CG-CD1 4.11Å
163	K	89.9	Confident	87.7	Confident	113 Å²	113	52.5 Å²	52.5	49%	0.491	28%	0.281	S	S	.	.	H	α-helix	trans	-63.3	-44.2	177.1	-74.4	165.2	-177.8	162.7	0	113	D159 I161 I165 R166 K167	D159-K163 WeakPolarHBondContact O-CD 3.36Å; D159-K163 WeakPolarHBondContact O-CG 3.36Å; D159-K163 PolarHBondContact O-N 3.34Å; D159-K163 VanDerWaalsContact O-N 3.08Å; D159-K163 WeakPolarHBondContact OD1-CE 3.21Å; D159-K163 IonicContact OD1-NZ 3.96Å; D159-K163 PolarHBondContact OD1-NZ 2.84Å; D159-K163 IonicContact OD2-NZ 3.16Å; D159-K163 PolarHBondContact OD2-NZ 3Å; I161-K163 VanDerWaalsContact C-N 3.28Å; I161-K163 PolarHBondContact O-N 2.86Å; K163-I165 VanDerWaalsContact C-N 3.35Å; K163-R166 PolarHBondContact O-N 2.91Å; K163-K167 WeakPolarHBondContact O-CB 3.25Å; K163-K167 PolarHBondContact O-N 3.28Å
164	E	89.5	Confident	87.4	Confident	44 Å²	44	59.8 Å²	59.8	21%	0.206	31%	0.313	C	S	.	.	H	α-helix	trans	-68.2	-35.7	176.8	-169.3	61.4	-163.6	0	0	111.4	F152 T160 I161 K167 I168	F152-E164 HydrophobicContact CE1-CB 4.21Å; F152-E164 HydrophobicContact CE1-CG 4.49Å; F152-E164 HydrophobicContact CZ-CB 4.34Å; F152-E164 HydrophobicContact CZ-CG 4.45Å; T160-E164 PolarHBondContact O-N 2.59Å; I161-E164 PolarHBondContact O-N 3.5Å; E164-K167 PolarHBondContact O-N 3.27Å; E164-K167 IonicContact OE1-NZ 3.16Å; E164-K167 PolarHBondContact OE1-NZ 3.48Å; E164-K167 IonicContact OE2-NZ 3.25Å; E164-K167 PolarHBondContact OE2-NZ 2.86Å; E164-I168 HydrophobicContact CG-CD1 4.04Å; E164-I168 WeakPolarHBondContact O-CB 3.24Å; E164-I168 WeakPolarHBondContact O-CD1 3.37Å; E164-I168 WeakPolarHBondContact O-CG1 3.43Å; E164-I168 PolarHBondContact O-N 3.39Å
165	I	90.1	Very high	87.3	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.1	-48.9	172	-63.6	166.7	0	0	0	111.1	L138 I161 E162 K163 K167 I168 F169 L179 I211	L138-I165 HydrophobicContact CB-CG1 4.19Å; L138-I165 HydrophobicContact CD1-CG1 3.8Å; L138-I165 HydrophobicContact CD2-CD1 4.02Å; L138-I165 HydrophobicContact CD2-CG1 3.95Å; L138-I165 HydrophobicContact CG-CG1 4.18Å; I161-I165 HydrophobicContact CG2-CD1 3.71Å; I161-I165 HydrophobicContact CG2-CG1 4.21Å; I161-I165 VanDerWaalsContact O-CG1 3.24Å; I161-I165 WeakPolarHBondContact O-CG1 3.33Å; I161-I165 PolarHBondContact O-N 3.43Å; E162-I165 PolarHBondContact O-N 3.02Å; K163-I165 VanDerWaalsContact C-N 3.35Å; I165-K167 VanDerWaalsContact C-N 3.27Å; I165-K167 PolarHBondContact O-N 2.95Å; I165-I168 PolarHBondContact O-N 2.88Å; I165-I168 VanDerWaalsContact O-N 3.1Å; I165-F169 HydrophobicContact CG2-CD2 3.63Å; I165-F169 HydrophobicContact CG2-CE2 3.95Å; I165-F169 WeakPolarHBondContact O-CD2 3.49Å; I165-F169 PolarHBondContact O-N 3.29Å; I165-L179 HydrophobicContact CD1-CD1 3.33Å; I165-L179 HydrophobicContact CD1-CD2 3.97Å; I165-L179 HydrophobicContact CD1-CG 4.31Å; I165-I211 HydrophobicContact CB-CD1 4.26Å; I165-I211 HydrophobicContact CG2-CB 3.74Å; I165-I211 HydrophobicContact CG2-CD1 3.74Å; I165-I211 HydrophobicContact CG2-CG1 4.37Å; I165-I211 HydrophobicContact CG2-CG2 3.47Å; I165-I211 VanDerWaalsContact CG2-CG2 3.47Å
166	R	88.8	Confident	87.2	Confident	27 Å²	27	62.7 Å²	62.7	10%	0.102	32%	0.318	C	S	.	.	H	α-helix	trans	-54	-46	177.3	-76.9	171.1	177	-92.6	3	111.1	E162 K163 S170 I171 P172 K175 T177 I211	E162-R166 WeakPolarHBondContact O-CB 3.36Å; E162-R166 VanDerWaalsContact O-CG 3.31Å; E162-R166 WeakPolarHBondContact O-CG 3.33Å; E162-R166 PolarHBondContact O-N 3Å; E162-R166 IonicContact OE1-CZ 3.2Å; E162-R166 IonicContact OE1-NE 3.64Å; E162-R166 PolarHBondContact OE1-NE 2.97Å; E162-R166 IonicContact OE1-NH2 3.79Å; E162-R166 PolarHBondContact OE1-NH2 3.41Å; K163-R166 PolarHBondContact O-N 2.91Å; R166-S170 CarbonylContact O-C 3.45Å; R166-S170 WeakPolarHBondContact O-CA 3.43Å; R166-S170 PolarHBondContact O-N 2.96Å; R166-I171 HydrophobicContact CB-CB 4.28Å; R166-I171 HydrophobicContact CG-CB 4.23Å; R166-I171 PolarHBondContact O-N 2.8Å; R166-P172 PolarHBondContact NH1-O 2.98Å; R166-P172 VanDerWaalsContact NH1-O 3.13Å; R166-K175 PolarHBondContact NH1-O 3.37Å; R166-K175 PolarHBondContact NH2-O 2.86Å; R166-K175 VanDerWaalsContact NH2-O 3.08Å; R166-T177 PolarHBondContact NH2-OG1 3.16Å; R166-T177 VanDerWaalsContact NH2-OG1 3.11Å; R166-I211 HydrophobicContact CG-CD1 4.19Å
167	K	89.2	Confident	87.1	Confident	141 Å²	141	61 Å²	61	61%	0.613	31%	0.31	S	S	*	.	H	α-helix	trans	-62.7	-40.7	176	172.4	174.4	155.5	-119.9	0	113.1	K163 E164 I165	K163-K167 WeakPolarHBondContact O-CB 3.25Å; K163-K167 PolarHBondContact O-N 3.28Å; E164-K167 PolarHBondContact O-N 3.27Å; E164-K167 IonicContact OE1-NZ 3.16Å; E164-K167 PolarHBondContact OE1-NZ 3.48Å; E164-K167 IonicContact OE2-NZ 3.25Å; E164-K167 PolarHBondContact OE2-NZ 2.86Å; I165-K167 VanDerWaalsContact C-N 3.27Å; I165-K167 PolarHBondContact O-N 2.95Å
168	I	87.4	Confident	87	Confident	39 Å²	39	64 Å²	64	20%	0.2	32%	0.317	C	S	.	.	H	α-helix	trans	-66.2	-45.3	177.5	-73.1	163	0	0	0	111.8	L138 V148 R150 E164 I165	L138-I168 HydrophobicContact CD1-CD1 3.78Å; V148-I168 HydrophobicContact CB-CG2 4.1Å; V148-I168 HydrophobicContact CG1-CD1 4.29Å; V148-I168 HydrophobicContact CG1-CG2 4Å; V148-I168 HydrophobicContact CG2-CG2 3.95Å; R150-I168 HydrophobicContact CG-CD1 3.65Å; E164-I168 HydrophobicContact CG-CD1 4.04Å; E164-I168 WeakPolarHBondContact O-CB 3.24Å; E164-I168 WeakPolarHBondContact O-CD1 3.37Å; E164-I168 WeakPolarHBondContact O-CG1 3.43Å; E164-I168 PolarHBondContact O-N 3.39Å; I165-I168 PolarHBondContact O-N 2.88Å; I165-I168 VanDerWaalsContact O-N 3.1Å
169	F	88	Confident	86.9	Confident	31 Å²	31	64.1 Å²	64.1	14%	0.136	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	13.4	-177.6	-61.7	-75.8	0	0	0	113.7	L138 E140 V148 I165 I171	L138-F169 HydrophobicContact CB-CE2 4.32Å; E140-F169 HydrophobicContact CB-CD1 4.22Å; E140-F169 HydrophobicContact CB-CG 4.4Å; V148-F169 HydrophobicContact CB-CZ 4.38Å; V148-F169 HydrophobicContact CG2-CE1 4.29Å; V148-F169 HydrophobicContact CG2-CZ 3.96Å; I165-F169 HydrophobicContact CG2-CD2 3.63Å; I165-F169 HydrophobicContact CG2-CE2 3.95Å; I165-F169 WeakPolarHBondContact O-CD2 3.49Å; I165-F169 PolarHBondContact O-N 3.29Å; F169-I171 VanDerWaalsContact C-N 3.26Å; F169-I171 HydrophobicContact CB-CD1 4.04Å; F169-I171 HydrophobicContact CB-CG1 3.93Å; F169-I171 PolarHBondContact O-N 3.22Å
170	S	86.7	Confident	86.7	Confident	106 Å²	106	63.1 Å²	63.1	74%	0.741	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	38.5	178.8	-56.9	0	0	0	0	114.3	R166	R166-S170 CarbonylContact O-C 3.45Å; R166-S170 WeakPolarHBondContact O-CA 3.43Å; R166-S170 PolarHBondContact O-N 2.96Å
171	I	85.8	Confident	86.3	Confident	8 Å²	8	60.4 Å²	60.4	4%	0.041	29%	0.293	C	S	.	.			trans	-84.6	121.4	-178.1	-51.5	179	0	0	0	109.4	R166 F169 K175 T177 I211 Q213	R166-I171 HydrophobicContact CB-CB 4.28Å; R166-I171 HydrophobicContact CG-CB 4.23Å; R166-I171 PolarHBondContact O-N 2.8Å; F169-I171 VanDerWaalsContact C-N 3.26Å; F169-I171 HydrophobicContact CB-CD1 4.04Å; F169-I171 HydrophobicContact CB-CG1 3.93Å; F169-I171 PolarHBondContact O-N 3.22Å; I171-K175 HydrophobicContact CG2-CB 4.31Å; I171-K175 HydrophobicContact CG2-CD 4.42Å; I171-T177 HydrophobicContact CG2-CG2 3.92Å; I171-I211 HydrophobicContact CD1-CD1 4.01Å; I171-I211 HydrophobicContact CD1-CG1 4.28Å; I171-I211 HydrophobicContact CD1-CG2 3.82Å; I171-Q213 HydrophobicContact CD1-CG 4.07Å; I171-Q213 HydrophobicContact CG2-CG 4.11Å
172	P	85.1	Confident	85.9	Confident	60 Å²	60	62.4 Å²	62.4	39%	0.39	30%	0.302	S	S	.	.			trans	-62.9	146.8	179.6	-21.9	32.9	0	0	0	113.4	R166 E174 K175	R166-P172 PolarHBondContact NH1-O 2.98Å; R166-P172 VanDerWaalsContact NH1-O 3.13Å; P172-E174 WeakPolarHBondContact CB-OE2 3.24Å; P172-E174 PolarHBondContact O-N 2.96Å; P172-K175 PolarHBondContact O-N 3.18Å; P172-K175 VanDerWaalsContact O-N 3.11Å
173	D	79.5	Confident	84.4	Confident	135 Å²	135	63.4 Å²	63.4	72%	0.722	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-25.6	179.9	-74.2	-29.7	0	0	0	112.8	K175	D173-K175 PolarHBondContact O-N 2.9Å
174	E	79.8	Confident	82.6	Confident	173 Å²	173	64.2 Å²	64.2	81%	0.808	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-12.6	176.2	-52.1	86.5	167.4	0	0	113.2	P172	P172-E174 WeakPolarHBondContact CB-OE2 3.24Å; P172-E174 PolarHBondContact O-N 2.96Å
175	K	80.8	Confident	81	Confident	81 Å²	81	66.1 Å²	66.1	35%	0.352	33%	0.33	S	S	.	.	S	Bend	trans	-84.7	126.2	175.5	-68.3	-162.7	-179.1	-167.9	0	111.5	R166 I171 P172 D173 T177	R166-K175 PolarHBondContact NH1-O 3.37Å; R166-K175 PolarHBondContact NH2-O 2.86Å; R166-K175 VanDerWaalsContact NH2-O 3.08Å; I171-K175 HydrophobicContact CG2-CB 4.31Å; I171-K175 HydrophobicContact CG2-CD 4.42Å; P172-K175 PolarHBondContact O-N 3.18Å; P172-K175 VanDerWaalsContact O-N 3.11Å; D173-K175 PolarHBondContact O-N 2.9Å; K175-T177 PolarHBondContact O-N 3.15Å
176	E	82.4	Confident	79.3	Confident	108 Å²	108	72.7 Å²	72.7	51%	0.505	37%	0.365	S	S	.	.			trans	-60.1	129.9	160.2	-74.8	177.5	-115.1	0	0	109.7	K214 W220	E176-K214 HydrophobicContact CB-CB 4.02Å; E176-K214 HydrophobicContact CB-CD 3.77Å; E176-K214 HydrophobicContact CG-CD 4.24Å; E176-K214 WeakPolarHBondContact O-CB 3.22Å; E176-K214 PolarHBondContact O-N 3.31Å; E176-K214 IonicContact OE1-NZ 3.29Å; E176-K214 PolarHBondContact OE1-NZ 3.32Å; E176-K214 WeakPolarHBondContact OE2-CD 3.48Å; E176-K214 IonicContact OE2-NZ 2.71Å; E176-K214 PolarHBondContact OE2-NZ 3.33Å; E176-W220 HydrophobicContact CB-CH2 3.92Å; E176-W220 HydrophobicContact CB-CZ2 4.19Å
177	T	87.6	Confident	77.9	Confident	17 Å²	17	74.3 Å²	74.3	10%	0.104	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	171.5	171.2	72.5	0	0	0	0	110.7	E162 R166 I171 K175 I211 E212 Q213	E162-T177 PolarHBondContact OE1-OG1 2.69Å; E162-T177 VanDerWaalsContact OE1-OG1 3.09Å; R166-T177 PolarHBondContact NH2-OG1 3.16Å; R166-T177 VanDerWaalsContact NH2-OG1 3.11Å; I171-T177 HydrophobicContact CG2-CG2 3.92Å; K175-T177 PolarHBondContact O-N 3.15Å; T177-I211 HydrophobicContact CG2-CD1 4.14Å; T177-I211 HydrophobicContact CG2-CG1 4.23Å; T177-E212 CarbonylContact C-O 3.56Å; T177-E212 WeakPolarHBondContact CA-O 3.45Å; T177-E212 WeakPolarHBondContact CB-O 3.48Å; T177-Q213 HydrophobicContact CG2-CG 4.46Å
178	R	87.3	Confident	77.2	Confident	96 Å²	96	70.3 Å²	70.3	36%	0.362	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.8	168.8	-74.5	170.6	175.9	-180	-5.5	109.6	I211 E212 W220	R178-I211 WeakPolarHBondContact O-CA 3.32Å; R178-E212 HydrophobicContact CB-CB 4.42Å; R178-E212 PolarHBondContact N-O 2.74Å; R178-E212 PolarHBondContact O-N 3.41Å; R178-W220 HydrophobicContact CB-CZ3 4.18Å; R178-W220 HydrophobicContact CG-CE3 4.21Å; R178-W220 HydrophobicContact CG-CH2 3.7Å; R178-W220 HydrophobicContact CG-CZ2 4.27Å; R178-W220 HydrophobicContact CG-CZ3 3.67Å
179	L	88.6	Confident	76.7	Confident	8 Å²	8	73 Å²	73	4%	0.042	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.6	173.9	-168.2	57.1	0	0	0	110.9	I158 I161 I165 L191 L209 I211	I158-L179 HydrophobicContact CG2-CD2 4.1Å; I161-L179 HydrophobicContact CB-CD2 4.41Å; I161-L179 HydrophobicContact CG2-CD2 4.1Å; I165-L179 HydrophobicContact CD1-CD1 3.33Å; I165-L179 HydrophobicContact CD1-CD2 3.97Å; I165-L179 HydrophobicContact CD1-CG 4.31Å; L179-L191 HydrophobicContact CD2-CD1 4.21Å; L179-L191 HydrophobicContact CG-CD1 4.17Å; L179-L191 PolarHBondContact O-N 3.39Å; L179-L209 HydrophobicContact CD1-CB 4.11Å; L179-L209 HydrophobicContact CD2-CD1 4.41Å; L179-I211 HydrophobicContact CD1-CB 4.36Å
180	W	83.8	Confident	76.5	Confident	35 Å²	35	74 Å²	74	13%	0.133	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133	-177.9	-60.2	89.7	0	0	0	110.9	F188 E189 P190 L209 V210 E212	W180-F188 HydrophobicContact CB-CB 4.33Å; W180-F188 HydrophobicContact CB-CD1 4.02Å; W180-F188 HydrophobicContact CD2-CB 4.34Å; W180-F188 HydrophobicContact CE3-CB 3.8Å; W180-F188 HydrophobicContact CZ3-CB 4.48Å; W180-E189 CarbonylContact C-O 3.58Å; W180-E189 WeakPolarHBondContact CA-O 3.38Å; W180-P190 HydrophobicContact CD2-CB 4.46Å; W180-P190 HydrophobicContact CE3-CB 3.79Å; W180-P190 HydrophobicContact CE3-CG 4.44Å; W180-P190 HydrophobicContact CH2-CB 4.19Å; W180-P190 HydrophobicContact CZ3-CB 3.65Å; W180-P190 HydrophobicContact CZ3-CG 3.99Å; W180-L209 CarbonylContact O-C 3.6Å; W180-L209 WeakPolarHBondContact O-CA 3.4Å; W180-V210 HydrophobicContact CB-CB 4.46Å; W180-V210 WeakPolarHBondContact CB-O 3.43Å; W180-V210 PolarHBondContact N-O 3.07Å; W180-V210 PolarHBondContact O-N 2.96Å; W180-E212 WeakPolarHBondContact CZ2-OE2 3.31Å; W180-E212 PolarHBondContact NE1-OE2 3.36Å
181	N	83.6	Confident	76.3	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.6	168.5	-176.1	4.5	0	0	0	110.3	Y183 F188 E189 L191 L203 Q207 L209	N181-Y183 HydrophobicContact CB-CE2 4.5Å; N181-Y183 PolarHBondContact ND2-OH 3.49Å; N181-Y183 VanDerWaalsContact ND2-OH 3.17Å; N181-F188 CarbonylContact O-C 3.58Å; N181-F188 VanDerWaalsContact O-CA 3.31Å; N181-F188 WeakPolarHBondContact O-CA 3.49Å; N181-E189 HydrophobicContact CB-CB 4.41Å; N181-E189 PolarHBondContact N-O 3.11Å; N181-E189 PolarHBondContact O-N 3.24Å; N181-L191 HydrophobicContact CB-CD1 4.22Å; N181-L191 HydrophobicContact CB-CD2 4.19Å; N181-L191 HydrophobicContact CB-CG 4.14Å; N181-L203 HydrophobicContact CB-CD2 4.4Å; N181-L203 VanDerWaalsContact ND2-CD2 3.3Å; N181-L203 WeakPolarHBondContact ND2-CD2 3.43Å; N181-Q207 PolarHBondContact ND2-NE2 3.36Å; N181-Q207 VanDerWaalsContact OD1-CD 3.24Å; N181-Q207 VanDerWaalsContact OD1-CG 3.25Å; N181-Q207 WeakPolarHBondContact OD1-CG 3.47Å; N181-Q207 PolarHBondContact OD1-NE2 2.79Å; N181-L209 HydrophobicContact CB-CD2 3.97Å
182	K	79.6	Confident	76	Confident	43 Å²	43	75.6 Å²	75.6	19%	0.187	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	105.7	-176.5	-175.1	-166.5	-177.9	-167.8	0	110.8	M144 M184 S185 T187 F188 V208 V210	M144-K182 HydrophobicContact CE-CD 4.35Å; K182-M184 VanDerWaalsContact CE-O 3.29Å; K182-M184 WeakPolarHBondContact CE-O 3.48Å; K182-M184 VanDerWaalsContact CG-O 3.28Å; K182-M184 WeakPolarHBondContact CG-O 3.42Å; K182-S185 WeakPolarHBondContact CE-O 3.15Å; K182-T187 WeakPolarHBondContact CA-O 3.34Å; K182-F188 HydrophobicContact CB-CD1 4.15Å; K182-F188 HydrophobicContact CB-CE1 4.2Å; K182-F188 HydrophobicContact CD-CE1 4.06Å; K182-F188 HydrophobicContact CD-CZ 4.29Å; K182-F188 HydrophobicContact CG-CD1 4.28Å; K182-F188 HydrophobicContact CG-CE1 4.02Å; K182-F188 HydrophobicContact CG-CZ 4.4Å; K182-V208 HydrophobicContact CB-CB 4.2Å; K182-V208 HydrophobicContact CB-CG1 4.26Å; K182-V208 WeakPolarHBondContact CB-O 3.34Å; K182-V208 HydrophobicContact CD-CG1 4.13Å; K182-V208 PolarHBondContact N-O 3.01Å; K182-V210 HydrophobicContact CB-CG2 3.95Å; K182-V210 HydrophobicContact CD-CG2 4.13Å
183	Y	58	Low	75.8	Confident	67 Å²	67	80 Å²	80	26%	0.263	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-37.7	-179.3	-62.4	-89.3	0	0	0	114	N181 T187 E189 Y204	N181-Y183 HydrophobicContact CB-CE2 4.5Å; N181-Y183 PolarHBondContact ND2-OH 3.49Å; N181-Y183 VanDerWaalsContact ND2-OH 3.17Å; Y183-T187 PolarHBondContact N-O 2.87Å; Y183-E189 HydrophobicContact CE2-CB 3.97Å; Y183-E189 VanDerWaalsContact CE2-OE2 3.27Å; Y183-E189 WeakPolarHBondContact CE2-OE2 3.39Å; Y183-E189 PolarHBondContact OH-OE2 3.01Å; Y183-Y204 HydrophobicContact CD1-CE1 4.32Å; Y183-Y204 HydrophobicContact CE1-CE1 4.26Å
184	M	54.1	Low	75.9	Confident	130 Å²	130	76.6 Å²	76.6	64%	0.64	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.1	173.7	-177.9	-79.2	-75.6	112.5	0	0	109	K182 N186 T187	K182-M184 VanDerWaalsContact CE-O 3.29Å; K182-M184 WeakPolarHBondContact CE-O 3.48Å; K182-M184 VanDerWaalsContact CG-O 3.28Å; K182-M184 WeakPolarHBondContact CG-O 3.42Å; M184-N186 VanDerWaalsContact C-N 3.26Å; M184-N186 PolarHBondContact O-N 3.11Å; M184-T187 PolarHBondContact N-OG1 2.8Å; M184-T187 PolarHBondContact O-N 2.91Å
185	S	54.2	Low	76.2	Confident	83 Å²	83	75.1 Å²	75.1	58%	0.58	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.4	-43.9	-173.2	50.4	0	0	0	0	115	K182	K182-S185 WeakPolarHBondContact CE-O 3.15Å
186	N	55.8	Low	76.3	Confident	138 Å²	138	72.2 Å²	72.2	74%	0.738	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	1	-172.2	-65.7	-16.6	0	0	0	115.5	M184	M184-N186 VanDerWaalsContact C-N 3.26Å; M184-N186 PolarHBondContact O-N 3.11Å
187	T	58.2	Low	76.4	Confident	62 Å²	62	68.4 Å²	68.4	38%	0.38	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	121.6	-173.7	58.4	0	0	0	0	112.2	K182 Y183 M184	K182-T187 WeakPolarHBondContact CA-O 3.34Å; Y183-T187 PolarHBondContact N-O 2.87Å; M184-T187 PolarHBondContact N-OG1 2.8Å; M184-T187 PolarHBondContact O-N 2.91Å
188	F	75.4	Confident	76.2	Confident	57 Å²	57	67.6 Å²	67.6	25%	0.25	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.3	-178	-60.5	-96	0	0	0	111.6	M144 W180 N181 K182 V210	M144-F188 HydrophobicContact CE-CE1 4.43Å; M144-F188 HydrophobicContact CE-CZ 3.87Å; M144-F188 HydrophobicContact SD-CZ 4.45Å; W180-F188 HydrophobicContact CB-CB 4.33Å; W180-F188 HydrophobicContact CB-CD1 4.02Å; W180-F188 HydrophobicContact CD2-CB 4.34Å; W180-F188 HydrophobicContact CE3-CB 3.8Å; W180-F188 HydrophobicContact CZ3-CB 4.48Å; N181-F188 CarbonylContact O-C 3.58Å; N181-F188 VanDerWaalsContact O-CA 3.31Å; N181-F188 WeakPolarHBondContact O-CA 3.49Å; K182-F188 HydrophobicContact CB-CD1 4.15Å; K182-F188 HydrophobicContact CB-CE1 4.2Å; K182-F188 HydrophobicContact CD-CE1 4.06Å; K182-F188 HydrophobicContact CD-CZ 4.29Å; K182-F188 HydrophobicContact CG-CD1 4.28Å; K182-F188 HydrophobicContact CG-CE1 4.02Å; K182-F188 HydrophobicContact CG-CZ 4.4Å; F188-V210 HydrophobicContact CD1-CG2 4.44Å; F188-V210 HydrophobicContact CE1-CB 4.26Å; F188-V210 HydrophobicContact CE1-CG1 4.48Å; F188-V210 HydrophobicContact CE1-CG2 3.93Å
189	E	77.5	Confident	75.7	Confident	95 Å²	95	65.2 Å²	65.2	44%	0.444	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.2	173.7	-179.3	175.5	-164.8	0	0	110.4	W180 N181 Y183	W180-E189 CarbonylContact C-O 3.58Å; W180-E189 WeakPolarHBondContact CA-O 3.38Å; N181-E189 HydrophobicContact CB-CB 4.41Å; N181-E189 PolarHBondContact N-O 3.11Å; N181-E189 PolarHBondContact O-N 3.24Å; Y183-E189 HydrophobicContact CE2-CB 3.97Å; Y183-E189 VanDerWaalsContact CE2-OE2 3.27Å; Y183-E189 WeakPolarHBondContact CE2-OE2 3.39Å; Y183-E189 PolarHBondContact OH-OE2 3.01Å
190	P	82.6	Confident	75.2	Confident	53 Å²	53	68 Å²	68	34%	0.344	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	121.9	-175.3	31.2	-33.3	0	0	0	112.3	W180 N192	W180-P190 HydrophobicContact CD2-CB 4.46Å; W180-P190 HydrophobicContact CE3-CB 3.79Å; W180-P190 HydrophobicContact CE3-CG 4.44Å; W180-P190 HydrophobicContact CH2-CB 4.19Å; W180-P190 HydrophobicContact CZ3-CB 3.65Å; W180-P190 HydrophobicContact CZ3-CG 3.99Å; P190-N192 WeakPolarHBondContact CG-ND2 3.32Å; P190-N192 PolarHBondContact O-N 3.45Å
191	L	83.6	Confident	74.9	Confident	25 Å²	25	67.5 Å²	67.5	13%	0.131	36%	0.359	C	S	.	.			trans	-80.6	62	-179.9	-64.9	177.6	0	0	0	111.7	I158 L179 N181 K193 A201 L203 L209	I158-L191 HydrophobicContact CD1-CD1 4.17Å; I158-L191 HydrophobicContact CG2-CB 3.86Å; L179-L191 HydrophobicContact CD2-CD1 4.21Å; L179-L191 HydrophobicContact CG-CD1 4.17Å; L179-L191 PolarHBondContact O-N 3.39Å; N181-L191 HydrophobicContact CB-CD1 4.22Å; N181-L191 HydrophobicContact CB-CD2 4.19Å; N181-L191 HydrophobicContact CB-CG 4.14Å; L191-K193 PolarHBondContact O-N 2.98Å; L191-A201 HydrophobicContact CD2-CB 4.42Å; L191-L203 HydrophobicContact CD1-CD1 4.23Å; L191-L203 HydrophobicContact CD1-CD2 4.46Å; L191-L209 HydrophobicContact CD1-CD1 4.44Å; L191-L209 HydrophobicContact CD1-CD2 3.82Å
192	N	78.3	Confident	74.4	Confident	121 Å²	121	70 Å²	70	65%	0.647	38%	0.384	S	S	*	.			trans	-70.9	13.3	-171.4	-66.7	-41.3	0	0	0	116.1	P190	P190-N192 WeakPolarHBondContact CG-ND2 3.32Å; P190-N192 PolarHBondContact O-N 3.45Å
193	K	81.2	Confident	74.3	Confident	153 Å²	153	68.6 Å²	68.6	67%	0.665	38%	0.379	S	S	*	.			trans	-125.8	89.2	-175.3	-69	-179.6	-177.7	171.7	0	110.2	L191 D195 S196	L191-K193 PolarHBondContact O-N 2.98Å; K193-D195 VanDerWaalsContact C-N 3.28Å; K193-D195 PolarHBondContact O-N 2.88Å; K193-S196 VanDerWaalsContact O-CB 3.23Å; K193-S196 WeakPolarHBondContact O-CB 3.16Å; K193-S196 PolarHBondContact O-N 2.76Å
194	P	82.4	Confident	75.2	Confident	63 Å²	63	69.3 Å²	69.3	41%	0.409	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-37.9	-175.2	20.7	-32	0	0	0	113.1	T157 I158 D159 S196	T157-P194 WeakPolarHBondContact CB-O 3.49Å; I158-P194 PolarHBondContact N-O 2.85Å; D159-P194 HydrophobicContact CB-CB 3.84Å; D159-P194 WeakPolarHBondContact CB-O 3.41Å; D159-P194 PolarHBondContact N-O 3.3Å; P194-S196 VanDerWaalsContact C-N 3.28Å; P194-S196 PolarHBondContact O-N 3.26Å
195	D	84.5	Confident	76.4	Confident	142 Å²	142	68.5 Å²	68.5	76%	0.759	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-6.1	-180	-49	-70.4	0	0	0	114.3	K193	K193-D195 VanDerWaalsContact C-N 3.28Å; K193-D195 PolarHBondContact O-N 2.88Å
196	S	83.4	Confident	77.5	Confident	20 Å²	20	65.7 Å²	65.7	14%	0.14	36%	0.36	C	S	.	.			trans	-68.4	135.5	176.8	-169.8	0	0	0	0	109.6	T157 I158 K193 P194 D200 A201	T157-S196 CarbonylContact C-O 3.49Å; T157-S196 VanDerWaalsContact CA-O 3.27Å; T157-S196 WeakPolarHBondContact CA-O 3.5Å; I158-S196 WeakPolarHBondContact CG1-O 3.19Å; I158-S196 PolarHBondContact N-O 3.04Å; K193-S196 VanDerWaalsContact O-CB 3.23Å; K193-S196 WeakPolarHBondContact O-CB 3.16Å; K193-S196 PolarHBondContact O-N 2.76Å; P194-S196 VanDerWaalsContact C-N 3.28Å; P194-S196 PolarHBondContact O-N 3.26Å; S196-D200 WeakPolarHBondContact OG-CB 3.32Å; S196-A201 PolarHBondContact OG-N 2.82Å
197	T	85.3	Confident	78.9	Confident	28 Å²	28	59.4 Å²	59.4	17%	0.172	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-73.5	163.6	169.9	68.5	0	0	0	0	111.2	K154 D156 Q199 D200 A201	K154-T197 WeakPolarHBondContact O-CB 3.18Å; D156-T197 CarbonylContact O-C 3.6Å; D156-T197 VanDerWaalsContact O-CA 3.25Å; D156-T197 WeakPolarHBondContact O-CA 3.42Å; T197-Q199 PolarHBondContact O-N 3.26Å; T197-Q199 PolarHBondContact OG1-N 3.25Å; T197-D200 WeakPolarHBondContact CB-OD2 3.29Å; T197-D200 WeakPolarHBondContact CG2-OD2 3.28Å; T197-D200 PolarHBondContact N-OD2 2.83Å; T197-D200 PolarHBondContact O-N 2.78Å; T197-D200 VanDerWaalsContact O-N 3.14Å; T197-D200 WeakPolarHBondContact OG1-CB 3.42Å; T197-D200 PolarHBondContact OG1-N 2.83Å; T197-D200 PolarHBondContact OG1-OD2 3.2Å; T197-A201 VanDerWaalsContact O-CB 3.32Å; T197-A201 WeakPolarHBondContact O-CB 3.41Å; T197-A201 PolarHBondContact O-N 2.9Å
198	I	82.5	Confident	80.3	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-42.5	168.4	-79.3	179	0	0	0	111	T134 L136 F152 K154 D156 I161 G202 L203	T134-I198 HydrophobicContact CG2-CG2 4.26Å; L136-I198 HydrophobicContact CD1-CD1 3.79Å; L136-I198 HydrophobicContact CD1-CG1 4.42Å; F152-I198 HydrophobicContact CB-CD1 3.3Å; F152-I198 HydrophobicContact CD2-CD1 4.5Å; F152-I198 HydrophobicContact CG-CD1 3.98Å; K154-I198 HydrophobicContact CG-CG2 4.48Å; D156-I198 HydrophobicContact CB-CD1 4.32Å; D156-I198 PolarHBondContact O-N 2.96Å; I161-I198 HydrophobicContact CD1-CD1 3.74Å; I161-I198 HydrophobicContact CD1-CG1 3.55Å; I161-I198 HydrophobicContact CG1-CD1 4.2Å; I161-I198 HydrophobicContact CG1-CG1 4.4Å; I198-G202 PolarHBondContact O-N 3.02Å; I198-L203 HydrophobicContact CG1-CD1 4.27Å; I198-L203 HydrophobicContact CG2-CB 4.01Å; I198-L203 PolarHBondContact O-N 2.89Å
199	Q	78	Confident	80.9	Confident	46 Å²	46	55.4 Å²	55.4	22%	0.215	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-45.7	175.1	175.2	160.1	4.4	0	0	112.8	G121 K154 T197 A201 G202	G121-Q199 VanDerWaalsContact N-NE2 3.1Å; K154-Q199 HydrophobicContact CB-CB 4.32Å; K154-Q199 PolarHBondContact O-N 3.48Å; K154-Q199 VanDerWaalsContact O-N 3.12Å; T197-Q199 PolarHBondContact O-N 3.26Å; T197-Q199 PolarHBondContact OG1-N 3.25Å; Q199-A201 PolarHBondContact O-N 3.37Å; Q199-G202 PolarHBondContact O-N 3.15Å; Q199-G202 VanDerWaalsContact O-N 3.09Å
200	D	76.9	Confident	81.4	Confident	65 Å²	65	50.9 Å²	50.9	35%	0.348	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-26.4	-179.3	-64.5	-54.1	0	0	0	112.7	S196 T197 G202	S196-D200 WeakPolarHBondContact OG-CB 3.32Å; T197-D200 WeakPolarHBondContact CB-OD2 3.29Å; T197-D200 WeakPolarHBondContact CG2-OD2 3.28Å; T197-D200 PolarHBondContact N-OD2 2.83Å; T197-D200 PolarHBondContact O-N 2.78Å; T197-D200 VanDerWaalsContact O-N 3.14Å; T197-D200 WeakPolarHBondContact OG1-CB 3.42Å; T197-D200 PolarHBondContact OG1-N 2.83Å; T197-D200 PolarHBondContact OG1-OD2 3.2Å; D200-G202 VanDerWaalsContact C-N 3.33Å
201	A	77.3	Confident	81.7	Confident	26 Å²	26	48.3 Å²	48.3	22%	0.215	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-2.5	174.6	0	0	0	0	0	113.8	I158 L191 S196 T197 Q199 L203	I158-A201 HydrophobicContact CD1-CB 3.88Å; I158-A201 HydrophobicContact CG1-CB 4.32Å; L191-A201 HydrophobicContact CD2-CB 4.42Å; S196-A201 PolarHBondContact OG-N 2.82Å; T197-A201 VanDerWaalsContact O-CB 3.32Å; T197-A201 WeakPolarHBondContact O-CB 3.41Å; T197-A201 PolarHBondContact O-N 2.9Å; Q199-A201 PolarHBondContact O-N 3.37Å; A201-L203 VanDerWaalsContact C-N 3.3Å; A201-L203 HydrophobicContact CB-CD1 4.32Å; A201-L203 HydrophobicContact CB-CG 4.05Å; A201-L203 PolarHBondContact O-N 3.35Å
202	G	73.1	Confident	82	Confident	51 Å²	51	47.1 Å²	47.1	53%	0.526	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	23.6	179.8	0	0	0	0	0	114.6	I198 Q199 D200	I198-G202 PolarHBondContact O-N 3.02Å; Q199-G202 PolarHBondContact O-N 3.15Å; Q199-G202 VanDerWaalsContact O-N 3.09Å; D200-G202 VanDerWaalsContact C-N 3.33Å
203	L	79	Confident	82.4	Confident	15 Å²	15	43.1 Å²	43.1	8%	0.079	24%	0.24	C	C	.	.			trans	-78.6	143.3	-177.4	-65.1	178.3	0	0	0	112.1	L136 I158 I161 N181 L191 I198 A201 L209	L136-L203 HydrophobicContact CD1-CD1 4.44Å; I158-L203 HydrophobicContact CD1-CD1 3.75Å; I161-L203 HydrophobicContact CD1-CD1 4.16Å; N181-L203 HydrophobicContact CB-CD2 4.4Å; N181-L203 VanDerWaalsContact ND2-CD2 3.3Å; N181-L203 WeakPolarHBondContact ND2-CD2 3.43Å; L191-L203 HydrophobicContact CD1-CD1 4.23Å; L191-L203 HydrophobicContact CD1-CD2 4.46Å; I198-L203 HydrophobicContact CG1-CD1 4.27Å; I198-L203 HydrophobicContact CG2-CB 4.01Å; I198-L203 PolarHBondContact O-N 2.89Å; A201-L203 VanDerWaalsContact C-N 3.3Å; A201-L203 HydrophobicContact CB-CD1 4.32Å; A201-L203 HydrophobicContact CB-CG 4.05Å; A201-L203 PolarHBondContact O-N 3.35Å; L203-L209 HydrophobicContact CD1-CD1 4.24Å; L203-L209 HydrophobicContact CD1-CD2 4.49Å; L203-L209 HydrophobicContact CD2-CD2 4.02Å
204	Y	76.6	Confident	82.6	Confident	81 Å²	81	38.5 Å²	38.5	32%	0.318	22%	0.22	S	C	.	.			trans	-134.3	170	-173.1	65.3	-98.4	0	0	0	114.3	L136 Y183 G206 Q207 Y376	L136-Y204 WeakPolarHBondContact CD2-O 3.42Å; Y183-Y204 HydrophobicContact CD1-CE1 4.32Å; Y183-Y204 HydrophobicContact CE1-CE1 4.26Å; Y204-G206 PolarHBondContact O-N 3.15Å; Y204-Q207 VanDerWaalsContact CD1-OE1 3.31Å; Y204-Q207 HydrophobicContact CD2-CB 4.3Å; Y204-Q207 VanDerWaalsContact CE1-CD 3.5Å; Y204-Q207 HydrophobicContact CE1-CG 4.36Å; Y204-Q207 HydrophobicContact CE2-CB 4.26Å; Y204-Q207 WeakPolarHBondContact O-CB 3.37Å; Y204-Q207 PolarHBondContact O-N 2.78Å; Y204-Y376 HydrophobicContact CE1-CE2 4.42Å; Y204-Y376 WeakPolarHBondContact CE1-OH 3.47Å
205	Q	78.8	Confident	82.4	Confident	113 Å²	113	38.8 Å²	38.8	53%	0.528	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	128.7	-175	-167.9	73.2	-2.9	0	0	112.8	Q207	Q205-Q207 VanDerWaalsContact C-N 3.28Å; Q205-Q207 PolarHBondContact O-N 3.46Å
206	G	77.9	Confident	82	Confident	25 Å²	25	41.5 Å²	41.5	26%	0.258	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	3.6	176.9	0	0	0	0	0	115.3	E135 K137 Y204	E135-G206 PolarHBondContact O-N 3.47Å; K137-G206 WeakPolarHBondContact CD-O 3.37Å; Y204-G206 PolarHBondContact O-N 3.15Å
207	Q	84.3	Confident	81.3	Confident	5 Å²	5	44.8 Å²	44.8	2%	0.023	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	143.5	-175.8	-170.4	164	28	0	0	112.6	L136 K137 N181 Y204 Q205	L136-Q207 HydrophobicContact CD2-CB 4.08Å; K137-Q207 PolarHBondContact N-O 3.17Å; N181-Q207 PolarHBondContact ND2-NE2 3.36Å; N181-Q207 VanDerWaalsContact OD1-CD 3.24Å; N181-Q207 VanDerWaalsContact OD1-CG 3.25Å; N181-Q207 WeakPolarHBondContact OD1-CG 3.47Å; N181-Q207 PolarHBondContact OD1-NE2 2.79Å; Y204-Q207 VanDerWaalsContact CD1-OE1 3.31Å; Y204-Q207 HydrophobicContact CD2-CB 4.3Å; Y204-Q207 VanDerWaalsContact CE1-CD 3.5Å; Y204-Q207 HydrophobicContact CE1-CG 4.36Å; Y204-Q207 HydrophobicContact CE2-CB 4.26Å; Y204-Q207 WeakPolarHBondContact O-CB 3.37Å; Y204-Q207 PolarHBondContact O-N 2.78Å; Q205-Q207 VanDerWaalsContact C-N 3.28Å; Q205-Q207 PolarHBondContact O-N 3.46Å
208	V	87.1	Confident	80.5	Confident	35 Å²	35	44.6 Å²	44.6	21%	0.212	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	122.4	-173.9	-178.5	0	0	0	0	110.7	K137 K182 V210	K137-V208 HydrophobicContact CB-CG2 3.98Å; K137-V208 HydrophobicContact CD-CG2 4.4Å; K137-V208 CarbonylContact O-C 3.59Å; K137-V208 VanDerWaalsContact O-CA 3.28Å; K137-V208 WeakPolarHBondContact O-CA 3.29Å; K182-V208 HydrophobicContact CB-CB 4.2Å; K182-V208 HydrophobicContact CB-CG1 4.26Å; K182-V208 WeakPolarHBondContact CB-O 3.34Å; K182-V208 HydrophobicContact CD-CG1 4.13Å; K182-V208 PolarHBondContact N-O 3.01Å; V208-V210 HydrophobicContact CG1-CG2 4.07Å
209	L	89.8	Confident	80.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.8	173.3	-58.7	-173.4	0	0	0	110.3	L136 K137 L138 C139 I161 L179 W180 N181 L191 L203	L136-L209 HydrophobicContact CD1-CD1 3.94Å; K137-L209 PolarHBondContact O-N 2.9Å; L138-L209 WeakPolarHBondContact CA-O 3.38Å; L138-L209 HydrophobicContact CD2-CB 4.11Å; L138-L209 HydrophobicContact CD2-CD1 4.35Å; C139-L209 PolarHBondContact N-O 3.23Å; I161-L209 HydrophobicContact CD1-CD1 4.27Å; I161-L209 HydrophobicContact CG2-CD1 3.77Å; L179-L209 HydrophobicContact CD1-CB 4.11Å; L179-L209 HydrophobicContact CD2-CD1 4.41Å; W180-L209 CarbonylContact O-C 3.6Å; W180-L209 WeakPolarHBondContact O-CA 3.4Å; N181-L209 HydrophobicContact CB-CD2 3.97Å; L191-L209 HydrophobicContact CD1-CD1 4.44Å; L191-L209 HydrophobicContact CD1-CD2 3.82Å; L203-L209 HydrophobicContact CD1-CD1 4.24Å; L203-L209 HydrophobicContact CD1-CD2 4.49Å; L203-L209 HydrophobicContact CD2-CD2 4.02Å
210	V	88.1	Confident	80.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.7	-173.2	-167.7	0	0	0	0	110.1	C139 N141 M144 W180 K182 F188 V208	C139-V210 VanDerWaalsContact O-CA 3.31Å; C139-V210 WeakPolarHBondContact O-CA 3.47Å; N141-V210 HydrophobicContact CB-CG1 4.14Å; M144-V210 HydrophobicContact CG-CG1 4.5Å; W180-V210 HydrophobicContact CB-CB 4.46Å; W180-V210 WeakPolarHBondContact CB-O 3.43Å; W180-V210 PolarHBondContact N-O 3.07Å; W180-V210 PolarHBondContact O-N 2.96Å; K182-V210 HydrophobicContact CB-CG2 3.95Å; K182-V210 HydrophobicContact CD-CG2 4.13Å; F188-V210 HydrophobicContact CD1-CG2 4.44Å; F188-V210 HydrophobicContact CE1-CB 4.26Å; F188-V210 HydrophobicContact CE1-CG1 4.48Å; F188-V210 HydrophobicContact CE1-CG2 3.93Å; V208-V210 HydrophobicContact CG1-CG2 4.07Å
211	I	88.7	Confident	79.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.5	173.5	-164.2	156	0	0	0	110.7	C139 E140 N141 E162 I165 R166 I171 T177 R178 L179	C139-I211 PolarHBondContact O-N 3.23Å; E140-I211 HydrophobicContact CB-CG2 4.42Å; E140-I211 HydrophobicContact CG-CG2 4.37Å; N141-I211 WeakPolarHBondContact CB-O 3.11Å; N141-I211 PolarHBondContact N-O 2.82Å; E162-I211 HydrophobicContact CG-CD1 4.11Å; I165-I211 HydrophobicContact CB-CD1 4.26Å; I165-I211 HydrophobicContact CG2-CB 3.74Å; I165-I211 HydrophobicContact CG2-CD1 3.74Å; I165-I211 HydrophobicContact CG2-CG1 4.37Å; I165-I211 HydrophobicContact CG2-CG2 3.47Å; I165-I211 VanDerWaalsContact CG2-CG2 3.47Å; R166-I211 HydrophobicContact CG-CD1 4.19Å; I171-I211 HydrophobicContact CD1-CD1 4.01Å; I171-I211 HydrophobicContact CD1-CG1 4.28Å; I171-I211 HydrophobicContact CD1-CG2 3.82Å; T177-I211 HydrophobicContact CG2-CD1 4.14Å; T177-I211 HydrophobicContact CG2-CG1 4.23Å; R178-I211 WeakPolarHBondContact O-CA 3.32Å; L179-I211 HydrophobicContact CD1-CB 4.36Å
212	E	88.4	Confident	79.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.1	175.7	179.9	-173.2	-153	0	0	108.4	N141 T177 R178 W180 W220 P221 R222	N141-E212 HydrophobicContact CB-CB 4.4Å; T177-E212 CarbonylContact C-O 3.56Å; T177-E212 WeakPolarHBondContact CA-O 3.45Å; T177-E212 WeakPolarHBondContact CB-O 3.48Å; R178-E212 HydrophobicContact CB-CB 4.42Å; R178-E212 PolarHBondContact N-O 2.74Å; R178-E212 PolarHBondContact O-N 3.41Å; W180-E212 WeakPolarHBondContact CZ2-OE2 3.31Å; W180-E212 PolarHBondContact NE1-OE2 3.36Å; E212-W220 HydrophobicContact CG-CE3 4.09Å; E212-P221 HydrophobicContact CG-CB 4.34Å; E212-P221 HydrophobicContact CG-CG 4.05Å; E212-P221 VanDerWaalsContact OE1-CD 3.27Å; E212-P221 WeakPolarHBondContact OE1-CD 3.35Å; E212-R222 WeakPolarHBondContact OE1-CG 3.4Å; E212-R222 PolarHBondContact OE1-N 3.23Å
213	Q	87.8	Confident	78.3	Confident	37 Å²	37	48 Å²	48	17%	0.173	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	146.1	168.8	-58.4	-167.8	39.9	0	0	110.3	E140 I171 T177 P221	E140-Q213 PolarHBondContact OE1-NE2 2.82Å; I171-Q213 HydrophobicContact CD1-CG 4.07Å; I171-Q213 HydrophobicContact CG2-CG 4.11Å; T177-Q213 HydrophobicContact CG2-CG 4.46Å; Q213-P221 WeakPolarHBondContact O-CD 3.48Å
214	K	84.1	Confident	76.4	Confident	55 Å²	55	53 Å²	53	24%	0.239	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-73	139.4	167	-163.4	174.7	-175.1	173.2	0	110.5	E176 G218 T219 W220	E176-K214 HydrophobicContact CB-CB 4.02Å; E176-K214 HydrophobicContact CB-CD 3.77Å; E176-K214 HydrophobicContact CG-CD 4.24Å; E176-K214 WeakPolarHBondContact O-CB 3.22Å; E176-K214 PolarHBondContact O-N 3.31Å; E176-K214 IonicContact OE1-NZ 3.29Å; E176-K214 PolarHBondContact OE1-NZ 3.32Å; E176-K214 WeakPolarHBondContact OE2-CD 3.48Å; E176-K214 IonicContact OE2-NZ 2.71Å; E176-K214 PolarHBondContact OE2-NZ 3.33Å; K214-G218 VanDerWaalsContact CE-O 3.26Å; K214-G218 WeakPolarHBondContact CE-O 3.45Å; K214-T219 WeakPolarHBondContact CG-O 3.45Å; K214-W220 HydrophobicContact CB-CD2 4.41Å; K214-W220 HydrophobicContact CB-CE3 4.13Å; K214-W220 HydrophobicContact CB-CH2 3.81Å; K214-W220 HydrophobicContact CB-CZ2 4.08Å; K214-W220 HydrophobicContact CB-CZ3 3.82Å; K214-W220 HydrophobicContact CD-CH2 4.26Å; K214-W220 HydrophobicContact CD-CZ2 3.75Å; K214-W220 HydrophobicContact CG-CD2 4.18Å; K214-W220 HydrophobicContact CG-CE3 4.4Å; K214-W220 HydrophobicContact CG-CH2 4.26Å; K214-W220 HydrophobicContact CG-CZ2 4.01Å; K214-W220 HydrophobicContact CG-CZ3 4.44Å
215	N	79.9	Confident	74.4	Confident	69 Å²	69	54.8 Å²	54.8	37%	0.369	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-72.7	157.5	179.3	-68.4	-27.9	0	0	0	111.6	D217 G218 T219	N215-D217 WeakPolarHBondContact CB-OD1 3.16Å; N215-D217 PolarHBondContact O-N 3.42Å; N215-G218 VanDerWaalsContact O-CA 3.3Å; N215-G218 WeakPolarHBondContact O-CA 3.19Å; N215-G218 PolarHBondContact O-N 3.43Å; N215-T219 PolarHBondContact N-O 2.9Å; N215-T219 PolarHBondContact ND2-OG1 2.99Å
216	E	74.6	Confident	72.2	Confident	199 Å²	199	53.2 Å²	53.2	93%	0.93	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-31.2	175.8	-62.4	-174.1	171.7	0	0	112.7	G218	E216-G218 PolarHBondContact O-N 3.41Å; E216-G218 VanDerWaalsContact O-N 3.13Å
217	D	70.3	Confident	70.2	Confident	90 Å²	90	58.2 Å²	58.2	48%	0.481	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-0.2	170.7	81.3	-15.9	0	0	0	112.9	N215 T219 K228	N215-D217 WeakPolarHBondContact CB-OD1 3.16Å; N215-D217 PolarHBondContact O-N 3.42Å; D217-T219 VanDerWaalsContact C-N 3.29Å; D217-T219 VanDerWaalsContact CG-OG1 3.31Å; D217-T219 PolarHBondContact O-N 2.94Å; D217-T219 VanDerWaalsContact OD1-CB 3.31Å; D217-T219 WeakPolarHBondContact OD1-CB 3.36Å; D217-T219 WeakPolarHBondContact OD1-CG2 3.47Å; D217-T219 PolarHBondContact OD1-N 3.22Å; D217-T219 PolarHBondContact OD1-OG1 2.68Å; D217-T219 WeakPolarHBondContact OD2-CG2 3.5Å; D217-T219 PolarHBondContact OD2-OG1 3.36Å; D217-K228 WeakPolarHBondContact O-CE 3.21Å; D217-K228 PolarHBondContact O-NZ 2.76Å
218	G	67.3	Low	67.7	Low	24 Å²	24	65.2 Å²	65.2	25%	0.247	38%	0.376	C	S	.	.	S	Bend	trans	74.5	7.7	179.6	0	0	0	0	0	115.5	K214 N215 E216	K214-G218 VanDerWaalsContact CE-O 3.26Å; K214-G218 WeakPolarHBondContact CE-O 3.45Å; N215-G218 VanDerWaalsContact O-CA 3.3Å; N215-G218 WeakPolarHBondContact O-CA 3.19Å; N215-G218 PolarHBondContact O-N 3.43Å; E216-G218 PolarHBondContact O-N 3.41Å; E216-G218 VanDerWaalsContact O-N 3.13Å
219	T	76.3	Confident	64.9	Low	48 Å²	48	68.9 Å²	68.9	29%	0.294	40%	0.404	S	S	.	.			trans	-80.4	168	171.1	66.1	0	0	0	0	111.4	K214 N215 D217	K214-T219 WeakPolarHBondContact CG-O 3.45Å; N215-T219 PolarHBondContact N-O 2.9Å; N215-T219 PolarHBondContact ND2-OG1 2.99Å; D217-T219 VanDerWaalsContact C-N 3.29Å; D217-T219 VanDerWaalsContact CG-OG1 3.31Å; D217-T219 PolarHBondContact O-N 2.94Å; D217-T219 VanDerWaalsContact OD1-CB 3.31Å; D217-T219 WeakPolarHBondContact OD1-CB 3.36Å; D217-T219 WeakPolarHBondContact OD1-CG2 3.47Å; D217-T219 PolarHBondContact OD1-N 3.22Å; D217-T219 PolarHBondContact OD1-OG1 2.68Å; D217-T219 WeakPolarHBondContact OD2-CG2 3.5Å; D217-T219 PolarHBondContact OD2-OG1 3.36Å
220	W	78.5	Confident	62.1	Low	38 Å²	38	75.2 Å²	75.2	14%	0.144	45%	0.445	C	S	.	.			trans	-107.3	133.5	169.6	-69.1	97.3	0	0	0	108.5	E176 R178 E212 K214 R222 G223	E176-W220 HydrophobicContact CB-CH2 3.92Å; E176-W220 HydrophobicContact CB-CZ2 4.19Å; R178-W220 HydrophobicContact CB-CZ3 4.18Å; R178-W220 HydrophobicContact CG-CE3 4.21Å; R178-W220 HydrophobicContact CG-CH2 3.7Å; R178-W220 HydrophobicContact CG-CZ2 4.27Å; R178-W220 HydrophobicContact CG-CZ3 3.67Å; E212-W220 HydrophobicContact CG-CE3 4.09Å; K214-W220 HydrophobicContact CB-CD2 4.41Å; K214-W220 HydrophobicContact CB-CE3 4.13Å; K214-W220 HydrophobicContact CB-CH2 3.81Å; K214-W220 HydrophobicContact CB-CZ2 4.08Å; K214-W220 HydrophobicContact CB-CZ3 3.82Å; K214-W220 HydrophobicContact CD-CH2 4.26Å; K214-W220 HydrophobicContact CD-CZ2 3.75Å; K214-W220 HydrophobicContact CG-CD2 4.18Å; K214-W220 HydrophobicContact CG-CE3 4.4Å; K214-W220 HydrophobicContact CG-CH2 4.26Å; K214-W220 HydrophobicContact CG-CZ2 4.01Å; K214-W220 HydrophobicContact CG-CZ3 4.44Å; W220-R222 PolarHBondContact O-N 2.94Å; W220-R222 VanDerWaalsContact O-N 3.11Å; W220-G223 PolarHBondContact O-N 3.28Å
221	P	71	Confident	59.4	Low	60 Å²	60	78.9 Å²	78.9	39%	0.39	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-31.5	176	-31.7	35.7	0	0	0	116	N141 E212 Q213	N141-P221 WeakPolarHBondContact ND2-CB 3.11Å; E212-P221 HydrophobicContact CG-CB 4.34Å; E212-P221 HydrophobicContact CG-CG 4.05Å; E212-P221 VanDerWaalsContact OE1-CD 3.27Å; E212-P221 WeakPolarHBondContact OE1-CD 3.35Å; Q213-P221 WeakPolarHBondContact O-CD 3.48Å
222	R	65.9	Low	56.6	Low	80 Å²	80	83.4 Å²	83.4	30%	0.302	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	10	173.7	-54.4	-170.6	-148.4	-61.4	-7.1	114.6	N141 E212 W220	N141-R222 PolarHBondContact OD1-NH1 3.5Å; N141-R222 PolarHBondContact OD1-NH2 2.99Å; E212-R222 WeakPolarHBondContact OE1-CG 3.4Å; E212-R222 PolarHBondContact OE1-N 3.23Å; W220-R222 PolarHBondContact O-N 2.94Å; W220-R222 VanDerWaalsContact O-N 3.11Å
223	G	51.1	Low	53.8	Low	33 Å²	33	88.8 Å²	88.8	34%	0.34	56%	0.557	S	S	.	*	S	Bend	trans	-94.4	150.3	-175.6	0	0	0	0	0	113.9	W220 S225	W220-G223 PolarHBondContact O-N 3.28Å; G223-S225 PolarHBondContact O-N 3.39Å
224	P	37.3	Very low	51	Low	121 Å²	121	93.8 Å²	93.8	79%	0.786	59%	0.585	S	S	*	*			trans	-66	133.3	171.7	28.1	-34	0	0	0	111	A226	P224-A226 PolarHBondContact O-N 3.25Å
225	S	35.2	Very low	48.3	Very low	119 Å²	119	101 Å²	101	83%	0.832	62%	0.617	S	S	*	*			trans	-75.2	80.4	-176.7	46.9	0	0	0	0	113	G223	G223-S225 PolarHBondContact O-N 3.39Å
226	A	33.8	Very low	45.7	Very low	79 Å²	79	102.7 Å²	102.7	65%	0.653	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-86.6	128.9	169.1	0	0	0	0	0	111.1	P224	P224-A226 PolarHBondContact O-N 3.25Å
227	P	34	Very low	43.5	Very low	131 Å²	131	98.2 Å²	98.2	85%	0.851	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-70.3	134.2	-176.3	27.7	-34.4	0	0	0	112.4
228	K	32.3	Very low	41.4	Very low	152 Å²	152	102 Å²	102	66%	0.661	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-72.6	124.9	176.9	-79.1	-176.7	162.8	-176.2	0	112.5	D217	D217-K228 WeakPolarHBondContact O-CE 3.21Å; D217-K228 PolarHBondContact O-NZ 2.76Å
229	S	27.9	Very low	39.8	Very low	112 Å²	112	106.5 Å²	106.5	78%	0.783	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-82.2	133	149.3	53.6	0	0	0	0	109.7
230	P	32.8	Very low	37.3	Very low	133 Å²	133	113 Å²	113	86%	0.864	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-82.9	138.7	-169.3	31.5	-35.4	0	0	0	114
231	G	30.3	Very low	34.8	Very low	76 Å²	76	117.9 Å²	117.9	78%	0.784	73%	0.727	S	S	*	*			trans	178.5	106.8	171.9	0	0	0	0	0	116.6
232	A	29.8	Very low	32.5	Very low	95 Å²	95	120 Å²	120	79%	0.785	74%	0.743	S	S	*	*			trans	59.8	92.3	154.3	0	0	0	0	0	121
233	S	30.7	Very low	31.4	Very low	113 Å²	113	121.7 Å²	121.7	79%	0.79	76%	0.764	S	S	*	*				39.6	132.4	120.8	60.7	0	0	0	0	123
234	N	27.3	Very low	30.2	Very low	143 Å²	143	125.6 Å²	125.6	77%	0.765	79%	0.786	S	S	*	*			trans	-58.5	155.7	167.6	-47.9	-12.3	0	0	0	114.3
235	F	27.9	Very low	29.8	Very low	206 Å²	206	124.6 Å²	124.6	90%	0.904	78%	0.783	S	S	*	*				-176.8	169	108.1	-107.1	-73.4	0	0	0	112.9
236	S	26.2	Very low	29.3	Very low	105 Å²	105	126.9 Å²	126.9	73%	0.734	79%	0.785	S	S	*	*			trans	-112.6	145.5	-165.6	54.2	0	0	0	0	114.9
237	A	27	Very low	29	Very low	104 Å²	104	128.6 Å²	128.6	86%	0.86	79%	0.792	S	S	*	*			trans	-166.7	151.2	150.7	0	0	0	0	0	113.4
238	L	27.9	Very low	28.7	Very low	169 Å²	169	129.2 Å²	129.2	89%	0.885	79%	0.788	S	S	*	*			trans	-112.2	152.3	167.6	-88.5	163.4	0	0	0	109
239	P	32.2	Very low	28.4	Very low	119 Å²	119	127.8 Å²	127.8	77%	0.773	79%	0.787	S	S	*	*				-157.1	141	97.5	37.7	-17.2	0	0	0	119.4
240	K	24.8	Very low	28.4	Very low	185 Å²	185	131.7 Å²	131.7	80%	0.804	79%	0.786	S	S	*	*			trans	36.2	124.3	133.1	-72.2	-178	176.8	179.6	0	124.6
241	I	26.4	Very low	28.2	Very low	140 Å²	140	131.2 Å²	131.2	72%	0.718	78%	0.776	S	S	*	*				86.8	109.2	129.8	-62.4	168.4	0	0	0	121.5
242	S	22.3	Very low	28	Very low	105 Å²	105	134.1 Å²	134.1	73%	0.734	77%	0.774	S	S	*	*			trans	43.1	165.1	130	-48.1	0	0	0	0	124.3
243	P	41.5	Very low	27.9	Very low	115 Å²	115	135.9 Å²	135.9	75%	0.747	77%	0.769	S	S	*	*			cis	-138.4	174.8	-46.9	39.9	-24	0	0	0	115
244	S	27.6	Very low	27.7	Very low	115 Å²	115	137.8 Å²	137.8	80%	0.804	77%	0.77	S	S	*	*			trans	136	147.4	142.3	68.6	0	0	0	0	120.7
245	S	27.1	Very low	27.7	Very low	101 Å²	101	136.1 Å²	136.1	71%	0.706	77%	0.77	S	S	*	*			trans	54	106.8	153	56.7	0	0	0	0	125.8
246	L	26.1	Very low	27.7	Very low	167 Å²	167	137.1 Å²	137.1	87%	0.874	77%	0.768	S	S	*	*				43.2	120.2	122.4	-67.4	164	0	0	0	123.4
247	S	26.9	Very low	27.8	Very low	115 Å²	115	139.6 Å²	139.6	80%	0.804	77%	0.772	S	S	*	*				146.2	123	108.1	63.1	0	0	0	0	119
248	N	27	Very low	27.7	Very low	143 Å²	143	141.6 Å²	141.6	77%	0.765	77%	0.774	S	S	*	*			trans	24	131.4	149.2	-74.8	13.2	0	0	0	127.2
249	N	27.4	Very low	27.7	Very low	122 Å²	122	142.8 Å²	142.8	65%	0.652	77%	0.772	S	S	*	*				105	106.1	124.8	-74.4	1.2	0	0	0	124.5
250	Y	26.4	Very low	27.3	Very low	194 Å²	194	144.4 Å²	144.4	76%	0.761	77%	0.774	S	S	*	*			trans	74.7	119.4	130.5	-78	-66.3	0	0	0	125.9
251	N	28.8	Very low	27.4	Very low	123 Å²	123	139.7 Å²	139.7	66%	0.658	76%	0.764	S	S	*	*			trans	86.4	114	135.8	-74.9	-22.8	0	0	0	123.8
252	N	26.3	Very low	27.3	Very low	137 Å²	137	139 Å²	139	73%	0.733	76%	0.762	S	S	*	*			trans	66	141.6	139.3	-67.4	-19.2	0	0	0	119.8
253	I	28.1	Very low	27.5	Very low	133 Å²	133	143.8 Å²	143.8	68%	0.682	77%	0.765	S	S	*	*			cis	-154.6	152.7	4.3	-123.3	162.3	0	0	0	111.5
254	N	26.9	Very low	26.6	Very low	152 Å²	152	144.3 Å²	144.3	81%	0.813	77%	0.771	S	S	*	*			trans	58.3	115.2	162.3	-74.9	-14.6	0	0	0	123.1
255	S	26.6	Very low	27.1	Very low	108 Å²	108	146.8 Å²	146.8	76%	0.755	77%	0.774	S	S	*	*				118.5	135.5	121.2	-152.1	0	0	0	0	119.5
256	R	27.5	Very low	27	Very low	228 Å²	228	147.4 Å²	147.4	86%	0.86	78%	0.775	S	S	*	*			trans	76.4	119.1	167.9	-62.6	178.1	176.7	166.6	-0.6	119.8
257	N	28.1	Very low	27.2	Very low	156 Å²	156	144.5 Å²	144.5	83%	0.834	77%	0.769	S	S	*	*			trans	25.4	125.8	146.7	-56.8	0.1	0	0	0	121.2
258	V	26.6	Very low	27.1	Very low	146 Å²	146	149.6 Å²	149.6	89%	0.885	77%	0.772	S	S	*	*				-175.9	161.3	112.7	144.1	0	0	0	0	110.6
259	K	27.2	Very low	26.9	Very low	194 Å²	194	148.4 Å²	148.4	84%	0.843	77%	0.771	S	S	*	*			trans	-72.6	145.1	178.2	-50.7	174.3	-176.2	178.4	0	110.5
260	N	23.3	Very low	27.1	Very low	154 Å²	154	147 Å²	147	82%	0.824	78%	0.776	S	S	*	*				-172.7	178.8	74.1	-162.2	11.8	0	0	0	111.8
261	S	27.9	Very low	27.1	Very low	85 Å²	85	148 Å²	148	59%	0.594	78%	0.78	S	S	*	*			trans	-61	153.6	179.1	63.9	0	0	0	0	114.4
262	N	23.4	Very low	26.9	Very low	125 Å²	125	151.2 Å²	151.2	67%	0.668	79%	0.788	S	S	*	*				-164.3	168	70.1	-115.2	-11.6	0	0	0	115
263	Y	26.2	Very low	26.8	Very low	206 Å²	206	151.7 Å²	151.7	81%	0.808	79%	0.79	S	S	*	*			trans	62.6	80.2	168.1	-56.3	-60.4	0	0	0	119.2
264	C	23.3	Very low	26.9	Very low	127 Å²	127	155.3 Å²	155.3	86%	0.858	80%	0.797	S	S	*	*				-138.5	150.1	124.7	-97.6	0	0	0	0	109.4	P266	C264-P266 VanDerWaalsContact O-CD 3.25Å; C264-P266 WeakPolarHBondContact O-CD 3.26Å
265	L	38.7	Very low	26.8	Very low	167 Å²	167	155.7 Å²	155.7	87%	0.874	80%	0.799	S	S	*	*			trans	-66.5	115.5	-172.5	-171.3	73.8	0	0	0	110.7	S267	L265-S267 PolarHBondContact O-N 3.46Å
266	P	24.6	Very low	27.1	Very low	113 Å²	113	161 Å²	161	73%	0.734	80%	0.804	S	S	*	*			trans	-69.7	117.7	170.1	-13.5	30.3	0	0	0	108.1	C264	C264-P266 VanDerWaalsContact O-CD 3.25Å; C264-P266 WeakPolarHBondContact O-CD 3.26Å
267	S	29.1	Very low	27.2	Very low	107 Å²	107	155.5 Å²	155.5	75%	0.748	80%	0.8	S	S	*	*			trans	-48.9	141.9	168.3	-175.4	0	0	0	0	109.9	L265 T269	L265-S267 PolarHBondContact O-N 3.46Å; S267-T269 PolarHBondContact O-N 2.86Å
268	Y	25.8	Very low	27.4	Very low	221 Å²	221	154 Å²	154	87%	0.867	79%	0.788	S	S	*	*			trans	-52.1	106.5	179.2	-104.1	-95.5	0	0	0	109.7	A270	Y268-A270 PolarHBondContact O-N 3.45Å
269	T	23.3	Very low	27.8	Very low	119 Å²	119	153.7 Å²	153.7	73%	0.73	79%	0.789	S	S	*	*			trans	-67.1	110.3	173.1	47.5	0	0	0	0	107.2	S267 Y271	S267-T269 PolarHBondContact O-N 2.86Å; T269-Y271 PolarHBondContact O-N 2.96Å; T269-Y271 VanDerWaalsContact O-N 3.13Å
270	A	30.3	Very low	28.2	Very low	92 Å²	92	147 Å²	147	76%	0.76	78%	0.776	S	S	*	*			trans	-47.1	122.2	179.5	0	0	0	0	0	110	Y268 K272	Y268-A270 PolarHBondContact O-N 3.45Å; A270-K272 PolarHBondContact O-N 3.33Å
271	Y	26.9	Very low	29.2	Very low	215 Å²	215	149.5 Å²	149.5	84%	0.843	77%	0.774	S	S	*	*			trans	-59.9	115.6	175.4	-98	-95.4	0	0	0	107.9	T269 N273	T269-Y271 PolarHBondContact O-N 2.96Å; T269-Y271 VanDerWaalsContact O-N 3.13Å; Y271-N273 PolarHBondContact O-N 2.96Å
272	K	24.2	Very low	30	Very low	190 Å²	190	151.6 Å²	151.6	83%	0.826	78%	0.778	S	S	*	*			trans	-64.1	108.2	166.3	-75.5	-170.4	173.4	-170.6	0	107.2	A270 Y274	A270-K272 PolarHBondContact O-N 3.33Å; K272-Y274 PolarHBondContact O-N 2.89Å
273	N	25.8	Very low	31.9	Very low	148 Å²	148	152.3 Å²	152.3	79%	0.791	78%	0.782	S	S	*	*			trans	-52.9	139.5	156.5	-83.2	-16.3	0	0	0	108.1	Y271 D275	Y271-N273 PolarHBondContact O-N 2.96Å; N273-D275 PolarHBondContact O-N 3.37Å; N273-D275 VanDerWaalsContact O-N 3.13Å
274	Y	29.3	Very low	34.6	Very low	208 Å²	208	145.7 Å²	145.7	82%	0.816	76%	0.759	S	S	*	*			trans	-71.2	104.5	166.2	-80.6	-96.9	0	0	0	107.3	K272 Y276	K272-Y274 PolarHBondContact O-N 2.89Å; Y274-Y276 PolarHBondContact O-N 3.4Å
275	D	25.7	Very low	37.7	Very low	161 Å²	161	142.7 Å²	142.7	86%	0.861	73%	0.732	S	S	*	*			trans	-58.8	102.3	164.1	-90.1	-34.9	0	0	0	108	N273 S277	N273-D275 PolarHBondContact O-N 3.37Å; N273-D275 VanDerWaalsContact O-N 3.13Å; D275-S277 PolarHBondContact O-N 2.93Å
276	Y	31.7	Very low	40.5	Very low	219 Å²	219	136.9 Å²	136.9	86%	0.859	71%	0.705	S	S	*	*			trans	-72.6	104.5	158.4	-103.3	-89.3	0	0	0	107	Y274 E278	Y274-Y276 PolarHBondContact O-N 3.4Å; Y276-E278 PolarHBondContact O-N 3.08Å; Y276-E278 VanDerWaalsContact O-N 3.14Å
277	S	30.4	Very low	43.7	Very low	112 Å²	112	131.5 Å²	131.5	78%	0.783	67%	0.67	S	S	*	*			trans	-59.3	115	173.4	53.4	0	0	0	0	110.1	D275	D275-S277 PolarHBondContact O-N 2.93Å
278	E	32.2	Very low	46.9	Very low	124 Å²	124	127.3 Å²	127.3	58%	0.579	64%	0.638	S	S	*	*			trans	-56.4	152.9	-174.6	-64.3	-178.6	159.2	0	0	114.8	Y276 R281	Y276-E278 PolarHBondContact O-N 3.08Å; Y276-E278 VanDerWaalsContact O-N 3.14Å; E278-R281 WeakPolarHBondContact OE2-CG 3.46Å; E278-R281 PolarHBondContact OE2-N 3.27Å
279	P	33.9	Very low	50.3	Low	140 Å²	140	116.8 Å²	116.8	91%	0.909	60%	0.598	S	S	*	*	S	Bend	trans	-108.2	76.7	142.8	36.6	-27	0	0	0	111.3
280	G	35.6	Very low	53.7	Low	55 Å²	55	111.1 Å²	111.1	57%	0.567	56%	0.563	S	S	*	*			trans	131.3	101.4	163.6	0	0	0	0	0	116.3	N282	G280-N282 PolarHBondContact O-N 3.4Å
281	R	44.4	Very low	56.8	Low	206 Å²	206	106.8 Å²	106.8	78%	0.777	53%	0.527	S	S	*	.			trans	-65.9	97.5	169.7	-78.6	-178	170.2	-179.6	-4.9	112	E278	E278-R281 WeakPolarHBondContact OE2-CG 3.46Å; E278-R281 PolarHBondContact OE2-N 3.27Å
282	N	45.8	Very low	59.9	Low	128 Å²	128	97.3 Å²	97.3	68%	0.684	49%	0.492	S	S	*	.			trans	-101.4	99	149.6	-73.6	-10.2	0	0	0	107.4	G280 E284	G280-N282 PolarHBondContact O-N 3.4Å; N282-E284 PolarHBondContact O-N 3.16Å; N282-E284 VanDerWaalsContact O-N 3.16Å
283	N	63.3	Low	62.9	Low	140 Å²	140	91.1 Å²	91.1	75%	0.749	47%	0.468	S	S	*	.			trans	-68.7	108.7	166.4	-74.8	14.8	0	0	0	107.1
284	E	81.6	Confident	65.6	Low	68 Å²	68	85.6 Å²	85.6	32%	0.318	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-85.9	158.2	176.1	-58.6	-149.4	176	0	0	110.9	N282 G352 S355	N282-E284 PolarHBondContact O-N 3.16Å; N282-E284 VanDerWaalsContact O-N 3.16Å; E284-G352 PolarHBondContact N-O 3.24Å; E284-G352 VanDerWaalsContact N-O 3.09Å; E284-G352 CarbonylContact O-C 3.57Å; E284-G352 WeakPolarHBondContact O-CA 3.38Å; E284-S355 VanDerWaalsContact CD-CB 3.44Å; E284-S355 WeakPolarHBondContact OE1-CB 3.48Å; E284-S355 WeakPolarHBondContact OE2-CA 3.45Å; E284-S355 WeakPolarHBondContact OE2-CB 3.18Å
285	Q	90.1	Very high	67.8	Low	63 Å²	63	77.3 Å²	77.3	29%	0.294	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-73	132.3	-176.5	179.4	175.7	-37.8	0	0	110	G287 L288 N898 D901	Q285-G287 PolarHBondContact O-N 3.28Å; Q285-L288 HydrophobicContact CB-CB 4.48Å; Q285-L288 HydrophobicContact CB-CD1 3.78Å; Q285-L288 HydrophobicContact CB-CG 3.94Å; Q285-L288 HydrophobicContact CG-CD1 4.19Å; Q285-L288 HydrophobicContact CG-CG 4.19Å; Q285-L288 WeakPolarHBondContact O-CB 3.29Å; Q285-L288 PolarHBondContact O-N 3.39Å; Q285-N898 PolarHBondContact NE2-OD1 3.18Å; Q285-D901 PolarHBondContact NE2-OD2 3.17Å
286	P	95.5	Very high	70.6	Confident	46 Å²	46	72.7 Å²	72.7	30%	0.299	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	133.3	176.8	-31.3	37.7	0	0	0	113.1	L288 W350 N898	P286-L288 VanDerWaalsContact C-N 3.26Å; P286-L288 PolarHBondContact O-N 3.07Å; P286-W350 HydrophobicContact CB-CE3 3.71Å; P286-W350 HydrophobicContact CB-CZ3 4.31Å; P286-W350 WeakPolarHBondContact O-CZ3 3.46Å; P286-N898 PolarHBondContact O-ND2 3.35Å
287	G	92.4	Very high	73.4	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	-17.2	-177.8	0	0	0	0	0	114.7	Q285 C289 M349	Q285-G287 PolarHBondContact O-N 3.28Å; G287-C289 PolarHBondContact O-N 2.94Å; G287-M349 PolarHBondContact N-O 2.77Å; G287-M349 VanDerWaalsContact N-O 3.13Å
288	L	96.4	Very high	76.5	Confident	18 Å²	18	57.1 Å²	57.1	9%	0.094	31%	0.314	C	S	.	.			trans	-83.8	60.4	172.1	-54.3	-165.6	0	0	0	110.6	Q285 P286 N898 Y905 F907 V912	Q285-L288 HydrophobicContact CB-CB 4.48Å; Q285-L288 HydrophobicContact CB-CD1 3.78Å; Q285-L288 HydrophobicContact CB-CG 3.94Å; Q285-L288 HydrophobicContact CG-CD1 4.19Å; Q285-L288 HydrophobicContact CG-CG 4.19Å; Q285-L288 WeakPolarHBondContact O-CB 3.29Å; Q285-L288 PolarHBondContact O-N 3.39Å; P286-L288 VanDerWaalsContact C-N 3.26Å; P286-L288 PolarHBondContact O-N 3.07Å; L288-N898 HydrophobicContact CD2-CB 4.05Å; L288-Y905 HydrophobicContact CD1-CD1 4.07Å; L288-Y905 HydrophobicContact CD1-CE1 3.47Å; L288-Y905 VanDerWaalsContact CD1-CE1 3.47Å; L288-Y905 HydrophobicContact CD1-CE2 4.12Å; L288-Y905 HydrophobicContact CD2-CD1 3.83Å; L288-Y905 HydrophobicContact CD2-CD2 3.51Å; L288-Y905 HydrophobicContact CD2-CE1 3.96Å; L288-Y905 HydrophobicContact CD2-CE2 3.65Å; L288-Y905 HydrophobicContact CD2-CG 3.61Å; L288-Y905 HydrophobicContact CG-CE1 4.39Å; L288-F907 HydrophobicContact CD2-CZ 4.37Å; L288-V912 HydrophobicContact CB-CG1 4.34Å
289	C	96.9	Very high	79.4	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.007	29%	0.287	C	S	.	.			trans	-127.8	117.6	-174.8	-169.9	0	0	0	0	110.9	G287 Q305 M349 F354 S355	G287-C289 PolarHBondContact O-N 2.94Å; C289-Q305 PolarHBondContact O-NE2 2.84Å; C289-M349 HydrophobicContact CB-CB 3.91Å; C289-M349 HydrophobicContact CB-CG 4.18Å; C289-M349 WeakPolarHBondContact CB-O 3.44Å; C289-F354 PolarHBondContact SG-O 2.73Å; C289-S355 CarbonylContact C-O 3.47Å; C289-S355 WeakPolarHBondContact CA-O 3.42Å
290	G	94.9	Very high	82.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	169.4	175.5	0	0	0	0	0	113.8	S355 Y356 V357 D909	G290-S355 PolarHBondContact N-O 2.73Å; G290-Y356 CarbonylContact O-C 3.56Å; G290-Y356 WeakPolarHBondContact O-CA 3.34Å; G290-Y356 WeakPolarHBondContact O-CB 3.5Å; G290-V357 PolarHBondContact O-N 3.47Å; G290-D909 CarbonylContact C-O 3.57Å; G290-D909 WeakPolarHBondContact CA-O 3.48Å
291	L	95.8	Very high	85.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	112.8	179.5	-66.3	173.9	0	0	0	110.5	N293 N301 I304 Q305 L345 M349 V357 P359 D909 S910	L291-N293 PolarHBondContact O-N 3.02Å; L291-N301 HydrophobicContact CB-CB 3.92Å; L291-N301 WeakPolarHBondContact CB-OD1 3.43Å; L291-N301 HydrophobicContact CD1-CB 4.22Å; L291-N301 PolarHBondContact O-ND2 3.39Å; L291-I304 HydrophobicContact CD1-CB 3.7Å; L291-I304 HydrophobicContact CD1-CD1 4.05Å; L291-I304 HydrophobicContact CD1-CG2 3.64Å; L291-Q305 HydrophobicContact CD1-CG 4.38Å; L291-L345 HydrophobicContact CD2-CD1 4.06Å; L291-M349 HydrophobicContact CD1-CE 4Å; L291-M349 HydrophobicContact CD1-SD 4.41Å; L291-M349 HydrophobicContact CD2-CE 4.13Å; L291-M349 HydrophobicContact CD2-CG 4.4Å; L291-M349 HydrophobicContact CD2-SD 3.96Å; L291-M349 HydrophobicContact CG-CE 4.04Å; L291-M349 HydrophobicContact CG-SD 4.48Å; L291-V357 WeakPolarHBondContact CA-O 3.41Å; L291-V357 HydrophobicContact CD2-CG2 3.68Å; L291-P359 HydrophobicContact CB-CG 4.45Å; L291-P359 HydrophobicContact CD2-CB 4.38Å; L291-P359 HydrophobicContact CD2-CG 4.27Å; L291-D909 PolarHBondContact N-O 3.26Å; L291-D909 CarbonylContact O-C 3.6Å; L291-D909 VanDerWaalsContact O-CA 3.22Å; L291-D909 WeakPolarHBondContact O-CA 3.44Å; L291-D909 WeakPolarHBondContact O-CB 3.46Å; L291-S910 PolarHBondContact O-N 3.15Å
292	S	92.7	Very high	87.9	Confident	17 Å²	17	32.7 Å²	32.7	12%	0.119	18%	0.182	C	C	.	.			trans	-56.6	133.3	179.9	-48.4	0	0	0	0	112	N301 Y356 V357 T358	S292-N301 PolarHBondContact O-ND2 2.98Å; S292-Y356 WeakPolarHBondContact OG-CD2 3.49Å; S292-V357 PolarHBondContact N-O 2.91Å; S292-V357 PolarHBondContact OG-O 3.45Å; S292-T358 PolarHBondContact OG-OG1 2.77Å
293	N	86.9	Confident	90.4	Very high	60 Å²	60	26.6 Å²	26.6	32%	0.321	15%	0.15	S	C	.	.			trans	-65.1	137.5	169.6	-156.5	-47.7	0	0	0	110.4	L291 G295 N296 T297 D909	L291-N293 PolarHBondContact O-N 3.02Å; N293-G295 WeakPolarHBondContact OD1-CA 3.49Å; N293-G295 PolarHBondContact OD1-N 3.23Å; N293-N296 PolarHBondContact OD1-N 2.87Å; N293-N296 VanDerWaalsContact OD1-N 3.13Å; N293-T297 PolarHBondContact OD1-N 3.02Å; N293-T297 PolarHBondContact OD1-OG1 3.06Å; N293-D909 HydrophobicContact CB-CB 4.3Å; N293-D909 WeakPolarHBondContact CB-OD2 3.38Å; N293-D909 PolarHBondContact ND2-OD2 2.84Å
294	L	81.6	Confident	92.1	Very high	32 Å²	32	20 Å²	20	17%	0.168	11%	0.114	C	C	.	.	S	Bend	trans	-109.4	16.1	178.7	-69.8	173.5	0	0	0	112.7	T297 T358 P359 R360 K363 Y376	L294-T297 HydrophobicContact CB-CG2 3.77Å; L294-T297 PolarHBondContact N-OG1 2.86Å; L294-T358 HydrophobicContact CD2-CG2 3.7Å; L294-T358 HydrophobicContact CG-CG2 4.46Å; L294-P359 HydrophobicContact CD1-CG 4.49Å; L294-R360 HydrophobicContact CD1-CG 4.17Å; L294-R360 HydrophobicContact CD2-CG 4.05Å; L294-K363 HydrophobicContact CD1-CB 3.94Å; L294-K363 HydrophobicContact CD1-CG 4.13Å; L294-Y376 VanDerWaalsContact O-CE1 3.31Å; L294-Y376 WeakPolarHBondContact O-CE1 3.46Å
295	G	75.7	Confident	92.9	Very high	33 Å²	33	16.9 Å²	16.9	34%	0.34	10%	0.1	S	C	.	.	S	Bend	trans	101.2	98.9	-175	0	0	0	0	0	110.6	N293 T297	N293-G295 WeakPolarHBondContact OD1-CA 3.49Å; N293-G295 PolarHBondContact OD1-N 3.23Å; G295-T297 WeakPolarHBondContact O-CG2 3.45Å; G295-T297 PolarHBondContact O-N 3.13Å
296	N	84.9	Confident	93.3	Very high	65 Å²	65	13.9 Å²	13.9	35%	0.348	9%	0.086	S	C	.	.	S	Bend	trans	54.7	28	-174.6	-74.3	-44.7	0	0	0	114.6	N293 F299 Y376 Q378	N293-N296 PolarHBondContact OD1-N 2.87Å; N293-N296 VanDerWaalsContact OD1-N 3.13Å; N296-F299 WeakPolarHBondContact O-CD1 3.43Å; N296-F299 VanDerWaalsContact O-CE1 3.3Å; N296-F299 WeakPolarHBondContact O-CE1 3.22Å; N296-Y376 WeakPolarHBondContact CB-O 3.43Å; N296-Y376 PolarHBondContact ND2-O 3.22Å; N296-Q378 HydrophobicContact CB-CG 3.95Å; N296-Q378 WeakPolarHBondContact OD1-CG 3.35Å; N296-Q378 PolarHBondContact OD1-NE2 3.48Å
297	T	91.1	Very high	93.4	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.006	7%	0.071	C	C	.	.			trans	-96.7	11.5	-178.8	70	0	0	0	0	114.8	N293 L294 G295 F299 M300 N301 K363	N293-T297 PolarHBondContact OD1-N 3.02Å; N293-T297 PolarHBondContact OD1-OG1 3.06Å; L294-T297 HydrophobicContact CB-CG2 3.77Å; L294-T297 PolarHBondContact N-OG1 2.86Å; G295-T297 WeakPolarHBondContact O-CG2 3.45Å; G295-T297 PolarHBondContact O-N 3.13Å; T297-F299 PolarHBondContact O-N 3.47Å; T297-M300 WeakPolarHBondContact O-CA 3.33Å; T297-M300 VanDerWaalsContact O-CB 3.3Å; T297-M300 WeakPolarHBondContact O-CB 3.46Å; T297-M300 PolarHBondContact O-N 2.97Å; T297-N301 PolarHBondContact O-N 3.46Å; T297-N301 VanDerWaalsContact O-N 3.08Å; T297-K363 HydrophobicContact CG2-CD 4.18Å; T297-K363 VanDerWaalsContact CG2-CE 3.42Å
298	C	94.1	Very high	93.7	Very high	3 Å²	3	11.7 Å²	11.7	2%	0.02	7%	0.071	C	C	.	.	H	α-helix	trans	-58.9	-32.3	179.1	52.5	0	0	0	0	113	M300 N301 S302 H891 Y892 D909	C298-M300 PolarHBondContact O-N 3.16Å; C298-N301 PolarHBondContact O-N 3.04Å; C298-S302 WeakPolarHBondContact O-CB 3.47Å; C298-S302 PolarHBondContact O-N 2.97Å; C298-H891 VanDerWaalsContact CB-CE1 3.45Å; C298-H891 WeakPolarHBondContact CB-CE1 3.17Å; C298-H891 WeakPolarHBondContact CB-ND1 3.36Å; C298-H891 PolarHBondContact SG-ND1 3.44Å; C298-Y892 WeakPolarHBondContact CB-O 3.24Å; C298-D909 WeakPolarHBondContact CA-OD1 3.33Å; C298-D909 WeakPolarHBondContact CB-OD1 3.2Å
299	F	94.8	Very high	93.8	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.018	7%	0.068	C	C	.	.	H	α-helix	trans	-57.3	-36.9	171.7	76	-85.9	0	0	0	112.5	N296 T297 A303 F373 Q379 C381 L384 Y892	N296-F299 WeakPolarHBondContact O-CD1 3.43Å; N296-F299 VanDerWaalsContact O-CE1 3.3Å; N296-F299 WeakPolarHBondContact O-CE1 3.22Å; T297-F299 PolarHBondContact O-N 3.47Å; F299-A303 WeakPolarHBondContact O-CB 3.36Å; F299-A303 PolarHBondContact O-N 2.86Å; F299-F373 AromaticContact CE2-CD1 3.85Å; F299-F373 HydrophobicContact CE2-CD1 3.85Å; F299-F373 HydrophobicContact CE2-CE1 4.4Å; F299-F373 HydrophobicContact CE2-CG 4.45Å; F299-F373 HydrophobicContact CZ-CB 4.49Å; F299-F373 HydrophobicContact CZ-CD1 4.2Å; F299-Q379 HydrophobicContact CD1-CB 4.07Å; F299-Q379 HydrophobicContact CD2-CB 3.96Å; F299-Q379 HydrophobicContact CE1-CB 3.9Å; F299-Q379 HydrophobicContact CE1-CG 4.08Å; F299-Q379 HydrophobicContact CE2-CB 3.79Å; F299-Q379 HydrophobicContact CE2-CG 4.38Å; F299-Q379 HydrophobicContact CG-CB 4.11Å; F299-Q379 HydrophobicContact CZ-CB 3.76Å; F299-Q379 HydrophobicContact CZ-CG 3.92Å; F299-C381 HydrophobicContact CB-CB 4.28Å; F299-C381 PolarHBondContact O-SG 3.09Å; F299-L384 HydrophobicContact CD2-CB 4.1Å; F299-L384 HydrophobicContact CD2-CD2 3.87Å; F299-L384 HydrophobicContact CE2-CB 4.11Å; F299-L384 HydrophobicContact CE2-CD1 4.49Å; F299-L384 HydrophobicContact CE2-CD2 3.82Å; F299-L384 HydrophobicContact CE2-CG 4.36Å; F299-Y892 HydrophobicContact CB-CD2 3.49Å; F299-Y892 VanDerWaalsContact CB-CD2 3.49Å; F299-Y892 HydrophobicContact CB-CE2 3.59Å; F299-Y892 HydrophobicContact CB-CG 4.08Å
300	M	96.1	Very high	93.8	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-75.4	-41.5	177	-174.5	-166.1	72.9	0	0	111.3	T297 C298 A303 I304 P359 F362 K363 L384	T297-M300 WeakPolarHBondContact O-CA 3.33Å; T297-M300 VanDerWaalsContact O-CB 3.3Å; T297-M300 WeakPolarHBondContact O-CB 3.46Å; T297-M300 PolarHBondContact O-N 2.97Å; C298-M300 PolarHBondContact O-N 3.16Å; M300-A303 PolarHBondContact O-N 3.08Å; M300-I304 HydrophobicContact CE-CD1 4.19Å; M300-I304 HydrophobicContact CG-CD1 3.78Å; M300-I304 WeakPolarHBondContact O-CD1 3.1Å; M300-I304 WeakPolarHBondContact O-CG1 3.49Å; M300-I304 PolarHBondContact O-N 2.77Å; M300-I304 HydrophobicContact SD-CD1 4.4Å; M300-P359 HydrophobicContact CE-CB 4.18Å; M300-P359 HydrophobicContact CE-CG 3.63Å; M300-F362 HydrophobicContact SD-CD1 4.17Å; M300-K363 HydrophobicContact CE-CB 4.21Å; M300-K363 HydrophobicContact CE-CD 4.44Å; M300-K363 HydrophobicContact SD-CB 4.08Å; M300-K363 HydrophobicContact SD-CD 3.81Å; M300-L384 HydrophobicContact CB-CD2 3.67Å; M300-L384 HydrophobicContact CG-CD2 3.7Å
301	N	97.6	Very high	93.9	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.021	7%	0.074	C	C	.	.	H	α-helix	trans	-64	-46.7	178.7	-64.9	-18.8	0	0	0	110.9	L291 S292 T297 C298 A303 I304 Q305 D909	L291-N301 HydrophobicContact CB-CB 3.92Å; L291-N301 WeakPolarHBondContact CB-OD1 3.43Å; L291-N301 HydrophobicContact CD1-CB 4.22Å; L291-N301 PolarHBondContact O-ND2 3.39Å; S292-N301 PolarHBondContact O-ND2 2.98Å; T297-N301 PolarHBondContact O-N 3.46Å; T297-N301 VanDerWaalsContact O-N 3.08Å; C298-N301 PolarHBondContact O-N 3.04Å; N301-A303 PolarHBondContact O-N 2.8Å; N301-I304 PolarHBondContact O-N 2.71Å; N301-Q305 WeakPolarHBondContact O-CG 3.4Å; N301-Q305 PolarHBondContact O-N 3.04Å; N301-D909 PolarHBondContact ND2-OD1 3.25Å
302	S	98.1	Very high	93.8	Very high	3 Å²	3	13 Å²	13	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-58	-45.3	174.3	-179.3	0	0	0	0	113	C298 I304 Q305 C306 S881 T893	C298-S302 WeakPolarHBondContact O-CB 3.47Å; C298-S302 PolarHBondContact O-N 2.97Å; S302-I304 PolarHBondContact O-N 2.68Å; S302-Q305 PolarHBondContact O-N 2.85Å; S302-C306 PolarHBondContact O-N 3.04Å; S302-C306 PolarHBondContact O-SG 3.36Å; S302-S881 WeakPolarHBondContact OG-CB 3.5Å; S302-S881 PolarHBondContact OG-OG 3.35Å; S302-T893 WeakPolarHBondContact CB-O 3.47Å; S302-T893 PolarHBondContact OG-O 3.05Å
303	A	98	Very high	94.1	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.6	-46.5	175.7	0	0	0	0	0	112.5	F299 M300 N301 C306 L307 L384 L385	F299-A303 WeakPolarHBondContact O-CB 3.36Å; F299-A303 PolarHBondContact O-N 2.86Å; M300-A303 PolarHBondContact O-N 3.08Å; N301-A303 PolarHBondContact O-N 2.8Å; A303-C306 PolarHBondContact O-N 3.39Å; A303-L307 PolarHBondContact O-N 2.63Å; A303-L384 HydrophobicContact CB-CD2 3.94Å; A303-L385 HydrophobicContact CB-CD2 3.71Å; A303-L385 HydrophobicContact CB-CG 3.81Å
304	I	98.5	Very high	94.6	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.3	-41	179.1	-64.1	159.2	0	0	0	110.7	L291 M300 N301 S302 C306 L307 S308 L345 M349 F362	L291-I304 HydrophobicContact CD1-CB 3.7Å; L291-I304 HydrophobicContact CD1-CD1 4.05Å; L291-I304 HydrophobicContact CD1-CG2 3.64Å; M300-I304 HydrophobicContact CE-CD1 4.19Å; M300-I304 HydrophobicContact CG-CD1 3.78Å; M300-I304 WeakPolarHBondContact O-CD1 3.1Å; M300-I304 WeakPolarHBondContact O-CG1 3.49Å; M300-I304 PolarHBondContact O-N 2.77Å; M300-I304 HydrophobicContact SD-CD1 4.4Å; N301-I304 PolarHBondContact O-N 2.71Å; S302-I304 PolarHBondContact O-N 2.68Å; I304-C306 VanDerWaalsContact C-N 3.31Å; I304-C306 PolarHBondContact O-N 2.97Å; I304-L307 PolarHBondContact O-N 2.88Å; I304-S308 WeakPolarHBondContact O-CB 3.48Å; I304-S308 PolarHBondContact O-N 3.15Å; I304-L345 HydrophobicContact CD1-CD2 3.94Å; I304-L345 HydrophobicContact CG2-CD2 4.04Å; I304-M349 HydrophobicContact CG2-CE 4.3Å; I304-M349 HydrophobicContact CG2-SD 3.93Å; I304-F362 HydrophobicContact CD1-CD1 3.73Å; I304-F362 HydrophobicContact CD1-CE1 3.67Å; I304-F362 HydrophobicContact CG1-CD1 4.45Å; I304-F362 HydrophobicContact CG1-CE1 3.92Å
305	Q	98.5	Very high	95.2	Very high	3 Å²	3	11.6 Å²	11.6	1%	0.014	7%	0.07	C	C	.	.	H	α-helix	trans	-62.8	-37	179.3	-67.5	-64.6	8.5	0	0	112.7	C289 L291 N301 S302 N309 A894 F907	C289-Q305 PolarHBondContact O-NE2 2.84Å; L291-Q305 HydrophobicContact CD1-CG 4.38Å; N301-Q305 WeakPolarHBondContact O-CG 3.4Å; N301-Q305 PolarHBondContact O-N 3.04Å; S302-Q305 PolarHBondContact O-N 2.85Å; Q305-N309 PolarHBondContact O-N 3.47Å; Q305-N309 VanDerWaalsContact O-N 3.14Å; Q305-N309 PolarHBondContact O-ND2 2.87Å; Q305-A894 HydrophobicContact CB-CB 3.83Å; Q305-F907 HydrophobicContact CB-CB 4.45Å; Q305-F907 HydrophobicContact CB-CG 4.45Å; Q305-F907 VanDerWaalsContact CD-CD1 3.42Å; Q305-F907 HydrophobicContact CG-CB 3.83Å; Q305-F907 HydrophobicContact CG-CD1 4.15Å; Q305-F907 HydrophobicContact CG-CG 4.03Å
306	C	98.6	Very high	96.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-67.7	-45	176.1	-60.6	0	0	0	0	112.1	S302 A303 I304 N309 T310 A879 F929	S302-C306 PolarHBondContact O-N 3.04Å; S302-C306 PolarHBondContact O-SG 3.36Å; A303-C306 PolarHBondContact O-N 3.39Å; I304-C306 VanDerWaalsContact C-N 3.31Å; I304-C306 PolarHBondContact O-N 2.97Å; C306-N309 PolarHBondContact O-N 2.99Å; C306-T310 PolarHBondContact O-N 2.93Å; C306-T310 PolarHBondContact O-OG1 3.04Å; C306-A879 HydrophobicContact CB-CB 3.96Å; C306-F929 HydrophobicContact CB-CD1 4.33Å; C306-F929 HydrophobicContact CB-CD2 3.73Å; C306-F929 HydrophobicContact CB-CE1 4.11Å; C306-F929 HydrophobicContact CB-CE2 3.47Å; C306-F929 VanDerWaalsContact CB-CE2 3.47Å; C306-F929 HydrophobicContact CB-CG 4.18Å; C306-F929 HydrophobicContact CB-CZ 3.68Å
307	L	98.4	Very high	96.8	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-69.6	-35.7	177.1	-67.5	168.7	0	0	0	112.3	A303 I304 N309 T310 L313 Y342 L385 L388 L389 F438 F929	A303-L307 PolarHBondContact O-N 2.63Å; I304-L307 PolarHBondContact O-N 2.88Å; L307-N309 VanDerWaalsContact C-N 3.32Å; L307-N309 PolarHBondContact O-N 3.14Å; L307-T310 VanDerWaalsContact O-CB 3.31Å; L307-T310 WeakPolarHBondContact O-CB 3.44Å; L307-T310 PolarHBondContact O-N 2.83Å; L307-T310 VanDerWaalsContact O-N 3.11Å; L307-L313 HydrophobicContact CB-CD2 4.3Å; L307-L313 HydrophobicContact CD2-CD2 4.14Å; L307-Y342 HydrophobicContact CB-CE2 4.45Å; L307-Y342 VanDerWaalsContact CB-OH 3.22Å; L307-Y342 WeakPolarHBondContact CB-OH 3.35Å; L307-L385 HydrophobicContact CD1-CD2 3.72Å; L307-L385 HydrophobicContact CD2-CD2 4.39Å; L307-L385 HydrophobicContact CG-CD2 3.89Å; L307-L388 HydrophobicContact CD1-CB 4.38Å; L307-L388 HydrophobicContact CD1-CD1 4.25Å; L307-L389 HydrophobicContact CD2-CD2 4.19Å; L307-F438 HydrophobicContact CD2-CZ 4.02Å; L307-F929 HydrophobicContact CD2-CE1 3.93Å; L307-F929 HydrophobicContact CD2-CZ 4.37Å; L307-F929 HydrophobicContact CG-CE1 4.43Å
308	S	98.4	Very high	97.1	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63.4	-35.9	176.4	-179.9	0	0	0	0	112.3	I304 T310 T314 W350	I304-S308 WeakPolarHBondContact O-CB 3.48Å; I304-S308 PolarHBondContact O-N 3.15Å; S308-T310 VanDerWaalsContact C-N 3.31Å; S308-T314 PolarHBondContact O-OG1 2.7Å; S308-W350 WeakPolarHBondContact O-CZ2 3.43Å; S308-W350 PolarHBondContact O-NE1 3.22Å; S308-W350 PolarHBondContact OG-NE1 3.05Å
309	N	97.9	Very high	97.2	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.011	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	19.6	174.9	-68.5	-84.3	0	0	0	112.9	Q305 C306 L307 P311 A896	Q305-N309 PolarHBondContact O-N 3.47Å; Q305-N309 VanDerWaalsContact O-N 3.14Å; Q305-N309 PolarHBondContact O-ND2 2.87Å; C306-N309 PolarHBondContact O-N 2.99Å; L307-N309 VanDerWaalsContact C-N 3.32Å; L307-N309 PolarHBondContact O-N 3.14Å; N309-P311 VanDerWaalsContact O-CD 3.32Å; N309-P311 WeakPolarHBondContact O-CD 3.46Å; N309-A896 HydrophobicContact CB-CB 3.61Å
310	T	98	Very high	97.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.			trans	-91.1	102.3	166.3	-60.4	0	0	0	0	109.3	C306 L307 S308 L313 T314 I437 F438 V830 I878	C306-T310 PolarHBondContact O-N 2.93Å; C306-T310 PolarHBondContact O-OG1 3.04Å; L307-T310 VanDerWaalsContact O-CB 3.31Å; L307-T310 WeakPolarHBondContact O-CB 3.44Å; L307-T310 PolarHBondContact O-N 2.83Å; L307-T310 VanDerWaalsContact O-N 3.11Å; S308-T310 VanDerWaalsContact C-N 3.31Å; T310-L313 HydrophobicContact CG2-CB 4.11Å; T310-L313 PolarHBondContact O-N 2.97Å; T310-T314 PolarHBondContact O-N 2.8Å; T310-T314 VanDerWaalsContact O-N 3.12Å; T310-I437 HydrophobicContact CG2-CG2 4.36Å; T310-F438 HydrophobicContact CG2-CE1 4.33Å; T310-F438 HydrophobicContact CG2-CZ 3.93Å; T310-V830 HydrophobicContact CG2-CB 4.39Å; T310-V830 HydrophobicContact CG2-CG1 4Å; T310-V830 HydrophobicContact CG2-CG2 3.89Å; T310-I878 HydrophobicContact CG2-CD1 4.37Å
311	P	95.9	Very high	97.2	Very high	22 Å²	22	21.6 Å²	21.6	14%	0.143	11%	0.111	C	C	.	.	H	α-helix	trans	-59.8	-47.1	-163.2	-23.5	33.8	0	0	0	114.9	N309 L313 T314 E315 K899	N309-P311 VanDerWaalsContact O-CD 3.32Å; N309-P311 WeakPolarHBondContact O-CD 3.46Å; P311-L313 VanDerWaalsContact C-N 3.26Å; P311-L313 PolarHBondContact O-N 3.38Å; P311-T314 PolarHBondContact O-N 3.24Å; P311-E315 WeakPolarHBondContact O-CB 3.4Å; P311-E315 WeakPolarHBondContact O-CG 3.45Å; P311-E315 PolarHBondContact O-N 2.79Å; P311-K899 HydrophobicContact CB-CB 4.39Å; P311-K899 HydrophobicContact CB-CD 4.05Å; P311-K899 HydrophobicContact CG-CB 4.05Å
312	P	95	Very high	97.1	Very high	22 Å²	22	22.3 Å²	22.3	14%	0.143	11%	0.113	C	C	.	.	H	α-helix	trans	-63.7	-29.7	-178.8	-22.7	34.9	0	0	0	113.7	Y316 I437 F942	P312-Y316 WeakPolarHBondContact O-CB 3.44Å; P312-Y316 PolarHBondContact O-N 3.16Å; P312-I437 HydrophobicContact CB-CD1 3.79Å; P312-I437 HydrophobicContact CB-CG1 4.07Å; P312-F942 HydrophobicContact CB-CE1 4.1Å; P312-F942 HydrophobicContact CB-CZ 4.15Å; P312-F942 HydrophobicContact CG-CE1 4.43Å; P312-F942 HydrophobicContact CG-CZ 4.06Å
313	L	96.9	Very high	97	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-74.9	-49.3	179.1	-174.7	67.6	0	0	0	110.5	L307 T310 P311 Y316 F317 Y342 I433 I434 I437 F438	L307-L313 HydrophobicContact CB-CD2 4.3Å; L307-L313 HydrophobicContact CD2-CD2 4.14Å; T310-L313 HydrophobicContact CG2-CB 4.11Å; T310-L313 PolarHBondContact O-N 2.97Å; P311-L313 VanDerWaalsContact C-N 3.26Å; P311-L313 PolarHBondContact O-N 3.38Å; L313-Y316 WeakPolarHBondContact O-CB 3.06Å; L313-Y316 PolarHBondContact O-N 2.97Å; L313-F317 HydrophobicContact CD1-CD2 4.37Å; L313-F317 HydrophobicContact CD1-CE2 3.72Å; L313-F317 HydrophobicContact CG-CD2 4.28Å; L313-F317 HydrophobicContact CG-CE2 3.99Å; L313-F317 WeakPolarHBondContact O-CD2 3.31Å; L313-F317 PolarHBondContact O-N 3.42Å; L313-Y342 HydrophobicContact CD2-CE1 4.35Å; L313-I433 HydrophobicContact CD1-CG2 4.49Å; L313-I434 HydrophobicContact CD1-CD1 3.72Å; L313-I437 HydrophobicContact CB-CD1 3.89Å; L313-I437 HydrophobicContact CD1-CD1 4.16Å; L313-F438 HydrophobicContact CD1-CE2 4.47Å; L313-F438 HydrophobicContact CD2-CE2 4.13Å; L313-F438 HydrophobicContact CD2-CZ 4.21Å
314	T	97.6	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-44	178.6	-79.9	0	0	0	0	111.5	S308 T310 P311 Y316 F317 L318 I346 W350	S308-T314 PolarHBondContact O-OG1 2.7Å; T310-T314 PolarHBondContact O-N 2.8Å; T310-T314 VanDerWaalsContact O-N 3.12Å; P311-T314 PolarHBondContact O-N 3.24Å; T314-Y316 VanDerWaalsContact C-N 3.3Å; T314-Y316 PolarHBondContact O-N 2.77Å; T314-F317 PolarHBondContact O-N 3.06Å; T314-F317 VanDerWaalsContact O-N 3.12Å; T314-L318 HydrophobicContact CG2-CD1 3.62Å; T314-L318 HydrophobicContact CG2-CG 4.08Å; T314-L318 WeakPolarHBondContact O-CG 3.42Å; T314-L318 PolarHBondContact O-N 2.61Å; T314-I346 HydrophobicContact CG2-CG2 4.01Å; T314-W350 HydrophobicContact CG2-CD2 3.93Å; T314-W350 HydrophobicContact CG2-CG 4.02Å; T314-W350 HydrophobicContact CG2-CZ2 4.32Å
315	E	95.8	Very high	96.7	Very high	81 Å²	81	37.4 Å²	37.4	38%	0.379	18%	0.183	S	C	.	.	H	α-helix	trans	-66.2	-31	179	-70.5	179.5	178.9	0	0	112.6	P311 N319 K899	P311-E315 WeakPolarHBondContact O-CB 3.4Å; P311-E315 WeakPolarHBondContact O-CG 3.45Å; P311-E315 PolarHBondContact O-N 2.79Å; E315-N319 VanDerWaalsContact O-CB 3.25Å; E315-N319 WeakPolarHBondContact O-CB 3.14Å; E315-N319 PolarHBondContact O-N 3.44Å; E315-N319 PolarHBondContact O-ND2 2.89Å; E315-K899 WeakPolarHBondContact OE1-CE 3.22Å; E315-K899 IonicContact OE1-NZ 2.79Å; E315-K899 PolarHBondContact OE1-NZ 2.91Å
316	Y	96.9	Very high	96.7	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-63.5	-40.2	170.9	165.6	-88.1	0	0	0	112.7	P312 L313 T314 K321 Y322 E325 L396 I433 L944	P312-Y316 WeakPolarHBondContact O-CB 3.44Å; P312-Y316 PolarHBondContact O-N 3.16Å; L313-Y316 WeakPolarHBondContact O-CB 3.06Å; L313-Y316 PolarHBondContact O-N 2.97Å; T314-Y316 VanDerWaalsContact C-N 3.3Å; T314-Y316 PolarHBondContact O-N 2.77Å; Y316-K321 HydrophobicContact CD2-CB 3.63Å; Y316-K321 HydrophobicContact CD2-CD 4.26Å; Y316-K321 HydrophobicContact CE2-CB 3.78Å; Y316-K321 HydrophobicContact CG-CB 4.3Å; Y316-K321 PolarHBondContact O-N 2.78Å; Y316-Y322 VanDerWaalsContact CE1-CB 3.46Å; Y316-Y322 WeakPolarHBondContact OH-CA 3.47Å; Y316-E325 WeakPolarHBondContact OH-CB 3.15Å; Y316-E325 PolarHBondContact OH-OE2 2.97Å; Y316-L396 HydrophobicContact CE1-CD1 3.84Å; Y316-I433 HydrophobicContact CD1-CB 4.38Å; Y316-I433 HydrophobicContact CD1-CG1 3.99Å; Y316-I433 HydrophobicContact CD1-CG2 4.09Å; Y316-I433 HydrophobicContact CD2-CB 4.08Å; Y316-I433 HydrophobicContact CD2-CD1 3.73Å; Y316-I433 HydrophobicContact CD2-CG1 3.67Å; Y316-I433 HydrophobicContact CE1-CB 4.14Å; Y316-I433 HydrophobicContact CE1-CG1 4.27Å; Y316-I433 HydrophobicContact CE1-CG2 3.64Å; Y316-I433 HydrophobicContact CE2-CB 3.83Å; Y316-I433 HydrophobicContact CE2-CD1 4.25Å; Y316-I433 HydrophobicContact CE2-CG1 3.97Å; Y316-I433 HydrophobicContact CE2-CG2 4.22Å; Y316-I433 HydrophobicContact CG-CB 4.34Å; Y316-I433 HydrophobicContact CG-CD1 4.06Å; Y316-I433 HydrophobicContact CG-CG1 3.67Å; Y316-L944 HydrophobicContact CD2-CD1 4.46Å
317	F	97.6	Very high	96.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-76.6	-34.7	176.8	-73.3	-66.6	0	0	0	113.8	L313 T314 D320 Y322 Y342 A343 I346 K347 L392 L396	L313-F317 HydrophobicContact CD1-CD2 4.37Å; L313-F317 HydrophobicContact CD1-CE2 3.72Å; L313-F317 HydrophobicContact CG-CD2 4.28Å; L313-F317 HydrophobicContact CG-CE2 3.99Å; L313-F317 WeakPolarHBondContact O-CD2 3.31Å; L313-F317 PolarHBondContact O-N 3.42Å; T314-F317 PolarHBondContact O-N 3.06Å; T314-F317 VanDerWaalsContact O-N 3.12Å; F317-D320 PolarHBondContact O-N 2.72Å; F317-Y322 AromaticContact CD1-CD1 3.67Å; F317-Y322 HydrophobicContact CD1-CD1 3.67Å; F317-Y322 HydrophobicContact CD1-CD2 4.28Å; F317-Y322 HydrophobicContact CD1-CE1 4.33Å; F317-Y322 AromaticContact CD1-CG 3.63Å; F317-Y322 HydrophobicContact CD1-CG 3.63Å; F317-Y322 HydrophobicContact CE1-CD1 4.4Å; F317-Y322 HydrophobicContact CE1-CD2 4.32Å; F317-Y322 AromaticContact CE1-CG 3.9Å; F317-Y322 HydrophobicContact CE1-CG 3.9Å; F317-Y342 AromaticContact CD2-CD1 3.84Å; F317-Y342 HydrophobicContact CD2-CD1 3.84Å; F317-Y342 AromaticContact CD2-CE1 3.65Å; F317-Y342 HydrophobicContact CD2-CE1 3.65Å; F317-Y342 HydrophobicContact CE1-CD1 4.36Å; F317-Y342 AromaticContact CE2-CD1 3.47Å; F317-Y342 HydrophobicContact CE2-CD1 3.47Å; F317-Y342 VanDerWaalsContact CE2-CD1 3.47Å; F317-Y342 AromaticContact CE2-CE1 3.43Å; F317-Y342 HydrophobicContact CE2-CE1 3.43Å; F317-Y342 VanDerWaalsContact CE2-CE1 3.43Å; F317-Y342 HydrophobicContact CG-CD1 4.46Å; F317-Y342 AromaticContact CZ-CD1 3.76Å; F317-Y342 HydrophobicContact CZ-CD1 3.76Å; F317-Y342 HydrophobicContact CZ-CE1 4.19Å; F317-A343 HydrophobicContact CB-CB 4.43Å; F317-A343 HydrophobicContact CD1-CB 3.45Å; F317-A343 VanDerWaalsContact CD1-CB 3.45Å; F317-A343 HydrophobicContact CE1-CB 4.01Å; F317-A343 HydrophobicContact CG-CB 4.2Å; F317-I346 HydrophobicContact CB-CG2 4.34Å; F317-K347 WeakPolarHBondContact O-CE 3.29Å; F317-L392 HydrophobicContact CZ-CD2 4.26Å; F317-L396 HydrophobicContact CE1-CD1 4.12Å; F317-L396 HydrophobicContact CZ-CD1 3.81Å
318	L	95.9	Very high	96.3	Very high	58 Å²	58	42.6 Å²	42.6	30%	0.304	21%	0.207	S	C	.	.	H	α-helix	trans	-72.5	-34.2	177	-65.7	179.4	0	0	0	112.7	T314 D320 I346 K347 W350	T314-L318 HydrophobicContact CG2-CD1 3.62Å; T314-L318 HydrophobicContact CG2-CG 4.08Å; T314-L318 WeakPolarHBondContact O-CG 3.42Å; T314-L318 PolarHBondContact O-N 2.61Å; L318-D320 PolarHBondContact O-N 3.17Å; L318-I346 HydrophobicContact CD2-CG2 4.21Å; L318-I346 HydrophobicContact CG-CG2 4.38Å; L318-K347 HydrophobicContact CD2-CG 3.95Å; L318-W350 HydrophobicContact CD1-CB 3.77Å; L318-W350 HydrophobicContact CD1-CD2 4.46Å; L318-W350 HydrophobicContact CD1-CG 4.05Å; L318-W350 HydrophobicContact CD2-CB 3.94Å; L318-W350 HydrophobicContact CG-CB 4.46Å
319	N	95.9	Very high	96	Very high	108 Å²	108	49.3 Å²	49.3	58%	0.578	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	15.3	173.4	-67.9	-65.1	0	0	0	113.4	E315 K321	E315-N319 VanDerWaalsContact O-CB 3.25Å; E315-N319 WeakPolarHBondContact O-CB 3.14Å; E315-N319 PolarHBondContact O-N 3.44Å; E315-N319 PolarHBondContact O-ND2 2.89Å; N319-K321 HydrophobicContact CB-CG 4.28Å; N319-K321 PolarHBondContact O-N 3.46Å
320	D	96.4	Very high	95.6	Very high	61 Å²	61	49.6 Å²	49.6	33%	0.326	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	6.6	174.1	-96.3	-56.3	0	0	0	117.7	F317 L318 Y322 Q323 K347	F317-D320 PolarHBondContact O-N 2.72Å; L318-D320 PolarHBondContact O-N 3.17Å; D320-Y322 PolarHBondContact O-N 2.9Å; D320-Y322 WeakPolarHBondContact OD1-CE1 3.38Å; D320-Q323 VanDerWaalsContact CG-NE2 3.34Å; D320-Q323 WeakPolarHBondContact O-CG 3.26Å; D320-Q323 PolarHBondContact O-N 3.03Å; D320-Q323 PolarHBondContact OD1-NE2 3.48Å; D320-K347 IonicContact OD1-NZ 3.6Å; D320-K347 PolarHBondContact OD1-NZ 3.46Å; D320-K347 IonicContact OD2-NZ 3.21Å; D320-K347 PolarHBondContact OD2-NZ 3.27Å
321	K	94.7	Very high	95.1	Very high	86 Å²	86	55.3 Å²	55.3	37%	0.374	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-30.8	-177.2	-62.5	-173.3	174.3	-172.9	0	113.5	Y316 N319 Q323 E324 L944	Y316-K321 HydrophobicContact CD2-CB 3.63Å; Y316-K321 HydrophobicContact CD2-CD 4.26Å; Y316-K321 HydrophobicContact CE2-CB 3.78Å; Y316-K321 HydrophobicContact CG-CB 4.3Å; Y316-K321 PolarHBondContact O-N 2.78Å; N319-K321 HydrophobicContact CB-CG 4.28Å; N319-K321 PolarHBondContact O-N 3.46Å; K321-Q323 PolarHBondContact O-N 3.04Å; K321-E324 PolarHBondContact O-N 3.36Å; K321-L944 HydrophobicContact CD-CD1 4.05Å; K321-L944 HydrophobicContact CD-CD2 4.03Å
322	Y	97.1	Very high	94.8	Very high	19 Å²	19	59 Å²	59	8%	0.075	30%	0.299	C	S	.	.	H	α-helix	trans	-57.6	-27.7	176.9	77.2	-81.4	0	0	0	114.5	Y316 F317 D320 E324 E325 L326 A343 K347	Y316-Y322 VanDerWaalsContact CE1-CB 3.46Å; Y316-Y322 WeakPolarHBondContact OH-CA 3.47Å; F317-Y322 AromaticContact CD1-CD1 3.67Å; F317-Y322 HydrophobicContact CD1-CD1 3.67Å; F317-Y322 HydrophobicContact CD1-CD2 4.28Å; F317-Y322 HydrophobicContact CD1-CE1 4.33Å; F317-Y322 AromaticContact CD1-CG 3.63Å; F317-Y322 HydrophobicContact CD1-CG 3.63Å; F317-Y322 HydrophobicContact CE1-CD1 4.4Å; F317-Y322 HydrophobicContact CE1-CD2 4.32Å; F317-Y322 AromaticContact CE1-CG 3.9Å; F317-Y322 HydrophobicContact CE1-CG 3.9Å; D320-Y322 PolarHBondContact O-N 2.9Å; D320-Y322 WeakPolarHBondContact OD1-CE1 3.38Å; Y322-E324 VanDerWaalsContact C-N 3.25Å; Y322-E324 PolarHBondContact O-N 2.79Å; Y322-E325 PolarHBondContact O-N 3.31Å; Y322-L326 HydrophobicContact CD2-CD1 4.24Å; Y322-L326 HydrophobicContact CD2-CG 4.37Å; Y322-L326 HydrophobicContact CE2-CD1 4.48Å; Y322-L326 WeakPolarHBondContact O-CG 3.37Å; Y322-L326 PolarHBondContact O-N 2.92Å; Y322-L326 VanDerWaalsContact O-N 3.1Å; Y322-A343 HydrophobicContact CD1-CB 4.22Å; Y322-A343 HydrophobicContact CD2-CB 4.05Å; Y322-A343 HydrophobicContact CE1-CB 3.75Å; Y322-A343 HydrophobicContact CE2-CB 3.58Å; Y322-A343 HydrophobicContact CG-CB 4.35Å; Y322-A343 VanDerWaalsContact CZ-CB 3.4Å; Y322-K347 PolarHBondContact OH-NZ 3.25Å; Y322-K347 VanDerWaalsContact OH-NZ 3.08Å
323	Q	95.3	Very high	94.4	Very high	116 Å²	116	58.9 Å²	58.9	54%	0.542	30%	0.302	S	S	.	.	H	α-helix	trans	-61.2	-33.7	-174.5	-67.1	-164.3	32.6	0	0	113.1	D320 K321	D320-Q323 VanDerWaalsContact CG-NE2 3.34Å; D320-Q323 WeakPolarHBondContact O-CG 3.26Å; D320-Q323 PolarHBondContact O-N 3.03Å; D320-Q323 PolarHBondContact OD1-NE2 3.48Å; K321-Q323 PolarHBondContact O-N 3.04Å
324	E	94.7	Very high	94.2	Very high	173 Å²	173	59.7 Å²	59.7	81%	0.808	31%	0.306	S	S	*	.	H	α-helix	trans	-85.3	-30.5	-179.1	-58.2	-172.5	171.3	0	0	112.2	K321 Y322 R400	K321-E324 PolarHBondContact O-N 3.36Å; Y322-E324 VanDerWaalsContact C-N 3.25Å; Y322-E324 PolarHBondContact O-N 2.79Å; E324-R400 PolarHBondContact O-NH2 2.81Å; E324-R400 VanDerWaalsContact O-NH2 3.09Å
325	E	95.5	Very high	94	Very high	30 Å²	30	64.8 Å²	64.8	14%	0.14	33%	0.325	C	S	.	.	H	α-helix	trans	-80.4	-18.4	179.2	-61.2	-162.7	166.6	0	0	113.7	Y316 Y322 N327 L396 R398 R400	Y316-E325 WeakPolarHBondContact OH-CB 3.15Å; Y316-E325 PolarHBondContact OH-OE2 2.97Å; Y322-E325 PolarHBondContact O-N 3.31Å; E325-N327 PolarHBondContact O-N 2.92Å; E325-L396 HydrophobicContact CB-CD2 4.41Å; E325-R398 VanDerWaalsContact CD-NE 3.3Å; E325-R398 HydrophobicContact CG-CG 4.47Å; E325-R398 IonicContact OE1-CZ 2.89Å; E325-R398 VanDerWaalsContact OE1-CZ 3.29Å; E325-R398 IonicContact OE1-NE 3Å; E325-R398 PolarHBondContact OE1-NE 2.65Å; E325-R398 IonicContact OE1-NH2 2.81Å; E325-R398 PolarHBondContact OE1-NH2 2.99Å; E325-R398 IonicContact OE2-CZ 3.67Å; E325-R398 IonicContact OE2-NE 2.67Å; E325-R398 PolarHBondContact OE2-NE 2.92Å; E325-R398 IonicContact OE2-NH2 2.79Å; E325-R398 PolarHBondContact OE2-NH2 3.02Å; E325-R400 PolarHBondContact O-NH2 2.76Å
326	L	97.2	Very high	93.8	Very high	12 Å²	12	60.9 Å²	60.9	6%	0.063	31%	0.307	C	S	.	.			trans	-47.5	126.1	179.3	-84.4	170.9	0	0	0	113.5	Y322 F328 A339 K340 D395 L396 R400	Y322-L326 HydrophobicContact CD2-CD1 4.24Å; Y322-L326 HydrophobicContact CD2-CG 4.37Å; Y322-L326 HydrophobicContact CE2-CD1 4.48Å; Y322-L326 WeakPolarHBondContact O-CG 3.37Å; Y322-L326 PolarHBondContact O-N 2.92Å; Y322-L326 VanDerWaalsContact O-N 3.1Å; L326-F328 HydrophobicContact CB-CE1 4.13Å; L326-F328 HydrophobicContact CB-CE2 4.21Å; L326-F328 HydrophobicContact CB-CZ 3.69Å; L326-F328 HydrophobicContact CD1-CE1 4.32Å; L326-F328 HydrophobicContact CD1-CZ 4Å; L326-F328 HydrophobicContact CG-CZ 4.4Å; L326-A339 HydrophobicContact CD2-CB 3.79Å; L326-K340 HydrophobicContact CD1-CG 4.2Å; L326-K340 HydrophobicContact CD2-CG 4.46Å; L326-D395 CarbonylContact C-O 3.58Å; L326-D395 WeakPolarHBondContact CA-O 3.43Å; L326-L396 HydrophobicContact CD2-CD2 4.04Å; L326-L396 HydrophobicContact CG-CD2 4.24Å; L326-R400 PolarHBondContact O-NH1 3.29Å; L326-R400 PolarHBondContact O-NH2 2.81Å
327	N	94.5	Very high	93.7	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.011	32%	0.318	C	S	.	.			trans	-117.2	88.6	-174.6	-163.6	-2.9	0	0	0	113.1	E325 D329 N330 D395 N397	E325-N327 PolarHBondContact O-N 2.92Å; N327-D329 VanDerWaalsContact C-N 3.31Å; N327-D329 PolarHBondContact O-N 2.8Å; N327-N330 HydrophobicContact CB-CB 4.36Å; N327-D395 PolarHBondContact N-O 3.38Å; N327-N397 PolarHBondContact ND2-O 3.24Å
328	F	94.9	Very high	93.7	Very high	98 Å²	98	63.2 Å²	63.2	43%	0.43	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-26.6	-177.7	-52.9	-62.8	0	0	0	114.5	L326 R335	L326-F328 HydrophobicContact CB-CE1 4.13Å; L326-F328 HydrophobicContact CB-CE2 4.21Å; L326-F328 HydrophobicContact CB-CZ 3.69Å; L326-F328 HydrophobicContact CD1-CE1 4.32Å; L326-F328 HydrophobicContact CD1-CZ 4Å; L326-F328 HydrophobicContact CG-CZ 4.4Å; F328-R335 WeakPolarHBondContact CD1-O 3.49Å
329	D	92.1	Very high	93.7	Very high	142 Å²	142	60.4 Å²	60.4	76%	0.759	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	1.5	-170.8	-59	-51.8	0	0	0	113.5	N327 P331	N327-D329 VanDerWaalsContact C-N 3.31Å; N327-D329 PolarHBondContact O-N 2.8Å; D329-P331 WeakPolarHBondContact O-CD 3.34Å
330	N	90.7	Very high	93.8	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.043	29%	0.289	C	S	.	.			trans	-64.8	118.6	179.6	-171.8	-7.4	0	0	0	110.4	N327 L332 G333 E394	N327-N330 HydrophobicContact CB-CB 4.36Å; N330-L332 PolarHBondContact O-N 3.27Å; N330-L332 VanDerWaalsContact O-N 3.09Å; N330-L332 PolarHBondContact OD1-N 2.92Å; N330-L332 VanDerWaalsContact OD1-N 3.16Å; N330-G333 PolarHBondContact O-N 3.45Å; N330-E394 PolarHBondContact ND2-O 2.9Å; N330-E394 PolarHBondContact ND2-OE2 3.19Å
331	P	87.6	Confident	93.9	Very high	120 Å²	120	55.8 Å²	55.8	78%	0.779	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-9.2	-179	28.8	-37	0	0	0	114.2	D329	D329-P331 WeakPolarHBondContact O-CD 3.34Å
332	L	88.3	Confident	94.1	Very high	99 Å²	99	51.7 Å²	51.7	52%	0.518	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-9.4	174.3	-59.4	176.1	0	0	0	112.8	N330 E394 K402	N330-L332 PolarHBondContact O-N 3.27Å; N330-L332 VanDerWaalsContact O-N 3.09Å; N330-L332 PolarHBondContact OD1-N 2.92Å; N330-L332 VanDerWaalsContact OD1-N 3.16Å; L332-E394 HydrophobicContact CB-CG 4.07Å; L332-E394 WeakPolarHBondContact CB-OE1 3.35Å; L332-E394 WeakPolarHBondContact CD1-OE1 3.47Å; L332-K402 HydrophobicContact CD1-CD 4.4Å
333	G	86.2	Confident	94.1	Very high	19 Å²	19	50.8 Å²	50.8	20%	0.196	26%	0.255	C	S	.	.	S	Bend	trans	-90.4	175.5	-178.8	0	0	0	0	0	114	N330	N330-G333 PolarHBondContact O-N 3.45Å
334	M	93.4	Very high	94.2	Very high	18 Å²	18	50.3 Å²	50.3	9%	0.089	25%	0.253	C	S	.	.			trans	-97.6	13.2	-179.2	-61.5	81.7	-169.3	0	0	112.2	E337 I338 F369 F387 G391 D395	M334-E337 WeakPolarHBondContact O-CG 3.39Å; M334-I338 HydrophobicContact CB-CB 4.4Å; M334-I338 HydrophobicContact CB-CG1 3.73Å; M334-I338 HydrophobicContact CG-CG1 3.67Å; M334-I338 HydrophobicContact SD-CG1 4.19Å; M334-F369 HydrophobicContact CB-CD1 3.8Å; M334-F369 HydrophobicContact CB-CD2 3.97Å; M334-F369 HydrophobicContact CB-CE1 3.73Å; M334-F369 HydrophobicContact CB-CE2 3.94Å; M334-F369 HydrophobicContact CB-CG 3.92Å; M334-F369 HydrophobicContact CB-CZ 3.81Å; M334-F369 HydrophobicContact CG-CB 3.95Å; M334-F369 HydrophobicContact CG-CD1 3.67Å; M334-F369 HydrophobicContact CG-CD2 4.09Å; M334-F369 HydrophobicContact CG-CE1 4.13Å; M334-F369 HydrophobicContact CG-CG 3.64Å; M334-F369 WeakPolarHBondContact O-CZ 3.49Å; M334-F387 HydrophobicContact CE-CE2 3.83Å; M334-F387 HydrophobicContact CE-CZ 4.37Å; M334-G391 WeakPolarHBondContact SD-CA 3.46Å; M334-D395 VanDerWaalsContact CA-OD1 3.32Å; M334-D395 WeakPolarHBondContact CA-OD1 3.48Å; M334-D395 PolarHBondContact N-OD1 3.04Å
335	R	92.4	Very high	94.4	Very high	106 Å²	106	42.4 Å²	42.4	40%	0.4	22%	0.216	S	C	.	.	S	Bend	trans	68.3	36	-174.3	-53	161.9	-72.6	-146.7	-11.7	113.2	F328 E337 F369 D395	F328-R335 WeakPolarHBondContact CD1-O 3.49Å; R335-E337 PolarHBondContact O-N 3.44Å; R335-F369 VanDerWaalsContact NH2-CE1 3.32Å; R335-D395 PolarHBondContact N-OD1 2.73Å
336	G	92.4	Very high	94.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	74.5	3	-179.6	0	0	0	0	0	114.5	K340 D395	G336-K340 WeakPolarHBondContact O-CB 3.35Å; G336-K340 WeakPolarHBondContact O-CD 3.37Å; G336-K340 WeakPolarHBondContact O-CE 3.24Å; G336-K340 WeakPolarHBondContact O-CG 3.45Å; G336-K340 PolarHBondContact O-N 2.82Å; G336-D395 WeakPolarHBondContact CA-OD1 3.46Å; G336-D395 WeakPolarHBondContact CA-OD2 3.32Å; G336-D395 PolarHBondContact N-OD1 2.84Å; G336-D395 PolarHBondContact N-OD2 2.8Å
337	E	94.8	Very high	94.6	Very high	52 Å²	52	43.3 Å²	43.3	24%	0.243	22%	0.219	C	C	.	.	H	α-helix	trans	-78.3	-29.9	-172	-61	-74	94.9	0	0	112.7	M334 R335 K340 S341 R368 F369 D395	M334-E337 WeakPolarHBondContact O-CG 3.39Å; R335-E337 PolarHBondContact O-N 3.44Å; E337-K340 IonicContact OE1-NZ 2.92Å; E337-K340 PolarHBondContact OE1-NZ 2.9Å; E337-S341 WeakPolarHBondContact O-CB 3.03Å; E337-S341 PolarHBondContact O-N 2.85Å; E337-S341 PolarHBondContact O-OG 2.99Å; E337-R368 IonicContact OE2-NH1 2.67Å; E337-F369 HydrophobicContact CB-CE2 3.84Å; E337-F369 HydrophobicContact CB-CZ 4.16Å; E337-F369 HydrophobicContact CG-CE2 4.43Å; E337-F369 HydrophobicContact CG-CZ 4.32Å; E337-D395 PolarHBondContact N-OD2 3.11Å; E337-D395 VanDerWaalsContact N-OD2 3.13Å
338	I	96.7	Very high	94.7	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-74.6	-46.9	172.8	-65.5	-66.9	0	0	0	108.8	M334 K340 S341 Y342 Q365 V366 F369 F387 L388 L392 D395	M334-I338 HydrophobicContact CB-CB 4.4Å; M334-I338 HydrophobicContact CB-CG1 3.73Å; M334-I338 HydrophobicContact CG-CG1 3.67Å; M334-I338 HydrophobicContact SD-CG1 4.19Å; I338-K340 PolarHBondContact O-N 3.15Å; I338-S341 PolarHBondContact O-N 2.78Å; I338-S341 PolarHBondContact O-OG 3.49Å; I338-Y342 VanDerWaalsContact O-CB 3.26Å; I338-Y342 WeakPolarHBondContact O-CB 3.46Å; I338-Y342 PolarHBondContact O-N 2.91Å; I338-Q365 HydrophobicContact CD1-CB 3.96Å; I338-V366 HydrophobicContact CD1-CG2 4.31Å; I338-F369 HydrophobicContact CD1-CD2 4.09Å; I338-F369 HydrophobicContact CG1-CD2 4.22Å; I338-F387 HydrophobicContact CD1-CE1 4.39Å; I338-F387 HydrophobicContact CD1-CZ 4.33Å; I338-L388 HydrophobicContact CG2-CD2 4.42Å; I338-L392 HydrophobicContact CG2-CD2 4.11Å; I338-L392 HydrophobicContact CG2-CG 4.42Å; I338-D395 WeakPolarHBondContact CA-OD2 3.36Å; I338-D395 WeakPolarHBondContact CB-OD2 3.48Å; I338-D395 PolarHBondContact N-OD2 2.97Å
339	A	97.9	Very high	94.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-42.8	177.9	0	0	0	0	0	113.4	L326 A343 L392 D395 L396	L326-A339 HydrophobicContact CD2-CB 3.79Å; A339-A343 VanDerWaalsContact O-CB 3.29Å; A339-A343 WeakPolarHBondContact O-CB 3.33Å; A339-A343 PolarHBondContact O-N 3.36Å; A339-L392 HydrophobicContact CB-CD2 4.12Å; A339-D395 HydrophobicContact CB-CB 3.64Å; A339-D395 PolarHBondContact N-OD2 3.45Å; A339-L396 HydrophobicContact CB-CD1 4.3Å; A339-L396 HydrophobicContact CB-CD2 3.93Å; A339-L396 HydrophobicContact CB-CG 3.95Å
340	K	97.3	Very high	95.1	Very high	61 Å²	61	36.5 Å²	36.5	27%	0.265	18%	0.183	S	C	.	.	H	α-helix	trans	-60.3	-53.2	173.7	-73.8	166.7	-152.4	164.3	0	112.1	L326 G336 E337 I338 Y342 A343 E344	L326-K340 HydrophobicContact CD1-CG 4.2Å; L326-K340 HydrophobicContact CD2-CG 4.46Å; G336-K340 WeakPolarHBondContact O-CB 3.35Å; G336-K340 WeakPolarHBondContact O-CD 3.37Å; G336-K340 WeakPolarHBondContact O-CE 3.24Å; G336-K340 WeakPolarHBondContact O-CG 3.45Å; G336-K340 PolarHBondContact O-N 2.82Å; E337-K340 IonicContact OE1-NZ 2.92Å; E337-K340 PolarHBondContact OE1-NZ 2.9Å; I338-K340 PolarHBondContact O-N 3.15Å; K340-Y342 VanDerWaalsContact C-N 3.29Å; K340-Y342 PolarHBondContact O-N 3.21Å; K340-A343 PolarHBondContact O-N 2.79Å; K340-A343 VanDerWaalsContact O-N 3.16Å; K340-E344 WeakPolarHBondContact O-CG 3.34Å; K340-E344 PolarHBondContact O-N 3.4Å
341	S	97.8	Very high	95.3	Very high	10 Å²	10	38.2 Å²	38.2	7%	0.07	20%	0.196	C	C	.	.	H	α-helix	trans	-69.8	-27.7	-174.3	57.8	0	0	0	0	112.7	E337 I338 L345	E337-S341 WeakPolarHBondContact O-CB 3.03Å; E337-S341 PolarHBondContact O-N 2.85Å; E337-S341 PolarHBondContact O-OG 2.99Å; I338-S341 PolarHBondContact O-N 2.78Å; I338-S341 PolarHBondContact O-OG 3.49Å; S341-L345 WeakPolarHBondContact O-CB 3.39Å; S341-L345 PolarHBondContact O-N 3.24Å
342	Y	98.4	Very high	95.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.8	-49.7	166.8	-174.3	-100.9	0	0	0	111.7	L307 L313 F317 I338 K340 E344 L345 I346 F362 L392	L307-Y342 HydrophobicContact CB-CE2 4.45Å; L307-Y342 VanDerWaalsContact CB-OH 3.22Å; L307-Y342 WeakPolarHBondContact CB-OH 3.35Å; L313-Y342 HydrophobicContact CD2-CE1 4.35Å; F317-Y342 AromaticContact CD2-CD1 3.84Å; F317-Y342 HydrophobicContact CD2-CD1 3.84Å; F317-Y342 AromaticContact CD2-CE1 3.65Å; F317-Y342 HydrophobicContact CD2-CE1 3.65Å; F317-Y342 HydrophobicContact CE1-CD1 4.36Å; F317-Y342 AromaticContact CE2-CD1 3.47Å; F317-Y342 HydrophobicContact CE2-CD1 3.47Å; F317-Y342 VanDerWaalsContact CE2-CD1 3.47Å; F317-Y342 AromaticContact CE2-CE1 3.43Å; F317-Y342 HydrophobicContact CE2-CE1 3.43Å; F317-Y342 VanDerWaalsContact CE2-CE1 3.43Å; F317-Y342 HydrophobicContact CG-CD1 4.46Å; F317-Y342 AromaticContact CZ-CD1 3.76Å; F317-Y342 HydrophobicContact CZ-CD1 3.76Å; F317-Y342 HydrophobicContact CZ-CE1 4.19Å; I338-Y342 VanDerWaalsContact O-CB 3.26Å; I338-Y342 WeakPolarHBondContact O-CB 3.46Å; I338-Y342 PolarHBondContact O-N 2.91Å; K340-Y342 VanDerWaalsContact C-N 3.29Å; K340-Y342 PolarHBondContact O-N 3.21Å; Y342-E344 VanDerWaalsContact C-N 3.34Å; Y342-E344 PolarHBondContact O-N 2.88Å; Y342-L345 WeakPolarHBondContact O-CB 3.48Å; Y342-L345 PolarHBondContact O-N 2.94Å; Y342-L345 VanDerWaalsContact O-N 3.08Å; Y342-I346 HydrophobicContact CD1-CG1 3.98Å; Y342-I346 HydrophobicContact CE1-CD1 4.19Å; Y342-I346 HydrophobicContact CE1-CG1 3.51Å; Y342-I346 HydrophobicContact CE2-CD1 4.18Å; Y342-I346 HydrophobicContact CE2-CG1 4.12Å; Y342-I346 HydrophobicContact CG-CG1 4.46Å; Y342-I346 WeakPolarHBondContact O-CG1 3.46Å; Y342-I346 PolarHBondContact O-N 2.91Å; Y342-F362 HydrophobicContact CD2-CE2 4.03Å; Y342-F362 HydrophobicContact CD2-CZ 4.03Å; Y342-F362 HydrophobicContact CG-CE2 4.46Å; Y342-L392 HydrophobicContact CD1-CD1 4.11Å; Y342-L392 HydrophobicContact CD1-CD2 4.15Å; Y342-L392 HydrophobicContact CD2-CD1 4.48Å; Y342-L392 HydrophobicContact CE1-CD1 4.24Å; Y342-L392 HydrophobicContact CG-CD1 4.24Å; Y342-L392 HydrophobicContact CG-CD2 4.12Å
343	A	98.1	Very high	95.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.9	-41.4	179.1	0	0	0	0	0	112.7	F317 Y322 A339 K340 L345 K347	F317-A343 HydrophobicContact CB-CB 4.43Å; F317-A343 HydrophobicContact CD1-CB 3.45Å; F317-A343 VanDerWaalsContact CD1-CB 3.45Å; F317-A343 HydrophobicContact CE1-CB 4.01Å; F317-A343 HydrophobicContact CG-CB 4.2Å; Y322-A343 HydrophobicContact CD1-CB 4.22Å; Y322-A343 HydrophobicContact CD2-CB 4.05Å; Y322-A343 HydrophobicContact CE1-CB 3.75Å; Y322-A343 HydrophobicContact CE2-CB 3.58Å; Y322-A343 HydrophobicContact CG-CB 4.35Å; Y322-A343 VanDerWaalsContact CZ-CB 3.4Å; A339-A343 VanDerWaalsContact O-CB 3.29Å; A339-A343 WeakPolarHBondContact O-CB 3.33Å; A339-A343 PolarHBondContact O-N 3.36Å; K340-A343 PolarHBondContact O-N 2.79Å; K340-A343 VanDerWaalsContact O-N 3.16Å; A343-L345 VanDerWaalsContact C-N 3.31Å; A343-L345 PolarHBondContact O-N 2.77Å; A343-K347 WeakPolarHBondContact O-CB 3.27Å; A343-K347 VanDerWaalsContact O-CG 3.25Å; A343-K347 WeakPolarHBondContact O-CG 3.42Å; A343-K347 PolarHBondContact O-N 3.27Å
344	E	97.8	Very high	96	Very high	106 Å²	106	39 Å²	39	50%	0.495	18%	0.181	S	C	.	.	H	α-helix	trans	-62.1	-36.6	174.2	-75.1	175.4	-171.5	0	0	112.5	K340 Y342 Q348	K340-E344 WeakPolarHBondContact O-CG 3.34Å; K340-E344 PolarHBondContact O-N 3.4Å; Y342-E344 VanDerWaalsContact C-N 3.34Å; Y342-E344 PolarHBondContact O-N 2.88Å; E344-Q348 WeakPolarHBondContact O-CG 3.26Å; E344-Q348 PolarHBondContact O-N 3.18Å; E344-Q348 PolarHBondContact O-NE2 2.93Å
345	L	97.9	Very high	95.7	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	19%	0.194	C	C	.	.	H	α-helix	trans	-73	-46.4	177.5	-177.6	59.5	0	0	0	111.7	L291 I304 S341 Y342 A343 K347 Q348 M349 V357 P359 F362	L291-L345 HydrophobicContact CD2-CD1 4.06Å; I304-L345 HydrophobicContact CD1-CD2 3.94Å; I304-L345 HydrophobicContact CG2-CD2 4.04Å; S341-L345 WeakPolarHBondContact O-CB 3.39Å; S341-L345 PolarHBondContact O-N 3.24Å; Y342-L345 WeakPolarHBondContact O-CB 3.48Å; Y342-L345 PolarHBondContact O-N 2.94Å; Y342-L345 VanDerWaalsContact O-N 3.08Å; A343-L345 VanDerWaalsContact C-N 3.31Å; A343-L345 PolarHBondContact O-N 2.77Å; L345-K347 VanDerWaalsContact C-N 3.33Å; L345-K347 PolarHBondContact O-N 2.74Å; L345-Q348 WeakPolarHBondContact O-CB 3.37Å; L345-Q348 PolarHBondContact O-N 3.29Å; L345-M349 HydrophobicContact CD1-CG 4.45Å; L345-M349 HydrophobicContact CD1-SD 4.39Å; L345-M349 HydrophobicContact CG-SD 4.06Å; L345-M349 WeakPolarHBondContact O-CG 3.35Å; L345-M349 PolarHBondContact O-N 3.01Å; L345-V357 HydrophobicContact CD1-CG2 3.69Å; L345-P359 HydrophobicContact CD1-CB 4.12Å; L345-P359 HydrophobicContact CD2-CB 3.91Å; L345-F362 HydrophobicContact CD2-CB 4.17Å; L345-F362 HydrophobicContact CD2-CD1 4.24Å; L345-F362 HydrophobicContact CD2-CG 4.19Å
346	I	98.3	Very high	95.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-43.7	175.6	-68.1	-55.3	0	0	0	111.1	T314 F317 L318 Y342 Q348 M349 W350	T314-I346 HydrophobicContact CG2-CG2 4.01Å; F317-I346 HydrophobicContact CB-CG2 4.34Å; L318-I346 HydrophobicContact CD2-CG2 4.21Å; L318-I346 HydrophobicContact CG-CG2 4.38Å; Y342-I346 HydrophobicContact CD1-CG1 3.98Å; Y342-I346 HydrophobicContact CE1-CD1 4.19Å; Y342-I346 HydrophobicContact CE1-CG1 3.51Å; Y342-I346 HydrophobicContact CE2-CD1 4.18Å; Y342-I346 HydrophobicContact CE2-CG1 4.12Å; Y342-I346 HydrophobicContact CG-CG1 4.46Å; Y342-I346 WeakPolarHBondContact O-CG1 3.46Å; Y342-I346 PolarHBondContact O-N 2.91Å; I346-Q348 PolarHBondContact O-N 3.13Å; I346-M349 HydrophobicContact CD1-SD 4.4Å; I346-M349 PolarHBondContact O-N 3.4Å; I346-W350 PolarHBondContact O-N 2.86Å
347	K	98.1	Very high	95.7	Very high	61 Å²	61	41.7 Å²	41.7	27%	0.265	20%	0.2	S	C	.	.	H	α-helix	trans	-61.8	-28.5	174.6	-75.4	174.3	-179.9	-174.8	0	113.7	F317 L318 D320 Y322 A343 L345 S351	F317-K347 WeakPolarHBondContact O-CE 3.29Å; L318-K347 HydrophobicContact CD2-CG 3.95Å; D320-K347 IonicContact OD1-NZ 3.6Å; D320-K347 PolarHBondContact OD1-NZ 3.46Å; D320-K347 IonicContact OD2-NZ 3.21Å; D320-K347 PolarHBondContact OD2-NZ 3.27Å; Y322-K347 PolarHBondContact OH-NZ 3.25Å; Y322-K347 VanDerWaalsContact OH-NZ 3.08Å; A343-K347 WeakPolarHBondContact O-CB 3.27Å; A343-K347 VanDerWaalsContact O-CG 3.25Å; A343-K347 WeakPolarHBondContact O-CG 3.42Å; A343-K347 PolarHBondContact O-N 3.27Å; L345-K347 VanDerWaalsContact C-N 3.33Å; L345-K347 PolarHBondContact O-N 2.74Å; K347-S351 WeakPolarHBondContact O-CB 3.36Å; K347-S351 PolarHBondContact O-N 3.21Å
348	Q	97.2	Very high	95.7	Very high	80 Å²	80	42.1 Å²	42.1	37%	0.374	21%	0.206	S	C	.	.	H	α-helix	trans	-74.8	-49.6	172.6	-74.8	165.4	71.7	0	0	111.2	E344 L345 I346 W350 S351 F354 V357	E344-Q348 WeakPolarHBondContact O-CG 3.26Å; E344-Q348 PolarHBondContact O-N 3.18Å; E344-Q348 PolarHBondContact O-NE2 2.93Å; L345-Q348 WeakPolarHBondContact O-CB 3.37Å; L345-Q348 PolarHBondContact O-N 3.29Å; I346-Q348 PolarHBondContact O-N 3.13Å; Q348-W350 VanDerWaalsContact C-N 3.3Å; Q348-W350 PolarHBondContact O-N 3.07Å; Q348-S351 VanDerWaalsContact O-CB 3.32Å; Q348-S351 WeakPolarHBondContact O-CB 3.32Å; Q348-S351 PolarHBondContact O-N 3.08Å; Q348-S351 VanDerWaalsContact O-N 3.12Å; Q348-S351 PolarHBondContact O-OG 3.34Å; Q348-F354 HydrophobicContact CB-CD2 4.45Å; Q348-F354 HydrophobicContact CB-CE2 4.46Å; Q348-F354 HydrophobicContact CG-CE2 4.43Å; Q348-V357 HydrophobicContact CB-CG1 4.24Å
349	M	97.6	Very high	95.6	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-61.8	-35.1	-178.9	-65.1	172.6	78.1	0	0	113.1	G287 C289 L291 I304 L345 I346 V357	G287-M349 PolarHBondContact N-O 2.77Å; G287-M349 VanDerWaalsContact N-O 3.13Å; C289-M349 HydrophobicContact CB-CB 3.91Å; C289-M349 HydrophobicContact CB-CG 4.18Å; C289-M349 WeakPolarHBondContact CB-O 3.44Å; L291-M349 HydrophobicContact CD1-CE 4Å; L291-M349 HydrophobicContact CD1-SD 4.41Å; L291-M349 HydrophobicContact CD2-CE 4.13Å; L291-M349 HydrophobicContact CD2-CG 4.4Å; L291-M349 HydrophobicContact CD2-SD 3.96Å; L291-M349 HydrophobicContact CG-CE 4.04Å; L291-M349 HydrophobicContact CG-SD 4.48Å; I304-M349 HydrophobicContact CG2-CE 4.3Å; I304-M349 HydrophobicContact CG2-SD 3.93Å; L345-M349 HydrophobicContact CD1-CG 4.45Å; L345-M349 HydrophobicContact CD1-SD 4.39Å; L345-M349 HydrophobicContact CG-SD 4.06Å; L345-M349 WeakPolarHBondContact O-CG 3.35Å; L345-M349 PolarHBondContact O-N 3.01Å; I346-M349 HydrophobicContact CD1-SD 4.4Å; I346-M349 PolarHBondContact O-N 3.4Å; M349-V357 HydrophobicContact CG-CG2 4.14Å
350	W	97.5	Very high	95	Very high	17 Å²	17	48.5 Å²	48.5	6%	0.064	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	13.4	177.9	-68	84.2	0	0	0	113.7	P286 S308 T314 L318 I346 Q348 K899	P286-W350 HydrophobicContact CB-CE3 3.71Å; P286-W350 HydrophobicContact CB-CZ3 4.31Å; P286-W350 WeakPolarHBondContact O-CZ3 3.46Å; S308-W350 WeakPolarHBondContact O-CZ2 3.43Å; S308-W350 PolarHBondContact O-NE1 3.22Å; S308-W350 PolarHBondContact OG-NE1 3.05Å; T314-W350 HydrophobicContact CG2-CD2 3.93Å; T314-W350 HydrophobicContact CG2-CG 4.02Å; T314-W350 HydrophobicContact CG2-CZ2 4.32Å; L318-W350 HydrophobicContact CD1-CB 3.77Å; L318-W350 HydrophobicContact CD1-CD2 4.46Å; L318-W350 HydrophobicContact CD1-CG 4.05Å; L318-W350 HydrophobicContact CD2-CB 3.94Å; L318-W350 HydrophobicContact CG-CB 4.46Å; I346-W350 PolarHBondContact O-N 2.86Å; Q348-W350 VanDerWaalsContact C-N 3.3Å; Q348-W350 PolarHBondContact O-N 3.07Å; W350-K899 HydrophobicContact CH2-CD 3.92Å; W350-K899 HydrophobicContact CH2-CG 3.82Å; W350-K899 HydrophobicContact CZ3-CD 4Å; W350-K899 HydrophobicContact CZ3-CG 3.91Å
351	S	95.7	Very high	94.5	Very high	44 Å²	44	48.6 Å²	48.6	31%	0.308	24%	0.243	S	C	.	.	S	Bend	trans	-79.1	-18.7	177.1	68.2	0	0	0	0	114.8	K347 Q348 K353	K347-S351 WeakPolarHBondContact O-CB 3.36Å; K347-S351 PolarHBondContact O-N 3.21Å; Q348-S351 VanDerWaalsContact O-CB 3.32Å; Q348-S351 WeakPolarHBondContact O-CB 3.32Å; Q348-S351 PolarHBondContact O-N 3.08Å; Q348-S351 VanDerWaalsContact O-N 3.12Å; Q348-S351 PolarHBondContact O-OG 3.34Å; S351-K353 PolarHBondContact O-N 2.72Å; S351-K353 WeakPolarHBondContact OG-CB 3.45Å; S351-K353 PolarHBondContact OG-N 2.69Å
352	G	92.4	Very high	94.3	Very high	12 Å²	12	48.2 Å²	48.2	12%	0.124	24%	0.24	C	C	.	.	S	Bend	trans	67.6	13.7	-171.1	0	0	0	0	0	115.2	E284	E284-G352 PolarHBondContact N-O 3.24Å; E284-G352 VanDerWaalsContact N-O 3.09Å; E284-G352 CarbonylContact O-C 3.57Å; E284-G352 WeakPolarHBondContact O-CA 3.38Å
353	K	92.3	Very high	93.9	Very high	154 Å²	154	49.3 Å²	49.3	67%	0.67	25%	0.245	S	C	*	.	S	Bend	trans	-103.1	-8.8	-176.7	-60	-178.3	-179.1	-178	0	114.9	S351	S351-K353 PolarHBondContact O-N 2.72Å; S351-K353 WeakPolarHBondContact OG-CB 3.45Å; S351-K353 PolarHBondContact OG-N 2.69Å
354	F	91.1	Very high	93.3	Very high	90 Å²	90	53.7 Å²	53.7	40%	0.395	27%	0.272	S	S	.	.			trans	-140.7	125.3	-168.9	-53.8	-66.8	0	0	0	110.2	C289 Q348 Y356 V357	C289-F354 PolarHBondContact SG-O 2.73Å; Q348-F354 HydrophobicContact CB-CD2 4.45Å; Q348-F354 HydrophobicContact CB-CE2 4.46Å; Q348-F354 HydrophobicContact CG-CE2 4.43Å; F354-Y356 VanDerWaalsContact C-N 3.32Å; F354-V357 HydrophobicContact CB-CG1 3.64Å; F354-V357 HydrophobicContact CD1-CG1 4.47Å; F354-V357 HydrophobicContact CD2-CG1 3.75Å; F354-V357 HydrophobicContact CG-CG1 3.71Å
355	S	88.4	Confident	92.9	Very high	50 Å²	50	50.5 Å²	50.5	35%	0.35	26%	0.257	S	S	.	.	S	Bend	trans	-70.5	-30.7	170	56.9	0	0	0	0	112.4	E284 C289 G290	E284-S355 VanDerWaalsContact CD-CB 3.44Å; E284-S355 WeakPolarHBondContact OE1-CB 3.48Å; E284-S355 WeakPolarHBondContact OE2-CA 3.45Å; E284-S355 WeakPolarHBondContact OE2-CB 3.18Å; C289-S355 CarbonylContact C-O 3.47Å; C289-S355 WeakPolarHBondContact CA-O 3.42Å; G290-S355 PolarHBondContact N-O 2.73Å
356	Y	93.6	Very high	92.5	Very high	121 Å²	121	50.2 Å²	50.2	48%	0.475	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	156.3	167.3	66.7	-87.4	0	0	0	111.1	G290 S292 F354	G290-Y356 CarbonylContact O-C 3.56Å; G290-Y356 WeakPolarHBondContact O-CA 3.34Å; G290-Y356 WeakPolarHBondContact O-CB 3.5Å; S292-Y356 WeakPolarHBondContact OG-CD2 3.49Å; F354-Y356 VanDerWaalsContact C-N 3.32Å
357	V	91.5	Very high	91.8	Very high	9 Å²	9	50.8 Å²	50.8	6%	0.055	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	160.5	170.6	-63.6	0	0	0	0	111.3	G290 L291 S292 L345 Q348 M349 F354 P359	G290-V357 PolarHBondContact O-N 3.47Å; L291-V357 WeakPolarHBondContact CA-O 3.41Å; L291-V357 HydrophobicContact CD2-CG2 3.68Å; S292-V357 PolarHBondContact N-O 2.91Å; S292-V357 PolarHBondContact OG-O 3.45Å; L345-V357 HydrophobicContact CD1-CG2 3.69Å; Q348-V357 HydrophobicContact CB-CG1 4.24Å; M349-V357 HydrophobicContact CG-CG2 4.14Å; F354-V357 HydrophobicContact CB-CG1 3.64Å; F354-V357 HydrophobicContact CD1-CG1 4.47Å; F354-V357 HydrophobicContact CD2-CG1 3.75Å; F354-V357 HydrophobicContact CG-CG1 3.71Å; V357-P359 WeakPolarHBondContact O-CD 3.12Å
358	T	94.6	Very high	91	Very high	61 Å²	61	51.3 Å²	51.3	37%	0.374	26%	0.262	S	S	.	.			trans	-107.5	104.3	-178.8	-54	0	0	0	0	109.3	S292 L294 R360	S292-T358 PolarHBondContact OG-OG1 2.77Å; L294-T358 HydrophobicContact CD2-CG2 3.7Å; L294-T358 HydrophobicContact CG-CG2 4.46Å; T358-R360 HydrophobicContact CG2-CG 3.74Å; T358-R360 PolarHBondContact O-N 3.36Å
359	P	93.4	Very high	90.3	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.026	25%	0.253	C	S	.	.			trans	-76.6	44.2	-166.8	31.7	-37.9	0	0	0	114.7	L291 L294 M300 L345 V357 A361 F362 K363	L291-P359 HydrophobicContact CB-CG 4.45Å; L291-P359 HydrophobicContact CD2-CB 4.38Å; L291-P359 HydrophobicContact CD2-CG 4.27Å; L294-P359 HydrophobicContact CD1-CG 4.49Å; M300-P359 HydrophobicContact CE-CB 4.18Å; M300-P359 HydrophobicContact CE-CG 3.63Å; L345-P359 HydrophobicContact CD1-CB 4.12Å; L345-P359 HydrophobicContact CD2-CB 3.91Å; V357-P359 WeakPolarHBondContact O-CD 3.12Å; P359-A361 PolarHBondContact O-N 3.47Å; P359-F362 PolarHBondContact O-N 3.38Å; P359-K363 WeakPolarHBondContact O-CB 3.36Å; P359-K363 PolarHBondContact O-N 2.88Å
360	R	85.9	Confident	89.7	Confident	129 Å²	129	49.6 Å²	49.6	49%	0.487	25%	0.254	S	S	.	.	H	α-helix	trans	-58.9	-49.6	-175.7	-62.6	-172.2	-179.2	-93.2	-7.2	112.6	L294 T358 F362 K363 T364	L294-R360 HydrophobicContact CD1-CG 4.17Å; L294-R360 HydrophobicContact CD2-CG 4.05Å; T358-R360 HydrophobicContact CG2-CG 3.74Å; T358-R360 PolarHBondContact O-N 3.36Å; R360-F362 VanDerWaalsContact C-N 3.31Å; R360-F362 PolarHBondContact O-N 2.94Å; R360-K363 PolarHBondContact O-N 2.67Å; R360-T364 WeakPolarHBondContact O-CB 3.35Å; R360-T364 PolarHBondContact O-N 3.41Å; R360-T364 PolarHBondContact O-OG1 3.09Å; R360-T364 VanDerWaalsContact O-OG1 3.09Å
361	A	86.4	Confident	88.8	Confident	63 Å²	63	52.8 Å²	52.8	52%	0.521	28%	0.276	S	S	.	.	H	α-helix	trans	-58.3	-44.7	-179	0	0	0	0	0	111.6	P359 T364 Q365	P359-A361 PolarHBondContact O-N 3.47Å; A361-T364 PolarHBondContact O-N 2.93Å; A361-Q365 WeakPolarHBondContact O-CG 3.44Å; A361-Q365 PolarHBondContact O-N 2.86Å; A361-Q365 VanDerWaalsContact O-N 3.11Å
362	F	93.8	Very high	88	Confident	3 Å²	3	55.3 Å²	55.3	1%	0.013	28%	0.283	C	S	.	.	H	α-helix	trans	-65.7	-49.7	177.1	-171.8	-109.5	0	0	0	112.2	M300 I304 Y342 L345 P359 R360 T364 Q365 V366 L388	M300-F362 HydrophobicContact SD-CD1 4.17Å; I304-F362 HydrophobicContact CD1-CD1 3.73Å; I304-F362 HydrophobicContact CD1-CE1 3.67Å; I304-F362 HydrophobicContact CG1-CD1 4.45Å; I304-F362 HydrophobicContact CG1-CE1 3.92Å; Y342-F362 HydrophobicContact CD2-CE2 4.03Å; Y342-F362 HydrophobicContact CD2-CZ 4.03Å; Y342-F362 HydrophobicContact CG-CE2 4.46Å; L345-F362 HydrophobicContact CD2-CB 4.17Å; L345-F362 HydrophobicContact CD2-CD1 4.24Å; L345-F362 HydrophobicContact CD2-CG 4.19Å; P359-F362 PolarHBondContact O-N 3.38Å; R360-F362 VanDerWaalsContact C-N 3.31Å; R360-F362 PolarHBondContact O-N 2.94Å; F362-T364 PolarHBondContact O-N 3.49Å; F362-Q365 PolarHBondContact O-N 3.31Å; F362-V366 HydrophobicContact CD1-CG2 4.03Å; F362-V366 HydrophobicContact CD2-CG2 4.46Å; F362-V366 HydrophobicContact CE1-CG2 3.74Å; F362-V366 HydrophobicContact CE2-CG2 4.19Å; F362-V366 HydrophobicContact CG-CG2 4.39Å; F362-V366 HydrophobicContact CZ-CG2 3.85Å; F362-V366 WeakPolarHBondContact O-CG2 3.39Å; F362-V366 PolarHBondContact O-N 2.84Å; F362-L388 HydrophobicContact CE1-CD1 4.25Å; F362-L388 HydrophobicContact CE1-CD2 4.3Å; F362-L388 HydrophobicContact CE2-CD2 4.39Å; F362-L388 HydrophobicContact CZ-CD1 4.01Å; F362-L388 HydrophobicContact CZ-CD2 3.57Å; F362-L388 HydrophobicContact CZ-CG 4.46Å
363	K	90.4	Very high	87.7	Confident	22 Å²	22	54.9 Å²	54.9	10%	0.096	28%	0.278	C	S	.	.	H	α-helix	trans	-54.9	-37.9	175.1	179	62.4	164.7	81.5	0	112.2	L294 T297 M300 P359 R360 G367 F373 S374	L294-K363 HydrophobicContact CD1-CB 3.94Å; L294-K363 HydrophobicContact CD1-CG 4.13Å; T297-K363 HydrophobicContact CG2-CD 4.18Å; T297-K363 VanDerWaalsContact CG2-CE 3.42Å; M300-K363 HydrophobicContact CE-CB 4.21Å; M300-K363 HydrophobicContact CE-CD 4.44Å; M300-K363 HydrophobicContact SD-CB 4.08Å; M300-K363 HydrophobicContact SD-CD 3.81Å; P359-K363 WeakPolarHBondContact O-CB 3.36Å; P359-K363 PolarHBondContact O-N 2.88Å; R360-K363 PolarHBondContact O-N 2.67Å; K363-G367 PolarHBondContact O-N 3.46Å; K363-F373 PolarHBondContact NZ-O 2.88Å; K363-S374 PolarHBondContact NZ-O 2.73Å
364	T	86.5	Confident	86.8	Confident	93 Å²	93	50.6 Å²	50.6	57%	0.571	27%	0.268	S	S	*	.	H	α-helix	trans	-67.9	-42.6	176.3	-63.8	0	0	0	0	112.2	R360 A361 F362 R368	R360-T364 WeakPolarHBondContact O-CB 3.35Å; R360-T364 PolarHBondContact O-N 3.41Å; R360-T364 PolarHBondContact O-OG1 3.09Å; R360-T364 VanDerWaalsContact O-OG1 3.09Å; A361-T364 PolarHBondContact O-N 2.93Å; F362-T364 PolarHBondContact O-N 3.49Å; T364-R368 WeakPolarHBondContact O-CB 3.45Å; T364-R368 PolarHBondContact O-N 2.87Å
365	Q	88.2	Confident	85.8	Confident	38 Å²	38	47.6 Å²	47.6	18%	0.178	26%	0.262	C	S	.	.	H	α-helix	trans	-68.3	-44.1	175	-58.5	-60.4	-8.2	0	0	111.6	I338 A361 F362 G367 R368 F369	I338-Q365 HydrophobicContact CD1-CB 3.96Å; A361-Q365 WeakPolarHBondContact O-CG 3.44Å; A361-Q365 PolarHBondContact O-N 2.86Å; A361-Q365 VanDerWaalsContact O-N 3.11Å; F362-Q365 PolarHBondContact O-N 3.31Å; Q365-G367 PolarHBondContact O-N 3.17Å; Q365-R368 WeakPolarHBondContact O-CB 3.37Å; Q365-R368 PolarHBondContact O-N 3.35Å; Q365-R368 VanDerWaalsContact O-N 3.14Å; Q365-F369 VanDerWaalsContact O-CD2 3.28Å; Q365-F369 WeakPolarHBondContact O-CD2 3.3Å; Q365-F369 PolarHBondContact O-N 2.86Å
366	V	90.1	Very high	84.9	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-56.3	-51.9	175.5	171.7	0	0	0	0	110.8	I338 F362 R368 F369 A370 F373 L384 F387 L388	I338-V366 HydrophobicContact CD1-CG2 4.31Å; F362-V366 HydrophobicContact CD1-CG2 4.03Å; F362-V366 HydrophobicContact CD2-CG2 4.46Å; F362-V366 HydrophobicContact CE1-CG2 3.74Å; F362-V366 HydrophobicContact CE2-CG2 4.19Å; F362-V366 HydrophobicContact CG-CG2 4.39Å; F362-V366 HydrophobicContact CZ-CG2 3.85Å; F362-V366 WeakPolarHBondContact O-CG2 3.39Å; F362-V366 PolarHBondContact O-N 2.84Å; V366-R368 VanDerWaalsContact C-N 3.25Å; V366-R368 PolarHBondContact O-N 2.74Å; V366-F369 PolarHBondContact O-N 3.41Å; V366-A370 WeakPolarHBondContact O-CA 3.48Å; V366-A370 PolarHBondContact O-N 3.45Å; V366-F373 HydrophobicContact CG1-CB 3.91Å; V366-F373 HydrophobicContact CG1-CD2 3.99Å; V366-F373 HydrophobicContact CG1-CG 4.33Å; V366-L384 HydrophobicContact CG1-CD1 3.78Å; V366-F387 HydrophobicContact CG1-CD1 4.5Å; V366-F387 HydrophobicContact CG1-CE1 4.09Å; V366-F387 HydrophobicContact CG2-CE1 4.38Å; V366-L388 HydrophobicContact CG2-CD2 4.13Å
367	G	83.1	Confident	83.8	Confident	13 Å²	13	51.3 Å²	51.3	13%	0.134	27%	0.274	C	S	.	.	H	α-helix	trans	-66.8	-21	178.4	0	0	0	0	0	114.9	K363 Q365 P371	K363-G367 PolarHBondContact O-N 3.46Å; Q365-G367 PolarHBondContact O-N 3.17Å; G367-P371 WeakPolarHBondContact O-CA 3.4Å
368	R	81.3	Confident	82.8	Confident	72 Å²	72	54.1 Å²	54.1	27%	0.272	29%	0.286	S	S	.	.	H	α-helix	trans	-78.7	-39	176.5	174.3	-172.3	-176.4	-148.9	1.5	112.3	M122 F123 E337 T364 Q365 V366	M122-R368 HydrophobicContact SD-CG 4.49Å; F123-R368 HydrophobicContact CE2-CG 3.91Å; F123-R368 WeakPolarHBondContact CE2-O 3.46Å; F123-R368 HydrophobicContact CZ-CG 4.04Å; E337-R368 IonicContact OE2-NH1 2.67Å; T364-R368 WeakPolarHBondContact O-CB 3.45Å; T364-R368 PolarHBondContact O-N 2.87Å; Q365-R368 WeakPolarHBondContact O-CB 3.37Å; Q365-R368 PolarHBondContact O-N 3.35Å; Q365-R368 VanDerWaalsContact O-N 3.14Å; V366-R368 VanDerWaalsContact C-N 3.25Å; V366-R368 PolarHBondContact O-N 2.74Å
369	F	81.7	Confident	82.4	Confident	43 Å²	43	53.2 Å²	53.2	19%	0.189	28%	0.278	C	S	.	.	H	α-helix	trans	-93.8	-28.5	-179.6	-70.1	-76.1	0	0	0	113.5	F123 M334 R335 E337 I338 Q365 V366 F387	F123-F369 HydrophobicContact CE2-CD1 4.02Å; F123-F369 HydrophobicContact CE2-CE1 4.05Å; F123-F369 HydrophobicContact CZ-CE1 4.2Å; M334-F369 HydrophobicContact CB-CD1 3.8Å; M334-F369 HydrophobicContact CB-CD2 3.97Å; M334-F369 HydrophobicContact CB-CE1 3.73Å; M334-F369 HydrophobicContact CB-CE2 3.94Å; M334-F369 HydrophobicContact CB-CG 3.92Å; M334-F369 HydrophobicContact CB-CZ 3.81Å; M334-F369 HydrophobicContact CG-CB 3.95Å; M334-F369 HydrophobicContact CG-CD1 3.67Å; M334-F369 HydrophobicContact CG-CD2 4.09Å; M334-F369 HydrophobicContact CG-CE1 4.13Å; M334-F369 HydrophobicContact CG-CG 3.64Å; M334-F369 WeakPolarHBondContact O-CZ 3.49Å; R335-F369 VanDerWaalsContact NH2-CE1 3.32Å; E337-F369 HydrophobicContact CB-CE2 3.84Å; E337-F369 HydrophobicContact CB-CZ 4.16Å; E337-F369 HydrophobicContact CG-CE2 4.43Å; E337-F369 HydrophobicContact CG-CZ 4.32Å; I338-F369 HydrophobicContact CD1-CD2 4.09Å; I338-F369 HydrophobicContact CG1-CD2 4.22Å; Q365-F369 VanDerWaalsContact O-CD2 3.28Å; Q365-F369 WeakPolarHBondContact O-CD2 3.3Å; Q365-F369 PolarHBondContact O-N 2.86Å; V366-F369 PolarHBondContact O-N 3.41Å; F369-F387 HydrophobicContact CB-CZ 4.09Å
370	A	85.3	Confident	82.2	Confident	3 Å²	3	53.7 Å²	53.7	3%	0.025	28%	0.28	C	S	.	.			trans	-124.9	83.7	174.2	0	0	0	0	0	110.5	V366 Q372 F373 F387	V366-A370 WeakPolarHBondContact O-CA 3.48Å; V366-A370 PolarHBondContact O-N 3.45Å; A370-Q372 PolarHBondContact O-N 3.3Å; A370-F373 HydrophobicContact CB-CD2 3.54Å; A370-F373 HydrophobicContact CB-CE2 3.91Å; A370-F373 PolarHBondContact O-N 3.02Å; A370-F387 HydrophobicContact CB-CD1 4.19Å; A370-F387 HydrophobicContact CB-CD2 3.85Å; A370-F387 HydrophobicContact CB-CE1 3.96Å; A370-F387 HydrophobicContact CB-CE2 3.58Å; A370-F387 HydrophobicContact CB-CG 4.15Å; A370-F387 HydrophobicContact CB-CZ 3.64Å
371	P	80.1	Confident	82.5	Confident	83 Å²	83	47.6 Å²	47.6	54%	0.539	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-60.2	-18.4	-173.8	-26.9	36.9	0	0	0	115.7	G367 F373 S374	G367-P371 WeakPolarHBondContact O-CA 3.4Å; P371-F373 PolarHBondContact O-N 2.85Å; P371-S374 VanDerWaalsContact O-CB 3.22Å; P371-S374 WeakPolarHBondContact O-CB 3.36Å; P371-S374 PolarHBondContact O-N 3.18Å; P371-S374 PolarHBondContact O-OG 3.47Å
372	Q	78.9	Confident	82.9	Confident	98 Å²	98	46 Å²	46	46%	0.458	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-58.8	-36.2	170.8	66.6	-82.4	26.4	0	0	111.9	A370 S374 Q379	A370-Q372 PolarHBondContact O-N 3.3Å; Q372-S374 VanDerWaalsContact C-N 3.3Å; Q372-S374 PolarHBondContact O-N 2.94Å; Q372-Q379 PolarHBondContact O-NE2 3.03Å
373	F	85.3	Confident	82.8	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.013	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-87.5	8.9	176.1	-49.1	-53.5	0	0	0	113.2	F299 K363 V366 A370 P371 Q379 E383 L384 F387	F299-F373 AromaticContact CE2-CD1 3.85Å; F299-F373 HydrophobicContact CE2-CD1 3.85Å; F299-F373 HydrophobicContact CE2-CE1 4.4Å; F299-F373 HydrophobicContact CE2-CG 4.45Å; F299-F373 HydrophobicContact CZ-CB 4.49Å; F299-F373 HydrophobicContact CZ-CD1 4.2Å; K363-F373 PolarHBondContact NZ-O 2.88Å; V366-F373 HydrophobicContact CG1-CB 3.91Å; V366-F373 HydrophobicContact CG1-CD2 3.99Å; V366-F373 HydrophobicContact CG1-CG 4.33Å; A370-F373 HydrophobicContact CB-CD2 3.54Å; A370-F373 HydrophobicContact CB-CE2 3.91Å; A370-F373 PolarHBondContact O-N 3.02Å; P371-F373 PolarHBondContact O-N 2.85Å; F373-Q379 HydrophobicContact CD1-CB 4.19Å; F373-Q379 HydrophobicContact CD1-CG 4.12Å; F373-Q379 HydrophobicContact CE1-CB 4.39Å; F373-E383 HydrophobicContact CE1-CB 4.3Å; F373-E383 HydrophobicContact CZ-CB 4.06Å; F373-L384 HydrophobicContact CD2-CD1 3.76Å; F373-L384 HydrophobicContact CE1-CB 4.23Å; F373-L384 HydrophobicContact CE2-CB 4.46Å; F373-L384 HydrophobicContact CE2-CD1 3.88Å; F373-L384 HydrophobicContact CG-CD1 4.15Å; F373-L384 HydrophobicContact CZ-CB 4.1Å; F373-L384 HydrophobicContact CZ-CD1 4.34Å; F373-F387 HydrophobicContact CD2-CD1 4.36Å; F373-F387 HydrophobicContact CE2-CB 3.94Å; F373-F387 HydrophobicContact CE2-CD1 4.12Å; F373-F387 HydrophobicContact CE2-CG 4.05Å
374	S	72.7	Confident	83	Confident	64 Å²	64	49 Å²	49	45%	0.448	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-44.3	-179.1	66.5	0	0	0	0	113.1	K363 P371 Q372	K363-S374 PolarHBondContact NZ-O 2.73Å; P371-S374 VanDerWaalsContact O-CB 3.22Å; P371-S374 WeakPolarHBondContact O-CB 3.36Å; P371-S374 PolarHBondContact O-N 3.18Å; P371-S374 PolarHBondContact O-OG 3.47Å; Q372-S374 VanDerWaalsContact C-N 3.3Å; Q372-S374 PolarHBondContact O-N 2.94Å
375	G	71.2	Confident	83.5	Confident	26 Å²	26	44.8 Å²	44.8	27%	0.268	23%	0.228	S	C	.	.	S	Bend	trans	-75.5	-173.7	-174.3	0	0	0	0	0	115.4
376	Y	68.7	Low	83.8	Confident	112 Å²	112	44 Å²	44	44%	0.439	23%	0.227	S	C	.	.	S	Bend	trans	-102.1	24.1	177.8	-51.4	-74.2	0	0	0	112.7	Y204 L294 N296	Y204-Y376 HydrophobicContact CE1-CE2 4.42Å; Y204-Y376 WeakPolarHBondContact CE1-OH 3.47Å; L294-Y376 VanDerWaalsContact O-CE1 3.31Å; L294-Y376 WeakPolarHBondContact O-CE1 3.46Å; N296-Y376 WeakPolarHBondContact CB-O 3.43Å; N296-Y376 PolarHBondContact ND2-O 3.22Å
377	Q	70.1	Confident	84.1	Confident	138 Å²	138	45.2 Å²	45.2	65%	0.645	23%	0.233	S	C	*	.	S	Bend	trans	-78	151.5	170.5	-64.6	-179.4	90.1	0	0	109
378	Q	71.4	Confident	84.8	Confident	67 Å²	67	44.6 Å²	44.6	31%	0.313	23%	0.226	S	C	.	.			trans	-70.7	142.2	167.1	-62	-166.3	-17.2	0	0	109.6	N296 G890	N296-Q378 HydrophobicContact CB-CG 3.95Å; N296-Q378 WeakPolarHBondContact OD1-CG 3.35Å; N296-Q378 PolarHBondContact OD1-NE2 3.48Å; Q378-G890 PolarHBondContact NE2-O 3.39Å; Q378-G890 PolarHBondContact OE1-O 3.07Å
379	Q	86.3	Confident	85.5	Confident	42 Å²	42	41.3 Å²	41.3	20%	0.196	21%	0.214	C	C	.	.			trans	-135.6	166.3	-173.5	-60.3	-65.6	7.8	0	0	110.7	F299 Q372 F373 Y892	F299-Q379 HydrophobicContact CD1-CB 4.07Å; F299-Q379 HydrophobicContact CD2-CB 3.96Å; F299-Q379 HydrophobicContact CE1-CB 3.9Å; F299-Q379 HydrophobicContact CE1-CG 4.08Å; F299-Q379 HydrophobicContact CE2-CB 3.79Å; F299-Q379 HydrophobicContact CE2-CG 4.38Å; F299-Q379 HydrophobicContact CG-CB 4.11Å; F299-Q379 HydrophobicContact CZ-CB 3.76Å; F299-Q379 HydrophobicContact CZ-CG 3.92Å; Q372-Q379 PolarHBondContact O-NE2 3.03Å; F373-Q379 HydrophobicContact CD1-CB 4.19Å; F373-Q379 HydrophobicContact CD1-CG 4.12Å; F373-Q379 HydrophobicContact CE1-CB 4.39Å; Q379-Y892 VanDerWaalsContact O-CE2 3.28Å; Q379-Y892 WeakPolarHBondContact O-CE2 3.27Å; Q379-Y892 PolarHBondContact O-OH 2.93Å
380	D	89.4	Confident	86.1	Confident	15 Å²	15	43.5 Å²	43.5	8%	0.08	23%	0.228	C	C	.	.			trans	-78	128.2	176.9	-159.5	-43.9	0	0	0	111.4	Q382 E383 L384 Y926	D380-Q382 VanDerWaalsContact C-N 3.27Å; D380-Q382 PolarHBondContact O-N 2.83Å; D380-Q382 WeakPolarHBondContact OD1-CB 3.47Å; D380-Q382 PolarHBondContact OD1-N 2.78Å; D380-E383 HydrophobicContact CB-CB 4.09Å; D380-E383 HydrophobicContact CB-CG 3.89Å; D380-E383 PolarHBondContact O-N 3.28Å; D380-L384 PolarHBondContact O-N 3.31Å; D380-Y926 WeakPolarHBondContact OD1-CE1 3.21Å; D380-Y926 PolarHBondContact OD1-OH 3.5Å; D380-Y926 PolarHBondContact OD2-OH 2.9Å
381	C	92.6	Very high	86.6	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-33.2	174.7	-173.5	0	0	0	0	111.9	F299 L384 L385 S881 Y892 Y926	F299-C381 HydrophobicContact CB-CB 4.28Å; F299-C381 PolarHBondContact O-SG 3.09Å; C381-L384 PolarHBondContact O-N 3.16Å; C381-L385 WeakPolarHBondContact O-CB 3.38Å; C381-L385 WeakPolarHBondContact O-CG 2.91Å; C381-L385 PolarHBondContact O-N 3.08Å; C381-S881 PolarHBondContact SG-OG 3.22Å; C381-S881 VanDerWaalsContact SG-OG 3.41Å; C381-Y892 HydrophobicContact CB-CD1 3.69Å; C381-Y892 HydrophobicContact CB-CE1 3.35Å; C381-Y892 HydrophobicContact CB-CG 4.45Å; C381-Y892 PolarHBondContact N-OH 3.1Å; C381-Y926 HydrophobicContact CB-CD1 4.5Å; C381-Y926 HydrophobicContact CB-CE1 4.35Å
382	Q	93.6	Very high	87.5	Confident	29 Å²	29	39.4 Å²	39.4	14%	0.136	20%	0.201	C	C	.	.	H	α-helix	trans	-71.3	-39.7	178.1	-172.2	-99.2	-90.5	0	0	112.4	D380 L384 L385 A386 Y463 H834 Y926 V927	D380-Q382 VanDerWaalsContact C-N 3.27Å; D380-Q382 PolarHBondContact O-N 2.83Å; D380-Q382 WeakPolarHBondContact OD1-CB 3.47Å; D380-Q382 PolarHBondContact OD1-N 2.78Å; Q382-L384 VanDerWaalsContact C-N 3.28Å; Q382-L384 PolarHBondContact O-N 3.35Å; Q382-L385 PolarHBondContact O-N 2.95Å; Q382-A386 WeakPolarHBondContact O-CB 3.31Å; Q382-A386 PolarHBondContact O-N 3.4Å; Q382-Y463 PolarHBondContact NE2-OH 2.8Å; Q382-H834 HydrophobicContact CG-CB 3.99Å; Q382-H834 WeakPolarHBondContact CG-ND1 3.38Å; Q382-H834 PolarHBondContact OE1-CE1 2.97Å; Q382-H834 PolarHBondContact OE1-ND1 2.71Å; Q382-Y926 HydrophobicContact CB-CE1 4.36Å; Q382-V927 HydrophobicContact CB-CG2 4.46Å
383	E	93	Very high	88.4	Confident	90 Å²	90	35.1 Å²	35.1	42%	0.421	18%	0.181	S	C	.	.	H	α-helix	trans	-61.3	-41.1	175.5	-73.9	-172.8	173.8	0	0	110.9	F373 D380 F387	F373-E383 HydrophobicContact CE1-CB 4.3Å; F373-E383 HydrophobicContact CZ-CB 4.06Å; D380-E383 HydrophobicContact CB-CB 4.09Å; D380-E383 HydrophobicContact CB-CG 3.89Å; D380-E383 PolarHBondContact O-N 3.28Å; E383-F387 PolarHBondContact O-N 2.81Å; E383-F387 VanDerWaalsContact O-N 3.08Å
384	L	94.8	Very high	89	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66	-45.6	173.7	-179.6	72.9	0	0	0	111.8	F299 M300 A303 V366 F373 D380 C381 Q382 A386 F387 L388	F299-L384 HydrophobicContact CD2-CB 4.1Å; F299-L384 HydrophobicContact CD2-CD2 3.87Å; F299-L384 HydrophobicContact CE2-CB 4.11Å; F299-L384 HydrophobicContact CE2-CD1 4.49Å; F299-L384 HydrophobicContact CE2-CD2 3.82Å; F299-L384 HydrophobicContact CE2-CG 4.36Å; M300-L384 HydrophobicContact CB-CD2 3.67Å; M300-L384 HydrophobicContact CG-CD2 3.7Å; A303-L384 HydrophobicContact CB-CD2 3.94Å; V366-L384 HydrophobicContact CG1-CD1 3.78Å; F373-L384 HydrophobicContact CD2-CD1 3.76Å; F373-L384 HydrophobicContact CE1-CB 4.23Å; F373-L384 HydrophobicContact CE2-CB 4.46Å; F373-L384 HydrophobicContact CE2-CD1 3.88Å; F373-L384 HydrophobicContact CG-CD1 4.15Å; F373-L384 HydrophobicContact CZ-CB 4.1Å; F373-L384 HydrophobicContact CZ-CD1 4.34Å; D380-L384 PolarHBondContact O-N 3.31Å; C381-L384 PolarHBondContact O-N 3.16Å; Q382-L384 VanDerWaalsContact C-N 3.28Å; Q382-L384 PolarHBondContact O-N 3.35Å; L384-A386 VanDerWaalsContact C-N 3.27Å; L384-A386 PolarHBondContact O-N 2.91Å; L384-F387 HydrophobicContact CD1-CD1 4.19Å; L384-F387 PolarHBondContact O-N 3.45Å; L384-F387 VanDerWaalsContact O-N 3.15Å; L384-L388 HydrophobicContact CD1-CD1 4.3Å; L384-L388 HydrophobicContact CD1-CD2 4.47Å; L384-L388 HydrophobicContact CD1-CG 4.11Å; L384-L388 HydrophobicContact CD2-CD1 4.23Å; L384-L388 HydrophobicContact CG-CD1 3.96Å; L384-L388 HydrophobicContact CG-CG 4.1Å; L384-L388 WeakPolarHBondContact O-CG 3.25Å; L384-L388 PolarHBondContact O-N 3.39Å
385	L	95.8	Very high	90.2	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-58.4	-40.3	177.7	-80.8	172.1	0	0	0	111.8	A303 L307 C381 Q382 L388 L389 V927 F929	A303-L385 HydrophobicContact CB-CD2 3.71Å; A303-L385 HydrophobicContact CB-CG 3.81Å; L307-L385 HydrophobicContact CD1-CD2 3.72Å; L307-L385 HydrophobicContact CD2-CD2 4.39Å; L307-L385 HydrophobicContact CG-CD2 3.89Å; C381-L385 WeakPolarHBondContact O-CB 3.38Å; C381-L385 WeakPolarHBondContact O-CG 2.91Å; C381-L385 PolarHBondContact O-N 3.08Å; Q382-L385 PolarHBondContact O-N 2.95Å; L385-L388 PolarHBondContact O-N 3.05Å; L385-L389 WeakPolarHBondContact O-CB 3.31Å; L385-L389 WeakPolarHBondContact O-CG 3.47Å; L385-L389 PolarHBondContact O-N 3.03Å; L385-V927 HydrophobicContact CD1-CB 4.4Å; L385-V927 HydrophobicContact CD1-CG1 4.12Å; L385-V927 HydrophobicContact CD1-CG2 4.32Å; L385-F929 HydrophobicContact CD1-CE2 4.03Å; L385-F929 HydrophobicContact CD1-CZ 4.01Å; L385-F929 HydrophobicContact CD2-CZ 3.97Å
386	A	94.4	Very high	91.4	Very high	20 Å²	20	31.1 Å²	31.1	17%	0.165	15%	0.148	C	C	.	.	H	α-helix	trans	-62.2	-46.8	174.2	0	0	0	0	0	111.8	Q382 L384 L388 L389 D390 Y463	Q382-A386 WeakPolarHBondContact O-CB 3.31Å; Q382-A386 PolarHBondContact O-N 3.4Å; L384-A386 VanDerWaalsContact C-N 3.27Å; L384-A386 PolarHBondContact O-N 2.91Å; A386-L388 VanDerWaalsContact C-N 3.34Å; A386-L388 PolarHBondContact O-N 2.82Å; A386-L389 PolarHBondContact O-N 3.36Å; A386-D390 WeakPolarHBondContact O-CB 3.33Å; A386-D390 PolarHBondContact O-N 3.27Å; A386-Y463 HydrophobicContact CB-CE1 3.75Å; A386-Y463 WeakPolarHBondContact CB-OH 3.47Å
387	F	96.2	Very high	92.8	Very high	28 Å²	28	25.8 Å²	25.8	12%	0.123	13%	0.127	C	C	.	.	H	α-helix	trans	-61.6	-38.6	175	168.5	-101.2	0	0	0	113	M334 I338 V366 F369 A370 F373 E383 L384 G391	M334-F387 HydrophobicContact CE-CE2 3.83Å; M334-F387 HydrophobicContact CE-CZ 4.37Å; I338-F387 HydrophobicContact CD1-CE1 4.39Å; I338-F387 HydrophobicContact CD1-CZ 4.33Å; V366-F387 HydrophobicContact CG1-CD1 4.5Å; V366-F387 HydrophobicContact CG1-CE1 4.09Å; V366-F387 HydrophobicContact CG2-CE1 4.38Å; F369-F387 HydrophobicContact CB-CZ 4.09Å; A370-F387 HydrophobicContact CB-CD1 4.19Å; A370-F387 HydrophobicContact CB-CD2 3.85Å; A370-F387 HydrophobicContact CB-CE1 3.96Å; A370-F387 HydrophobicContact CB-CE2 3.58Å; A370-F387 HydrophobicContact CB-CG 4.15Å; A370-F387 HydrophobicContact CB-CZ 3.64Å; F373-F387 HydrophobicContact CD2-CD1 4.36Å; F373-F387 HydrophobicContact CE2-CB 3.94Å; F373-F387 HydrophobicContact CE2-CD1 4.12Å; F373-F387 HydrophobicContact CE2-CG 4.05Å; E383-F387 PolarHBondContact O-N 2.81Å; E383-F387 VanDerWaalsContact O-N 3.08Å; L384-F387 HydrophobicContact CD1-CD1 4.19Å; L384-F387 PolarHBondContact O-N 3.45Å; L384-F387 VanDerWaalsContact O-N 3.15Å; F387-G391 PolarHBondContact O-N 3.24Å
388	L	97.2	Very high	94.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-73.3	-39.5	179.6	-69.1	-176.6	0	0	0	112.4	L307 I338 F362 V366 L384 L385 A386 L392	L307-L388 HydrophobicContact CD1-CB 4.38Å; L307-L388 HydrophobicContact CD1-CD1 4.25Å; I338-L388 HydrophobicContact CG2-CD2 4.42Å; F362-L388 HydrophobicContact CE1-CD1 4.25Å; F362-L388 HydrophobicContact CE1-CD2 4.3Å; F362-L388 HydrophobicContact CE2-CD2 4.39Å; F362-L388 HydrophobicContact CZ-CD1 4.01Å; F362-L388 HydrophobicContact CZ-CD2 3.57Å; F362-L388 HydrophobicContact CZ-CG 4.46Å; V366-L388 HydrophobicContact CG2-CD2 4.13Å; L384-L388 HydrophobicContact CD1-CD1 4.3Å; L384-L388 HydrophobicContact CD1-CD2 4.47Å; L384-L388 HydrophobicContact CD1-CG 4.11Å; L384-L388 HydrophobicContact CD2-CD1 4.23Å; L384-L388 HydrophobicContact CG-CD1 3.96Å; L384-L388 HydrophobicContact CG-CG 4.1Å; L384-L388 WeakPolarHBondContact O-CG 3.25Å; L384-L388 PolarHBondContact O-N 3.39Å; L385-L388 PolarHBondContact O-N 3.05Å; A386-L388 VanDerWaalsContact C-N 3.34Å; A386-L388 PolarHBondContact O-N 2.82Å; L388-L392 WeakPolarHBondContact O-CB 3.44Å; L388-L392 WeakPolarHBondContact O-CG 3.39Å; L388-L392 PolarHBondContact O-N 2.85Å
389	L	96.9	Very high	95.2	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.016	10%	0.1	C	C	.	.	H	α-helix	trans	-64.4	-45.8	174.5	-71.7	170.1	0	0	0	111.1	L307 L385 A386 H393 I434 F438 C462 Y463	L307-L389 HydrophobicContact CD2-CD2 4.19Å; L385-L389 WeakPolarHBondContact O-CB 3.31Å; L385-L389 WeakPolarHBondContact O-CG 3.47Å; L385-L389 PolarHBondContact O-N 3.03Å; A386-L389 PolarHBondContact O-N 3.36Å; L389-H393 VanDerWaalsContact O-CB 3.24Å; L389-H393 WeakPolarHBondContact O-CB 3.47Å; L389-H393 PolarHBondContact O-N 3.46Å; L389-I434 HydrophobicContact CB-CG2 4.48Å; L389-I434 HydrophobicContact CD2-CG2 4.21Å; L389-F438 HydrophobicContact CD2-CD1 4.32Å; L389-F438 HydrophobicContact CD2-CD2 3.72Å; L389-F438 HydrophobicContact CD2-CE1 4.35Å; L389-F438 HydrophobicContact CD2-CE2 3.76Å; L389-F438 HydrophobicContact CD2-CG 4Å; L389-F438 HydrophobicContact CD2-CZ 4.07Å; L389-C462 HydrophobicContact CD1-CB 4.44Å; L389-Y463 HydrophobicContact CD1-CD1 4.28Å
390	D	95.3	Very high	95.4	Very high	89 Å²	89	24.2 Å²	24.2	48%	0.476	11%	0.113	S	C	.	.	H	α-helix	trans	-64.9	-46.8	176.7	-173.2	67.5	0	0	0	112.1	A386 H393 E394	A386-D390 WeakPolarHBondContact O-CB 3.33Å; A386-D390 PolarHBondContact O-N 3.27Å; D390-H393 WeakPolarHBondContact O-CB 3.25Å; D390-H393 PolarHBondContact O-N 2.9Å; D390-H393 VanDerWaalsContact O-N 3.15Å; D390-E394 PolarHBondContact O-N 3.13Å
391	G	95.9	Very high	95.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.2	-39.6	179.6	0	0	0	0	0	113.8	M334 F387 D395	M334-G391 WeakPolarHBondContact SD-CA 3.46Å; F387-G391 PolarHBondContact O-N 3.24Å; G391-D395 VanDerWaalsContact O-CB 3.27Å; G391-D395 WeakPolarHBondContact O-CB 3.22Å; G391-D395 PolarHBondContact O-N 2.85Å
392	L	97.8	Very high	95.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.8	-32.6	171.4	-68.9	174.3	0	0	0	111.9	F317 I338 A339 Y342 L388 L396 I434	F317-L392 HydrophobicContact CZ-CD2 4.26Å; I338-L392 HydrophobicContact CG2-CD2 4.11Å; I338-L392 HydrophobicContact CG2-CG 4.42Å; A339-L392 HydrophobicContact CB-CD2 4.12Å; Y342-L392 HydrophobicContact CD1-CD1 4.11Å; Y342-L392 HydrophobicContact CD1-CD2 4.15Å; Y342-L392 HydrophobicContact CD2-CD1 4.48Å; Y342-L392 HydrophobicContact CE1-CD1 4.24Å; Y342-L392 HydrophobicContact CG-CD1 4.24Å; Y342-L392 HydrophobicContact CG-CD2 4.12Å; L388-L392 WeakPolarHBondContact O-CB 3.44Å; L388-L392 WeakPolarHBondContact O-CG 3.39Å; L388-L392 PolarHBondContact O-N 2.85Å; L392-L396 WeakPolarHBondContact O-CB 3.14Å; L392-L396 WeakPolarHBondContact O-CG 3.41Å; L392-L396 PolarHBondContact O-N 2.74Å; L392-I434 HydrophobicContact CB-CD1 3.94Å; L392-I434 HydrophobicContact CB-CG1 3.9Å; L392-I434 HydrophobicContact CD1-CD1 4.48Å
393	H	97.9	Very high	95.3	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.037	17%	0.168	C	C	.	.	H	α-helix	trans	-62.3	-51.6	174.1	169.5	56.9	0	0	0	110.5	L389 D390 L396 N397 N430 S432 I434 V435	L389-H393 VanDerWaalsContact O-CB 3.24Å; L389-H393 WeakPolarHBondContact O-CB 3.47Å; L389-H393 PolarHBondContact O-N 3.46Å; D390-H393 WeakPolarHBondContact O-CB 3.25Å; D390-H393 PolarHBondContact O-N 2.9Å; D390-H393 VanDerWaalsContact O-N 3.15Å; H393-L396 CarbonylContact O-C 3.53Å; H393-L396 PolarHBondContact O-N 3.14Å; H393-N397 PolarHBondContact NE2-ND2 3.05Å; H393-N397 WeakPolarHBondContact O-CB 3.19Å; H393-N397 PolarHBondContact O-N 3.11Å; H393-N430 WeakPolarHBondContact NE2-CB 3.45Å; H393-S432 PolarHBondContact ND1-OG 3.44Å; H393-S432 PolarHBondContact O-OG 2.82Å; H393-I434 HydrophobicContact CB-CB 3.94Å; H393-I434 HydrophobicContact CB-CG1 4.25Å; H393-I434 HydrophobicContact CB-CG2 4.06Å; H393-V435 VanDerWaalsContact CE1-CG2 3.43Å; H393-V435 WeakPolarHBondContact CE1-CG2 3.48Å; H393-V435 WeakPolarHBondContact ND1-CG2 3.36Å
394	E	97.6	Very high	95.1	Very high	9 Å²	9	41.3 Å²	41.3	4%	0.042	19%	0.186	C	C	.	.	H	α-helix	trans	-76.4	-34.2	-173.8	-65.8	-71.4	-146.8	0	0	113.4	N330 L332 D390 L396 N397 K402	N330-E394 PolarHBondContact ND2-O 2.9Å; N330-E394 PolarHBondContact ND2-OE2 3.19Å; L332-E394 HydrophobicContact CB-CG 4.07Å; L332-E394 WeakPolarHBondContact CB-OE1 3.35Å; L332-E394 WeakPolarHBondContact CD1-OE1 3.47Å; D390-E394 PolarHBondContact O-N 3.13Å; E394-L396 PolarHBondContact O-N 2.66Å; E394-N397 PolarHBondContact O-N 2.88Å; E394-N397 PolarHBondContact OE2-ND2 2.61Å; E394-K402 IonicContact OE1-NZ 2.76Å; E394-K402 PolarHBondContact OE1-NZ 2.9Å; E394-K402 VanDerWaalsContact OE2-CE 3.26Å; E394-K402 WeakPolarHBondContact OE2-CE 3.37Å; E394-K402 IonicContact OE2-NZ 3.7Å; E394-K402 PolarHBondContact OE2-NZ 3Å
395	D	97.8	Very high	94.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.3	-19.1	171.8	-91.6	-2.4	0	0	0	113.4	L326 N327 M334 R335 G336 E337 I338 A339 G391	L326-D395 CarbonylContact C-O 3.58Å; L326-D395 WeakPolarHBondContact CA-O 3.43Å; N327-D395 PolarHBondContact N-O 3.38Å; M334-D395 VanDerWaalsContact CA-OD1 3.32Å; M334-D395 WeakPolarHBondContact CA-OD1 3.48Å; M334-D395 PolarHBondContact N-OD1 3.04Å; R335-D395 PolarHBondContact N-OD1 2.73Å; G336-D395 WeakPolarHBondContact CA-OD1 3.46Å; G336-D395 WeakPolarHBondContact CA-OD2 3.32Å; G336-D395 PolarHBondContact N-OD1 2.84Å; G336-D395 PolarHBondContact N-OD2 2.8Å; E337-D395 PolarHBondContact N-OD2 3.11Å; E337-D395 VanDerWaalsContact N-OD2 3.13Å; I338-D395 WeakPolarHBondContact CA-OD2 3.36Å; I338-D395 WeakPolarHBondContact CB-OD2 3.48Å; I338-D395 PolarHBondContact N-OD2 2.97Å; A339-D395 HydrophobicContact CB-CB 3.64Å; A339-D395 PolarHBondContact N-OD2 3.45Å; G391-D395 VanDerWaalsContact O-CB 3.27Å; G391-D395 WeakPolarHBondContact O-CB 3.22Å; G391-D395 PolarHBondContact O-N 2.85Å
396	L	97.5	Very high	94.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	14.4	-179.2	-60.4	171.9	0	0	0	112.9	Y316 F317 E325 L326 A339 L392 H393 E394 R398 S432 I433	Y316-L396 HydrophobicContact CE1-CD1 3.84Å; F317-L396 HydrophobicContact CE1-CD1 4.12Å; F317-L396 HydrophobicContact CZ-CD1 3.81Å; E325-L396 HydrophobicContact CB-CD2 4.41Å; L326-L396 HydrophobicContact CD2-CD2 4.04Å; L326-L396 HydrophobicContact CG-CD2 4.24Å; A339-L396 HydrophobicContact CB-CD1 4.3Å; A339-L396 HydrophobicContact CB-CD2 3.93Å; A339-L396 HydrophobicContact CB-CG 3.95Å; L392-L396 WeakPolarHBondContact O-CB 3.14Å; L392-L396 WeakPolarHBondContact O-CG 3.41Å; L392-L396 PolarHBondContact O-N 2.74Å; H393-L396 CarbonylContact O-C 3.53Å; H393-L396 PolarHBondContact O-N 3.14Å; E394-L396 PolarHBondContact O-N 2.66Å; L396-R398 PolarHBondContact O-N 2.95Å; L396-R398 VanDerWaalsContact O-N 3.15Å; L396-S432 WeakPolarHBondContact O-CB 3.37Å; L396-I433 HydrophobicContact CD1-CG2 3.82Å
397	N	97.4	Very high	93.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	25%	0.25	C	S	.	.			trans	-71.3	111.7	-175.2	-163.9	-24.7	0	0	0	111.2	N327 H393 E394 I399 K402 R429 D431	N327-N397 PolarHBondContact ND2-O 3.24Å; H393-N397 PolarHBondContact NE2-ND2 3.05Å; H393-N397 WeakPolarHBondContact O-CB 3.19Å; H393-N397 PolarHBondContact O-N 3.11Å; E394-N397 PolarHBondContact O-N 2.88Å; E394-N397 PolarHBondContact OE2-ND2 2.61Å; N397-I399 PolarHBondContact O-N 2.92Å; N397-I399 WeakPolarHBondContact OD1-CB 3.02Å; N397-I399 PolarHBondContact OD1-N 2.93Å; N397-K402 WeakPolarHBondContact ND2-CE 3.28Å; N397-K402 PolarHBondContact ND2-NZ 2.78Å; N397-R429 PolarHBondContact ND2-O 2.92Å; N397-D431 CarbonylContact C-O 3.53Å; N397-D431 PolarHBondContact OD1-N 3.49Å; N397-D431 PolarHBondContact OD1-O 3.26Å
398	R	96.6	Very high	92.9	Very high	52 Å²	52	59.6 Å²	59.6	20%	0.196	27%	0.271	C	S	.	.	S	Bend	trans	-57.6	-29.5	177.5	-60.2	164.3	-176.7	138.5	5	111.3	E325 L396 R400 D431 D436	E325-R398 VanDerWaalsContact CD-NE 3.3Å; E325-R398 HydrophobicContact CG-CG 4.47Å; E325-R398 IonicContact OE1-CZ 2.89Å; E325-R398 VanDerWaalsContact OE1-CZ 3.29Å; E325-R398 IonicContact OE1-NE 3Å; E325-R398 PolarHBondContact OE1-NE 2.65Å; E325-R398 IonicContact OE1-NH2 2.81Å; E325-R398 PolarHBondContact OE1-NH2 2.99Å; E325-R398 IonicContact OE2-CZ 3.67Å; E325-R398 IonicContact OE2-NE 2.67Å; E325-R398 PolarHBondContact OE2-NE 2.92Å; E325-R398 IonicContact OE2-NH2 2.79Å; E325-R398 PolarHBondContact OE2-NH2 3.02Å; L396-R398 PolarHBondContact O-N 2.95Å; L396-R398 VanDerWaalsContact O-N 3.15Å; R398-R400 PolarHBondContact O-N 2.94Å; R398-D431 HydrophobicContact CB-CB 4.27Å; R398-D431 VanDerWaalsContact CB-O 3.29Å; R398-D431 WeakPolarHBondContact CB-O 3.38Å; R398-D431 VanDerWaalsContact CD-CG 3.46Å; R398-D431 WeakPolarHBondContact CD-OD1 3.15Å; R398-D431 WeakPolarHBondContact CD-OD2 3.38Å; R398-D431 WeakPolarHBondContact CG-O 3.31Å; R398-D431 IonicContact CZ-OD1 3.78Å; R398-D431 PolarHBondContact N-O 2.95Å; R398-D431 IonicContact NE-OD1 3.42Å; R398-D431 IonicContact NH1-OD1 2.74Å; R398-D431 PolarHBondContact NH1-OD1 3.13Å; R398-D436 IonicContact CZ-OD2 3.58Å; R398-D436 VanDerWaalsContact CZ-OD2 3.29Å; R398-D436 IonicContact NH1-OD1 2.7Å; R398-D436 PolarHBondContact NH1-OD1 2.82Å; R398-D436 VanDerWaalsContact NH1-OD1 3.16Å; R398-D436 IonicContact NH1-OD2 3.6Å; R398-D436 PolarHBondContact NH1-OD2 3.31Å; R398-D436 IonicContact NH2-OD2 3.26Å; R398-D436 PolarHBondContact NH2-OD2 2.91Å
399	I	94.9	Very high	92.3	Very high	37 Å²	37	60.8 Å²	60.8	19%	0.19	28%	0.277	C	S	.	.			trans	-74.5	87.7	176.7	-49	-53.8	0	0	0	111.1	N397 K401 K402 D431	N397-I399 PolarHBondContact O-N 2.92Å; N397-I399 WeakPolarHBondContact OD1-CB 3.02Å; N397-I399 PolarHBondContact OD1-N 2.93Å; I399-K401 PolarHBondContact O-N 3.21Å; I399-K401 VanDerWaalsContact O-N 3.16Å; I399-K402 HydrophobicContact CG2-CG 4.34Å; I399-D431 HydrophobicContact CD1-CB 3.86Å; I399-D431 HydrophobicContact CG1-CB 3.81Å
400	R	90.4	Very high	91.9	Very high	125 Å²	125	61 Å²	61	47%	0.472	28%	0.279	S	S	.	.	S	Bend	trans	-62.3	-21.4	-179.7	-51.6	-51.4	-179.6	139.1	-7.5	114.7	E324 E325 L326 R398	E324-R400 PolarHBondContact O-NH2 2.81Å; E324-R400 VanDerWaalsContact O-NH2 3.09Å; E325-R400 PolarHBondContact O-NH2 2.76Å; L326-R400 PolarHBondContact O-NH1 3.29Å; L326-R400 PolarHBondContact O-NH2 2.81Å; R398-R400 PolarHBondContact O-N 2.94Å
401	K	90.9	Very high	91.4	Very high	189 Å²	189	62.5 Å²	62.5	82%	0.822	29%	0.287	S	S	*	.	S	Bend	trans	-142.5	93.8	176.9	-174.8	-179.4	179.7	-180	0	110.6	I399 P403	I399-K401 PolarHBondContact O-N 3.21Å; I399-K401 VanDerWaalsContact O-N 3.16Å; K401-P403 WeakPolarHBondContact O-CD 3.47Å
402	K	91.6	Very high	90.8	Very high	43 Å²	43	66.4 Å²	66.4	19%	0.187	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-60.5	121	-179.7	-55.8	-164	178.5	-157.4	0	111	L332 E394 N397 I399 R429 N430	L332-K402 HydrophobicContact CD1-CD 4.4Å; E394-K402 IonicContact OE1-NZ 2.76Å; E394-K402 PolarHBondContact OE1-NZ 2.9Å; E394-K402 VanDerWaalsContact OE2-CE 3.26Å; E394-K402 WeakPolarHBondContact OE2-CE 3.37Å; E394-K402 IonicContact OE2-NZ 3.7Å; E394-K402 PolarHBondContact OE2-NZ 3Å; N397-K402 WeakPolarHBondContact ND2-CE 3.28Å; N397-K402 PolarHBondContact ND2-NZ 2.78Å; I399-K402 HydrophobicContact CG2-CG 4.34Å; K402-R429 HydrophobicContact CB-CB 4.5Å; K402-R429 HydrophobicContact CD-CB 4.46Å; K402-R429 VanDerWaalsContact CD-O 3.29Å; K402-R429 WeakPolarHBondContact CD-O 3.33Å; K402-R429 WeakPolarHBondContact CE-O 3.34Å; K402-R429 WeakPolarHBondContact CG-O 3.03Å; K402-R429 PolarHBondContact NZ-O 3.25Å; K402-N430 PolarHBondContact NZ-OD1 3.46Å
403	P	91.4	Very high	90.6	Very high	57 Å²	57	69.7 Å²	69.7	37%	0.37	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-67.7	152.4	170.2	28.7	-34.2	0	0	0	110.8	K401 I405 K428 R429	K401-P403 WeakPolarHBondContact O-CD 3.47Å; P403-I405 HydrophobicContact CB-CG1 4.4Å; P403-I405 HydrophobicContact CG-CD1 4.15Å; P403-I405 HydrophobicContact CG-CG1 4.19Å; P403-K428 WeakPolarHBondContact CD-O 3.32Å; P403-K428 VanDerWaalsContact CG-O 3.31Å; P403-K428 WeakPolarHBondContact CG-O 3.26Å; P403-R429 HydrophobicContact CG-CG 4.04Å; P403-R429 WeakPolarHBondContact O-CD 3.3Å; P403-R429 PolarHBondContact O-NE 2.89Å
404	Y	89.8	Confident	90.4	Very high	204 Å²	204	73.6 Å²	73.6	80%	0.8	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-75.6	124.9	161.9	177.9	-95.3	0	0	0	108.4	Q406	Y404-Q406 HydrophobicContact CE1-CB 4.22Å
405	I	85.9	Confident	90.2	Very high	38 Å²	38	75.7 Å²	75.7	20%	0.195	38%	0.378	C	S	.	.			trans	-125.4	123.8	175.4	-57.8	179.6	0	0	0	107.3	P403 L407 N425 K428 R429	P403-I405 HydrophobicContact CB-CG1 4.4Å; P403-I405 HydrophobicContact CG-CD1 4.15Å; P403-I405 HydrophobicContact CG-CG1 4.19Å; I405-L407 PolarHBondContact O-N 3.31Å; I405-N425 HydrophobicContact CD1-CB 4.12Å; I405-N425 HydrophobicContact CG2-CB 4.1Å; I405-K428 HydrophobicContact CD1-CB 3.83Å; I405-K428 HydrophobicContact CD1-CD 4.3Å; I405-R429 HydrophobicContact CD1-CG 3.91Å; I405-R429 HydrophobicContact CG1-CG 4.38Å
406	Q	84.3	Confident	89.9	Confident	144 Å²	144	80.5 Å²	80.5	67%	0.673	40%	0.399	S	S	*	.			trans	-79.3	113.9	170.8	-175	177.2	10.9	0	0	108.5	Y404	Y404-Q406 HydrophobicContact CE1-CB 4.22Å
407	L	82	Confident	89.7	Confident	125 Å²	125	84 Å²	84	65%	0.654	42%	0.42	S	S	*	.			trans	-64.2	147.5	170.7	-63.2	176.6	0	0	0	110	I405	I405-L407 PolarHBondContact O-N 3.31Å
408	K	81	Confident	89.5	Confident	128 Å²	128	84.2 Å²	84.2	56%	0.557	42%	0.421	S	S	*	.			trans	-120.9	153.7	179.4	-61.1	175.3	-170.3	163.4	0	109.6	E421	K408-E421 IonicContact NZ-OE2 2.69Å
409	D	86.1	Confident	89.3	Confident	25 Å²	25	81.9 Å²	81.9	13%	0.134	41%	0.413	C	S	.	.			trans	-68.2	167.1	164.8	-156.5	-41.6	0	0	0	109.3	D411 R413 K453 S455 V456	D409-D411 PolarHBondContact O-N 2.57Å; D409-R413 PolarHBondContact O-NH2 3.01Å; D409-K453 WeakPolarHBondContact OD2-CE 3.08Å; D409-K453 IonicContact OD2-NZ 3.38Å; D409-K453 PolarHBondContact OD2-NZ 3.28Å; D409-S455 VanDerWaalsContact OD2-CA 3.31Å; D409-S455 WeakPolarHBondContact OD2-CA 3.37Å; D409-S455 WeakPolarHBondContact OD2-CB 3.48Å; D409-S455 PolarHBondContact OD2-OG 3.14Å; D409-V456 PolarHBondContact OD1-N 3.42Å
410	A	86.9	Confident	89.3	Confident	7 Å²	7	84.9 Å²	84.9	6%	0.058	43%	0.426	C	S	.	.			trans	-62.4	-36.1	169.9	0	0	0	0	0	111.4	G412 R413 V418 V456	A410-G412 PolarHBondContact O-N 2.61Å; A410-G412 VanDerWaalsContact O-N 3.16Å; A410-R413 WeakPolarHBondContact O-CB 3.4Å; A410-R413 WeakPolarHBondContact O-CG 3.28Å; A410-R413 PolarHBondContact O-N 2.91Å; A410-R413 PolarHBondContact O-NE 3.11Å; A410-V418 HydrophobicContact CB-CG1 4.24Å; A410-V418 HydrophobicContact CB-CG2 3.89Å; A410-V456 HydrophobicContact CB-CB 3.74Å; A410-V456 HydrophobicContact CB-CG1 3.99Å; A410-V456 PolarHBondContact N-O 3.26Å
411	D	85.6	Confident	89.4	Confident	121 Å²	121	81.2 Å²	81.2	65%	0.647	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	38.4	-177.9	-71	-34.3	0	0	0	113.5	D409 R413	D409-D411 PolarHBondContact O-N 2.57Å; D411-R413 VanDerWaalsContact C-N 3.33Å; D411-R413 PolarHBondContact O-N 3.03Å
412	G	84.1	Confident	89.5	Confident	82 Å²	82	73 Å²	73	85%	0.845	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	2	179.4	0	0	0	0	0	115.5	A410	A410-G412 PolarHBondContact O-N 2.61Å; A410-G412 VanDerWaalsContact O-N 3.16Å
413	R	92.8	Very high	89.6	Confident	69 Å²	69	74.6 Å²	74.6	26%	0.26	39%	0.386	S	S	.	.			trans	-67	151.7	171.8	-61.9	177.5	-67.2	160.1	-2.8	111	D409 A410 D411 V418 E421	D409-R413 PolarHBondContact O-NH2 3.01Å; A410-R413 WeakPolarHBondContact O-CB 3.4Å; A410-R413 WeakPolarHBondContact O-CG 3.28Å; A410-R413 PolarHBondContact O-N 2.91Å; A410-R413 PolarHBondContact O-NE 3.11Å; D411-R413 VanDerWaalsContact C-N 3.33Å; D411-R413 PolarHBondContact O-N 3.03Å; R413-V418 HydrophobicContact CB-CG2 3.69Å; R413-E421 IonicContact CZ-OE1 2.67Å; R413-E421 VanDerWaalsContact CZ-OE1 3.25Å; R413-E421 IonicContact NH1-OE1 3.01Å; R413-E421 PolarHBondContact NH1-OE1 3.45Å; R413-E421 IonicContact NH1-OE2 3.59Å; R413-E421 PolarHBondContact NH1-OE2 2.78Å; R413-E421 VanDerWaalsContact NH1-OE2 3.08Å; R413-E421 IonicContact NH2-OE1 3.36Å; R413-E421 PolarHBondContact NH2-OE1 2.81Å
414	P	93.4	Very high	89.8	Confident	91 Å²	91	77.1 Å²	77.1	59%	0.591	39%	0.394	S	S	*	.			trans	-62.5	135.8	177.6	-21.1	32.9	0	0	0	112.2	K416 V417 V418	P414-K416 VanDerWaalsContact C-N 3.25Å; P414-K416 PolarHBondContact O-N 3.31Å; P414-K416 VanDerWaalsContact O-N 3.07Å; P414-V417 HydrophobicContact CB-CG2 4.43Å; P414-V417 PolarHBondContact O-N 3.07Å; P414-V418 PolarHBondContact O-N 2.97Å
415	D	93.1	Very high	89.9	Confident	53 Å²	53	68.8 Å²	68.8	28%	0.283	36%	0.363	S	S	.	.	H	α-helix	trans	-42.3	-48.4	-177.7	-79.9	-13.7	0	0	0	113.6	V417 V418 A419 K443 F458 W825	D415-V417 VanDerWaalsContact C-N 3.32Å; D415-V417 PolarHBondContact O-N 3.4Å; D415-V418 PolarHBondContact O-N 3.37Å; D415-V418 VanDerWaalsContact O-N 3.15Å; D415-A419 WeakPolarHBondContact O-CB 3.3Å; D415-A419 PolarHBondContact O-N 3.02Å; D415-K443 WeakPolarHBondContact OD1-CE 3.22Å; D415-K443 IonicContact OD1-NZ 3.16Å; D415-K443 PolarHBondContact OD1-NZ 2.73Å; D415-K443 IonicContact OD2-NZ 2.62Å; D415-K443 PolarHBondContact OD2-NZ 3.41Å; D415-F458 HydrophobicContact CB-CE2 4.39Å; D415-F458 HydrophobicContact CB-CZ 3.81Å; D415-W825 HydrophobicContact CB-CH2 3.96Å; D415-W825 HydrophobicContact CB-CZ3 3.74Å
416	K	92.4	Very high	90.3	Very high	101 Å²	101	67.7 Å²	67.7	44%	0.439	36%	0.357	S	S	.	.	H	α-helix	trans	-54.7	-44.8	-179.9	179.8	176.6	174.6	179	0	112.9	P414 V418 A419 E420 W825	P414-K416 VanDerWaalsContact C-N 3.25Å; P414-K416 PolarHBondContact O-N 3.31Å; P414-K416 VanDerWaalsContact O-N 3.07Å; K416-V418 VanDerWaalsContact C-N 3.34Å; K416-A419 PolarHBondContact O-N 2.94Å; K416-E420 VanDerWaalsContact CE-CD 3.49Å; K416-E420 WeakPolarHBondContact CE-OE1 3.11Å; K416-E420 HydrophobicContact CG-CG 4.47Å; K416-E420 IonicContact NZ-OE1 3.38Å; K416-E420 WeakPolarHBondContact O-CB 3.42Å; K416-E420 VanDerWaalsContact O-CG 3.29Å; K416-E420 WeakPolarHBondContact O-CG 3.43Å; K416-E420 PolarHBondContact O-N 2.95Å; K416-W825 HydrophobicContact CB-CH2 4.16Å; K416-W825 HydrophobicContact CB-CZ2 4.1Å; K416-W825 HydrophobicContact CG-CZ2 4.49Å
417	V	92.8	Very high	90.8	Very high	74 Å²	74	63.6 Å²	63.6	45%	0.448	34%	0.339	S	S	.	.	H	α-helix	trans	-69.2	-36	-178	-178.3	0	0	0	0	110.9	P414 D415 E421	P414-V417 HydrophobicContact CB-CG2 4.43Å; P414-V417 PolarHBondContact O-N 3.07Å; D415-V417 VanDerWaalsContact C-N 3.32Å; D415-V417 PolarHBondContact O-N 3.4Å; V417-E421 WeakPolarHBondContact O-CB 3.47Å; V417-E421 PolarHBondContact O-N 2.86Å
418	V	94.4	Very high	91.4	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.024	33%	0.326	C	S	.	.	H	α-helix	trans	-74	-38.1	178.2	-169.7	0	0	0	0	110.8	A410 R413 P414 D415 K416 E421 A422 F458	A410-V418 HydrophobicContact CB-CG1 4.24Å; A410-V418 HydrophobicContact CB-CG2 3.89Å; R413-V418 HydrophobicContact CB-CG2 3.69Å; P414-V418 PolarHBondContact O-N 2.97Å; D415-V418 PolarHBondContact O-N 3.37Å; D415-V418 VanDerWaalsContact O-N 3.15Å; K416-V418 VanDerWaalsContact C-N 3.34Å; V418-E421 PolarHBondContact O-N 3.44Å; V418-A422 VanDerWaalsContact O-CB 3.24Å; V418-A422 WeakPolarHBondContact O-CB 3.44Å; V418-A422 PolarHBondContact O-N 3.06Å; V418-F458 HydrophobicContact CB-CD2 3.93Å; V418-F458 HydrophobicContact CB-CE2 3.97Å; V418-F458 HydrophobicContact CG1-CD2 3.75Å; V418-F458 HydrophobicContact CG1-CE2 4.19Å
419	A	92.4	Very high	92	Very high	2 Å²	2	60.2 Å²	60.2	2%	0.017	32%	0.316	C	S	.	.	H	α-helix	trans	-66.2	-42.2	174.9	0	0	0	0	0	112.4	D415 K416 A422 W423 L441 F458 W825	D415-A419 WeakPolarHBondContact O-CB 3.3Å; D415-A419 PolarHBondContact O-N 3.02Å; K416-A419 PolarHBondContact O-N 2.94Å; A419-A422 PolarHBondContact O-N 3.03Å; A419-W423 WeakPolarHBondContact O-CB 3.46Å; A419-W423 PolarHBondContact O-N 2.85Å; A419-L441 HydrophobicContact CB-CD2 3.95Å; A419-F458 HydrophobicContact CB-CD1 3.61Å; A419-F458 HydrophobicContact CB-CD2 4.34Å; A419-F458 HydrophobicContact CB-CE1 3.75Å; A419-F458 HydrophobicContact CB-CE2 4.47Å; A419-F458 HydrophobicContact CB-CG 3.92Å; A419-F458 HydrophobicContact CB-CZ 4.19Å; A419-W825 HydrophobicContact CB-CD2 4.08Å; A419-W825 HydrophobicContact CB-CG 4.25Å; A419-W825 HydrophobicContact CB-CZ2 4.02Å; A419-W825 VanDerWaalsContact CB-NE1 3.33Å
420	E	93.1	Very high	92.4	Very high	100 Å²	100	60.2 Å²	60.2	47%	0.467	32%	0.317	S	S	.	.	H	α-helix	trans	-64.7	-45.5	174	-73.5	169.8	164.3	0	0	111	K416 A422 W423 E424	K416-E420 VanDerWaalsContact CE-CD 3.49Å; K416-E420 WeakPolarHBondContact CE-OE1 3.11Å; K416-E420 HydrophobicContact CG-CG 4.47Å; K416-E420 IonicContact NZ-OE1 3.38Å; K416-E420 WeakPolarHBondContact O-CB 3.42Å; K416-E420 VanDerWaalsContact O-CG 3.29Å; K416-E420 WeakPolarHBondContact O-CG 3.43Å; K416-E420 PolarHBondContact O-N 2.95Å; E420-A422 PolarHBondContact O-N 2.93Å; E420-W423 PolarHBondContact O-N 2.98Å; E420-E424 WeakPolarHBondContact O-CB 3.31Å; E420-E424 PolarHBondContact O-N 2.97Å
421	E	93.5	Very high	92.8	Very high	48 Å²	48	62.1 Å²	62.1	22%	0.224	33%	0.326	C	S	.	.	H	α-helix	trans	-58.2	-44.3	172.8	179.6	-179.5	75.7	0	0	111.8	K408 R413 V417 V418 N425	K408-E421 IonicContact NZ-OE2 2.69Å; R413-E421 IonicContact CZ-OE1 2.67Å; R413-E421 VanDerWaalsContact CZ-OE1 3.25Å; R413-E421 IonicContact NH1-OE1 3.01Å; R413-E421 PolarHBondContact NH1-OE1 3.45Å; R413-E421 IonicContact NH1-OE2 3.59Å; R413-E421 PolarHBondContact NH1-OE2 2.78Å; R413-E421 VanDerWaalsContact NH1-OE2 3.08Å; R413-E421 IonicContact NH2-OE1 3.36Å; R413-E421 PolarHBondContact NH2-OE1 2.81Å; V417-E421 WeakPolarHBondContact O-CB 3.47Å; V417-E421 PolarHBondContact O-N 2.86Å; V418-E421 PolarHBondContact O-N 3.44Å; E421-N425 WeakPolarHBondContact CG-ND2 3.44Å; E421-N425 VanDerWaalsContact O-CB 3.24Å; E421-N425 WeakPolarHBondContact O-CB 3.27Å; E421-N425 PolarHBondContact O-N 3.41Å; E421-N425 PolarHBondContact O-ND2 3.17Å
422	A	93.8	Very high	93.4	Very high	17 Å²	17	56.3 Å²	56.3	14%	0.14	30%	0.295	C	S	.	.	H	α-helix	trans	-66.7	-44.3	179.8	0	0	0	0	0	112.5	V418 A419 E420 N425 H426 F458	V418-A422 VanDerWaalsContact O-CB 3.24Å; V418-A422 WeakPolarHBondContact O-CB 3.44Å; V418-A422 PolarHBondContact O-N 3.06Å; A419-A422 PolarHBondContact O-N 3.03Å; E420-A422 PolarHBondContact O-N 2.93Å; A422-N425 PolarHBondContact O-N 2.78Å; A422-H426 PolarHBondContact O-N 3.42Å; A422-F458 HydrophobicContact CB-CB 3.69Å; A422-F458 WeakPolarHBondContact CB-O 3.29Å
423	W	93.8	Very high	94	Very high	76 Å²	76	52.5 Å²	52.5	29%	0.288	26%	0.255	S	S	.	.	H	α-helix	trans	-66.9	-42.9	178.9	-171.7	-111.4	0	0	0	112.2	A419 E420 N425 H426 L427 V435 H439 L441	A419-W423 WeakPolarHBondContact O-CB 3.46Å; A419-W423 PolarHBondContact O-N 2.85Å; E420-W423 PolarHBondContact O-N 2.98Å; W423-N425 VanDerWaalsContact C-N 3.29Å; W423-N425 PolarHBondContact O-N 2.69Å; W423-H426 AromaticContact CZ3-CD2 3.96Å; W423-H426 WeakPolarHBondContact O-CB 3.28Å; W423-H426 PolarHBondContact O-N 3.04Å; W423-L427 WeakPolarHBondContact O-CG 3.43Å; W423-L427 PolarHBondContact O-N 2.89Å; W423-V435 HydrophobicContact CH2-CG1 4.13Å; W423-V435 HydrophobicContact CZ2-CG1 4.41Å; W423-H439 HydrophobicContact CH2-CB 3.79Å; W423-H439 HydrophobicContact CZ3-CB 4.2Å; W423-L441 HydrophobicContact CE3-CD1 4.25Å
424	E	93.8	Very high	94.2	Very high	111 Å²	111	49.2 Å²	49.2	52%	0.519	24%	0.242	S	C	.	.	H	α-helix	trans	-58.3	-41.9	170.6	-80.6	-165.1	-170.9	0	0	112	E420 H426 L427 K428	E420-E424 WeakPolarHBondContact O-CB 3.31Å; E420-E424 PolarHBondContact O-N 2.97Å; E424-H426 VanDerWaalsContact C-N 3.33Å; E424-L427 PolarHBondContact O-N 2.8Å; E424-K428 WeakPolarHBondContact O-CB 3.47Å; E424-K428 WeakPolarHBondContact O-CD 3.09Å; E424-K428 WeakPolarHBondContact O-CG 3.44Å; E424-K428 PolarHBondContact O-N 2.92Å; E424-K428 WeakPolarHBondContact OE2-CE 3.27Å; E424-K428 IonicContact OE2-NZ 2.72Å; E424-K428 PolarHBondContact OE2-NZ 2.85Å
425	N	93.8	Very high	94.3	Very high	28 Å²	28	45 Å²	45	15%	0.15	22%	0.216	C	C	.	.	H	α-helix	trans	-72.7	-25.7	-179	-71.5	-23.3	0	0	0	113.1	I405 E421 A422 W423 K428	I405-N425 HydrophobicContact CD1-CB 4.12Å; I405-N425 HydrophobicContact CG2-CB 4.1Å; E421-N425 WeakPolarHBondContact CG-ND2 3.44Å; E421-N425 VanDerWaalsContact O-CB 3.24Å; E421-N425 WeakPolarHBondContact O-CB 3.27Å; E421-N425 PolarHBondContact O-N 3.41Å; E421-N425 PolarHBondContact O-ND2 3.17Å; A422-N425 PolarHBondContact O-N 2.78Å; W423-N425 VanDerWaalsContact C-N 3.29Å; W423-N425 PolarHBondContact O-N 2.69Å; N425-K428 PolarHBondContact OD1-NZ 2.8Å
426	H	94.1	Very high	94.3	Very high	15 Å²	15	43.8 Å²	43.8	7%	0.069	21%	0.209	C	C	.	.	H	α-helix	trans	-66.4	-56.6	165.2	-179.9	66.7	0	0	0	110.1	A422 W423 E424 K428 R429 N430 H439	A422-H426 PolarHBondContact O-N 3.42Å; W423-H426 AromaticContact CZ3-CD2 3.96Å; W423-H426 WeakPolarHBondContact O-CB 3.28Å; W423-H426 PolarHBondContact O-N 3.04Å; E424-H426 VanDerWaalsContact C-N 3.33Å; H426-K428 VanDerWaalsContact C-N 3.3Å; H426-K428 PolarHBondContact O-N 2.65Å; H426-R429 CarbonylContact O-C 3.49Å; H426-R429 PolarHBondContact O-N 3.13Å; H426-N430 VanDerWaalsContact CE1-CB 3.45Å; H426-N430 WeakPolarHBondContact CE1-CB 3.41Å; H426-N430 PolarHBondContact CE1-ND2 3.42Å; H426-N430 PolarHBondContact ND1-ND2 2.83Å; H426-N430 WeakPolarHBondContact O-CB 3.45Å; H426-N430 PolarHBondContact O-N 2.85Å; H426-H439 AromaticContact CE1-CE1 3.82Å; H426-H439 AromaticContact CE1-ND1 3.47Å; H426-H439 PolarHBondContact CE1-ND1 3.35Å; H426-H439 AromaticContact NE2-CE1 3.79Å; H426-H439 AromaticContact NE2-ND1 3.11Å; H426-H439 PolarHBondContact NE2-ND1 3.42Å; H426-H439 VanDerWaalsContact NE2-ND1 3.11Å
427	L	93.8	Very high	94.5	Very high	58 Å²	58	39 Å²	39	30%	0.304	19%	0.188	S	C	.	.	H	α-helix	trans	-57.8	-37	-179.1	-69.5	176.1	0	0	0	113.5	W423 E424 R429 N430 V435	W423-L427 WeakPolarHBondContact O-CG 3.43Å; W423-L427 PolarHBondContact O-N 2.89Å; E424-L427 PolarHBondContact O-N 2.8Å; L427-R429 PolarHBondContact O-N 2.79Å; L427-N430 WeakPolarHBondContact CA-O 3.31Å; L427-N430 PolarHBondContact O-N 3.22Å; L427-V435 HydrophobicContact CD2-CG1 4Å
428	K	94	Very high	94.7	Very high	89 Å²	89	35.5 Å²	35.5	39%	0.387	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-12.1	174.3	-73.2	161.1	-160.7	161.3	0	114.1	P403 I405 E424 N425 H426	P403-K428 WeakPolarHBondContact CD-O 3.32Å; P403-K428 VanDerWaalsContact CG-O 3.31Å; P403-K428 WeakPolarHBondContact CG-O 3.26Å; I405-K428 HydrophobicContact CD1-CB 3.83Å; I405-K428 HydrophobicContact CD1-CD 4.3Å; E424-K428 WeakPolarHBondContact O-CB 3.47Å; E424-K428 WeakPolarHBondContact O-CD 3.09Å; E424-K428 WeakPolarHBondContact O-CG 3.44Å; E424-K428 PolarHBondContact O-N 2.92Å; E424-K428 WeakPolarHBondContact OE2-CE 3.27Å; E424-K428 IonicContact OE2-NZ 2.72Å; E424-K428 PolarHBondContact OE2-NZ 2.85Å; N425-K428 PolarHBondContact OD1-NZ 2.8Å; H426-K428 VanDerWaalsContact C-N 3.3Å; H426-K428 PolarHBondContact O-N 2.65Å
429	R	93.9	Very high	94.8	Very high	93 Å²	93	36.6 Å²	36.6	35%	0.351	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124	-27	179.2	-61.8	-179.9	70.1	-133.9	-7.2	113.4	N397 K402 P403 I405 H426 L427	N397-R429 PolarHBondContact ND2-O 2.92Å; K402-R429 HydrophobicContact CB-CB 4.5Å; K402-R429 HydrophobicContact CD-CB 4.46Å; K402-R429 VanDerWaalsContact CD-O 3.29Å; K402-R429 WeakPolarHBondContact CD-O 3.33Å; K402-R429 WeakPolarHBondContact CE-O 3.34Å; K402-R429 WeakPolarHBondContact CG-O 3.03Å; K402-R429 PolarHBondContact NZ-O 3.25Å; P403-R429 HydrophobicContact CG-CG 4.04Å; P403-R429 WeakPolarHBondContact O-CD 3.3Å; P403-R429 PolarHBondContact O-NE 2.89Å; I405-R429 HydrophobicContact CD1-CG 3.91Å; I405-R429 HydrophobicContact CG1-CG 4.38Å; H426-R429 CarbonylContact O-C 3.49Å; H426-R429 PolarHBondContact O-N 3.13Å; L427-R429 PolarHBondContact O-N 2.79Å
430	N	94.6	Very high	94.9	Very high	26 Å²	26	36.5 Å²	36.5	14%	0.139	17%	0.171	C	C	.	.			trans	-140	95.1	-165.7	-61.2	-22.8	0	0	0	108.5	H393 K402 H426 L427	H393-N430 WeakPolarHBondContact NE2-CB 3.45Å; K402-N430 PolarHBondContact NZ-OD1 3.46Å; H426-N430 VanDerWaalsContact CE1-CB 3.45Å; H426-N430 WeakPolarHBondContact CE1-CB 3.41Å; H426-N430 PolarHBondContact CE1-ND2 3.42Å; H426-N430 PolarHBondContact ND1-ND2 2.83Å; H426-N430 WeakPolarHBondContact O-CB 3.45Å; H426-N430 PolarHBondContact O-N 2.85Å; L427-N430 WeakPolarHBondContact CA-O 3.31Å; L427-N430 PolarHBondContact O-N 3.22Å
431	D	96.4	Very high	95	Very high	46 Å²	46	31.8 Å²	31.8	25%	0.246	15%	0.149	C	C	.	.			trans	-136.4	111.2	-179.6	177.5	16.2	0	0	0	108.1	N397 R398 I399	N397-D431 CarbonylContact C-O 3.53Å; N397-D431 PolarHBondContact OD1-N 3.49Å; N397-D431 PolarHBondContact OD1-O 3.26Å; R398-D431 HydrophobicContact CB-CB 4.27Å; R398-D431 VanDerWaalsContact CB-O 3.29Å; R398-D431 WeakPolarHBondContact CB-O 3.38Å; R398-D431 VanDerWaalsContact CD-CG 3.46Å; R398-D431 WeakPolarHBondContact CD-OD1 3.15Å; R398-D431 WeakPolarHBondContact CD-OD2 3.38Å; R398-D431 WeakPolarHBondContact CG-O 3.31Å; R398-D431 IonicContact CZ-OD1 3.78Å; R398-D431 PolarHBondContact N-O 2.95Å; R398-D431 IonicContact NE-OD1 3.42Å; R398-D431 IonicContact NH1-OD1 2.74Å; R398-D431 PolarHBondContact NH1-OD1 3.13Å; I399-D431 HydrophobicContact CD1-CB 3.86Å; I399-D431 HydrophobicContact CG1-CB 3.81Å
432	S	96.9	Very high	95	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-166	171.4	175.8	74.1	0	0	0	0	111.2	H393 L396 I434 V435 D436	H393-S432 PolarHBondContact ND1-OG 3.44Å; H393-S432 PolarHBondContact O-OG 2.82Å; L396-S432 WeakPolarHBondContact O-CB 3.37Å; S432-I434 PolarHBondContact O-N 3.41Å; S432-I434 PolarHBondContact OG-N 2.91Å; S432-V435 WeakPolarHBondContact O-CA 3.18Å; S432-V435 WeakPolarHBondContact O-CB 3.46Å; S432-V435 PolarHBondContact O-N 2.92Å; S432-D436 PolarHBondContact O-N 2.77Å
433	I	96.5	Very high	95.1	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-50.8	-29.2	175	-165.4	61.6	0	0	0	114.5	L313 Y316 L396 D436 I437 L944	L313-I433 HydrophobicContact CD1-CG2 4.49Å; Y316-I433 HydrophobicContact CD1-CB 4.38Å; Y316-I433 HydrophobicContact CD1-CG1 3.99Å; Y316-I433 HydrophobicContact CD1-CG2 4.09Å; Y316-I433 HydrophobicContact CD2-CB 4.08Å; Y316-I433 HydrophobicContact CD2-CD1 3.73Å; Y316-I433 HydrophobicContact CD2-CG1 3.67Å; Y316-I433 HydrophobicContact CE1-CB 4.14Å; Y316-I433 HydrophobicContact CE1-CG1 4.27Å; Y316-I433 HydrophobicContact CE1-CG2 3.64Å; Y316-I433 HydrophobicContact CE2-CB 3.83Å; Y316-I433 HydrophobicContact CE2-CD1 4.25Å; Y316-I433 HydrophobicContact CE2-CG1 3.97Å; Y316-I433 HydrophobicContact CE2-CG2 4.22Å; Y316-I433 HydrophobicContact CG-CB 4.34Å; Y316-I433 HydrophobicContact CG-CD1 4.06Å; Y316-I433 HydrophobicContact CG-CG1 3.67Å; L396-I433 HydrophobicContact CD1-CG2 3.82Å; I433-D436 HydrophobicContact CD1-CB 4.48Å; I433-I437 HydrophobicContact CD1-CD1 3.83Å; I433-I437 HydrophobicContact CD1-CG1 4.18Å; I433-I437 HydrophobicContact CG1-CD1 3.66Å; I433-I437 HydrophobicContact CG1-CG1 4.34Å; I433-I437 WeakPolarHBondContact O-CB 3.32Å; I433-I437 VanDerWaalsContact O-CG1 3.24Å; I433-I437 WeakPolarHBondContact O-CG1 3.43Å; I433-I437 PolarHBondContact O-N 3.1Å; I433-L944 HydrophobicContact CD1-CD1 4.23Å
434	I	97.4	Very high	95.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-72.4	-35.5	176.2	-58.6	-56.7	0	0	0	111.1	L313 L389 L392 H393 S432 F438 H439	L313-I434 HydrophobicContact CD1-CD1 3.72Å; L389-I434 HydrophobicContact CB-CG2 4.48Å; L389-I434 HydrophobicContact CD2-CG2 4.21Å; L392-I434 HydrophobicContact CB-CD1 3.94Å; L392-I434 HydrophobicContact CB-CG1 3.9Å; L392-I434 HydrophobicContact CD1-CD1 4.48Å; H393-I434 HydrophobicContact CB-CB 3.94Å; H393-I434 HydrophobicContact CB-CG1 4.25Å; H393-I434 HydrophobicContact CB-CG2 4.06Å; S432-I434 PolarHBondContact O-N 3.41Å; S432-I434 PolarHBondContact OG-N 2.91Å; I434-F438 HydrophobicContact CD1-CD2 4.18Å; I434-F438 HydrophobicContact CD1-CE2 4.07Å; I434-F438 HydrophobicContact CG2-CD2 4.06Å; I434-F438 WeakPolarHBondContact O-CB 3.47Å; I434-F438 PolarHBondContact O-N 3.01Å; I434-H439 PolarHBondContact O-CD2 2.92Å
435	V	96.1	Very high	95.3	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.024	12%	0.117	C	C	.	.	H	α-helix	trans	-67.9	-45.3	172.8	-170.7	0	0	0	0	110.1	H393 W423 L427 S432 I437 H439	H393-V435 VanDerWaalsContact CE1-CG2 3.43Å; H393-V435 WeakPolarHBondContact CE1-CG2 3.48Å; H393-V435 WeakPolarHBondContact ND1-CG2 3.36Å; W423-V435 HydrophobicContact CH2-CG1 4.13Å; W423-V435 HydrophobicContact CZ2-CG1 4.41Å; L427-V435 HydrophobicContact CD2-CG1 4Å; S432-V435 WeakPolarHBondContact O-CA 3.18Å; S432-V435 WeakPolarHBondContact O-CB 3.46Å; S432-V435 PolarHBondContact O-N 2.92Å; V435-I437 VanDerWaalsContact C-N 3.27Å; V435-I437 PolarHBondContact O-N 2.76Å; V435-H439 HydrophobicContact CB-CB 4.46Å; V435-H439 HydrophobicContact CG1-CB 3.89Å; V435-H439 PolarHBondContact O-N 2.68Å
436	D	94.1	Very high	95.3	Very high	27 Å²	27	24.2 Å²	24.2	14%	0.144	12%	0.115	C	C	.	.	H	α-helix	trans	-57.7	-38	178.4	-58.4	-26.5	0	0	0	112.5	R398 S432 I433 P829	R398-D436 IonicContact CZ-OD2 3.58Å; R398-D436 VanDerWaalsContact CZ-OD2 3.29Å; R398-D436 IonicContact NH1-OD1 2.7Å; R398-D436 PolarHBondContact NH1-OD1 2.82Å; R398-D436 VanDerWaalsContact NH1-OD1 3.16Å; R398-D436 IonicContact NH1-OD2 3.6Å; R398-D436 PolarHBondContact NH1-OD2 3.31Å; R398-D436 IonicContact NH2-OD2 3.26Å; R398-D436 PolarHBondContact NH2-OD2 2.91Å; S432-D436 PolarHBondContact O-N 2.77Å; I433-D436 HydrophobicContact CD1-CB 4.48Å; D436-P829 WeakPolarHBondContact O-CG 3.3Å
437	I	95.6	Very high	95.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-94.3	-44.2	-173.3	-65.5	172.7	0	0	0	113.2	T310 P312 L313 I433 V435 P829 V830	T310-I437 HydrophobicContact CG2-CG2 4.36Å; P312-I437 HydrophobicContact CB-CD1 3.79Å; P312-I437 HydrophobicContact CB-CG1 4.07Å; L313-I437 HydrophobicContact CB-CD1 3.89Å; L313-I437 HydrophobicContact CD1-CD1 4.16Å; I433-I437 HydrophobicContact CD1-CD1 3.83Å; I433-I437 HydrophobicContact CD1-CG1 4.18Å; I433-I437 HydrophobicContact CG1-CD1 3.66Å; I433-I437 HydrophobicContact CG1-CG1 4.34Å; I433-I437 WeakPolarHBondContact O-CB 3.32Å; I433-I437 VanDerWaalsContact O-CG1 3.24Å; I433-I437 WeakPolarHBondContact O-CG1 3.43Å; I433-I437 PolarHBondContact O-N 3.1Å; V435-I437 VanDerWaalsContact C-N 3.27Å; V435-I437 PolarHBondContact O-N 2.76Å; I437-P829 WeakPolarHBondContact O-CD 3.44Å; I437-V830 HydrophobicContact CG2-CB 3.76Å; I437-V830 HydrophobicContact CG2-CG2 3.64Å; I437-V830 PolarHBondContact O-N 3.43Å
438	F	97.1	Very high	95.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-115	-13.4	-163.7	-62.7	-80.2	0	0	0	115.1	L307 T310 L313 L389 I434 G440 C462 P828 V830 V832 F929	L307-F438 HydrophobicContact CD2-CZ 4.02Å; T310-F438 HydrophobicContact CG2-CE1 4.33Å; T310-F438 HydrophobicContact CG2-CZ 3.93Å; L313-F438 HydrophobicContact CD1-CE2 4.47Å; L313-F438 HydrophobicContact CD2-CE2 4.13Å; L313-F438 HydrophobicContact CD2-CZ 4.21Å; L389-F438 HydrophobicContact CD2-CD1 4.32Å; L389-F438 HydrophobicContact CD2-CD2 3.72Å; L389-F438 HydrophobicContact CD2-CE1 4.35Å; L389-F438 HydrophobicContact CD2-CE2 3.76Å; L389-F438 HydrophobicContact CD2-CG 4Å; L389-F438 HydrophobicContact CD2-CZ 4.07Å; I434-F438 HydrophobicContact CD1-CD2 4.18Å; I434-F438 HydrophobicContact CD1-CE2 4.07Å; I434-F438 HydrophobicContact CG2-CD2 4.06Å; I434-F438 WeakPolarHBondContact O-CB 3.47Å; I434-F438 PolarHBondContact O-N 3.01Å; F438-G440 PolarHBondContact O-N 2.99Å; F438-C462 HydrophobicContact CB-CB 4.4Å; F438-C462 WeakPolarHBondContact O-CA 3.42Å; F438-P828 VanDerWaalsContact O-CB 3.28Å; F438-P828 WeakPolarHBondContact O-CB 3.25Å; F438-P828 WeakPolarHBondContact O-CG 3.4Å; F438-V830 HydrophobicContact CD1-CB 4.07Å; F438-V830 HydrophobicContact CD1-CG1 4.06Å; F438-V830 HydrophobicContact CE1-CB 4.01Å; F438-V830 HydrophobicContact CE1-CG1 3.65Å; F438-V832 HydrophobicContact CD1-CG2 3.84Å; F438-V832 HydrophobicContact CE1-CG2 3.87Å; F438-F929 HydrophobicContact CE1-CE1 4.46Å
439	H	96.2	Very high	95.6	Very high	27 Å²	27	21.5 Å²	21.5	13%	0.125	11%	0.111	C	C	.	.			trans	-86.6	119.1	-173.3	-75.6	-134.5	0	0	0	113.2	W423 H426 I434 V435 F461	W423-H439 HydrophobicContact CH2-CB 3.79Å; W423-H439 HydrophobicContact CZ3-CB 4.2Å; H426-H439 AromaticContact CE1-CE1 3.82Å; H426-H439 AromaticContact CE1-ND1 3.47Å; H426-H439 PolarHBondContact CE1-ND1 3.35Å; H426-H439 AromaticContact NE2-CE1 3.79Å; H426-H439 AromaticContact NE2-ND1 3.11Å; H426-H439 PolarHBondContact NE2-ND1 3.42Å; H426-H439 VanDerWaalsContact NE2-ND1 3.11Å; I434-H439 PolarHBondContact O-CD2 2.92Å; V435-H439 HydrophobicContact CB-CB 4.46Å; V435-H439 HydrophobicContact CG1-CB 3.89Å; V435-H439 PolarHBondContact O-N 2.68Å; H439-F461 CarbonylContact C-O 3.46Å; H439-F461 VanDerWaalsContact CA-O 3.28Å; H439-F461 WeakPolarHBondContact CA-O 3.31Å
440	G	94.4	Very high	95.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-174.6	163.7	0	0	0	0	0	112.1	F438 P460 F461 S826	F438-G440 PolarHBondContact O-N 2.99Å; G440-P460 VanDerWaalsContact O-CA 3.32Å; G440-P460 WeakPolarHBondContact O-CA 3.35Å; G440-F461 VanDerWaalsContact C-CD1 3.48Å; G440-F461 VanDerWaalsContact C-CE1 3.42Å; G440-F461 PolarHBondContact N-O 2.95Å; G440-F461 PolarHBondContact O-N 2.95Å; G440-S826 WeakPolarHBondContact CA-O 3.47Å
441	L	94.8	Very high	95.6	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	131.4	177.4	-163	72.4	0	0	0	110.1	A419 W423 F458 P460 F461 W825 S826	A419-L441 HydrophobicContact CB-CD2 3.95Å; W423-L441 HydrophobicContact CE3-CD1 4.25Å; L441-F458 HydrophobicContact CD1-CB 4.31Å; L441-F458 HydrophobicContact CD2-CB 4.01Å; L441-F458 HydrophobicContact CD2-CD1 4.02Å; L441-F458 HydrophobicContact CD2-CG 4.43Å; L441-F458 HydrophobicContact CG-CB 4.18Å; L441-F458 HydrophobicContact CG-CD1 4.37Å; L441-P460 HydrophobicContact CD1-CB 4.43Å; L441-F461 VanDerWaalsContact N-CE1 3.32Å; L441-W825 HydrophobicContact CD2-CG 4.46Å; L441-W825 WeakPolarHBondContact O-CB 3.46Å; L441-W825 PolarHBondContact O-N 3.03Å; L441-S826 VanDerWaalsContact CB-OG 3.27Å; L441-S826 WeakPolarHBondContact CB-OG 3.43Å; L441-S826 PolarHBondContact N-O 3.16Å; L441-S826 PolarHBondContact N-OG 2.78Å; L441-S826 PolarHBondContact O-N 2.95Å; L441-S826 VanDerWaalsContact O-N 3.07Å
442	F	94.6	Very high	95.6	Very high	37 Å²	37	26 Å²	26	16%	0.162	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	151.6	167.9	60.1	-116.2	0	0	0	111.3	S444 F458 D459 F461 L822 D823	F442-S444 WeakPolarHBondContact CE2-OG 3.25Å; F442-F458 CarbonylContact O-C 3.56Å; F442-F458 WeakPolarHBondContact O-CA 3.3Å; F442-D459 HydrophobicContact CD2-CB 4.06Å; F442-D459 HydrophobicContact CE2-CB 3.59Å; F442-D459 HydrophobicContact CZ-CB 4.1Å; F442-D459 PolarHBondContact N-O 2.79Å; F442-D459 PolarHBondContact O-N 3.28Å; F442-F461 HydrophobicContact CB-CD1 4.37Å; F442-F461 HydrophobicContact CD1-CB 3.89Å; F442-F461 AromaticContact CD1-CD1 3.54Å; F442-F461 HydrophobicContact CD1-CD1 3.54Å; F442-F461 HydrophobicContact CD1-CE1 4.4Å; F442-F461 AromaticContact CD1-CG 3.98Å; F442-F461 HydrophobicContact CD1-CG 3.98Å; F442-F461 HydrophobicContact CE1-CB 3.75Å; F442-F461 HydrophobicContact CE1-CD1 4.3Å; F442-F461 HydrophobicContact CE1-CG 4.34Å; F442-F461 HydrophobicContact CG-CD1 4.33Å; F442-L822 HydrophobicContact CD2-CD2 3.78Å; F442-L822 HydrophobicContact CE2-CD2 3.78Å; F442-D823 CarbonylContact C-O 3.44Å; F442-D823 VanDerWaalsContact CA-O 3.31Å; F442-D823 WeakPolarHBondContact CA-O 3.45Å; F442-D823 WeakPolarHBondContact CB-O 3.28Å
443	K	95.5	Very high	95.4	Very high	29 Å²	29	27.7 Å²	27.7	13%	0.126	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118	169.9	-177.1	-174.5	-176.6	179.1	0	108.6	D415 V456 T457 F458 L822 D823 I866	D415-K443 WeakPolarHBondContact OD1-CE 3.22Å; D415-K443 IonicContact OD1-NZ 3.16Å; D415-K443 PolarHBondContact OD1-NZ 2.73Å; D415-K443 IonicContact OD2-NZ 2.62Å; D415-K443 PolarHBondContact OD2-NZ 3.41Å; K443-V456 HydrophobicContact CD-CG1 4.33Å; K443-V456 VanDerWaalsContact CE-CG1 3.43Å; K443-V456 HydrophobicContact CG-CG1 3.96Å; K443-T457 CarbonylContact C-O 3.56Å; K443-T457 WeakPolarHBondContact CA-O 3.34Å; K443-F458 HydrophobicContact CB-CD1 3.99Å; K443-F458 HydrophobicContact CB-CE1 3.55Å; K443-F458 HydrophobicContact CB-CZ 3.93Å; K443-F458 HydrophobicContact CD-CE1 4.22Å; K443-F458 HydrophobicContact CD-CE2 4.46Å; K443-F458 HydrophobicContact CD-CZ 3.78Å; K443-F458 HydrophobicContact CG-CD1 4.42Å; K443-F458 HydrophobicContact CG-CE1 3.83Å; K443-F458 HydrophobicContact CG-CE2 4.08Å; K443-F458 HydrophobicContact CG-CZ 3.64Å; K443-L822 WeakPolarHBondContact O-CA 3.27Å; K443-D823 HydrophobicContact CB-CB 4.23Å; K443-D823 PolarHBondContact N-O 2.74Å; K443-D823 PolarHBondContact O-N 3.45Å; K443-I866 HydrophobicContact CB-CD1 4.05Å; K443-I866 HydrophobicContact CD-CD1 3.59Å; K443-I866 HydrophobicContact CG-CD1 4.48Å
444	S	95.5	Very high	95.3	Very high	8 Å²	8	32.5 Å²	32.5	6%	0.056	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	124.4	168.2	-62.5	0	0	0	0	109.5	F442 V456 T457 D459	F442-S444 WeakPolarHBondContact CE2-OG 3.25Å; S444-V456 VanDerWaalsContact O-CA 3.31Å; S444-V456 WeakPolarHBondContact O-CA 3.39Å; S444-T457 WeakPolarHBondContact CB-OG1 3.42Å; S444-T457 PolarHBondContact N-O 3.03Å; S444-T457 PolarHBondContact O-N 3.41Å; S444-D459 VanDerWaalsContact CB-OD2 3.25Å; S444-D459 WeakPolarHBondContact CB-OD2 3.48Å; S444-D459 PolarHBondContact OG-OD2 2.87Å
445	T	95.5	Very high	95.1	Very high	27 Å²	27	33.1 Å²	33.1	17%	0.166	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	114.4	169.3	-56.7	0	0	0	0	109.4	V447 I454 V456 K820 K821	T445-V447 HydrophobicContact CG2-CG2 4.44Å; T445-I454 HydrophobicContact CG2-CG2 3.9Å; T445-V456 HydrophobicContact CG2-CG2 4.22Å; T445-K820 CarbonylContact O-C 3.53Å; T445-K820 WeakPolarHBondContact O-CA 3.45Å; T445-K821 PolarHBondContact N-O 3.23Å; T445-K821 PolarHBondContact O-N 3.39Å
446	L	95.2	Very high	95.1	Very high	20 Å²	20	33.7 Å²	33.7	11%	0.105	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	138.6	174.6	-66.3	122.6	0	0	0	110	I454 S455 L801 W807 A818 T819 K820	L446-I454 CarbonylContact O-C 3.55Å; L446-I454 WeakPolarHBondContact O-CA 3.47Å; L446-S455 PolarHBondContact N-O 2.98Å; L446-S455 PolarHBondContact O-N 2.61Å; L446-L801 HydrophobicContact CD2-CD1 4.08Å; L446-W807 HydrophobicContact CD2-CB 4.06Å; L446-W807 HydrophobicContact CD2-CD2 4.42Å; L446-W807 HydrophobicContact CD2-CG 3.88Å; L446-A818 HydrophobicContact CD2-CB 4.4Å; L446-T819 WeakPolarHBondContact CA-O 3.4Å; L446-K820 HydrophobicContact CD2-CB 4.28Å; L446-K820 HydrophobicContact CD2-CG 4.35Å
447	V	96.3	Very high	95.1	Very high	35 Å²	35	34.1 Å²	34.1	21%	0.212	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	122.8	176.6	-169.2	0	0	0	0	110.2	T445 K453 I454 A818 T819	T445-V447 HydrophobicContact CG2-CG2 4.44Å; V447-K453 WeakPolarHBondContact CA-O 3.38Å; V447-I454 HydrophobicContact CG1-CG1 4.33Å; V447-I454 HydrophobicContact CG2-CG1 4.2Å; V447-I454 HydrophobicContact CG2-CG2 4.41Å; V447-A818 VanDerWaalsContact O-CA 3.31Å; V447-A818 WeakPolarHBondContact O-CA 3.47Å; V447-A818 WeakPolarHBondContact O-CB 3.25Å; V447-T819 PolarHBondContact N-O 3.06Å; V447-T819 PolarHBondContact O-N 3.35Å
448	C	95.6	Very high	95	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.02	20%	0.196	C	C	.	.			trans	-68	134	175.8	-169.6	0	0	0	0	111.2	A452 K453 W807 C809	C448-A452 WeakPolarHBondContact O-CA 3.31Å; C448-A452 PolarHBondContact O-N 3.09Å; C448-K453 PolarHBondContact N-O 3.37Å; C448-W807 HydrophobicContact CB-CZ3 4.03Å; C448-C809 VanDerWaalsContact SG-SG 3.61Å
449	P	95.1	Very high	94.9	Very high	67 Å²	67	36.5 Å²	36.5	44%	0.435	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-38.4	174.8	27.9	-33.5	0	0	0	112.2
450	E	94.8	Very high	94.8	Very high	138 Å²	138	37.8 Å²	37.8	65%	0.645	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-54	-172	-58	-52.4	121.3	0	0	113.3
451	C	95.2	Very high	94.9	Very high	52 Å²	52	38.4 Å²	38.4	35%	0.351	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	3.5	-174.3	72.4	0	0	0	0	114.4	K453	C451-K453 PolarHBondContact O-N 2.89Å
452	A	94.8	Very high	94.9	Very high	69 Å²	69	39.6 Å²	39.6	57%	0.57	23%	0.228	S	C	*	.			trans	53.5	11.2	-175.7	0	0	0	0	0	116.3	C448 I454	C448-A452 WeakPolarHBondContact O-CA 3.31Å; C448-A452 PolarHBondContact O-N 3.09Å; A452-I454 PolarHBondContact O-N 3.34Å; A452-I454 VanDerWaalsContact O-N 3.13Å
453	K	93.3	Very high	95.1	Very high	36 Å²	36	41.2 Å²	41.2	16%	0.157	23%	0.233	C	C	.	.			trans	-56.9	123.7	173.5	172	167.6	162.3	58.7	0	109.2	D409 V447 C448 C451 P810 N811	D409-K453 WeakPolarHBondContact OD2-CE 3.08Å; D409-K453 IonicContact OD2-NZ 3.38Å; D409-K453 PolarHBondContact OD2-NZ 3.28Å; V447-K453 WeakPolarHBondContact CA-O 3.38Å; C448-K453 PolarHBondContact N-O 3.37Å; C451-K453 PolarHBondContact O-N 2.89Å; K453-P810 HydrophobicContact CD-CG 4.22Å; K453-N811 WeakPolarHBondContact CD-OD1 3.03Å
454	I	94.3	Very high	95.1	Very high	102 Å²	102	39.9 Å²	39.9	52%	0.523	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	136	162.3	-49.9	-180	0	0	0	107.7	T445 L446 V447 A452 V456	T445-I454 HydrophobicContact CG2-CG2 3.9Å; L446-I454 CarbonylContact O-C 3.55Å; L446-I454 WeakPolarHBondContact O-CA 3.47Å; V447-I454 HydrophobicContact CG1-CG1 4.33Å; V447-I454 HydrophobicContact CG2-CG1 4.2Å; V447-I454 HydrophobicContact CG2-CG2 4.41Å; A452-I454 PolarHBondContact O-N 3.34Å; A452-I454 VanDerWaalsContact O-N 3.13Å; I454-V456 HydrophobicContact CG2-CG2 4.05Å
455	S	93.8	Very high	95.2	Very high	12 Å²	12	41.3 Å²	41.3	8%	0.084	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.9	172.3	-170.8	0	0	0	0	107.8	D409 L446	D409-S455 VanDerWaalsContact OD2-CA 3.31Å; D409-S455 WeakPolarHBondContact OD2-CA 3.37Å; D409-S455 WeakPolarHBondContact OD2-CB 3.48Å; D409-S455 PolarHBondContact OD2-OG 3.14Å; L446-S455 PolarHBondContact N-O 2.98Å; L446-S455 PolarHBondContact O-N 2.61Å
456	V	95.3	Very high	95.2	Very high	16 Å²	16	40 Å²	40	10%	0.097	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	121.8	-177.1	173.1	0	0	0	0	109.5	D409 A410 K443 S444 T445 I454 F458	D409-V456 PolarHBondContact OD1-N 3.42Å; A410-V456 HydrophobicContact CB-CB 3.74Å; A410-V456 HydrophobicContact CB-CG1 3.99Å; A410-V456 PolarHBondContact N-O 3.26Å; K443-V456 HydrophobicContact CD-CG1 4.33Å; K443-V456 VanDerWaalsContact CE-CG1 3.43Å; K443-V456 HydrophobicContact CG-CG1 3.96Å; S444-V456 VanDerWaalsContact O-CA 3.31Å; S444-V456 WeakPolarHBondContact O-CA 3.39Å; T445-V456 HydrophobicContact CG2-CG2 4.22Å; I454-V456 HydrophobicContact CG2-CG2 4.05Å; V456-F458 HydrophobicContact CG1-CD2 4.48Å; V456-F458 HydrophobicContact CG1-CE2 3.99Å
457	T	93.9	Very high	95	Very high	36 Å²	36	41 Å²	41	22%	0.221	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	159.9	172.2	54.5	0	0	0	0	110.2	K443 S444 D459	K443-T457 CarbonylContact C-O 3.56Å; K443-T457 WeakPolarHBondContact CA-O 3.34Å; S444-T457 WeakPolarHBondContact CB-OG1 3.42Å; S444-T457 PolarHBondContact N-O 3.03Å; S444-T457 PolarHBondContact O-N 3.41Å; T457-D459 PolarHBondContact OG1-OD1 3.07Å; T457-D459 PolarHBondContact OG1-OD2 3.41Å
458	F	94.7	Very high	94.7	Very high	11 Å²	11	39.5 Å²	39.5	5%	0.048	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	115.6	172.2	-78.1	-93.2	0	0	0	107.5	D415 V418 A419 A422 L441 F442 K443 V456 W825	D415-F458 HydrophobicContact CB-CE2 4.39Å; D415-F458 HydrophobicContact CB-CZ 3.81Å; V418-F458 HydrophobicContact CB-CD2 3.93Å; V418-F458 HydrophobicContact CB-CE2 3.97Å; V418-F458 HydrophobicContact CG1-CD2 3.75Å; V418-F458 HydrophobicContact CG1-CE2 4.19Å; A419-F458 HydrophobicContact CB-CD1 3.61Å; A419-F458 HydrophobicContact CB-CD2 4.34Å; A419-F458 HydrophobicContact CB-CE1 3.75Å; A419-F458 HydrophobicContact CB-CE2 4.47Å; A419-F458 HydrophobicContact CB-CG 3.92Å; A419-F458 HydrophobicContact CB-CZ 4.19Å; A422-F458 HydrophobicContact CB-CB 3.69Å; A422-F458 WeakPolarHBondContact CB-O 3.29Å; L441-F458 HydrophobicContact CD1-CB 4.31Å; L441-F458 HydrophobicContact CD2-CB 4.01Å; L441-F458 HydrophobicContact CD2-CD1 4.02Å; L441-F458 HydrophobicContact CD2-CG 4.43Å; L441-F458 HydrophobicContact CG-CB 4.18Å; L441-F458 HydrophobicContact CG-CD1 4.37Å; F442-F458 CarbonylContact O-C 3.56Å; F442-F458 WeakPolarHBondContact O-CA 3.3Å; K443-F458 HydrophobicContact CB-CD1 3.99Å; K443-F458 HydrophobicContact CB-CE1 3.55Å; K443-F458 HydrophobicContact CB-CZ 3.93Å; K443-F458 HydrophobicContact CD-CE1 4.22Å; K443-F458 HydrophobicContact CD-CE2 4.46Å; K443-F458 HydrophobicContact CD-CZ 3.78Å; K443-F458 HydrophobicContact CG-CD1 4.42Å; K443-F458 HydrophobicContact CG-CE1 3.83Å; K443-F458 HydrophobicContact CG-CE2 4.08Å; K443-F458 HydrophobicContact CG-CZ 3.64Å; V456-F458 HydrophobicContact CG1-CD2 4.48Å; V456-F458 HydrophobicContact CG1-CE2 3.99Å; F458-W825 HydrophobicContact CD1-CB 4.2Å; F458-W825 HydrophobicContact CD1-CD2 4.35Å; F458-W825 HydrophobicContact CD1-CG 4.07Å; F458-W825 HydrophobicContact CE1-CB 4.02Å; F458-W825 AromaticContact CE1-CD2 3.61Å; F458-W825 HydrophobicContact CE1-CD2 3.61Å; F458-W825 AromaticContact CE1-CE3 3.64Å; F458-W825 HydrophobicContact CE1-CE3 3.64Å; F458-W825 AromaticContact CE1-CG 3.75Å; F458-W825 HydrophobicContact CE1-CG 3.75Å; F458-W825 HydrophobicContact CE1-CZ3 4.41Å; F458-W825 HydrophobicContact CZ-CD2 4.44Å; F458-W825 HydrophobicContact CZ-CE3 4.15Å
459	D	93.6	Very high	93.8	Very high	39 Å²	39	42 Å²	42	21%	0.209	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.7	-163.7	-52.3	-68.2	0	0	0	109.8	F442 S444 T457	F442-D459 HydrophobicContact CD2-CB 4.06Å; F442-D459 HydrophobicContact CE2-CB 3.59Å; F442-D459 HydrophobicContact CZ-CB 4.1Å; F442-D459 PolarHBondContact N-O 2.79Å; F442-D459 PolarHBondContact O-N 3.28Å; S444-D459 VanDerWaalsContact CB-OD2 3.25Å; S444-D459 WeakPolarHBondContact CB-OD2 3.48Å; S444-D459 PolarHBondContact OG-OD2 2.87Å; T457-D459 PolarHBondContact OG1-OD1 3.07Å; T457-D459 PolarHBondContact OG1-OD2 3.41Å
460	P	94.7	Very high	92.5	Very high	54 Å²	54	43.7 Å²	43.7	35%	0.351	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	148.5	-176	31.8	-35.2	0	0	0	111.8	G440 L441	G440-P460 VanDerWaalsContact O-CA 3.32Å; G440-P460 WeakPolarHBondContact O-CA 3.35Å; L441-P460 HydrophobicContact CD1-CB 4.43Å
461	F	96.6	Very high	91.2	Very high	13 Å²	13	44.4 Å²	44.4	6%	0.057	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	145.4	177.8	73.3	-91.8	0	0	0	111.8	H439 G440 L441 F442 L464 L824 L827 L831	H439-F461 CarbonylContact C-O 3.46Å; H439-F461 VanDerWaalsContact CA-O 3.28Å; H439-F461 WeakPolarHBondContact CA-O 3.31Å; G440-F461 VanDerWaalsContact C-CD1 3.48Å; G440-F461 VanDerWaalsContact C-CE1 3.42Å; G440-F461 PolarHBondContact N-O 2.95Å; G440-F461 PolarHBondContact O-N 2.95Å; L441-F461 VanDerWaalsContact N-CE1 3.32Å; F442-F461 HydrophobicContact CB-CD1 4.37Å; F442-F461 HydrophobicContact CD1-CB 3.89Å; F442-F461 AromaticContact CD1-CD1 3.54Å; F442-F461 HydrophobicContact CD1-CD1 3.54Å; F442-F461 HydrophobicContact CD1-CE1 4.4Å; F442-F461 AromaticContact CD1-CG 3.98Å; F442-F461 HydrophobicContact CD1-CG 3.98Å; F442-F461 HydrophobicContact CE1-CB 3.75Å; F442-F461 HydrophobicContact CE1-CD1 4.3Å; F442-F461 HydrophobicContact CE1-CG 4.34Å; F442-F461 HydrophobicContact CG-CD1 4.33Å; F461-L464 HydrophobicContact CD2-CD2 3.7Å; F461-L464 HydrophobicContact CD2-CG 4.2Å; F461-L464 HydrophobicContact CE1-CD2 4.38Å; F461-L464 HydrophobicContact CE2-CD2 3.58Å; F461-L464 HydrophobicContact CE2-CG 3.8Å; F461-L464 HydrophobicContact CG-CD2 4.2Å; F461-L464 HydrophobicContact CZ-CD2 3.93Å; F461-L464 HydrophobicContact CZ-CG 4.37Å; F461-L824 HydrophobicContact CE1-CD2 4.49Å; F461-L827 HydrophobicContact CZ-CD2 3.83Å; F461-L831 HydrophobicContact CE2-CD1 4Å
462	C	95.6	Very high	89.9	Confident	28 Å²	28	50.5 Å²	50.5	19%	0.189	27%	0.267	C	S	.	.	S	Bend	trans	-106	-9.1	175.4	54.8	0	0	0	0	114.3	L389 F438	L389-C462 HydrophobicContact CD1-CB 4.44Å; F438-C462 HydrophobicContact CB-CB 4.4Å; F438-C462 WeakPolarHBondContact O-CA 3.42Å
463	Y	97.1	Very high	89.2	Confident	70 Å²	70	52.8 Å²	52.8	28%	0.275	27%	0.266	S	S	.	.	S	Bend	trans	-156.6	160.5	170.9	57.5	-88.2	0	0	0	110.3	Q382 A386 L389 V832	Q382-Y463 PolarHBondContact NE2-OH 2.8Å; A386-Y463 HydrophobicContact CB-CE1 3.75Å; A386-Y463 WeakPolarHBondContact CB-OH 3.47Å; L389-Y463 HydrophobicContact CD1-CD1 4.28Å; Y463-V832 CarbonylContact C-O 3.53Å; Y463-V832 WeakPolarHBondContact CA-O 3.34Å
464	L	96.9	Very high	88.6	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.9	171.3	-62.8	-179.8	0	0	0	110.1	F461 L466 F795 L824 L831 V832 V833 H834	F461-L464 HydrophobicContact CD2-CD2 3.7Å; F461-L464 HydrophobicContact CD2-CG 4.2Å; F461-L464 HydrophobicContact CE1-CD2 4.38Å; F461-L464 HydrophobicContact CE2-CD2 3.58Å; F461-L464 HydrophobicContact CE2-CG 3.8Å; F461-L464 HydrophobicContact CG-CD2 4.2Å; F461-L464 HydrophobicContact CZ-CD2 3.93Å; F461-L464 HydrophobicContact CZ-CG 4.37Å; L464-L466 HydrophobicContact CB-CD2 4.25Å; L464-F795 HydrophobicContact CD2-CE1 4.01Å; L464-F795 HydrophobicContact CD2-CZ 4Å; L464-L824 HydrophobicContact CD1-CD1 4.41Å; L464-L824 HydrophobicContact CD1-CD2 4.14Å; L464-L824 HydrophobicContact CD2-CD2 3.99Å; L464-L831 HydrophobicContact CD1-CD1 3.97Å; L464-L831 HydrophobicContact CG-CD1 4.09Å; L464-V832 PolarHBondContact N-O 3.48Å; L464-V833 CarbonylContact O-C 3.58Å; L464-H834 PolarHBondContact O-N 2.97Å
465	T	96.9	Very high	88.1	Confident	37 Å²	37	50.8 Å²	50.8	23%	0.227	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	99.5	170.5	-71.8	0	0	0	0	108.8	F795 H834 K836	T465-F795 WeakPolarHBondContact O-CD2 3.43Å; T465-H834 VanDerWaalsContact CG2-ND1 3.35Å; T465-H834 WeakPolarHBondContact CG2-ND1 3.31Å; T465-H834 PolarHBondContact OG1-ND1 3.01Å; T465-K836 HydrophobicContact CG2-CB 3.99Å; T465-K836 HydrophobicContact CG2-CD 4.02Å; T465-K836 HydrophobicContact CG2-CG 4.19Å
466	L	95.4	Very high	88	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	129.3	-176.3	-58.3	-176.9	0	0	0	111.4	L464 L788 C791 I792 F795 V833 H834 K836	L464-L466 HydrophobicContact CB-CD2 4.25Å; L466-L788 HydrophobicContact CD1-CD1 3.71Å; L466-C791 HydrophobicContact CB-CB 4.11Å; L466-C791 HydrophobicContact CD1-CB 4.04Å; L466-I792 HydrophobicContact CD1-CG1 3.7Å; L466-I792 HydrophobicContact CD2-CG1 4.16Å; L466-F795 HydrophobicContact CD2-CB 3.67Å; L466-F795 HydrophobicContact CD2-CD1 4.36Å; L466-F795 HydrophobicContact CD2-CD2 4.15Å; L466-F795 HydrophobicContact CD2-CG 3.81Å; L466-V833 HydrophobicContact CD1-CG1 3.38Å; L466-V833 HydrophobicContact CG-CG1 3.77Å; L466-H834 PolarHBondContact N-O 2.68Å; L466-K836 VanDerWaalsContact O-CB 3.22Å; L466-K836 WeakPolarHBondContact O-CB 3.43Å; L466-K836 PolarHBondContact O-N 3.03Å
467	P	91.9	Very high	87.8	Confident	40 Å²	40	54.1 Å²	54.1	26%	0.26	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	139.8	170	31	-33.7	0	0	0	110.3	L794	P467-L794 HydrophobicContact CB-CD2 4.06Å; P467-L794 HydrophobicContact CB-CG 4.37Å; P467-L794 HydrophobicContact CG-CB 4.17Å; P467-L794 HydrophobicContact CG-CD2 3.95Å; P467-L794 HydrophobicContact CG-CG 3.76Å
468	L	88.4	Confident	87.9	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.026	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-90.4	142.3	169.5	-58.5	-175.8	0	0	0	109.8	M470 C791 L835 R837 L848 V852	L468-M470 PolarHBondContact O-N 2.85Å; L468-C791 VanDerWaalsContact CD2-SG 3.6Å; L468-L835 HydrophobicContact CD2-CB 4.34Å; L468-L835 HydrophobicContact CD2-CD2 4.26Å; L468-R837 HydrophobicContact CD1-CG 3.81Å; L468-L848 HydrophobicContact CB-CD1 3.93Å; L468-L848 HydrophobicContact CD1-CB 4.03Å; L468-L848 HydrophobicContact CD1-CD1 4.39Å; L468-V852 HydrophobicContact CD1-CG2 4.49Å; L468-V852 HydrophobicContact CD2-CG2 3.75Å
469	P	78.6	Confident	87.9	Confident	55 Å²	55	53.4 Å²	53.4	36%	0.357	27%	0.268	S	S	.	.			trans	-57.5	100.1	174.9	-27.3	35.9	0	0	0	112.3	K471 V786 L794	P469-K471 PolarHBondContact O-N 2.89Å; P469-V786 HydrophobicContact CG-CG1 3.78Å; P469-V786 HydrophobicContact CG-CG2 4.23Å; P469-L794 HydrophobicContact CG-CD2 4.13Å
470	M	67.8	Low	88	Confident	102 Å²	102	51.6 Å²	51.6	50%	0.502	26%	0.258	S	S	.	.			trans	-70.9	128.5	179.5	-64.5	-174	77.4	0	0	110.4	L468 K472 L848	L468-M470 PolarHBondContact O-N 2.85Å; M470-K472 PolarHBondContact O-N 2.86Å; M470-L848 HydrophobicContact CG-CD1 4.12Å
471	K	65.8	Low	87.9	Confident	153 Å²	153	49.7 Å²	49.7	67%	0.665	25%	0.245	S	C	*	.			trans	-64.2	116.6	163.3	-65.8	-176.9	-178.5	177.9	0	108	P469 E473	P469-K471 PolarHBondContact O-N 2.89Å; K471-E473 PolarHBondContact O-N 3.44Å
472	K	69.1	Low	87.6	Confident	181 Å²	181	52.8 Å²	52.8	79%	0.787	26%	0.257	S	S	*	.	S	Bend	trans	-68.9	-13.9	175.9	-63.3	-175.2	179.2	-178.3	0	112.7	M470 P497 K498	M470-K472 PolarHBondContact O-N 2.86Å; K472-P497 CarbonylContact O-C 2.98Å; K472-P497 WeakPolarHBondContact O-CA 3.39Å; K472-K498 PolarHBondContact O-N 3.11Å
473	E	79.6	Confident	87	Confident	117 Å²	117	54 Å²	54	55%	0.547	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	151.1	-175.3	-67.6	154.8	-163.1	0	0	111.1	K471 I495 V496	K471-E473 PolarHBondContact O-N 3.44Å; E473-I495 HydrophobicContact CB-CG2 3.76Å; E473-I495 HydrophobicContact CG-CG2 4.06Å; E473-I495 WeakPolarHBondContact OE2-CG2 3.32Å; E473-V496 CarbonylContact C-O 3.5Å; E473-V496 WeakPolarHBondContact CA-O 3.48Å
474	R	79.8	Confident	86.4	Confident	30 Å²	30	54.1 Å²	54.1	11%	0.113	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	155.6	165.9	67.2	-173.6	-66.4	-156.9	0.5	109.4	V496 K498 L540 I543	R474-V496 HydrophobicContact CG-CG2 3.79Å; R474-V496 PolarHBondContact N-O 2.92Å; R474-V496 PolarHBondContact O-N 2.84Å; R474-K498 HydrophobicContact CB-CG 3.99Å; R474-K498 HydrophobicContact CG-CG 4.43Å; R474-L540 PolarHBondContact NH1-O 3.08Å; R474-I543 PolarHBondContact NH1-O 2.93Å; R474-I543 PolarHBondContact NH2-O 3.38Å; R474-I543 VanDerWaalsContact NH2-O 3.1Å
475	S	85.8	Confident	85.8	Confident	65 Å²	65	55.8 Å²	55.8	46%	0.455	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	138.4	163.7	53.8	0	0	0	0	109.9	V494	S475-V494 CarbonylContact C-O 3.56Å; S475-V494 VanDerWaalsContact CA-O 3.25Å; S475-V494 WeakPolarHBondContact CA-O 3.33Å
476	L	89.7	Confident	85.3	Confident	11 Å²	11	59.6 Å²	59.6	6%	0.058	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	152.8	162.8	-66.4	176.2	0	0	0	109	V478 K493 V494 V496 L505 L540 I543	L476-V478 HydrophobicContact CB-CG1 4.25Å; L476-K493 WeakPolarHBondContact O-CA 3.3Å; L476-V494 HydrophobicContact CB-CG2 3.93Å; L476-V494 PolarHBondContact N-O 2.9Å; L476-V494 PolarHBondContact O-N 3.36Å; L476-V496 HydrophobicContact CD1-CG2 3.88Å; L476-V496 HydrophobicContact CG-CG2 4.04Å; L476-L505 HydrophobicContact CD1-CD1 4.32Å; L476-L505 HydrophobicContact CD1-CD2 4.26Å; L476-L540 HydrophobicContact CD1-CD2 4.44Å; L476-I543 HydrophobicContact CD1-CD1 4.35Å; L476-I543 HydrophobicContact CD1-CG2 4.4Å; L476-I543 HydrophobicContact CD2-CG2 3.89Å
477	E	92.4	Very high	85	Confident	87 Å²	87	63.5 Å²	63.5	41%	0.407	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.9	166.5	-72.9	176.9	-148	0	0	107.5	Q491 Y492 K493	E477-Q491 PolarHBondContact OE2-NE2 3.02Å; E477-Y492 WeakPolarHBondContact CA-O 3.48Å; E477-K493 HydrophobicContact CG-CB 4.3Å; E477-K493 HydrophobicContact CG-CG 3.97Å; E477-K493 IonicContact OE1-NZ 3.71Å; E477-K493 PolarHBondContact OE1-NZ 2.7Å
478	V	95.2	Very high	84.9	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	144.7	-172.3	-58.7	0	0	0	0	110.4	L476 Q491 Y492 V494 L505 L509 I549 V551	L476-V478 HydrophobicContact CB-CG1 4.25Å; V478-Q491 WeakPolarHBondContact O-CA 3.39Å; V478-Y492 PolarHBondContact N-O 3.25Å; V478-Y492 PolarHBondContact O-N 3.33Å; V478-V494 HydrophobicContact CG1-CG2 4.44Å; V478-V494 HydrophobicContact CG2-CG1 4.34Å; V478-V494 HydrophobicContact CG2-CG2 4.21Å; V478-L505 HydrophobicContact CG1-CD1 4.1Å; V478-L509 HydrophobicContact CG2-CD1 4.14Å; V478-L509 HydrophobicContact CG2-CD2 4.1Å; V478-I549 WeakPolarHBondContact CA-O 3.42Å; V478-I549 HydrophobicContact CB-CG2 4.32Å; V478-I549 HydrophobicContact CG1-CB 4.03Å; V478-I549 HydrophobicContact CG1-CG2 3.75Å; V478-V551 HydrophobicContact CB-CG2 4.3Å
479	Y	95.2	Very high	85.1	Confident	32 Å²	32	64.4 Å²	64.4	13%	0.125	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	111.4	-178.9	-59.1	-84.2	0	0	0	110.4	Q491 I549 Y550 V551 F770	Y479-Q491 HydrophobicContact CD1-CB 3.8Å; Y479-Q491 HydrophobicContact CD1-CG 3.89Å; Y479-Q491 HydrophobicContact CE1-CB 3.84Å; Y479-Q491 HydrophobicContact CE1-CG 3.64Å; Y479-I549 PolarHBondContact N-O 2.88Å; Y479-Y550 HydrophobicContact CD1-CE1 4.37Å; Y479-Y550 HydrophobicContact CD2-CD1 4.21Å; Y479-Y550 HydrophobicContact CD2-CD2 4.32Å; Y479-Y550 AromaticContact CD2-CE1 3.77Å; Y479-Y550 HydrophobicContact CD2-CE1 3.77Å; Y479-Y550 AromaticContact CD2-CE2 3.93Å; Y479-Y550 HydrophobicContact CD2-CE2 3.93Å; Y479-Y550 HydrophobicContact CD2-CG 4.45Å; Y479-Y550 AromaticContact CD2-CZ 3.62Å; Y479-Y550 HydrophobicContact CE2-CE2 4.41Å; Y479-Y550 HydrophobicContact CG-CD1 4.06Å; Y479-Y550 AromaticContact CG-CE1 3.6Å; Y479-Y550 HydrophobicContact CG-CE1 3.6Å; Y479-Y550 AromaticContact CG-CZ 3.91Å; Y479-Y550 WeakPolarHBondContact O-CA 3.4Å; Y479-V551 PolarHBondContact O-N 3.49Å; Y479-F770 HydrophobicContact CD1-CD2 4.31Å; Y479-F770 AromaticContact CE1-CD2 3.99Å; Y479-F770 HydrophobicContact CE1-CD2 3.99Å; Y479-F770 HydrophobicContact CE1-CE1 4.38Å; Y479-F770 AromaticContact CE1-CE2 3.82Å; Y479-F770 HydrophobicContact CE1-CE2 3.82Å; Y479-F770 HydrophobicContact CE1-CG 4.34Å; Y479-F770 HydrophobicContact CE1-CZ 4.03Å
480	L	95.1	Very high	85.9	Confident	2 Å²	2	64 Å²	64	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	116.4	177	179.3	61	0	0	0	110.2	P489 M490 Y492 L509 V515 V551	L480-P489 WeakPolarHBondContact O-CA 3.48Å; L480-M490 PolarHBondContact N-O 3.09Å; L480-M490 PolarHBondContact O-N 2.94Å; L480-Y492 HydrophobicContact CB-CD2 3.96Å; L480-Y492 HydrophobicContact CB-CE2 3.83Å; L480-Y492 HydrophobicContact CD2-CE2 3.81Å; L480-Y492 HydrophobicContact CG-CE2 4.47Å; L480-L509 HydrophobicContact CD1-CD2 4.28Å; L480-V515 HydrophobicContact CD2-CG2 4.07Å; L480-V551 WeakPolarHBondContact CA-O 3.35Å; L480-V551 HydrophobicContact CD1-CB 4.4Å; L480-V551 HydrophobicContact CD1-CG1 4.39Å
481	V	92.9	Very high	87.2	Confident	14 Å²	14	59.6 Å²	59.6	9%	0.085	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	114.7	175.7	-174	0	0	0	0	109.2	P489 Y550 V551 F552 E553	V481-P489 HydrophobicContact CG2-CB 4.3Å; V481-P489 HydrophobicContact CG2-CG 4.44Å; V481-Y550 HydrophobicContact CG2-CD1 3.93Å; V481-V551 PolarHBondContact N-O 2.84Å; V481-F552 HydrophobicContact CB-CD1 3.72Å; V481-F552 HydrophobicContact CB-CE1 3.86Å; V481-F552 HydrophobicContact CB-CG 4.36Å; V481-F552 HydrophobicContact CG1-CD1 3.85Å; V481-F552 HydrophobicContact CG1-CE1 3.81Å; V481-F552 HydrophobicContact CG2-CD1 4.2Å; V481-F552 HydrophobicContact CG2-CE1 3.9Å; V481-F552 HydrophobicContact CG2-CZ 4.2Å; V481-E553 PolarHBondContact O-N 3.32Å
482	R	90.3	Very high	88.6	Confident	78 Å²	78	53.1 Å²	53.1	29%	0.294	26%	0.259	S	S	.	.			trans	-76.6	164.4	-177.8	-58.3	-68.7	-98.3	130.9	-15.1	112.1	I487 E553 R613	R482-I487 HydrophobicContact CB-CB 4.41Å; R482-I487 HydrophobicContact CB-CG2 4.4Å; R482-I487 HydrophobicContact CG-CG2 3.99Å; R482-E553 WeakPolarHBondContact CA-OE2 3.17Å; R482-E553 IonicContact CZ-OE2 2.59Å; R482-E553 IonicContact NH1-OE1 2.69Å; R482-E553 PolarHBondContact NH1-OE1 3.05Å; R482-E553 IonicContact NH1-OE2 2.84Å; R482-E553 PolarHBondContact NH1-OE2 3.2Å; R482-R613 PolarHBondContact O-NH1 2.76Å; R482-R613 PolarHBondContact O-NH2 2.79Å; R482-R613 VanDerWaalsContact O-NH2 3.11Å
483	M	82.9	Confident	89.7	Confident	54 Å²	54	46.9 Å²	46.9	27%	0.266	23%	0.232	S	C	.	.	S	Bend	trans	-71.3	-26.7	172.9	-83.5	-65.8	-57.2	0	0	113.8	E553 R613	M483-E553 HydrophobicContact CG-CB 4.16Å; M483-E553 HydrophobicContact CG-CG 3.8Å; M483-E553 PolarHBondContact N-OE2 2.75Å; M483-E553 VanDerWaalsContact SD-O 3.32Å; M483-R613 PolarHBondContact O-NH1 3.01Å
484	D	85.8	Confident	90.3	Very high	72 Å²	72	41.4 Å²	41.4	39%	0.385	21%	0.206	S	C	.	.	S	Bend	trans	-74.6	121.8	173.4	-171.7	-27.1	0	0	0	110	L486 I487	D484-L486 VanDerWaalsContact C-N 3.28Å; D484-L486 PolarHBondContact O-N 3.11Å; D484-L486 WeakPolarHBondContact OD1-CB 3.41Å; D484-L486 PolarHBondContact OD1-N 3.29Å; D484-I487 HydrophobicContact CB-CB 4.37Å; D484-I487 HydrophobicContact CB-CD1 3.78Å; D484-I487 HydrophobicContact CB-CG1 3.86Å; D484-I487 PolarHBondContact O-N 2.68Å
485	P	83.1	Confident	90.8	Very high	36 Å²	36	44.1 Å²	44.1	23%	0.234	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-12.9	-179.8	32	-37	0	0	0	114.7	L612 R613 R616	P485-L612 WeakPolarHBondContact CB-O 3.3Å; P485-L612 WeakPolarHBondContact CG-O 3.5Å; P485-R613 WeakPolarHBondContact CB-O 3.35Å; P485-R616 WeakPolarHBondContact O-CB 3.41Å
486	L	86.3	Confident	90.9	Very high	118 Å²	118	41.1 Å²	41.1	62%	0.618	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-22.5	176.8	-60.5	176.7	0	0	0	112.3	D484	D484-L486 VanDerWaalsContact C-N 3.28Å; D484-L486 PolarHBondContact O-N 3.11Å; D484-L486 WeakPolarHBondContact OD1-CB 3.41Å; D484-L486 PolarHBondContact OD1-N 3.29Å
487	I	89.1	Confident	90.7	Very high	82 Å²	82	42.8 Å²	42.8	42%	0.421	21%	0.213	S	C	.	.	S	Bend	trans	-79.2	128.7	176	-58.4	179.3	0	0	0	108.8	R482 D484	R482-I487 HydrophobicContact CB-CB 4.41Å; R482-I487 HydrophobicContact CB-CG2 4.4Å; R482-I487 HydrophobicContact CG-CG2 3.99Å; D484-I487 HydrophobicContact CB-CB 4.37Å; D484-I487 HydrophobicContact CB-CD1 3.78Å; D484-I487 HydrophobicContact CB-CG1 3.86Å; D484-I487 PolarHBondContact O-N 2.68Å
488	K	90.5	Very high	89.9	Confident	56 Å²	56	41.8 Å²	41.8	24%	0.243	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-65.2	154.1	175.9	-49.1	-166.4	-164.8	-178.1	0	111.2	M490 D769 E771	K488-M490 PolarHBondContact O-N 3.31Å; K488-D769 WeakPolarHBondContact CD-OD2 3.19Å; K488-D769 WeakPolarHBondContact CE-OD2 3.49Å; K488-D769 IonicContact NZ-OD1 2.64Å; K488-D769 PolarHBondContact NZ-OD1 2.98Å; K488-D769 IonicContact NZ-OD2 3.38Å; K488-D769 PolarHBondContact NZ-OD2 3.46Å; K488-E771 HydrophobicContact CD-CG 4.07Å; K488-E771 VanDerWaalsContact CD-OE1 3.3Å; K488-E771 WeakPolarHBondContact CD-OE1 3.18Å; K488-E771 WeakPolarHBondContact CE-OE1 3.29Å; K488-E771 IonicContact NZ-OE1 2.77Å
489	P	93.3	Very high	88.9	Confident	7 Å²	7	49 Å²	49	5%	0.045	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-52.3	141.3	161.4	-22.5	33.9	0	0	0	110.2	L480 V481 F770 E771	L480-P489 WeakPolarHBondContact O-CA 3.48Å; V481-P489 HydrophobicContact CG2-CB 4.3Å; V481-P489 HydrophobicContact CG2-CG 4.44Å; P489-F770 HydrophobicContact CB-CB 4.16Å; P489-F770 CarbonylContact O-C 3.45Å; P489-F770 WeakPolarHBondContact O-CA 3.22Å; P489-F770 WeakPolarHBondContact O-CB 3.5Å; P489-E771 PolarHBondContact O-N 3.12Å
490	M	94.5	Very high	88.3	Confident	48 Å²	48	48 Å²	48	24%	0.236	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.6	178.6	-176.4	173.5	-75.6	0	0	110.5	L480 K488 Y492 E771 H773	L480-M490 PolarHBondContact N-O 3.09Å; L480-M490 PolarHBondContact O-N 2.94Å; K488-M490 PolarHBondContact O-N 3.31Å; M490-Y492 HydrophobicContact CB-CD2 4.49Å; M490-Y492 HydrophobicContact CB-CE2 3.88Å; M490-Y492 HydrophobicContact CG-CD2 4.19Å; M490-Y492 HydrophobicContact CG-CE2 3.61Å; M490-Y492 VanDerWaalsContact O-CD2 3.31Å; M490-Y492 WeakPolarHBondContact O-CD2 3.18Å; M490-Y492 HydrophobicContact SD-CE2 3.81Å; M490-Y492 PolarHBondContact SD-OH 3.48Å; M490-Y492 VanDerWaalsContact SD-OH 3.41Å; M490-E771 CarbonylContact C-O 3.59Å; M490-E771 WeakPolarHBondContact CA-O 3.44Å; M490-E771 HydrophobicContact CE-CB 4.19Å; M490-H773 HydrophobicContact CG-CB 4.21Å; M490-H773 HydrophobicContact SD-CB 4.15Å
491	Q	95.6	Very high	88.2	Confident	9 Å²	9	50.2 Å²	50.2	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.3	175.7	-164.8	-170.5	25.9	0	0	109.9	E477 V478 Y479 F770 E771 K772 H773 V776	E477-Q491 PolarHBondContact OE2-NE2 3.02Å; V478-Q491 WeakPolarHBondContact O-CA 3.39Å; Y479-Q491 HydrophobicContact CD1-CB 3.8Å; Y479-Q491 HydrophobicContact CD1-CG 3.89Å; Y479-Q491 HydrophobicContact CE1-CB 3.84Å; Y479-Q491 HydrophobicContact CE1-CG 3.64Å; Q491-F770 HydrophobicContact CB-CD2 3.98Å; Q491-F770 HydrophobicContact CB-CE2 3.93Å; Q491-F770 HydrophobicContact CG-CE2 4.48Å; Q491-E771 PolarHBondContact N-O 2.92Å; Q491-K772 HydrophobicContact CB-CG 4.34Å; Q491-K772 VanDerWaalsContact OE1-CE 3.26Å; Q491-H773 WeakPolarHBondContact O-CB 3.22Å; Q491-H773 PolarHBondContact O-N 2.88Å; Q491-V776 HydrophobicContact CB-CG2 4.41Å; Q491-V776 HydrophobicContact CG-CG2 4.23Å; Q491-V776 VanDerWaalsContact O-CG2 3.27Å; Q491-V776 WeakPolarHBondContact O-CG2 3.27Å
492	Y	94.6	Very high	88.1	Confident	17 Å²	17	49.5 Å²	49.5	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.2	171.2	-72.1	-103.6	0	0	0	109.6	E477 V478 L480 M490 L509 L512 H773	E477-Y492 WeakPolarHBondContact CA-O 3.48Å; V478-Y492 PolarHBondContact N-O 3.25Å; V478-Y492 PolarHBondContact O-N 3.33Å; L480-Y492 HydrophobicContact CB-CD2 3.96Å; L480-Y492 HydrophobicContact CB-CE2 3.83Å; L480-Y492 HydrophobicContact CD2-CE2 3.81Å; L480-Y492 HydrophobicContact CG-CE2 4.47Å; M490-Y492 HydrophobicContact CB-CD2 4.49Å; M490-Y492 HydrophobicContact CB-CE2 3.88Å; M490-Y492 HydrophobicContact CG-CD2 4.19Å; M490-Y492 HydrophobicContact CG-CE2 3.61Å; M490-Y492 VanDerWaalsContact O-CD2 3.31Å; M490-Y492 WeakPolarHBondContact O-CD2 3.18Å; M490-Y492 HydrophobicContact SD-CE2 3.81Å; M490-Y492 PolarHBondContact SD-OH 3.48Å; M490-Y492 VanDerWaalsContact SD-OH 3.41Å; Y492-L509 HydrophobicContact CD1-CD1 3.86Å; Y492-L509 HydrophobicContact CD2-CD1 3.77Å; Y492-L509 HydrophobicContact CE1-CD1 4.43Å; Y492-L509 HydrophobicContact CE2-CD1 4.38Å; Y492-L509 HydrophobicContact CG-CD1 3.5Å; Y492-L509 VanDerWaalsContact CG-CD1 3.5Å; Y492-L512 HydrophobicContact CD1-CB 3.9Å; Y492-L512 HydrophobicContact CD1-CD1 4.11Å; Y492-L512 HydrophobicContact CE1-CB 3.89Å; Y492-H773 HydrophobicContact CD1-CB 3.79Å; Y492-H773 AromaticContact CD1-CG 3.54Å; Y492-H773 AromaticContact CD1-ND1 3.48Å; Y492-H773 WeakPolarHBondContact CD1-ND1 3.45Å; Y492-H773 HydrophobicContact CD2-CB 4.43Å; Y492-H773 HydrophobicContact CE1-CB 3.86Å; Y492-H773 AromaticContact CE1-CD2 3.53Å; Y492-H773 AromaticContact CE1-CE1 3.88Å; Y492-H773 AromaticContact CE1-CG 3.39Å; Y492-H773 AromaticContact CE1-ND1 3.61Å; Y492-H773 AromaticContact CE1-NE2 3.85Å; Y492-H773 HydrophobicContact CE2-CB 4.47Å; Y492-H773 HydrophobicContact CG-CB 4.08Å
493	K	92.6	Very high	88.2	Confident	49 Å²	49	49.9 Å²	49.9	21%	0.213	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.5	157.9	-160.4	-171.3	-148.9	82	0	107.9	L476 E477 S775 V776	L476-K493 WeakPolarHBondContact O-CA 3.3Å; E477-K493 HydrophobicContact CG-CB 4.3Å; E477-K493 HydrophobicContact CG-CG 3.97Å; E477-K493 IonicContact OE1-NZ 3.71Å; E477-K493 PolarHBondContact OE1-NZ 2.7Å; K493-S775 WeakPolarHBondContact CB-O 3.32Å; K493-S775 PolarHBondContact N-OG 2.8Å; K493-S775 WeakPolarHBondContact O-CB 3.47Å; K493-S775 PolarHBondContact O-OG 2.93Å; K493-V776 HydrophobicContact CB-CG2 4.29Å
494	V	92.1	Very high	88.7	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	146.3	-177.6	-67.9	0	0	0	0	109.9	S475 L476 V478 V496 L505 A508 L509 L512	S475-V494 CarbonylContact C-O 3.56Å; S475-V494 VanDerWaalsContact CA-O 3.25Å; S475-V494 WeakPolarHBondContact CA-O 3.33Å; L476-V494 HydrophobicContact CB-CG2 3.93Å; L476-V494 PolarHBondContact N-O 2.9Å; L476-V494 PolarHBondContact O-N 3.36Å; V478-V494 HydrophobicContact CG1-CG2 4.44Å; V478-V494 HydrophobicContact CG2-CG1 4.34Å; V478-V494 HydrophobicContact CG2-CG2 4.21Å; V494-V496 HydrophobicContact CG2-CG1 4.25Å; V494-L505 HydrophobicContact CG2-CD1 3.6Å; V494-A508 HydrophobicContact CB-CB 4.49Å; V494-L509 HydrophobicContact CG1-CB 4.24Å; V494-L509 HydrophobicContact CG1-CD1 4.05Å; V494-L512 HydrophobicContact CG1-CD1 4.1Å
495	I	89.8	Confident	89.1	Confident	88 Å²	88	46.8 Å²	46.8	45%	0.451	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124	175.8	-58.7	178	0	0	0	107.5	E473	E473-I495 HydrophobicContact CB-CG2 3.76Å; E473-I495 HydrophobicContact CG-CG2 4.06Å; E473-I495 WeakPolarHBondContact OE2-CG2 3.32Å
496	V	89	Confident	89.6	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	156.8	-173	-61.5	0	0	0	0	110.6	E473 R474 L476 V494 L505 A508 L540	E473-V496 CarbonylContact C-O 3.5Å; E473-V496 WeakPolarHBondContact CA-O 3.48Å; R474-V496 HydrophobicContact CG-CG2 3.79Å; R474-V496 PolarHBondContact N-O 2.92Å; R474-V496 PolarHBondContact O-N 2.84Å; L476-V496 HydrophobicContact CD1-CG2 3.88Å; L476-V496 HydrophobicContact CG-CG2 4.04Å; V494-V496 HydrophobicContact CG2-CG1 4.25Å; V496-L505 HydrophobicContact CG1-CB 4.22Å; V496-L505 HydrophobicContact CG1-CD1 4.19Å; V496-A508 HydrophobicContact CG1-CB 3.96Å; V496-L540 HydrophobicContact CB-CD1 3.88Å; V496-L540 HydrophobicContact CG2-CD1 3.89Å
497	P	84.2	Confident	90	Very high	46 Å²	46	41.9 Å²	41.9	30%	0.299	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	142.6	175.1	-23.1	34.1	0	0	0	112.5	K472 I499 D504 L540	K472-P497 CarbonylContact O-C 2.98Å; K472-P497 WeakPolarHBondContact O-CA 3.39Å; P497-I499 PolarHBondContact O-N 3.31Å; P497-D504 HydrophobicContact CG-CB 4.33Å; P497-L540 WeakPolarHBondContact O-CD1 3.47Å
498	K	75.6	Confident	90.2	Very high	66 Å²	66	39.2 Å²	39.2	29%	0.287	21%	0.213	S	C	.	.	S	Bend	trans	-66.4	-28.1	169.9	-101	-157.3	171.4	-168.7	0	112.2	K472 R474 D846	K472-K498 PolarHBondContact O-N 3.11Å; R474-K498 HydrophobicContact CB-CG 3.99Å; R474-K498 HydrophobicContact CG-CG 4.43Å; K498-D846 IonicContact NZ-OD2 2.67Å; K498-D846 PolarHBondContact NZ-OD2 2.94Å
499	I	75.3	Confident	90.4	Very high	150 Å²	150	36.6 Å²	36.6	77%	0.769	20%	0.201	S	C	*	.	S	Bend	trans	-126	88.1	176.2	-52.8	176	0	0	0	106.2	P497	P497-I499 PolarHBondContact O-N 3.31Å
500	G	82.8	Confident	90.5	Very high	11 Å²	11	37.7 Å²	37.7	11%	0.113	21%	0.209	C	C	.	.			trans	-154.5	-173.3	-177.4	0	0	0	0	0	110.2	D504 N539 L540	G500-D504 WeakPolarHBondContact CA-OD2 3.45Å; G500-N539 WeakPolarHBondContact O-CA 3.23Å; G500-N539 PolarHBondContact O-OD1 3.32Å; G500-L540 PolarHBondContact O-N 2.79Å
501	N	91.2	Very high	90.5	Very high	49 Å²	49	39.6 Å²	39.6	26%	0.262	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-119.5	173	-178.3	64.7	19.8	0	0	0	113.1	L503 D504 L505 E538 L540	N501-L503 PolarHBondContact O-N 2.96Å; N501-L503 WeakPolarHBondContact OD1-CB 3.14Å; N501-L503 PolarHBondContact OD1-N 3.41Å; N501-D504 PolarHBondContact N-OD2 2.95Å; N501-D504 WeakPolarHBondContact O-CB 3.2Å; N501-D504 PolarHBondContact O-N 3.49Å; N501-D504 PolarHBondContact OD1-N 2.84Å; N501-D504 PolarHBondContact OD1-OD2 3.45Å; N501-L505 PolarHBondContact O-N 3.21Å; N501-E538 CarbonylContact C-O 3.58Å; N501-E538 WeakPolarHBondContact CA-O 3.43Å; N501-E538 VanDerWaalsContact CB-O 3.3Å; N501-E538 WeakPolarHBondContact CB-O 3.28Å; N501-L540 WeakPolarHBondContact O-CD1 3.49Å; N501-L540 WeakPolarHBondContact O-CD2 3.22Å; N501-L540 VanDerWaalsContact O-CG 3.29Å; N501-L540 WeakPolarHBondContact O-CG 3.31Å
502	I	92.3	Very high	90.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-29.1	179.2	-64.6	-73.6	0	0	0	111.6	D504 L505 C506 V522 F534 A535 M536 E538 L540 I543	I502-D504 PolarHBondContact O-N 3.31Å; I502-L505 WeakPolarHBondContact O-CB 3.47Å; I502-L505 PolarHBondContact O-N 3.47Å; I502-C506 PolarHBondContact O-N 3.32Å; I502-C506 PolarHBondContact O-SG 2.97Å; I502-C506 VanDerWaalsContact O-SG 3.34Å; I502-V522 HydrophobicContact CD1-CG1 4.45Å; I502-V522 HydrophobicContact CG2-CB 3.97Å; I502-V522 HydrophobicContact CG2-CG2 3.7Å; I502-F534 HydrophobicContact CD1-CB 3.93Å; I502-F534 HydrophobicContact CD1-CD1 3.99Å; I502-F534 HydrophobicContact CD1-CG 3.95Å; I502-F534 HydrophobicContact CG1-CB 3.94Å; I502-F534 HydrophobicContact CG1-CD1 4.46Å; I502-F534 HydrophobicContact CG1-CG 4.43Å; I502-F534 HydrophobicContact CG2-CB 4.35Å; I502-A535 WeakPolarHBondContact CB-O 3.37Å; I502-A535 WeakPolarHBondContact CG1-O 3.35Å; I502-M536 HydrophobicContact CG2-SD 4.11Å; I502-M536 PolarHBondContact N-O 2.75Å; I502-E538 HydrophobicContact CG1-CB 4.07Å; I502-E538 WeakPolarHBondContact CG1-O 3.49Å; I502-E538 PolarHBondContact N-O 2.61Å; I502-L540 HydrophobicContact CD1-CD2 4.22Å; I502-I543 HydrophobicContact CD1-CD1 3.7Å
503	L	92.7	Very high	90.2	Very high	85 Å²	85	42.8 Å²	42.8	45%	0.445	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-36.9	171.6	-176.4	64.6	0	0	0	112.9	N501 L505 C506 A507 M536	N501-L503 PolarHBondContact O-N 2.96Å; N501-L503 WeakPolarHBondContact OD1-CB 3.14Å; N501-L503 PolarHBondContact OD1-N 3.41Å; L503-L505 VanDerWaalsContact C-N 3.3Å; L503-L505 PolarHBondContact O-N 2.83Å; L503-C506 PolarHBondContact O-N 3.03Å; L503-A507 WeakPolarHBondContact O-CB 3.45Å; L503-A507 PolarHBondContact O-N 3.48Å; L503-M536 HydrophobicContact CB-CB 4.4Å; L503-M536 PolarHBondContact N-O 3.45Å
504	D	92.4	Very high	90.1	Very high	62 Å²	62	43.7 Å²	43.7	33%	0.332	28%	0.275	S	S	.	.	H	α-helix	trans	-61.9	-38.8	173.7	-63.1	-47.9	0	0	0	111.5	P497 G500 N501 I502 A507 A508 L540	P497-D504 HydrophobicContact CG-CB 4.33Å; G500-D504 WeakPolarHBondContact CA-OD2 3.45Å; N501-D504 PolarHBondContact N-OD2 2.95Å; N501-D504 WeakPolarHBondContact O-CB 3.2Å; N501-D504 PolarHBondContact O-N 3.49Å; N501-D504 PolarHBondContact OD1-N 2.84Å; N501-D504 PolarHBondContact OD1-OD2 3.45Å; I502-D504 PolarHBondContact O-N 3.31Å; D504-A507 PolarHBondContact O-N 3.27Å; D504-A508 WeakPolarHBondContact O-CB 3.34Å; D504-A508 PolarHBondContact O-N 2.9Å; D504-L540 HydrophobicContact CB-CD1 4.3Å
505	L	94.2	Very high	90.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-47.6	174	164.6	61.7	0	0	0	111.5	L476 V478 V494 V496 N501 I502 L503 A507 A508 L509 V522 L540 I543	L476-L505 HydrophobicContact CD1-CD1 4.32Å; L476-L505 HydrophobicContact CD1-CD2 4.26Å; V478-L505 HydrophobicContact CG1-CD1 4.1Å; V494-L505 HydrophobicContact CG2-CD1 3.6Å; V496-L505 HydrophobicContact CG1-CB 4.22Å; V496-L505 HydrophobicContact CG1-CD1 4.19Å; N501-L505 PolarHBondContact O-N 3.21Å; I502-L505 WeakPolarHBondContact O-CB 3.47Å; I502-L505 PolarHBondContact O-N 3.47Å; L503-L505 VanDerWaalsContact C-N 3.3Å; L503-L505 PolarHBondContact O-N 2.83Å; L505-A507 VanDerWaalsContact C-N 3.3Å; L505-A507 PolarHBondContact O-N 2.88Å; L505-A508 PolarHBondContact O-N 3.32Å; L505-L509 WeakPolarHBondContact O-CB 3.26Å; L505-L509 PolarHBondContact O-N 3.22Å; L505-V522 HydrophobicContact CD2-CG1 4.02Å; L505-V522 HydrophobicContact CD2-CG2 4.32Å; L505-L540 HydrophobicContact CB-CD2 3.75Å; L505-L540 HydrophobicContact CD2-CD2 4.31Å; L505-I543 HydrophobicContact CD2-CD1 4.04Å
506	C	94.3	Very high	90.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61	-38.9	176.1	-66.1	0	0	0	0	111.7	I502 L503 S510 A517 M520 V522 M536	I502-C506 PolarHBondContact O-N 3.32Å; I502-C506 PolarHBondContact O-SG 2.97Å; I502-C506 VanDerWaalsContact O-SG 3.34Å; L503-C506 PolarHBondContact O-N 3.03Å; C506-S510 WeakPolarHBondContact O-CB 3.1Å; C506-S510 PolarHBondContact O-N 3.49Å; C506-A517 HydrophobicContact CB-CB 3.85Å; C506-M520 HydrophobicContact CB-CB 4.43Å; C506-M520 HydrophobicContact CB-SD 3.82Å; C506-V522 VanDerWaalsContact SG-CG2 3.54Å; C506-M536 HydrophobicContact CB-SD 4.45Å; C506-M536 VanDerWaalsContact SG-SD 3.67Å
507	A	93.9	Very high	90.2	Very high	51 Å²	51	42.9 Å²	42.9	42%	0.421	28%	0.277	S	S	.	.	H	α-helix	trans	-66.3	-44.1	175.8	0	0	0	0	0	112.5	L503 D504 L505 S510 A511	L503-A507 WeakPolarHBondContact O-CB 3.45Å; L503-A507 PolarHBondContact O-N 3.48Å; D504-A507 PolarHBondContact O-N 3.27Å; L505-A507 VanDerWaalsContact C-N 3.3Å; L505-A507 PolarHBondContact O-N 2.88Å; A507-S510 WeakPolarHBondContact O-CB 3.48Å; A507-S510 PolarHBondContact O-N 3.09Å; A507-A511 PolarHBondContact O-N 2.91Å; A507-A511 VanDerWaalsContact O-N 3.09Å
508	A	93.5	Very high	90.3	Very high	26 Å²	26	44.8 Å²	44.8	22%	0.215	29%	0.285	C	S	.	.	H	α-helix	trans	-63.7	-42.2	176.4	0	0	0	0	0	112.3	V494 V496 D504 L505	V494-A508 HydrophobicContact CB-CB 4.49Å; V496-A508 HydrophobicContact CG1-CB 3.96Å; D504-A508 WeakPolarHBondContact O-CB 3.34Å; D504-A508 PolarHBondContact O-N 2.9Å; L505-A508 PolarHBondContact O-N 3.32Å
509	L	95.3	Very high	90.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-69.8	-35.7	175.6	-175.8	59.9	0	0	0	111.9	V478 L480 Y492 V494 L505 A511 L512 S513 M520 V551	V478-L509 HydrophobicContact CG2-CD1 4.14Å; V478-L509 HydrophobicContact CG2-CD2 4.1Å; L480-L509 HydrophobicContact CD1-CD2 4.28Å; Y492-L509 HydrophobicContact CD1-CD1 3.86Å; Y492-L509 HydrophobicContact CD2-CD1 3.77Å; Y492-L509 HydrophobicContact CE1-CD1 4.43Å; Y492-L509 HydrophobicContact CE2-CD1 4.38Å; Y492-L509 HydrophobicContact CG-CD1 3.5Å; Y492-L509 VanDerWaalsContact CG-CD1 3.5Å; V494-L509 HydrophobicContact CG1-CB 4.24Å; V494-L509 HydrophobicContact CG1-CD1 4.05Å; L505-L509 WeakPolarHBondContact O-CB 3.26Å; L505-L509 PolarHBondContact O-N 3.22Å; L509-A511 VanDerWaalsContact C-N 3.34Å; L509-A511 PolarHBondContact O-N 3.35Å; L509-L512 PolarHBondContact O-N 3.29Å; L509-S513 WeakPolarHBondContact O-CB 3.26Å; L509-S513 PolarHBondContact O-N 3.11Å; L509-S513 PolarHBondContact O-OG 2.77Å; L509-M520 HydrophobicContact CB-CE 4.16Å; L509-M520 HydrophobicContact CB-SD 4.31Å; L509-M520 HydrophobicContact CD2-CE 4.11Å; L509-M520 HydrophobicContact CD2-SD 4.09Å; L509-M520 HydrophobicContact CG-CE 3.93Å; L509-M520 HydrophobicContact CG-SD 4.38Å; L509-V551 HydrophobicContact CD2-CB 3.87Å; L509-V551 HydrophobicContact CD2-CG1 3.93Å; L509-V551 HydrophobicContact CD2-CG2 3.81Å
510	S	95.2	Very high	91.7	Very high	30 Å²	30	37.5 Å²	37.5	21%	0.21	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-43.3	176.7	-176.1	0	0	0	0	111.7	C506 A507 L512 G514 V515	C506-S510 WeakPolarHBondContact O-CB 3.1Å; C506-S510 PolarHBondContact O-N 3.49Å; A507-S510 WeakPolarHBondContact O-CB 3.48Å; A507-S510 PolarHBondContact O-N 3.09Å; S510-L512 VanDerWaalsContact C-N 3.27Å; S510-L512 PolarHBondContact O-N 3Å; S510-G514 WeakPolarHBondContact O-CA 3.44Å; S510-G514 PolarHBondContact O-N 2.91Å; S510-V515 VanDerWaalsContact CA-O 3.26Å; S510-V515 WeakPolarHBondContact CA-O 3.35Å; S510-V515 WeakPolarHBondContact CB-O 3.12Å; S510-V515 PolarHBondContact OG-O 2.84Å
511	A	93.5	Very high	92.1	Very high	88 Å²	88	37 Å²	37	73%	0.727	24%	0.243	S	C	*	.	H	α-helix	trans	-64	-26.5	177.9	0	0	0	0	0	114.3	A507 L509	A507-A511 PolarHBondContact O-N 2.91Å; A507-A511 VanDerWaalsContact O-N 3.09Å; L509-A511 VanDerWaalsContact C-N 3.34Å; L509-A511 PolarHBondContact O-N 3.35Å
512	L	92.8	Very high	92.2	Very high	75 Å²	75	34.8 Å²	34.8	39%	0.393	23%	0.23	S	C	.	.	H	α-helix	trans	-90.9	-41.5	176.1	-62.9	-177.2	0	0	0	113.1	Y492 V494 L509 S510	Y492-L512 HydrophobicContact CD1-CB 3.9Å; Y492-L512 HydrophobicContact CD1-CD1 4.11Å; Y492-L512 HydrophobicContact CE1-CB 3.89Å; V494-L512 HydrophobicContact CG1-CD1 4.1Å; L509-L512 PolarHBondContact O-N 3.29Å; S510-L512 VanDerWaalsContact C-N 3.27Å; S510-L512 PolarHBondContact O-N 3Å
513	S	92.7	Very high	92.2	Very high	19 Å²	19	34.8 Å²	34.8	13%	0.133	23%	0.23	C	C	.	.	H	α-helix	trans	-92.8	-14.7	-170.8	63.7	0	0	0	0	114.8	L509 V515	L509-S513 WeakPolarHBondContact O-CB 3.26Å; L509-S513 PolarHBondContact O-N 3.11Å; L509-S513 PolarHBondContact O-OG 2.77Å; S513-V515 PolarHBondContact O-N 3.07Å; S513-V515 PolarHBondContact OG-N 3.42Å
514	G	90.6	Very high	92.1	Very high	67 Å²	67	31.3 Å²	31.3	69%	0.691	21%	0.212	S	C	*	.			trans	70.7	3.1	-172.1	0	0	0	0	0	114.7	S510	S510-G514 WeakPolarHBondContact O-CA 3.44Å; S510-G514 PolarHBondContact O-N 2.91Å
515	V	91.4	Very high	92	Very high	3 Å²	3	29 Å²	29	2%	0.018	20%	0.2	C	C	.	.			trans	-82	129.5	176.4	-179.1	0	0	0	0	109.5	L480 S510 S513 M520 E553	L480-V515 HydrophobicContact CD2-CG2 4.07Å; S510-V515 VanDerWaalsContact CA-O 3.26Å; S510-V515 WeakPolarHBondContact CA-O 3.35Å; S510-V515 WeakPolarHBondContact CB-O 3.12Å; S510-V515 PolarHBondContact OG-O 2.84Å; S513-V515 PolarHBondContact O-N 3.07Å; S513-V515 PolarHBondContact OG-N 3.42Å; V515-M520 HydrophobicContact CB-CE 3.77Å; V515-M520 HydrophobicContact CG1-CE 3.97Å; V515-M520 HydrophobicContact CG1-CG 4.42Å; V515-M520 WeakPolarHBondContact O-CE 3.12Å; V515-E553 HydrophobicContact CG1-CB 4.44Å; V515-E553 HydrophobicContact CG1-CG 4.01Å
516	P	90.6	Very high	91.6	Very high	54 Å²	54	36.4 Å²	36.4	35%	0.351	23%	0.229	S	C	.	.			trans	-61.3	138.3	177.1	-25.4	35.9	0	0	0	113.4	D518 K519	P516-D518 VanDerWaalsContact C-N 3.31Å; P516-D518 WeakPolarHBondContact CB-OD1 3.35Å; P516-D518 PolarHBondContact O-N 3.45Å; P516-K519 HydrophobicContact CB-CB 4.46Å; P516-K519 HydrophobicContact CB-CD 4.38Å; P516-K519 HydrophobicContact CB-CG 4.27Å; P516-K519 HydrophobicContact CG-CD 4.26Å; P516-K519 WeakPolarHBondContact O-CB 3.4Å; P516-K519 PolarHBondContact O-N 3.06Å
517	A	89.3	Confident	91.1	Very high	19 Å²	19	41.8 Å²	41.8	16%	0.157	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-66.3	-27.7	-175.3	0	0	0	0	0	114.1	C506 K519 M520 M536	C506-A517 HydrophobicContact CB-CB 3.85Å; A517-K519 PolarHBondContact O-N 2.74Å; A517-M520 PolarHBondContact O-N 3.38Å; A517-M536 WeakPolarHBondContact O-CE 3.49Å
518	D	86.6	Confident	90.7	Very high	86 Å²	86	42.6 Å²	42.6	46%	0.46	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-66.2	-21.8	171.7	59	-57.8	0	0	0	113.1	P516	P516-D518 VanDerWaalsContact C-N 3.31Å; P516-D518 WeakPolarHBondContact CB-OD1 3.35Å; P516-D518 PolarHBondContact O-N 3.45Å
519	K	88.4	Confident	90.3	Very high	63 Å²	63	47 Å²	47	27%	0.274	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-94.6	10.5	178.9	-66.2	-169.6	176.2	-169.1	0	114	P516 A517 E553 I554	P516-K519 HydrophobicContact CB-CB 4.46Å; P516-K519 HydrophobicContact CB-CD 4.38Å; P516-K519 HydrophobicContact CB-CG 4.27Å; P516-K519 HydrophobicContact CG-CD 4.26Å; P516-K519 WeakPolarHBondContact O-CB 3.4Å; P516-K519 PolarHBondContact O-N 3.06Å; A517-K519 PolarHBondContact O-N 2.74Å; K519-E553 CarbonylContact O-C 3.57Å; K519-E553 WeakPolarHBondContact O-CA 3.4Å; K519-I554 WeakPolarHBondContact CB-O 3.29Å; K519-I554 WeakPolarHBondContact CG-O 3.35Å; K519-I554 WeakPolarHBondContact O-CG1 3.31Å; K519-I554 PolarHBondContact O-N 2.79Å
520	M	91.9	Very high	89.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	140.7	178.9	-66.3	-176.8	179	0	0	111.7	C506 L509 V515 A517 M536 V551 F552	C506-M520 HydrophobicContact CB-CB 4.43Å; C506-M520 HydrophobicContact CB-SD 3.82Å; L509-M520 HydrophobicContact CB-CE 4.16Å; L509-M520 HydrophobicContact CB-SD 4.31Å; L509-M520 HydrophobicContact CD2-CE 4.11Å; L509-M520 HydrophobicContact CD2-SD 4.09Å; L509-M520 HydrophobicContact CG-CE 3.93Å; L509-M520 HydrophobicContact CG-SD 4.38Å; V515-M520 HydrophobicContact CB-CE 3.77Å; V515-M520 HydrophobicContact CG1-CE 3.97Å; V515-M520 HydrophobicContact CG1-CG 4.42Å; V515-M520 WeakPolarHBondContact O-CE 3.12Å; A517-M520 PolarHBondContact O-N 3.38Å; M520-M536 HydrophobicContact CB-CE 4.49Å; M520-M536 WeakPolarHBondContact O-CE 3.06Å; M520-V551 HydrophobicContact CB-CG1 3.75Å; M520-V551 HydrophobicContact CG-CG1 3.88Å; M520-V551 HydrophobicContact SD-CG1 4.01Å; M520-F552 WeakPolarHBondContact CA-O 3.25Å
521	I	90.6	Very high	89.3	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.5	160.6	-60	-178.6	0	0	0	107.9	T523 I533 V551 F552 I554 V566 L594	I521-T523 HydrophobicContact CG2-CG2 3.98Å; I521-I533 HydrophobicContact CG2-CG2 3.72Å; I521-V551 WeakPolarHBondContact O-CA 3.43Å; I521-F552 PolarHBondContact N-O 3.22Å; I521-F552 PolarHBondContact O-N 2.91Å; I521-I554 HydrophobicContact CD1-CD1 3.99Å; I521-I554 HydrophobicContact CD1-CG2 4.09Å; I521-I554 HydrophobicContact CG1-CD1 4.13Å; I521-I554 HydrophobicContact CG1-CG1 4.47Å; I521-I554 HydrophobicContact CG1-CG2 4.48Å; I521-V566 HydrophobicContact CD1-CG1 4.32Å; I521-L594 HydrophobicContact CB-CD1 3.9Å; I521-L594 HydrophobicContact CD1-CD1 3.9Å; I521-L594 HydrophobicContact CG1-CD1 4.47Å; I521-L594 HydrophobicContact CG2-CD1 3.71Å
522	V	93.4	Very high	89	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	133.4	175.9	-174.4	0	0	0	0	109.3	I502 L505 C506 F534 I549 V551	I502-V522 HydrophobicContact CD1-CG1 4.45Å; I502-V522 HydrophobicContact CG2-CB 3.97Å; I502-V522 HydrophobicContact CG2-CG2 3.7Å; L505-V522 HydrophobicContact CD2-CG1 4.02Å; L505-V522 HydrophobicContact CD2-CG2 4.32Å; C506-V522 VanDerWaalsContact SG-CG2 3.54Å; V522-F534 HydrophobicContact CB-CB 4.5Å; V522-F534 HydrophobicContact CB-CD2 4.39Å; V522-F534 HydrophobicContact CG1-CD2 3.94Å; V522-F534 HydrophobicContact CG1-CE2 4.48Å; V522-F534 PolarHBondContact O-N 2.95Å; V522-I549 HydrophobicContact CG1-CG2 3.65Å; V522-V551 HydrophobicContact CG1-CG2 4.39Å; V522-V551 HydrophobicContact CG2-CG1 4.24Å; V522-V551 HydrophobicContact CG2-CG2 4.08Å
523	T	93.1	Very high	88.7	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	152.6	-177.7	63.5	0	0	0	0	111	I521 F530 R532 I533 I549 Y550 F552 L594	I521-T523 HydrophobicContact CG2-CG2 3.98Å; T523-F530 HydrophobicContact CG2-CD1 4.04Å; T523-F530 HydrophobicContact CG2-CE1 4.05Å; T523-R532 CarbonylContact C-O 3.59Å; T523-R532 VanDerWaalsContact CA-O 3.27Å; T523-R532 WeakPolarHBondContact CA-O 3.44Å; T523-R532 WeakPolarHBondContact CB-O 3.34Å; T523-I533 HydrophobicContact CG2-CB 4.43Å; T523-I533 HydrophobicContact CG2-CG1 4.02Å; T523-I533 HydrophobicContact CG2-CG2 4.28Å; T523-I549 CarbonylContact O-C 3.44Å; T523-I549 WeakPolarHBondContact O-CA 3.34Å; T523-Y550 PolarHBondContact N-O 2.92Å; T523-Y550 PolarHBondContact O-N 2.77Å; T523-Y550 PolarHBondContact OG1-O 3.34Å; T523-F552 HydrophobicContact CG2-CD2 4.22Å; T523-F552 HydrophobicContact CG2-CE2 4.46Å; T523-F552 WeakPolarHBondContact OG1-CE2 3.27Å; T523-L594 HydrophobicContact CG2-CD1 4.32Å
524	D	91.6	Very high	88.5	Confident	12 Å²	12	48 Å²	48	6%	0.064	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.6	167.1	167.2	34.6	0	0	0	107.9	H531 R532 F534 I549	D524-H531 PolarHBondContact O-N 3.25Å; D524-H531 WeakPolarHBondContact OD2-CB 3.49Å; D524-H531 IonicContact OD2-CD2 3.93Å; D524-H531 PolarHBondContact OD2-CD2 3.39Å; D524-H531 VanDerWaalsContact OD2-CD2 3.26Å; D524-H531 IonicContact OD2-CG 2.88Å; D524-R532 HydrophobicContact CB-CB 4.04Å; D524-R532 PolarHBondContact N-O 3.13Å; D524-R532 PolarHBondContact O-N 3.42Å; D524-F534 HydrophobicContact CB-CE2 3.85Å; D524-F534 HydrophobicContact CB-CZ 4.18Å; D524-I549 HydrophobicContact CB-CD1 3.97Å
525	I	89.3	Confident	88.3	Confident	15 Å²	15	46.8 Å²	46.8	8%	0.077	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.9	-177.9	-64.8	-179.1	0	0	0	108.8	R529 F530 D548 Y550 F552 P592	I525-R529 WeakPolarHBondContact CA-O 3.43Å; I525-F530 HydrophobicContact CD1-CD1 4.33Å; I525-F530 HydrophobicContact CD1-CE1 3.99Å; I525-F530 HydrophobicContact CG1-CD1 4Å; I525-F530 HydrophobicContact CG1-CE1 4.17Å; I525-D548 PolarHBondContact N-O 3.08Å; I525-Y550 HydrophobicContact CB-CD2 3.91Å; I525-Y550 HydrophobicContact CB-CE2 4.28Å; I525-Y550 HydrophobicContact CD1-CD2 3.61Å; I525-Y550 HydrophobicContact CD1-CE2 4.35Å; I525-Y550 HydrophobicContact CD1-CG 3.77Å; I525-Y550 HydrophobicContact CG1-CD2 3.95Å; I525-Y550 HydrophobicContact CG1-CG 4.47Å; I525-F552 HydrophobicContact CD1-CE2 4.09Å; I525-F552 HydrophobicContact CD1-CZ 4.12Å; I525-P592 HydrophobicContact CD1-CG 4Å; I525-P592 HydrophobicContact CG1-CG 4.34Å; I525-P592 HydrophobicContact CG2-CG 3.76Å
526	Y	85.3	Confident	88	Confident	155 Å²	155	48.9 Å²	48.9	61%	0.608	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.2	178.9	-178.2	-97.9	0	0	0	110.2	H528 R529	Y526-H528 PolarHBondContact O-N 3.42Å; Y526-R529 PolarHBondContact N-O 2.97Å; Y526-R529 WeakPolarHBondContact O-CG 3.36Å; Y526-R529 PolarHBondContact O-N 3.08Å
527	N	84.4	Confident	87.8	Confident	113 Å²	113	52.8 Å²	52.8	60%	0.604	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	57.7	-178.6	-168	11.6	0	0	0	113.1	R529	N527-R529 PolarHBondContact O-N 3.34Å
528	H	85.9	Confident	87.6	Confident	67 Å²	67	54.3 Å²	54.3	31%	0.31	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	19.3	175.8	-52.2	-65.7	0	0	0	116.2	Y526 L588 G590	Y526-H528 PolarHBondContact O-N 3.42Å; H528-L588 HydrophobicContact CB-CB 3.79Å; H528-G590 PolarHBondContact ND1-N 2.84Å; H528-G590 VanDerWaalsContact ND1-N 3.17Å; H528-G590 PolarHBondContact ND1-O 2.88Å
529	R	84.6	Confident	87.4	Confident	118 Å²	118	53.3 Å²	53.3	45%	0.445	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	160.3	174.6	64.6	173.1	-162.8	-168.2	7.3	111.9	I525 Y526 N527 H531 L588	I525-R529 WeakPolarHBondContact CA-O 3.43Å; Y526-R529 PolarHBondContact N-O 2.97Å; Y526-R529 WeakPolarHBondContact O-CG 3.36Å; Y526-R529 PolarHBondContact O-N 3.08Å; N527-R529 PolarHBondContact O-N 3.34Å; R529-H531 PolarHBondContact O-N 3.01Å; R529-L588 HydrophobicContact CB-CD1 4.02Å
530	F	85.7	Confident	87.3	Confident	9 Å²	9	50.3 Å²	50.3	4%	0.039	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	116.5	163.1	-63.1	-74.6	0	0	0	109.3	T523 I525 F552 P568 P592 L594	T523-F530 HydrophobicContact CG2-CD1 4.04Å; T523-F530 HydrophobicContact CG2-CE1 4.05Å; I525-F530 HydrophobicContact CD1-CD1 4.33Å; I525-F530 HydrophobicContact CD1-CE1 3.99Å; I525-F530 HydrophobicContact CG1-CD1 4Å; I525-F530 HydrophobicContact CG1-CE1 4.17Å; F530-F552 AromaticContact CE1-CE2 3.8Å; F530-F552 HydrophobicContact CE1-CE2 3.8Å; F530-F552 HydrophobicContact CE1-CZ 4.2Å; F530-F552 HydrophobicContact CZ-CE2 4.32Å; F530-F552 HydrophobicContact CZ-CZ 4.33Å; F530-P568 HydrophobicContact CD2-CB 3.73Å; F530-P568 HydrophobicContact CE2-CB 3.58Å; F530-P568 HydrophobicContact CZ-CB 4.49Å; F530-P592 HydrophobicContact CD2-CB 4.24Å; F530-P592 HydrophobicContact CE2-CB 3.83Å; F530-P592 HydrophobicContact CE2-CG 4.4Å; F530-P592 HydrophobicContact CZ-CB 4.21Å; F530-L594 HydrophobicContact CE1-CD2 4.05Å; F530-L594 HydrophobicContact CE1-CG 4.24Å; F530-L594 HydrophobicContact CE2-CD2 4Å; F530-L594 HydrophobicContact CZ-CD2 3.6Å; F530-L594 HydrophobicContact CZ-CG 3.97Å
531	H	84.1	Confident	86.6	Confident	82 Å²	82	51.5 Å²	51.5	38%	0.38	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	-38.6	169	-176	12	0	0	0	110.7	D524 R529	D524-H531 PolarHBondContact O-N 3.25Å; D524-H531 WeakPolarHBondContact OD2-CB 3.49Å; D524-H531 IonicContact OD2-CD2 3.93Å; D524-H531 PolarHBondContact OD2-CD2 3.39Å; D524-H531 VanDerWaalsContact OD2-CD2 3.26Å; D524-H531 IonicContact OD2-CG 2.88Å; R529-H531 PolarHBondContact O-N 3.01Å
532	R	86	Confident	86.2	Confident	104 Å²	104	52.8 Å²	52.8	39%	0.392	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	147.5	177.9	-163.6	168.4	178.2	157.4	0.2	111.7	T523 D524 F534 E538	T523-R532 CarbonylContact C-O 3.59Å; T523-R532 VanDerWaalsContact CA-O 3.27Å; T523-R532 WeakPolarHBondContact CA-O 3.44Å; T523-R532 WeakPolarHBondContact CB-O 3.34Å; D524-R532 HydrophobicContact CB-CB 4.04Å; D524-R532 PolarHBondContact N-O 3.13Å; D524-R532 PolarHBondContact O-N 3.42Å; R532-F534 HydrophobicContact CB-CE2 4.29Å; R532-F534 HydrophobicContact CB-CZ 4.32Å; R532-F534 VanDerWaalsContact CD-CE1 3.47Å; R532-F534 HydrophobicContact CG-CD1 4.29Å; R532-F534 HydrophobicContact CG-CE1 4.16Å; R532-F534 HydrophobicContact CG-CE2 4.37Å; R532-F534 HydrophobicContact CG-CG 4.47Å; R532-F534 HydrophobicContact CG-CZ 4.2Å; R532-E538 IonicContact CZ-OE2 2.69Å; R532-E538 IonicContact NE-OE2 3.08Å; R532-E538 PolarHBondContact NE-OE2 3.43Å; R532-E538 IonicContact NH2-OE2 2.72Å; R532-E538 PolarHBondContact NH2-OE2 3.48Å
533	I	87.1	Confident	85.8	Confident	31 Å²	31	52.8 Å²	52.8	16%	0.159	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	118.4	167.6	-57.6	178.5	0	0	0	105.3	I521 T523 L743	I521-I533 HydrophobicContact CG2-CG2 3.72Å; T523-I533 HydrophobicContact CG2-CB 4.43Å; T523-I533 HydrophobicContact CG2-CG1 4.02Å; T523-I533 HydrophobicContact CG2-CG2 4.28Å; I533-L743 HydrophobicContact CD1-CB 4.13Å
534	F	87.8	Confident	85.2	Confident	8 Å²	8	56.3 Å²	56.3	4%	0.035	27%	0.273	C	S	.	.			trans	-89.5	141.9	-171.4	-60.2	-95.7	0	0	0	111.8	I502 V522 D524 R532 E538 S542 I543 I549	I502-F534 HydrophobicContact CD1-CB 3.93Å; I502-F534 HydrophobicContact CD1-CD1 3.99Å; I502-F534 HydrophobicContact CD1-CG 3.95Å; I502-F534 HydrophobicContact CG1-CB 3.94Å; I502-F534 HydrophobicContact CG1-CD1 4.46Å; I502-F534 HydrophobicContact CG1-CG 4.43Å; I502-F534 HydrophobicContact CG2-CB 4.35Å; V522-F534 HydrophobicContact CB-CB 4.5Å; V522-F534 HydrophobicContact CB-CD2 4.39Å; V522-F534 HydrophobicContact CG1-CD2 3.94Å; V522-F534 HydrophobicContact CG1-CE2 4.48Å; V522-F534 PolarHBondContact O-N 2.95Å; D524-F534 HydrophobicContact CB-CE2 3.85Å; D524-F534 HydrophobicContact CB-CZ 4.18Å; R532-F534 HydrophobicContact CB-CE2 4.29Å; R532-F534 HydrophobicContact CB-CZ 4.32Å; R532-F534 VanDerWaalsContact CD-CE1 3.47Å; R532-F534 HydrophobicContact CG-CD1 4.29Å; R532-F534 HydrophobicContact CG-CE1 4.16Å; R532-F534 HydrophobicContact CG-CE2 4.37Å; R532-F534 HydrophobicContact CG-CG 4.47Å; R532-F534 HydrophobicContact CG-CZ 4.2Å; F534-E538 WeakPolarHBondContact CA-OE1 3.45Å; F534-S542 WeakPolarHBondContact CE1-OG 3.24Å; F534-I543 HydrophobicContact CE1-CG1 3.96Å; F534-I543 HydrophobicContact CE2-CG1 4.38Å; F534-I543 HydrophobicContact CZ-CD1 4.42Å; F534-I543 HydrophobicContact CZ-CG1 3.74Å; F534-I549 HydrophobicContact CE2-CD1 4Å; F534-I549 HydrophobicContact CZ-CD1 4.27Å
535	A	86.8	Confident	84.3	Confident	41 Å²	41	64.1 Å²	64.1	34%	0.339	31%	0.31	S	S	.	.			trans	-81.4	152.8	164.8	0	0	0	0	0	111.1	I502 D537 E538	I502-A535 WeakPolarHBondContact CB-O 3.37Å; I502-A535 WeakPolarHBondContact CG1-O 3.35Å; A535-D537 WeakPolarHBondContact CB-OD1 3.35Å; A535-D537 PolarHBondContact O-N 3.12Å; A535-E538 HydrophobicContact CB-CG 4.22Å; A535-E538 PolarHBondContact N-OE1 3.48Å; A535-E538 WeakPolarHBondContact O-CB 3.37Å; A535-E538 PolarHBondContact O-N 3.33Å; A535-E538 VanDerWaalsContact O-N 3.15Å
536	M	85.6	Confident	83.8	Confident	47 Å²	47	72.6 Å²	72.6	23%	0.232	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.2	-172.6	-68.8	-64.5	-170.8	0	0	113.8	I502 L503 C506 A517 M520	I502-M536 HydrophobicContact CG2-SD 4.11Å; I502-M536 PolarHBondContact N-O 2.75Å; L503-M536 HydrophobicContact CB-CB 4.4Å; L503-M536 PolarHBondContact N-O 3.45Å; C506-M536 HydrophobicContact CB-SD 4.45Å; C506-M536 VanDerWaalsContact SG-SD 3.67Å; A517-M536 WeakPolarHBondContact O-CE 3.49Å; M520-M536 HydrophobicContact CB-CE 4.49Å; M520-M536 WeakPolarHBondContact O-CE 3.06Å
537	D	85.8	Confident	83.8	Confident	136 Å²	136	66.8 Å²	66.8	73%	0.727	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-6.4	178.5	59.6	-46.3	0	0	0	114	A535	A535-D537 WeakPolarHBondContact CB-OD1 3.35Å; A535-D537 PolarHBondContact O-N 3.12Å
538	E	86.1	Confident	84	Confident	51 Å²	51	65 Å²	65	24%	0.238	31%	0.311	C	S	.	.	S	Bend	trans	-66	150.7	173.1	-74.1	-176.1	-109.2	0	0	112	N501 I502 R532 F534 A535	N501-E538 CarbonylContact C-O 3.58Å; N501-E538 WeakPolarHBondContact CA-O 3.43Å; N501-E538 VanDerWaalsContact CB-O 3.3Å; N501-E538 WeakPolarHBondContact CB-O 3.28Å; I502-E538 HydrophobicContact CG1-CB 4.07Å; I502-E538 WeakPolarHBondContact CG1-O 3.49Å; I502-E538 PolarHBondContact N-O 2.61Å; R532-E538 IonicContact CZ-OE2 2.69Å; R532-E538 IonicContact NE-OE2 3.08Å; R532-E538 PolarHBondContact NE-OE2 3.43Å; R532-E538 IonicContact NH2-OE2 2.72Å; R532-E538 PolarHBondContact NH2-OE2 3.48Å; F534-E538 WeakPolarHBondContact CA-OE1 3.45Å; A535-E538 HydrophobicContact CB-CG 4.22Å; A535-E538 PolarHBondContact N-OE1 3.48Å; A535-E538 WeakPolarHBondContact O-CB 3.37Å; A535-E538 PolarHBondContact O-N 3.33Å; A535-E538 VanDerWaalsContact O-N 3.15Å
539	N	82.5	Confident	84.5	Confident	66 Å²	66	62 Å²	62	35%	0.353	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-81.5	139.6	-175.1	-163.8	-62	0	0	0	112.1	G500 S541 S542	G500-N539 WeakPolarHBondContact O-CA 3.23Å; G500-N539 PolarHBondContact O-OD1 3.32Å; N539-S541 PolarHBondContact O-N 2.76Å; N539-S541 VanDerWaalsContact O-N 3.09Å; N539-S541 WeakPolarHBondContact OD1-CB 3.21Å; N539-S541 PolarHBondContact OD1-N 2.8Å; N539-S541 PolarHBondContact OD1-OG 3.01Å; N539-S542 VanDerWaalsContact O-CB 3.31Å; N539-S542 WeakPolarHBondContact O-CB 3.42Å; N539-S542 PolarHBondContact O-N 2.87Å; N539-S542 PolarHBondContact O-OG 2.92Å
540	L	85.6	Confident	84.9	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-61.4	-15.1	175.1	-66.6	172.4	0	0	0	114.1	R474 L476 V496 P497 G500 N501 I502 D504 L505 S542 I543	R474-L540 PolarHBondContact NH1-O 3.08Å; L476-L540 HydrophobicContact CD1-CD2 4.44Å; V496-L540 HydrophobicContact CB-CD1 3.88Å; V496-L540 HydrophobicContact CG2-CD1 3.89Å; P497-L540 WeakPolarHBondContact O-CD1 3.47Å; G500-L540 PolarHBondContact O-N 2.79Å; N501-L540 WeakPolarHBondContact O-CD1 3.49Å; N501-L540 WeakPolarHBondContact O-CD2 3.22Å; N501-L540 VanDerWaalsContact O-CG 3.29Å; N501-L540 WeakPolarHBondContact O-CG 3.31Å; I502-L540 HydrophobicContact CD1-CD2 4.22Å; D504-L540 HydrophobicContact CB-CD1 4.3Å; L505-L540 HydrophobicContact CB-CD2 3.75Å; L505-L540 HydrophobicContact CD2-CD2 4.31Å; L540-S542 PolarHBondContact O-N 3.2Å; L540-I543 PolarHBondContact O-N 3.06Å
541	S	77.4	Confident	85.4	Confident	25 Å²	25	57.8 Å²	57.8	18%	0.175	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-69.2	-7.4	169.7	77.8	0	0	0	0	113.9	N539	N539-S541 PolarHBondContact O-N 2.76Å; N539-S541 VanDerWaalsContact O-N 3.09Å; N539-S541 WeakPolarHBondContact OD1-CB 3.21Å; N539-S541 PolarHBondContact OD1-N 2.8Å; N539-S541 PolarHBondContact OD1-OG 3.01Å
542	S	82.1	Confident	85.8	Confident	28 Å²	28	54 Å²	54	20%	0.196	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-82.2	-14.6	173.9	63.5	0	0	0	0	113.8	F534 N539 L540	F534-S542 WeakPolarHBondContact CE1-OG 3.24Å; N539-S542 VanDerWaalsContact O-CB 3.31Å; N539-S542 WeakPolarHBondContact O-CB 3.42Å; N539-S542 PolarHBondContact O-N 2.87Å; N539-S542 PolarHBondContact O-OG 2.92Å; L540-S542 PolarHBondContact O-N 3.2Å
543	I	84.3	Confident	86	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	25%	0.249	C	C	.	.	S	Bend	trans	-96.2	114.9	175.8	-65.4	171.9	0	0	0	108.9	R474 L476 I502 L505 F534 L540 I549	R474-I543 PolarHBondContact NH1-O 2.93Å; R474-I543 PolarHBondContact NH2-O 3.38Å; R474-I543 VanDerWaalsContact NH2-O 3.1Å; L476-I543 HydrophobicContact CD1-CD1 4.35Å; L476-I543 HydrophobicContact CD1-CG2 4.4Å; L476-I543 HydrophobicContact CD2-CG2 3.89Å; I502-I543 HydrophobicContact CD1-CD1 3.7Å; L505-I543 HydrophobicContact CD2-CD1 4.04Å; F534-I543 HydrophobicContact CE1-CG1 3.96Å; F534-I543 HydrophobicContact CE2-CG1 4.38Å; F534-I543 HydrophobicContact CZ-CD1 4.42Å; F534-I543 HydrophobicContact CZ-CG1 3.74Å; L540-I543 PolarHBondContact O-N 3.06Å; I543-I549 HydrophobicContact CD1-CD1 4.22Å; I543-I549 HydrophobicContact CD1-CG1 4.3Å; I543-I549 HydrophobicContact CG1-CD1 4.03Å; I543-I549 HydrophobicContact CG1-CG1 4.43Å; I543-I549 HydrophobicContact CG2-CD1 3.98Å; I543-I549 HydrophobicContact CG2-CG1 3.71Å
544	M	80.6	Confident	86	Confident	73 Å²	73	48.8 Å²	48.8	36%	0.36	24%	0.243	S	C	.	.			trans	-78.7	173.9	173.1	-46	-173.7	63.3	0	0	111.2	R546 D547 M844	M544-R546 HydrophobicContact CB-CG 4.19Å; M544-R546 PolarHBondContact O-N 2.92Å; M544-R546 PolarHBondContact SD-NH2 3.29Å; M544-R546 VanDerWaalsContact SD-NH2 3.38Å; M544-D547 WeakPolarHBondContact CA-OD2 3.45Å; M544-D547 WeakPolarHBondContact CB-OD1 3.32Å; M544-D547 WeakPolarHBondContact CB-OD2 3.23Å; M544-D547 WeakPolarHBondContact CG-OD2 3.26Å; M544-D547 PolarHBondContact N-OD2 3.25Å; M544-M844 HydrophobicContact CB-CE 4.23Å; M544-M844 HydrophobicContact CE-CE 4.49Å; M544-M844 HydrophobicContact CG-CE 3.9Å
545	E	73.9	Confident	85.2	Confident	177 Å²	177	53.3 Å²	53.3	83%	0.827	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	4.1	179.6	-58.4	-168.3	148.5	0	0	113.9
546	R	78.2	Confident	84.4	Confident	192 Å²	192	52 Å²	52	73%	0.725	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	1.4	-178	68.6	175.9	-179.6	-179.4	-0.5	113.5	M544	M544-R546 HydrophobicContact CB-CG 4.19Å; M544-R546 PolarHBondContact O-N 2.92Å; M544-R546 PolarHBondContact SD-NH2 3.29Å; M544-R546 VanDerWaalsContact SD-NH2 3.38Å
547	D	86	Confident	83.2	Confident	33 Å²	33	52.6 Å²	52.6	18%	0.176	26%	0.258	C	S	.	.			trans	-91.1	128.6	-171.8	-56.2	-9.7	0	0	0	108.2	M544 I549	M544-D547 WeakPolarHBondContact CA-OD2 3.45Å; M544-D547 WeakPolarHBondContact CB-OD1 3.32Å; M544-D547 WeakPolarHBondContact CB-OD2 3.23Å; M544-D547 WeakPolarHBondContact CG-OD2 3.26Å; M544-D547 PolarHBondContact N-OD2 3.25Å; D547-I549 HydrophobicContact CB-CD1 3.98Å; D547-I549 HydrophobicContact CB-CG1 4.44Å; D547-I549 PolarHBondContact O-N 3.42Å
548	D	88.9	Confident	81.9	Confident	77 Å²	77	51.8 Å²	51.8	41%	0.412	25%	0.245	S	C	.	.			trans	-83.2	88.4	-176.6	-89.6	-52.6	0	0	0	109.8	I525 Y550	I525-D548 PolarHBondContact N-O 3.08Å; D548-Y550 HydrophobicContact CB-CE2 4.06Å; D548-Y550 WeakPolarHBondContact O-CD2 3.45Å; D548-Y550 PolarHBondContact O-N 2.84Å
549	I	94.8	Very high	80.5	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	110.6	-173.8	-57.7	-54.4	0	0	0	111.6	V478 Y479 V522 T523 D524 F534 I543 D547 V551	V478-I549 WeakPolarHBondContact CA-O 3.42Å; V478-I549 HydrophobicContact CB-CG2 4.32Å; V478-I549 HydrophobicContact CG1-CB 4.03Å; V478-I549 HydrophobicContact CG1-CG2 3.75Å; Y479-I549 PolarHBondContact N-O 2.88Å; V522-I549 HydrophobicContact CG1-CG2 3.65Å; T523-I549 CarbonylContact O-C 3.44Å; T523-I549 WeakPolarHBondContact O-CA 3.34Å; D524-I549 HydrophobicContact CB-CD1 3.97Å; F534-I549 HydrophobicContact CE2-CD1 4Å; F534-I549 HydrophobicContact CZ-CD1 4.27Å; I543-I549 HydrophobicContact CD1-CD1 4.22Å; I543-I549 HydrophobicContact CD1-CG1 4.3Å; I543-I549 HydrophobicContact CG1-CD1 4.03Å; I543-I549 HydrophobicContact CG1-CG1 4.43Å; I543-I549 HydrophobicContact CG2-CD1 3.98Å; I543-I549 HydrophobicContact CG2-CG1 3.71Å; D547-I549 HydrophobicContact CB-CD1 3.98Å; D547-I549 HydrophobicContact CB-CG1 4.44Å; D547-I549 PolarHBondContact O-N 3.42Å; I549-V551 HydrophobicContact CG2-CG2 4.48Å
550	Y	94.1	Very high	79.2	Confident	39 Å²	39	59.2 Å²	59.2	15%	0.153	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.1	173	-73	-92.9	0	0	0	110.8	Y479 V481 T523 I525 D548	Y479-Y550 HydrophobicContact CD1-CE1 4.37Å; Y479-Y550 HydrophobicContact CD2-CD1 4.21Å; Y479-Y550 HydrophobicContact CD2-CD2 4.32Å; Y479-Y550 AromaticContact CD2-CE1 3.77Å; Y479-Y550 HydrophobicContact CD2-CE1 3.77Å; Y479-Y550 AromaticContact CD2-CE2 3.93Å; Y479-Y550 HydrophobicContact CD2-CE2 3.93Å; Y479-Y550 HydrophobicContact CD2-CG 4.45Å; Y479-Y550 AromaticContact CD2-CZ 3.62Å; Y479-Y550 HydrophobicContact CE2-CE2 4.41Å; Y479-Y550 HydrophobicContact CG-CD1 4.06Å; Y479-Y550 AromaticContact CG-CE1 3.6Å; Y479-Y550 HydrophobicContact CG-CE1 3.6Å; Y479-Y550 AromaticContact CG-CZ 3.91Å; Y479-Y550 WeakPolarHBondContact O-CA 3.4Å; V481-Y550 HydrophobicContact CG2-CD1 3.93Å; T523-Y550 PolarHBondContact N-O 2.92Å; T523-Y550 PolarHBondContact O-N 2.77Å; T523-Y550 PolarHBondContact OG1-O 3.34Å; I525-Y550 HydrophobicContact CB-CD2 3.91Å; I525-Y550 HydrophobicContact CB-CE2 4.28Å; I525-Y550 HydrophobicContact CD1-CD2 3.61Å; I525-Y550 HydrophobicContact CD1-CE2 4.35Å; I525-Y550 HydrophobicContact CD1-CG 3.77Å; I525-Y550 HydrophobicContact CG1-CD2 3.95Å; I525-Y550 HydrophobicContact CG1-CG 4.47Å; D548-Y550 HydrophobicContact CB-CE2 4.06Å; D548-Y550 WeakPolarHBondContact O-CD2 3.45Å; D548-Y550 PolarHBondContact O-N 2.84Å
551	V	94.8	Very high	78	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	115.1	176	-171.8	0	0	0	0	108.7	V478 Y479 L480 V481 L509 M520 I521 V522 I549	V478-V551 HydrophobicContact CB-CG2 4.3Å; Y479-V551 PolarHBondContact O-N 3.49Å; L480-V551 WeakPolarHBondContact CA-O 3.35Å; L480-V551 HydrophobicContact CD1-CB 4.4Å; L480-V551 HydrophobicContact CD1-CG1 4.39Å; V481-V551 PolarHBondContact N-O 2.84Å; L509-V551 HydrophobicContact CD2-CB 3.87Å; L509-V551 HydrophobicContact CD2-CG1 3.93Å; L509-V551 HydrophobicContact CD2-CG2 3.81Å; M520-V551 HydrophobicContact CB-CG1 3.75Å; M520-V551 HydrophobicContact CG-CG1 3.88Å; M520-V551 HydrophobicContact SD-CG1 4.01Å; I521-V551 WeakPolarHBondContact O-CA 3.43Å; V522-V551 HydrophobicContact CG1-CG2 4.39Å; V522-V551 HydrophobicContact CG2-CG1 4.24Å; V522-V551 HydrophobicContact CG2-CG2 4.08Å; I549-V551 HydrophobicContact CG2-CG2 4.48Å
552	F	92.5	Very high	77.4	Confident	1 Å²	1	65.8 Å²	65.8	0%	0.004	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.1	178.9	-68.9	-93.2	0	0	0	110.6	V481 M520 I521 T523 I525 F530 F593 L594	V481-F552 HydrophobicContact CB-CD1 3.72Å; V481-F552 HydrophobicContact CB-CE1 3.86Å; V481-F552 HydrophobicContact CB-CG 4.36Å; V481-F552 HydrophobicContact CG1-CD1 3.85Å; V481-F552 HydrophobicContact CG1-CE1 3.81Å; V481-F552 HydrophobicContact CG2-CD1 4.2Å; V481-F552 HydrophobicContact CG2-CE1 3.9Å; V481-F552 HydrophobicContact CG2-CZ 4.2Å; M520-F552 WeakPolarHBondContact CA-O 3.25Å; I521-F552 PolarHBondContact N-O 3.22Å; I521-F552 PolarHBondContact O-N 2.91Å; T523-F552 HydrophobicContact CG2-CD2 4.22Å; T523-F552 HydrophobicContact CG2-CE2 4.46Å; T523-F552 WeakPolarHBondContact OG1-CE2 3.27Å; I525-F552 HydrophobicContact CD1-CE2 4.09Å; I525-F552 HydrophobicContact CD1-CZ 4.12Å; F530-F552 AromaticContact CE1-CE2 3.8Å; F530-F552 HydrophobicContact CE1-CE2 3.8Å; F530-F552 HydrophobicContact CE1-CZ 4.2Å; F530-F552 HydrophobicContact CZ-CE2 4.32Å; F530-F552 HydrophobicContact CZ-CZ 4.33Å; F552-F593 HydrophobicContact CE1-CB 3.99Å; F552-L594 HydrophobicContact CB-CB 4.29Å; F552-L594 HydrophobicContact CB-CD1 4.01Å; F552-L594 HydrophobicContact CB-CG 4.36Å; F552-L594 HydrophobicContact CD1-CB 4.13Å; F552-L594 HydrophobicContact CD1-CG 4.39Å; F552-L594 HydrophobicContact CD2-CD1 4.06Å; F552-L594 HydrophobicContact CD2-CG 4.04Å; F552-L594 HydrophobicContact CE2-CG 4.48Å; F552-L594 HydrophobicContact CG-CB 4.09Å; F552-L594 HydrophobicContact CG-CD1 4.08Å; F552-L594 HydrophobicContact CG-CG 4Å
553	E	91.8	Very high	77	Confident	23 Å²	23	71.4 Å²	71.4	11%	0.107	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	139.9	165.5	-178.4	-177.8	-149.9	0	0	110.7	V481 R482 M483 V515 K519	V481-E553 PolarHBondContact O-N 3.32Å; R482-E553 WeakPolarHBondContact CA-OE2 3.17Å; R482-E553 IonicContact CZ-OE2 2.59Å; R482-E553 IonicContact NH1-OE1 2.69Å; R482-E553 PolarHBondContact NH1-OE1 3.05Å; R482-E553 IonicContact NH1-OE2 2.84Å; R482-E553 PolarHBondContact NH1-OE2 3.2Å; M483-E553 HydrophobicContact CG-CB 4.16Å; M483-E553 HydrophobicContact CG-CG 3.8Å; M483-E553 PolarHBondContact N-OE2 2.75Å; M483-E553 VanDerWaalsContact SD-O 3.32Å; V515-E553 HydrophobicContact CG1-CB 4.44Å; V515-E553 HydrophobicContact CG1-CG 4.01Å; K519-E553 CarbonylContact O-C 3.57Å; K519-E553 WeakPolarHBondContact O-CA 3.4Å
554	I	86.6	Confident	76.7	Confident	4 Å²	4	74.3 Å²	74.3	2%	0.021	36%	0.36	C	S	.	.			trans	-130.1	143.3	171	56.5	162.1	0	0	0	111.8	K519 I521 I556 R558 V566	K519-I554 WeakPolarHBondContact CB-O 3.29Å; K519-I554 WeakPolarHBondContact CG-O 3.35Å; K519-I554 WeakPolarHBondContact O-CG1 3.31Å; K519-I554 PolarHBondContact O-N 2.79Å; I521-I554 HydrophobicContact CD1-CD1 3.99Å; I521-I554 HydrophobicContact CD1-CG2 4.09Å; I521-I554 HydrophobicContact CG1-CD1 4.13Å; I521-I554 HydrophobicContact CG1-CG1 4.47Å; I521-I554 HydrophobicContact CG1-CG2 4.48Å; I554-I556 VanDerWaalsContact C-N 3.31Å; I554-I556 WeakPolarHBondContact CD1-O 3.48Å; I554-I556 PolarHBondContact O-N 3.09Å; I554-R558 HydrophobicContact CD1-CG 3.87Å; I554-V566 HydrophobicContact CG2-CG2 4.37Å
555	N	71.9	Confident	76.6	Confident	103 Å²	103	72 Å²	72	55%	0.551	35%	0.351	S	S	*	.	S	Bend	trans	-86.1	3.7	177.1	-84	-25.3	0	0	0	114.6
556	I	69.1	Low	77	Confident	14 Å²	14	64.4 Å²	64.4	7%	0.072	32%	0.316	C	S	.	.	S	Bend	trans	-106.9	125.9	-169.9	-63.1	172.5	0	0	0	109.3	I554 R558 D561 H564 V566 A596	I554-I556 VanDerWaalsContact C-N 3.31Å; I554-I556 WeakPolarHBondContact CD1-O 3.48Å; I554-I556 PolarHBondContact O-N 3.09Å; I556-R558 PolarHBondContact O-N 2.79Å; I556-D561 HydrophobicContact CG2-CB 3.76Å; I556-H564 HydrophobicContact CD1-CB 3.45Å; I556-H564 VanDerWaalsContact CD1-CB 3.45Å; I556-H564 HydrophobicContact CG1-CB 4.11Å; I556-V566 HydrophobicContact CD1-CG2 3.9Å; I556-A596 HydrophobicContact CD1-CB 3.51Å; I556-A596 HydrophobicContact CG1-CB 4.23Å
557	N	61.2	Low	77.2	Confident	58 Å²	58	55.3 Å²	55.3	31%	0.31	28%	0.282	S	S	.	.			trans	-78.2	113.4	167.5	-171.4	5.8	0	0	0	109.6	T559 E560 D561	N557-T559 PolarHBondContact O-N 3.33Å; N557-T559 PolarHBondContact OD1-OG1 3.1Å; N557-E560 HydrophobicContact CB-CB 4.37Å; N557-E560 PolarHBondContact ND2-OE2 3.15Å; N557-E560 PolarHBondContact O-N 2.97Å; N557-E560 VanDerWaalsContact O-N 3.07Å; N557-D561 PolarHBondContact O-N 3.29Å; N557-D561 VanDerWaalsContact O-N 3.17Å
558	R	57.8	Low	77.3	Confident	120 Å²	120	53.9 Å²	53.9	45%	0.453	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-14	-167.3	-58.2	177.6	85.4	176.2	5.4	114.5	I554 I556	I554-R558 HydrophobicContact CD1-CG 3.87Å; I556-R558 PolarHBondContact O-N 2.79Å
559	T	56.3	Low	77.3	Confident	125 Å²	125	50.2 Å²	50.2	77%	0.767	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-7.5	179.5	51.3	0	0	0	0	114.8	N557	N557-T559 PolarHBondContact O-N 3.33Å; N557-T559 PolarHBondContact OD1-OG1 3.1Å
560	E	55.5	Low	77	Confident	147 Å²	147	50.2 Å²	50.2	69%	0.687	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.6	-33.7	-168.2	-64.3	-178.4	150.9	0	0	114.6	N557 T562	N557-E560 HydrophobicContact CB-CB 4.37Å; N557-E560 PolarHBondContact ND2-OE2 3.15Å; N557-E560 PolarHBondContact O-N 2.97Å; N557-E560 VanDerWaalsContact O-N 3.07Å; E560-T562 PolarHBondContact O-N 3.13Å
561	D	61.4	Low	76.8	Confident	52 Å²	52	48.4 Å²	48.4	28%	0.278	25%	0.248	S	C	.	.			trans	-82.9	116.7	178.8	-179.7	-10.4	0	0	0	110.8	I556 N557 E563 H564	I556-D561 HydrophobicContact CG2-CB 3.76Å; N557-D561 PolarHBondContact O-N 3.29Å; N557-D561 VanDerWaalsContact O-N 3.17Å; D561-E563 PolarHBondContact OD1-N 2.63Å; D561-H564 PolarHBondContact OD1-N 3.24Å; D561-H564 VanDerWaalsContact OD1-N 3.15Å; D561-H564 IonicContact OD1-ND1 3.66Å; D561-H564 PolarHBondContact OD1-ND1 2.7Å; D561-H564 IonicContact OD2-CE1 2.74Å; D561-H564 IonicContact OD2-CG 2.72Å; D561-H564 IonicContact OD2-ND1 3.36Å; D561-H564 PolarHBondContact OD2-ND1 3.11Å
562	T	64.6	Low	76.5	Confident	112 Å²	112	49.9 Å²	49.9	69%	0.687	25%	0.253	S	S	*	.			trans	-106	1.3	176	58.4	0	0	0	0	113.8	E560 R599	E560-T562 PolarHBondContact O-N 3.13Å; T562-R599 WeakPolarHBondContact O-CD 3.46Å; T562-R599 PolarHBondContact O-NE 3.3Å
563	E	72.8	Confident	76.3	Confident	145 Å²	145	51.3 Å²	51.3	68%	0.678	26%	0.26	S	S	*	.	S	Bend	trans	-91.1	-26.8	-178.6	-61.3	-162.5	155.3	0	0	112.8	D561 R599	D561-E563 PolarHBondContact OD1-N 2.63Å; E563-R599 WeakPolarHBondContact O-CB 3.26Å; E563-R599 WeakPolarHBondContact O-CG 3.34Å; E563-R599 PolarHBondContact O-N 3.31Å
564	H	78.3	Confident	75.8	Confident	62 Å²	62	53.7 Å²	53.7	29%	0.287	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	165.1	-178.4	-57.5	91.5	0	0	0	113.3	I556 D561 V597 R599	I556-H564 HydrophobicContact CD1-CB 3.45Å; I556-H564 VanDerWaalsContact CD1-CB 3.45Å; I556-H564 HydrophobicContact CG1-CB 4.11Å; D561-H564 PolarHBondContact OD1-N 3.24Å; D561-H564 VanDerWaalsContact OD1-N 3.15Å; D561-H564 IonicContact OD1-ND1 3.66Å; D561-H564 PolarHBondContact OD1-ND1 2.7Å; D561-H564 IonicContact OD2-CE1 2.74Å; D561-H564 IonicContact OD2-CG 2.72Å; D561-H564 IonicContact OD2-ND1 3.36Å; D561-H564 PolarHBondContact OD2-ND1 3.11Å; H564-V597 CarbonylContact C-O 3.6Å; H564-V597 WeakPolarHBondContact CA-O 3.43Å; H564-R599 PolarHBondContact O-NE 2.74Å
565	V	78.1	Confident	75.2	Confident	25 Å²	25	58.6 Å²	58.6	15%	0.152	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.7	170.1	62.7	0	0	0	0	109.1	I567 V597 R599 F736	V565-I567 HydrophobicContact CG1-CG2 4.14Å; V565-V597 HydrophobicContact CG1-CG2 3.6Å; V565-V597 PolarHBondContact N-O 3.03Å; V565-V597 PolarHBondContact O-N 3.48Å; V565-R599 HydrophobicContact CB-CG 4.2Å; V565-R599 HydrophobicContact CG1-CG 4.27Å; V565-F736 HydrophobicContact CG1-CB 3.87Å; V565-F736 HydrophobicContact CG1-CD1 4.05Å; V565-F736 HydrophobicContact CG1-CD2 3.87Å; V565-F736 HydrophobicContact CG1-CE2 4.35Å; V565-F736 HydrophobicContact CG1-CG 3.68Å
566	V	82.2	Confident	74.7	Confident	17 Å²	17	63.5 Å²	63.5	10%	0.103	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	128	172.1	-178.6	0	0	0	0	108.4	I521 I554 I556 L594 M595 L743	I521-V566 HydrophobicContact CD1-CG1 4.32Å; I554-V566 HydrophobicContact CG2-CG2 4.37Å; I556-V566 HydrophobicContact CD1-CG2 3.9Å; V566-L594 HydrophobicContact CG1-CB 4.18Å; V566-M595 CarbonylContact C-O 3.52Å; V566-M595 WeakPolarHBondContact CA-O 3.42Å; V566-L743 HydrophobicContact CB-CD1 4.5Å; V566-L743 HydrophobicContact CB-CD2 4.39Å; V566-L743 HydrophobicContact CG1-CD2 4.15Å
567	I	83.4	Confident	73.7	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138	178.7	70	176.3	0	0	0	110.3	V565 V569 M595 V597 L606 F736 L741 L749	V565-I567 HydrophobicContact CG1-CG2 4.14Å; I567-V569 HydrophobicContact CD1-CG2 4.22Å; I567-V569 HydrophobicContact CG1-CG2 4.02Å; I567-M595 HydrophobicContact CG1-CB 4.17Å; I567-M595 PolarHBondContact N-O 2.91Å; I567-M595 PolarHBondContact O-N 3.37Å; I567-V597 HydrophobicContact CD1-CG1 3.92Å; I567-V597 HydrophobicContact CD1-CG2 4.2Å; I567-V597 HydrophobicContact CG1-CG1 4.33Å; I567-V597 HydrophobicContact CG2-CG2 3.95Å; I567-L606 HydrophobicContact CD1-CD1 4.48Å; I567-F736 HydrophobicContact CG2-CE1 4.22Å; I567-F736 HydrophobicContact CG2-CZ 4.49Å; I567-L741 HydrophobicContact CB-CD2 4.18Å; I567-L741 HydrophobicContact CG2-CD2 3.52Å; I567-L749 HydrophobicContact CD1-CD2 3.85Å
568	P	87.5	Confident	72.8	Confident	3 Å²	3	72.7 Å²	72.7	2%	0.019	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137.9	167.4	32	-27.4	0	0	0	110.1	F530 L594 S747 F748 L749	F530-P568 HydrophobicContact CD2-CB 3.73Å; F530-P568 HydrophobicContact CE2-CB 3.58Å; F530-P568 HydrophobicContact CZ-CB 4.49Å; P568-L594 HydrophobicContact CB-CD2 3.75Å; P568-S747 WeakPolarHBondContact CG-O 3.48Å; P568-F748 HydrophobicContact CB-CB 4.39Å; P568-F748 HydrophobicContact CG-CB 4Å; P568-L749 PolarHBondContact O-N 3.35Å
569	V	88.8	Confident	72	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.7	-175.6	-171.6	0	0	0	0	109.6	I567 P592 F593 M595 L610 L749 L751	I567-V569 HydrophobicContact CD1-CG2 4.22Å; I567-V569 HydrophobicContact CG1-CG2 4.02Å; V569-P592 CarbonylContact O-C 3.52Å; V569-P592 VanDerWaalsContact O-CA 3.23Å; V569-P592 WeakPolarHBondContact O-CA 3.41Å; V569-P592 VanDerWaalsContact O-CB 3.29Å; V569-P592 WeakPolarHBondContact O-CB 3.43Å; V569-F593 HydrophobicContact CB-CD2 3.95Å; V569-F593 HydrophobicContact CB-CE1 4.29Å; V569-F593 HydrophobicContact CB-CE2 3.64Å; V569-F593 HydrophobicContact CB-CG 4.4Å; V569-F593 HydrophobicContact CB-CZ 3.84Å; V569-F593 HydrophobicContact CG1-CE1 4.09Å; V569-F593 HydrophobicContact CG1-CE2 3.92Å; V569-F593 HydrophobicContact CG1-CZ 3.62Å; V569-F593 HydrophobicContact CG2-CD2 4.12Å; V569-F593 HydrophobicContact CG2-CE2 3.7Å; V569-F593 HydrophobicContact CG2-CZ 4.28Å; V569-F593 PolarHBondContact N-O 2.84Å; V569-F593 PolarHBondContact O-N 2.8Å; V569-M595 HydrophobicContact CG2-CB 4.48Å; V569-L610 HydrophobicContact CG1-CD2 4.11Å; V569-L610 HydrophobicContact CG2-CD2 4.14Å; V569-L749 WeakPolarHBondContact CA-O 3.34Å; V569-L749 HydrophobicContact CG2-CB 4.38Å; V569-L749 HydrophobicContact CG2-CD2 4.42Å; V569-L751 HydrophobicContact CG1-CD1 3.71Å; V569-L751 HydrophobicContact CG1-CD2 3.91Å; V569-L751 HydrophobicContact CG1-CG 3.57Å
570	C	89	Confident	71.5	Confident	2 Å²	2	75.9 Å²	75.9	1%	0.014	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.3	177.8	-57.4	0	0	0	0	110.3	P592 F748 L749 A750 L751	C570-P592 HydrophobicContact CB-CB 4.44Å; C570-F748 HydrophobicContact CB-CD2 3.67Å; C570-F748 HydrophobicContact CB-CE2 3.77Å; C570-L749 PolarHBondContact N-O 3.34Å; C570-A750 CarbonylContact O-C 3.08Å; C570-A750 WeakPolarHBondContact O-CA 3.09Å; C570-L751 PolarHBondContact O-N 3Å
571	L	89.7	Confident	70.5	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.005	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	136.1	179.5	-68.5	157.3	0	0	0	110	L588 F589 M614 L751 W753 F762	L571-L588 WeakPolarHBondContact O-CA 3.49Å; L571-L588 WeakPolarHBondContact O-CD2 3.32Å; L571-F589 HydrophobicContact CB-CD1 4.09Å; L571-F589 HydrophobicContact CB-CD2 4.34Å; L571-F589 HydrophobicContact CB-CE1 3.86Å; L571-F589 HydrophobicContact CB-CE2 4.12Å; L571-F589 HydrophobicContact CB-CG 4.34Å; L571-F589 HydrophobicContact CB-CZ 3.88Å; L571-F589 WeakPolarHBondContact CB-O 3.18Å; L571-F589 HydrophobicContact CD1-CE2 4.35Å; L571-F589 HydrophobicContact CD2-CZ 4.24Å; L571-F589 PolarHBondContact O-N 2.83Å; L571-M614 HydrophobicContact CD2-SD 3.85Å; L571-L751 HydrophobicContact CD2-CB 4.18Å; L571-L751 HydrophobicContact CD2-CD1 4.04Å; L571-W753 VanDerWaalsContact CD2-NE1 3.27Å; L571-F762 HydrophobicContact CD1-CE2 3.9Å; L571-F762 HydrophobicContact CD1-CZ 3.88Å; L571-F762 HydrophobicContact CD2-CE2 4.17Å
572	R	89.2	Confident	69.5	Low	32 Å²	32	81.5 Å²	81.5	12%	0.121	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	139.1	-175.2	-172.4	170.1	67.4	171.9	-11	111.9	K574 S587 L588 L751 D752 W753	R572-K574 VanDerWaalsContact NH2-CE 3.3Å; R572-S587 CarbonylContact C-O 3.54Å; R572-S587 VanDerWaalsContact CA-O 3.25Å; R572-S587 WeakPolarHBondContact CA-O 3.48Å; R572-S587 WeakPolarHBondContact CG-O 3.39Å; R572-L588 HydrophobicContact CB-CD2 3.96Å; R572-L588 HydrophobicContact CG-CD2 4.16Å; R572-L751 PolarHBondContact N-O 3.25Å; R572-L751 VanDerWaalsContact O-O 3.06Å; R572-D752 IonicContact CZ-OD1 2.93Å; R572-D752 IonicContact NE-OD1 2.91Å; R572-D752 PolarHBondContact NE-OD1 3.05Å; R572-D752 IonicContact NH2-OD1 2.7Å; R572-D752 PolarHBondContact NH2-OD1 2.98Å; R572-D752 IonicContact NH2-OD2 3.16Å; R572-D752 PolarHBondContact NH2-OD2 2.63Å; R572-D752 CarbonylContact O-C 3.53Å; R572-D752 WeakPolarHBondContact O-CA 3.24Å; R572-W753 PolarHBondContact O-N 3.46Å
573	E	87.1	Confident	68.2	Low	32 Å²	32	84.4 Å²	84.4	15%	0.15	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	142.6	169.7	-65.2	171.1	158	0	0	110.7	F575 S586 S587 F589 W753 K758	E573-F575 HydrophobicContact CB-CE2 4.31Å; E573-S586 WeakPolarHBondContact O-CA 3.31Å; E573-S586 VanDerWaalsContact O-CB 3.3Å; E573-S586 WeakPolarHBondContact O-CB 3.49Å; E573-S587 PolarHBondContact N-O 2.65Å; E573-S587 PolarHBondContact OE2-OG 3.48Å; E573-F589 HydrophobicContact CG-CD1 3.74Å; E573-F589 HydrophobicContact CG-CE1 3.83Å; E573-W753 WeakPolarHBondContact CA-O 3.44Å; E573-K758 HydrophobicContact CG-CD 4.05Å; E573-K758 WeakPolarHBondContact OE1-CD 3.36Å; E573-K758 WeakPolarHBondContact OE1-CE 3.36Å; E573-K758 IonicContact OE1-NZ 3.58Å; E573-K758 PolarHBondContact OE1-NZ 3.04Å
574	K	80.9	Confident	66.9	Low	72 Å²	72	84.2 Å²	84.2	31%	0.313	42%	0.415	S	S	.	.			trans	-126.1	110.9	169.1	-80.9	-171.8	175.4	165.2	0	111.1	R572 D752 W753 P755	R572-K574 VanDerWaalsContact NH2-CE 3.3Å; K574-D752 HydrophobicContact CD-CB 3.98Å; K574-D752 WeakPolarHBondContact CE-OD1 3.44Å; K574-D752 WeakPolarHBondContact CE-OD2 2.99Å; K574-D752 HydrophobicContact CG-CB 4.36Å; K574-D752 VanDerWaalsContact NZ-CG 3.3Å; K574-D752 IonicContact NZ-OD1 2.63Å; K574-D752 PolarHBondContact NZ-OD1 2.71Å; K574-D752 IonicContact NZ-OD2 2.78Å; K574-D752 PolarHBondContact NZ-OD2 2.83Å; K574-W753 PolarHBondContact N-O 2.73Å; K574-P755 WeakPolarHBondContact O-CD 3.32Å
575	F	75.1	Confident	65.6	Low	107 Å²	107	83.9 Å²	83.9	47%	0.469	43%	0.428	S	S	.	.			trans	-73.3	130.5	173	-61.5	-86.7	0	0	0	110.6	E573 H577 P755	E573-F575 HydrophobicContact CB-CE2 4.31Å; F575-H577 PolarHBondContact O-N 3.43Å; F575-P755 HydrophobicContact CD1-CG 3.77Å; F575-P755 HydrophobicContact CE1-CB 4.29Å; F575-P755 HydrophobicContact CE1-CG 3.67Å; F575-P755 HydrophobicContact CG-CG 4.39Å; F575-P755 HydrophobicContact CZ-CG 4.21Å
576	R	60.3	Low	65.2	Low	206 Å²	206	85.2 Å²	85.2	78%	0.777	44%	0.438	S	S	*	.			trans	-85.8	101.7	172.6	-59.7	-177.2	-165.3	-124.6	-1.3	109.4	D754	R576-D754 IonicContact CZ-OD2 2.66Å; R576-D754 IonicContact NE-OD2 3.94Å; R576-D754 PolarHBondContact NE-OD2 3.5Å; R576-D754 IonicContact NH2-OD2 2.9Å; R576-D754 PolarHBondContact NH2-OD2 2.74Å
577	H	48.3	Very low	65.2	Low	165 Å²	165	86.6 Å²	86.6	76%	0.764	45%	0.449	S	S	*	.			trans	-89.3	132	170	-90	-82.6	0	0	0	112.4	F575	F575-H577 PolarHBondContact O-N 3.43Å
578	S	41.7	Very low	65.4	Low	101 Å²	101	89 Å²	89	71%	0.706	46%	0.461	S	S	*	.			trans	-68.4	136.3	157.2	-179.8	0	0	0	0	109
579	S	42.5	Very low	65.4	Low	91 Å²	91	89.3 Å²	89.3	64%	0.636	46%	0.462	S	S	*	.	S	Bend	trans	37.6	114.5	151.3	-46.3	0	0	0	0	119.2
580	Y	44.3	Very low	65.2	Low	221 Å²	221	89.7 Å²	89.7	87%	0.867	47%	0.466	S	S	*	.	S	Bend	trans	76.4	60.6	161.2	-52.1	-75.2	0	0	0	119.2
581	T	34.2	Very low	65.1	Low	124 Å²	124	91 Å²	91	76%	0.761	47%	0.472	S	S	*	.			trans	-162.1	138.5	139.7	0.9	0	0	0	0	111.5	H583	T581-H583 PolarHBondContact O-N 3.23Å
582	H	41.3	Very low	65.1	Low	192 Å²	192	91 Å²	91	89%	0.889	47%	0.472	S	S	*	.			trans	-93.8	52.8	-173.7	-85.9	-78	0	0	0	114.1
583	H	37.9	Very low	65.1	Low	174 Å²	174	89.9 Å²	89.9	81%	0.806	47%	0.468	S	S	*	.			trans	-130.8	102.4	170.9	-63.9	-48.3	0	0	0	111.1	T581 G585	T581-H583 PolarHBondContact O-N 3.23Å; H583-G585 VanDerWaalsContact C-N 3.32Å; H583-G585 PolarHBondContact O-N 2.94Å
584	T	45	Very low	65.2	Low	141 Å²	141	88.6 Å²	88.6	87%	0.865	46%	0.462	S	S	*	.			trans	-79.7	75.6	176.5	42.2	0	0	0	0	111.4	S586	T584-S586 PolarHBondContact O-N 2.95Å
585	G	52	Low	65.4	Low	55 Å²	55	85.9 Å²	85.9	57%	0.567	45%	0.451	S	S	*	.			trans	-58.8	122	169.9	0	0	0	0	0	111.2	H583	H583-G585 VanDerWaalsContact C-N 3.32Å; H583-G585 PolarHBondContact O-N 2.94Å
586	S	69.4	Low	65.9	Low	53 Å²	53	82.1 Å²	82.1	37%	0.371	44%	0.44	S	S	.	.			trans	-142.1	112.7	176.9	63.2	0	0	0	0	110.8	E573 T584	E573-S586 WeakPolarHBondContact O-CA 3.31Å; E573-S586 VanDerWaalsContact O-CB 3.3Å; E573-S586 WeakPolarHBondContact O-CB 3.49Å; T584-S586 PolarHBondContact O-N 2.95Å
587	S	82.5	Confident	67	Low	46 Å²	46	72.3 Å²	72.3	32%	0.322	40%	0.403	S	S	.	.			trans	-82.1	136.6	-179.8	21	0	0	0	0	110.9	R572 E573	R572-S587 CarbonylContact C-O 3.54Å; R572-S587 VanDerWaalsContact CA-O 3.25Å; R572-S587 WeakPolarHBondContact CA-O 3.48Å; R572-S587 WeakPolarHBondContact CG-O 3.39Å; E573-S587 PolarHBondContact N-O 2.65Å; E573-S587 PolarHBondContact OE2-OG 3.48Å
588	L	86.6	Confident	68.7	Low	51 Å²	51	66.7 Å²	66.7	27%	0.267	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	151	161.4	-62.2	-179.2	0	0	0	109.5	H528 R529 L571 R572	H528-L588 HydrophobicContact CB-CB 3.79Å; R529-L588 HydrophobicContact CB-CD1 4.02Å; L571-L588 WeakPolarHBondContact O-CA 3.49Å; L571-L588 WeakPolarHBondContact O-CD2 3.32Å; R572-L588 HydrophobicContact CB-CD2 3.96Å; R572-L588 HydrophobicContact CG-CD2 4.16Å
589	F	87.9	Confident	70.4	Confident	10 Å²	10	64.2 Å²	64.2	4%	0.044	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	165.1	179.1	72.4	-86.4	0	0	0	112.4	L571 E573 W753 K758 F762	L571-F589 HydrophobicContact CB-CD1 4.09Å; L571-F589 HydrophobicContact CB-CD2 4.34Å; L571-F589 HydrophobicContact CB-CE1 3.86Å; L571-F589 HydrophobicContact CB-CE2 4.12Å; L571-F589 HydrophobicContact CB-CG 4.34Å; L571-F589 HydrophobicContact CB-CZ 3.88Å; L571-F589 WeakPolarHBondContact CB-O 3.18Å; L571-F589 HydrophobicContact CD1-CE2 4.35Å; L571-F589 HydrophobicContact CD2-CZ 4.24Å; L571-F589 PolarHBondContact O-N 2.83Å; E573-F589 HydrophobicContact CG-CD1 3.74Å; E573-F589 HydrophobicContact CG-CE1 3.83Å; F589-W753 HydrophobicContact CE1-CB 4.21Å; F589-W753 HydrophobicContact CE1-CG 4.25Å; F589-W753 HydrophobicContact CZ-CB 4.18Å; F589-W753 AromaticContact CZ-CD1 3.68Å; F589-W753 HydrophobicContact CZ-CD2 4.45Å; F589-W753 AromaticContact CZ-CG 3.85Å; F589-W753 HydrophobicContact CZ-CG 3.85Å; F589-K758 HydrophobicContact CD1-CD 4.44Å; F589-K758 HydrophobicContact CD2-CD 4.11Å; F589-K758 VanDerWaalsContact CD2-CE 3.44Å; F589-K758 HydrophobicContact CE1-CD 4.07Å; F589-K758 HydrophobicContact CE2-CD 3.73Å; F589-K758 VanDerWaalsContact CE2-CE 3.45Å; F589-K758 HydrophobicContact CE2-CG 4.11Å; F589-K758 HydrophobicContact CG-CD 4.45Å; F589-K758 HydrophobicContact CZ-CD 3.7Å; F589-K758 HydrophobicContact CZ-CG 4.07Å; F589-F762 HydrophobicContact CD2-CE1 4.29Å; F589-F762 HydrophobicContact CD2-CZ 4.28Å; F589-F762 HydrophobicContact CE2-CD1 4.12Å; F589-F762 HydrophobicContact CE2-CD2 4Å; F589-F762 AromaticContact CE2-CE1 3.88Å; F589-F762 HydrophobicContact CE2-CE1 3.88Å; F589-F762 AromaticContact CE2-CE2 3.75Å; F589-F762 HydrophobicContact CE2-CE2 3.75Å; F589-F762 HydrophobicContact CE2-CG 4.19Å; F589-F762 AromaticContact CE2-CZ 3.7Å; F589-F762 HydrophobicContact CE2-CZ 3.7Å; F589-F762 HydrophobicContact CZ-CD2 4.48Å; F589-F762 HydrophobicContact CZ-CE2 4.41Å
590	G	85.1	Confident	72.2	Confident	8 Å²	8	65 Å²	65	8%	0.082	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	60.8	-165.2	174.4	0	0	0	0	0	115	H528	H528-G590 PolarHBondContact ND1-N 2.84Å; H528-G590 VanDerWaalsContact ND1-N 3.17Å; H528-G590 PolarHBondContact ND1-O 2.88Å
591	Q	86	Confident	73.8	Confident	28 Å²	28	54.9 Å²	54.9	13%	0.131	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	123.2	-178.1	-163	-170.2	3.6	0	0	111.5
592	P	89.7	Confident	76.1	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	151.4	169.7	33.7	-35.1	0	0	0	110.4	I525 F530 V569 C570	I525-P592 HydrophobicContact CD1-CG 4Å; I525-P592 HydrophobicContact CG1-CG 4.34Å; I525-P592 HydrophobicContact CG2-CG 3.76Å; F530-P592 HydrophobicContact CD2-CB 4.24Å; F530-P592 HydrophobicContact CE2-CB 3.83Å; F530-P592 HydrophobicContact CE2-CG 4.4Å; F530-P592 HydrophobicContact CZ-CB 4.21Å; V569-P592 CarbonylContact O-C 3.52Å; V569-P592 VanDerWaalsContact O-CA 3.23Å; V569-P592 WeakPolarHBondContact O-CA 3.41Å; V569-P592 VanDerWaalsContact O-CB 3.29Å; V569-P592 WeakPolarHBondContact O-CB 3.43Å; C570-P592 HydrophobicContact CB-CB 4.44Å
593	F	89.8	Confident	78	Confident	9 Å²	9	43 Å²	43	4%	0.039	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	151.7	-173	60.3	-97.1	0	0	0	113.7	F552 V569 M595 L610 R613 M614 L751	F552-F593 HydrophobicContact CE1-CB 3.99Å; V569-F593 HydrophobicContact CB-CD2 3.95Å; V569-F593 HydrophobicContact CB-CE1 4.29Å; V569-F593 HydrophobicContact CB-CE2 3.64Å; V569-F593 HydrophobicContact CB-CG 4.4Å; V569-F593 HydrophobicContact CB-CZ 3.84Å; V569-F593 HydrophobicContact CG1-CE1 4.09Å; V569-F593 HydrophobicContact CG1-CE2 3.92Å; V569-F593 HydrophobicContact CG1-CZ 3.62Å; V569-F593 HydrophobicContact CG2-CD2 4.12Å; V569-F593 HydrophobicContact CG2-CE2 3.7Å; V569-F593 HydrophobicContact CG2-CZ 4.28Å; V569-F593 PolarHBondContact N-O 2.84Å; V569-F593 PolarHBondContact O-N 2.8Å; F593-M595 HydrophobicContact CD2-CB 4.45Å; F593-M595 HydrophobicContact CE2-CB 4.41Å; F593-M595 HydrophobicContact CE2-CE 4.15Å; F593-L610 HydrophobicContact CE2-CD2 4.34Å; F593-L610 HydrophobicContact CZ-CD2 4.31Å; F593-R613 HydrophobicContact CD2-CG 3.85Å; F593-R613 HydrophobicContact CE2-CB 4.31Å; F593-R613 HydrophobicContact CE2-CG 3.7Å; F593-R613 HydrophobicContact CG-CG 4.49Å; F593-R613 HydrophobicContact CZ-CG 4.23Å; F593-M614 HydrophobicContact CE1-CG 3.89Å; F593-M614 HydrophobicContact CE1-SD 4.01Å; F593-M614 HydrophobicContact CZ-CG 4.05Å; F593-M614 HydrophobicContact CZ-SD 4.29Å; F593-L751 HydrophobicContact CZ-CD1 4.37Å
594	L	88.5	Confident	80.1	Confident	5 Å²	5	37.3 Å²	37.3	3%	0.026	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	143	168.2	-59	-173.9	0	0	0	110.7	I521 T523 F530 F552 V566 P568	I521-L594 HydrophobicContact CB-CD1 3.9Å; I521-L594 HydrophobicContact CD1-CD1 3.9Å; I521-L594 HydrophobicContact CG1-CD1 4.47Å; I521-L594 HydrophobicContact CG2-CD1 3.71Å; T523-L594 HydrophobicContact CG2-CD1 4.32Å; F530-L594 HydrophobicContact CE1-CD2 4.05Å; F530-L594 HydrophobicContact CE1-CG 4.24Å; F530-L594 HydrophobicContact CE2-CD2 4Å; F530-L594 HydrophobicContact CZ-CD2 3.6Å; F530-L594 HydrophobicContact CZ-CG 3.97Å; F552-L594 HydrophobicContact CB-CB 4.29Å; F552-L594 HydrophobicContact CB-CD1 4.01Å; F552-L594 HydrophobicContact CB-CG 4.36Å; F552-L594 HydrophobicContact CD1-CB 4.13Å; F552-L594 HydrophobicContact CD1-CG 4.39Å; F552-L594 HydrophobicContact CD2-CD1 4.06Å; F552-L594 HydrophobicContact CD2-CG 4.04Å; F552-L594 HydrophobicContact CE2-CG 4.48Å; F552-L594 HydrophobicContact CG-CB 4.09Å; F552-L594 HydrophobicContact CG-CD1 4.08Å; F552-L594 HydrophobicContact CG-CG 4Å; V566-L594 HydrophobicContact CG1-CB 4.18Å; P568-L594 HydrophobicContact CB-CD2 3.75Å
595	M	85.5	Confident	82.1	Confident	16 Å²	16	36.8 Å²	36.8	8%	0.079	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.2	176.2	176	179	-80.9	0	0	111.5	V566 I567 V569 F593 V597 L609 L610 R613	V566-M595 CarbonylContact C-O 3.52Å; V566-M595 WeakPolarHBondContact CA-O 3.42Å; I567-M595 HydrophobicContact CG1-CB 4.17Å; I567-M595 PolarHBondContact N-O 2.91Å; I567-M595 PolarHBondContact O-N 3.37Å; V569-M595 HydrophobicContact CG2-CB 4.48Å; F593-M595 HydrophobicContact CD2-CB 4.45Å; F593-M595 HydrophobicContact CE2-CB 4.41Å; F593-M595 HydrophobicContact CE2-CE 4.15Å; M595-V597 HydrophobicContact CG-CG1 3.65Å; M595-V597 HydrophobicContact SD-CG1 3.53Å; M595-V597 VanDerWaalsContact SD-CG1 3.53Å; M595-L609 HydrophobicContact CE-CB 4.43Å; M595-L609 WeakPolarHBondContact CE-O 3.32Å; M595-L609 HydrophobicContact SD-CB 4.26Å; M595-L610 HydrophobicContact CE-CD2 4.13Å; M595-L610 HydrophobicContact SD-CD2 4.03Å; M595-R613 HydrophobicContact CE-CB 3.33Å; M595-R613 HydrophobicContact CE-CG 3.76Å
596	A	84.8	Confident	83.7	Confident	28 Å²	28	34.1 Å²	34.1	23%	0.231	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	124.9	163.5	0	0	0	0	0	110.6	I556	I556-A596 HydrophobicContact CD1-CB 3.51Å; I556-A596 HydrophobicContact CG1-CB 4.23Å
597	V	83.6	Confident	84.6	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147.4	174.7	-57.6	0	0	0	0	111.9	H564 V565 I567 M595 L606 F736	H564-V597 CarbonylContact C-O 3.6Å; H564-V597 WeakPolarHBondContact CA-O 3.43Å; V565-V597 HydrophobicContact CG1-CG2 3.6Å; V565-V597 PolarHBondContact N-O 3.03Å; V565-V597 PolarHBondContact O-N 3.48Å; I567-V597 HydrophobicContact CD1-CG1 3.92Å; I567-V597 HydrophobicContact CD1-CG2 4.2Å; I567-V597 HydrophobicContact CG1-CG1 4.33Å; I567-V597 HydrophobicContact CG2-CG2 3.95Å; M595-V597 HydrophobicContact CG-CG1 3.65Å; M595-V597 HydrophobicContact SD-CG1 3.53Å; M595-V597 VanDerWaalsContact SD-CG1 3.53Å; V597-L606 HydrophobicContact CG1-CD1 3.87Å; V597-F736 HydrophobicContact CG2-CD2 4.36Å; V597-F736 HydrophobicContact CG2-CE2 3.71Å; V597-F736 HydrophobicContact CG2-CZ 3.93Å
598	P	84.2	Confident	84.8	Confident	47 Å²	47	34.5 Å²	34.5	31%	0.305	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	140.5	171.9	-21.9	33.8	0	0	0	111.9	N600	P598-N600 PolarHBondContact O-N 2.85Å
599	R	78.4	Confident	84.9	Confident	49 Å²	49	35.1 Å²	35.1	19%	0.185	18%	0.183	C	C	.	.	S	Bend	trans	-66	-22.9	-177.5	-76.5	167.5	170.2	-110.1	31	114.9	T562 E563 H564 V565 R735 F736 D738	T562-R599 WeakPolarHBondContact O-CD 3.46Å; T562-R599 PolarHBondContact O-NE 3.3Å; E563-R599 WeakPolarHBondContact O-CB 3.26Å; E563-R599 WeakPolarHBondContact O-CG 3.34Å; E563-R599 PolarHBondContact O-N 3.31Å; H564-R599 PolarHBondContact O-NE 2.74Å; V565-R599 HydrophobicContact CB-CG 4.2Å; V565-R599 HydrophobicContact CG1-CG 4.27Å; R599-R735 WeakPolarHBondContact O-CA 3.5Å; R599-F736 HydrophobicContact CB-CB 4.37Å; R599-F736 HydrophobicContact CG-CB 4.2Å; R599-F736 PolarHBondContact NH1-O 3.17Å; R599-F736 VanDerWaalsContact NH1-O 3.1Å; R599-F736 PolarHBondContact O-N 3Å; R599-D738 IonicContact CZ-OD1 3.46Å; R599-D738 IonicContact NH1-OD1 2.75Å; R599-D738 PolarHBondContact NH1-OD1 2.84Å; R599-D738 IonicContact NH2-OD1 3.74Å; R599-D738 PolarHBondContact NH2-OD1 3.24Å
600	N	79.4	Confident	85	Confident	106 Å²	106	34.7 Å²	34.7	57%	0.567	18%	0.181	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	109.9	169.7	-73	-86.5	0	0	0	108.1	P598 R735	P598-N600 PolarHBondContact O-N 2.85Å; N600-R735 PolarHBondContact OD1-NE 3.29Å
601	N	77.8	Confident	85.2	Confident	10 Å²	10	35.1 Å²	35.1	5%	0.053	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	175.2	-177.6	-148.7	-9.9	0	0	0	111.5	K605 H733 I734	N601-K605 WeakPolarHBondContact OD1-CB 3.13Å; N601-K605 WeakPolarHBondContact OD1-CD 3.44Å; N601-H733 WeakPolarHBondContact O-CA 3.3Å; N601-I734 PolarHBondContact N-O 2.84Å; N601-I734 PolarHBondContact O-N 3.1Å
602	T	83.9	Confident	85.3	Confident	32 Å²	32	39 Å²	39	20%	0.196	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	154.6	163.9	61.5	0	0	0	0	110.5	D604 K605 L606 R732	T602-D604 VanDerWaalsContact C-N 3.31Å; T602-D604 PolarHBondContact O-N 2.89Å; T602-K605 WeakPolarHBondContact O-CB 3.31Å; T602-K605 PolarHBondContact O-N 2.96Å; T602-K605 VanDerWaalsContact O-N 3.07Å; T602-K605 WeakPolarHBondContact OG1-CB 3.4Å; T602-K605 WeakPolarHBondContact OG1-CD 3.4Å; T602-K605 VanDerWaalsContact OG1-CG 3.27Å; T602-K605 WeakPolarHBondContact OG1-CG 3.45Å; T602-K605 PolarHBondContact OG1-N 3.08Å; T602-L606 PolarHBondContact O-N 2.93Å; T602-R732 CarbonylContact C-O 3.6Å; T602-R732 WeakPolarHBondContact CA-O 3.5Å; T602-R732 WeakPolarHBondContact CB-O 3.46Å
603	E	80.9	Confident	85.1	Confident	34 Å²	34	40.3 Å²	40.3	16%	0.159	21%	0.207	C	C	.	.	H	α-helix	trans	-53.2	-47.7	178.2	-168.2	-157.8	147.2	0	0	111.9	K605 L606 Y607 R710 F714 R732 I734	E603-K605 VanDerWaalsContact C-N 3.34Å; E603-K605 PolarHBondContact O-N 3.03Å; E603-L606 PolarHBondContact O-N 2.82Å; E603-Y607 WeakPolarHBondContact O-CB 3.42Å; E603-Y607 PolarHBondContact O-N 2.65Å; E603-R710 IonicContact OE1-CZ 3.19Å; E603-R710 IonicContact OE1-NH1 2.66Å; E603-R710 PolarHBondContact OE1-NH1 3.26Å; E603-R710 IonicContact OE1-NH2 3.75Å; E603-R710 PolarHBondContact OE1-NH2 3.13Å; E603-F714 HydrophobicContact CG-CE2 4.32Å; E603-F714 HydrophobicContact CG-CZ 3.74Å; E603-R732 HydrophobicContact CB-CB 3.98Å; E603-R732 PolarHBondContact N-O 2.89Å; E603-R732 WeakPolarHBondContact OE2-CD 3.41Å; E603-R732 VanDerWaalsContact OE2-CG 3.3Å; E603-R732 WeakPolarHBondContact OE2-CG 3.5Å; E603-R732 IonicContact OE2-NE 3.74Å; E603-I734 HydrophobicContact CB-CD1 4.4Å
604	D	82.3	Confident	85.1	Confident	54 Å²	54	39.9 Å²	39.9	29%	0.289	21%	0.205	S	C	.	.	H	α-helix	trans	-68.4	-29.3	178.5	-67.2	-58.8	0	0	0	112.6	T602 N608 R710 R732	T602-D604 VanDerWaalsContact C-N 3.31Å; T602-D604 PolarHBondContact O-N 2.89Å; D604-N608 PolarHBondContact O-N 2.78Å; D604-N608 PolarHBondContact O-ND2 2.69Å; D604-R710 IonicContact OD1-CZ 3.7Å; D604-R710 IonicContact OD1-NE 3.88Å; D604-R710 IonicContact OD1-NH2 2.65Å; D604-R710 PolarHBondContact OD1-NH2 3.05Å; D604-R732 IonicContact OD1-NH1 2.69Å; D604-R732 IonicContact OD2-CZ 3.92Å; D604-R732 IonicContact OD2-NH1 2.61Å; D604-R732 PolarHBondContact OD2-NH1 2.83Å
605	K	85.4	Confident	85.2	Confident	130 Å²	130	42.1 Å²	42.1	57%	0.565	22%	0.221	S	C	*	.	H	α-helix	trans	-72.9	-43.9	172	-79.4	175.9	179.6	-179.1	0	111.8	N601 T602 E603 Y607 N608 L609	N601-K605 WeakPolarHBondContact OD1-CB 3.13Å; N601-K605 WeakPolarHBondContact OD1-CD 3.44Å; T602-K605 WeakPolarHBondContact O-CB 3.31Å; T602-K605 PolarHBondContact O-N 2.96Å; T602-K605 VanDerWaalsContact O-N 3.07Å; T602-K605 WeakPolarHBondContact OG1-CB 3.4Å; T602-K605 WeakPolarHBondContact OG1-CD 3.4Å; T602-K605 VanDerWaalsContact OG1-CG 3.27Å; T602-K605 WeakPolarHBondContact OG1-CG 3.45Å; T602-K605 PolarHBondContact OG1-N 3.08Å; E603-K605 VanDerWaalsContact C-N 3.34Å; E603-K605 PolarHBondContact O-N 3.03Å; K605-Y607 VanDerWaalsContact C-N 3.32Å; K605-Y607 PolarHBondContact O-N 2.87Å; K605-N608 PolarHBondContact O-N 3.17Å; K605-L609 WeakPolarHBondContact O-CG 3.43Å; K605-L609 PolarHBondContact O-N 3.32Å
606	L	86.1	Confident	85.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-42.7	175.9	-179.2	59.7	0	0	0	110.7	I567 V597 T602 E603 N608 L609 L610 F714 F716 I734 L749	I567-L606 HydrophobicContact CD1-CD1 4.48Å; V597-L606 HydrophobicContact CG1-CD1 3.87Å; T602-L606 PolarHBondContact O-N 2.93Å; E603-L606 PolarHBondContact O-N 2.82Å; L606-N608 VanDerWaalsContact C-N 3.33Å; L606-N608 PolarHBondContact O-N 3.5Å; L606-L609 PolarHBondContact O-N 2.82Å; L606-L610 HydrophobicContact CD1-CD1 4.25Å; L606-L610 HydrophobicContact CD1-CG 4.31Å; L606-L610 HydrophobicContact CG-CD1 3.95Å; L606-L610 HydrophobicContact CG-CG 4.49Å; L606-L610 WeakPolarHBondContact O-CD1 3.27Å; L606-L610 VanDerWaalsContact O-CG 3.27Å; L606-L610 WeakPolarHBondContact O-CG 3.34Å; L606-L610 PolarHBondContact O-N 2.57Å; L606-F714 HydrophobicContact CB-CZ 4.32Å; L606-F714 HydrophobicContact CD2-CE2 3.91Å; L606-F714 HydrophobicContact CD2-CZ 3.95Å; L606-F714 HydrophobicContact CG-CZ 4.2Å; L606-F716 HydrophobicContact CD2-CZ 4.41Å; L606-I734 HydrophobicContact CB-CD1 4.33Å; L606-I734 HydrophobicContact CD2-CD1 3.59Å; L606-L749 HydrophobicContact CD2-CD2 4.49Å
607	Y	88.2	Confident	85.5	Confident	18 Å²	18	43.4 Å²	43.4	7%	0.071	22%	0.219	C	C	.	.	H	α-helix	trans	-54.7	-47.3	173.7	-172.8	-100.6	0	0	0	112.5	E603 K605 L610 L611 R710 L711 F712 F714	E603-Y607 WeakPolarHBondContact O-CB 3.42Å; E603-Y607 PolarHBondContact O-N 2.65Å; K605-Y607 VanDerWaalsContact C-N 3.32Å; K605-Y607 PolarHBondContact O-N 2.87Å; Y607-L610 PolarHBondContact O-N 3.25Å; Y607-L611 HydrophobicContact CE1-CD2 4.4Å; Y607-L611 WeakPolarHBondContact O-CB 3.4Å; Y607-L611 PolarHBondContact O-N 3.09Å; Y607-R710 HydrophobicContact CD1-CG 4.3Å; Y607-R710 HydrophobicContact CD2-CG 4.43Å; Y607-R710 HydrophobicContact CE1-CB 4.31Å; Y607-R710 HydrophobicContact CE1-CG 3.96Å; Y607-R710 HydrophobicContact CE2-CB 4.01Å; Y607-R710 HydrophobicContact CE2-CG 4.11Å; Y607-L711 PolarHBondContact OH-N 3.41Å; Y607-F712 HydrophobicContact CD2-CD2 4.31Å; Y607-F712 AromaticContact CD2-CE2 3.74Å; Y607-F712 HydrophobicContact CD2-CE2 3.74Å; Y607-F712 AromaticContact CD2-CZ 3.93Å; Y607-F712 HydrophobicContact CD2-CZ 3.93Å; Y607-F712 HydrophobicContact CE2-CD1 4.02Å; Y607-F712 AromaticContact CE2-CD2 3.7Å; Y607-F712 HydrophobicContact CE2-CD2 3.7Å; Y607-F712 AromaticContact CE2-CE1 3.71Å; Y607-F712 HydrophobicContact CE2-CE1 3.71Å; Y607-F712 AromaticContact CE2-CE2 3.38Å; Y607-F712 HydrophobicContact CE2-CE2 3.38Å; Y607-F712 HydrophobicContact CE2-CG 4Å; Y607-F712 AromaticContact CE2-CZ 3.37Å; Y607-F712 HydrophobicContact CE2-CZ 3.37Å; Y607-F712 WeakPolarHBondContact CE2-O 3.41Å; Y607-F712 AromaticContact CZ-CE1 3.85Å; Y607-F712 AromaticContact CZ-CZ 3.88Å; Y607-F712 WeakPolarHBondContact OH-CE1 3.28Å; Y607-F714 HydrophobicContact CD2-CD1 4.32Å; Y607-F714 HydrophobicContact CD2-CE1 4.17Å
608	N	87.8	Confident	85.7	Confident	89 Å²	89	43.7 Å²	43.7	48%	0.476	22%	0.22	S	C	.	.	H	α-helix	trans	-67.9	-36.4	178.6	-76.1	-63.6	0	0	0	112.7	D604 K605 L606 L611 L612	D604-N608 PolarHBondContact O-N 2.78Å; D604-N608 PolarHBondContact O-ND2 2.69Å; K605-N608 PolarHBondContact O-N 3.17Å; L606-N608 VanDerWaalsContact C-N 3.33Å; L606-N608 PolarHBondContact O-N 3.5Å; N608-L611 PolarHBondContact O-N 2.72Å; N608-L612 WeakPolarHBondContact O-CB 3.48Å; N608-L612 VanDerWaalsContact O-CG 3.23Å; N608-L612 WeakPolarHBondContact O-CG 3.33Å; N608-L612 PolarHBondContact O-N 2.67Å
609	L	88.6	Confident	85.5	Confident	64 Å²	64	46.7 Å²	46.7	34%	0.335	23%	0.229	S	C	.	.	H	α-helix	trans	-63.1	-43.4	173.7	-71.4	169.7	0	0	0	111.9	M595 K605 L606 L612 R613	M595-L609 HydrophobicContact CE-CB 4.43Å; M595-L609 WeakPolarHBondContact CE-O 3.32Å; M595-L609 HydrophobicContact SD-CB 4.26Å; K605-L609 WeakPolarHBondContact O-CG 3.43Å; K605-L609 PolarHBondContact O-N 3.32Å; L606-L609 PolarHBondContact O-N 2.82Å; L609-L612 PolarHBondContact O-N 3.49Å; L609-R613 PolarHBondContact O-N 2.78Å
610	L	89.4	Confident	85	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.4	-45.9	175.9	-67.3	163	0	0	0	111.4	V569 F593 M595 L606 Y607 L612 R613 M614 F712 F714 L749 L751	V569-L610 HydrophobicContact CG1-CD2 4.11Å; V569-L610 HydrophobicContact CG2-CD2 4.14Å; F593-L610 HydrophobicContact CE2-CD2 4.34Å; F593-L610 HydrophobicContact CZ-CD2 4.31Å; M595-L610 HydrophobicContact CE-CD2 4.13Å; M595-L610 HydrophobicContact SD-CD2 4.03Å; L606-L610 HydrophobicContact CD1-CD1 4.25Å; L606-L610 HydrophobicContact CD1-CG 4.31Å; L606-L610 HydrophobicContact CG-CD1 3.95Å; L606-L610 HydrophobicContact CG-CG 4.49Å; L606-L610 WeakPolarHBondContact O-CD1 3.27Å; L606-L610 VanDerWaalsContact O-CG 3.27Å; L606-L610 WeakPolarHBondContact O-CG 3.34Å; L606-L610 PolarHBondContact O-N 2.57Å; Y607-L610 PolarHBondContact O-N 3.25Å; L610-L612 PolarHBondContact O-N 2.89Å; L610-R613 PolarHBondContact O-N 2.92Å; L610-M614 WeakPolarHBondContact O-CE 3.41Å; L610-M614 WeakPolarHBondContact O-CG 3.49Å; L610-M614 PolarHBondContact O-N 3.17Å; L610-F712 HydrophobicContact CB-CE2 4.2Å; L610-F712 HydrophobicContact CB-CZ 4.02Å; L610-F712 HydrophobicContact CD1-CE2 4.36Å; L610-F714 HydrophobicContact CD1-CD1 3.84Å; L610-F714 HydrophobicContact CD1-CE1 4.16Å; L610-F714 HydrophobicContact CD1-CG 4.39Å; L610-L749 HydrophobicContact CD1-CD2 3.97Å; L610-L749 HydrophobicContact CD2-CD2 4.11Å; L610-L751 HydrophobicContact CD1-CD2 3.83Å; L610-L751 HydrophobicContact CD2-CD1 4.41Å; L610-L751 HydrophobicContact CD2-CD2 4.22Å
611	L	88.4	Confident	83.9	Confident	18 Å²	18	49.1 Å²	49.1	9%	0.094	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-40.9	176.5	-173.6	64	0	0	0	112	Y607 N608 M614 C615 V618 M620 L711 F712	Y607-L611 HydrophobicContact CE1-CD2 4.4Å; Y607-L611 WeakPolarHBondContact O-CB 3.4Å; Y607-L611 PolarHBondContact O-N 3.09Å; N608-L611 PolarHBondContact O-N 2.72Å; L611-M614 PolarHBondContact O-N 2.67Å; L611-C615 PolarHBondContact O-N 3.4Å; L611-V618 HydrophobicContact CD1-CB 4.39Å; L611-V618 HydrophobicContact CD1-CG1 3.58Å; L611-M620 HydrophobicContact CD2-CE 4.37Å; L611-M620 HydrophobicContact CD2-CG 4.36Å; L611-M620 HydrophobicContact CD2-SD 4.11Å; L611-L711 HydrophobicContact CD1-CD1 4.24Å; L611-F712 HydrophobicContact CD1-CE1 4.31Å
612	L	87.8	Confident	82.1	Confident	108 Å²	108	54.6 Å²	54.6	57%	0.565	28%	0.283	S	S	*	.	H	α-helix	trans	-64.4	-36.9	175	-76.2	168.1	0	0	0	112.7	P485 N608 L609 L610 M614 C615	P485-L612 WeakPolarHBondContact CB-O 3.3Å; P485-L612 WeakPolarHBondContact CG-O 3.5Å; N608-L612 WeakPolarHBondContact O-CB 3.48Å; N608-L612 VanDerWaalsContact O-CG 3.23Å; N608-L612 WeakPolarHBondContact O-CG 3.33Å; N608-L612 PolarHBondContact O-N 2.67Å; L609-L612 PolarHBondContact O-N 3.49Å; L610-L612 PolarHBondContact O-N 2.89Å; L612-M614 VanDerWaalsContact C-N 3.26Å; L612-M614 PolarHBondContact O-N 3.03Å; L612-C615 WeakPolarHBondContact O-CB 3.37Å; L612-C615 PolarHBondContact O-N 2.94Å; L612-C615 PolarHBondContact O-SG 2.86Å
613	R	87.1	Confident	80.1	Confident	30 Å²	30	60 Å²	60	11%	0.113	31%	0.306	C	S	.	.	H	α-helix	trans	-68.3	-25.6	177	-174.2	55.5	161.3	160.4	-2.3	113	R482 M483 P485 F593 M595 L609 L610	R482-R613 PolarHBondContact O-NH1 2.76Å; R482-R613 PolarHBondContact O-NH2 2.79Å; R482-R613 VanDerWaalsContact O-NH2 3.11Å; M483-R613 PolarHBondContact O-NH1 3.01Å; P485-R613 WeakPolarHBondContact CB-O 3.35Å; F593-R613 HydrophobicContact CD2-CG 3.85Å; F593-R613 HydrophobicContact CE2-CB 4.31Å; F593-R613 HydrophobicContact CE2-CG 3.7Å; F593-R613 HydrophobicContact CG-CG 4.49Å; F593-R613 HydrophobicContact CZ-CG 4.23Å; M595-R613 HydrophobicContact CE-CB 3.33Å; M595-R613 HydrophobicContact CE-CG 3.76Å; L609-R613 PolarHBondContact O-N 2.78Å; L610-R613 PolarHBondContact O-N 2.92Å
614	M	89.9	Confident	77.9	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	5.5	179.7	-57.7	-173.4	-70	0	0	113.7	L571 F593 L610 L611 L612 R616 Y617 V618 F712 L751 W753	L571-M614 HydrophobicContact CD2-SD 3.85Å; F593-M614 HydrophobicContact CE1-CG 3.89Å; F593-M614 HydrophobicContact CE1-SD 4.01Å; F593-M614 HydrophobicContact CZ-CG 4.05Å; F593-M614 HydrophobicContact CZ-SD 4.29Å; L610-M614 WeakPolarHBondContact O-CE 3.41Å; L610-M614 WeakPolarHBondContact O-CG 3.49Å; L610-M614 PolarHBondContact O-N 3.17Å; L611-M614 PolarHBondContact O-N 2.67Å; L612-M614 VanDerWaalsContact C-N 3.26Å; L612-M614 PolarHBondContact O-N 3.03Å; M614-R616 PolarHBondContact O-N 2.96Å; M614-Y617 HydrophobicContact CB-CD2 4.37Å; M614-Y617 HydrophobicContact CB-CE2 3.75Å; M614-Y617 HydrophobicContact CG-CE2 3.94Å; M614-Y617 PolarHBondContact O-N 2.98Å; M614-Y617 HydrophobicContact SD-CE2 4.32Å; M614-V618 HydrophobicContact CB-CB 4.25Å; M614-V618 HydrophobicContact CB-CG2 3.67Å; M614-V618 PolarHBondContact O-N 2.9Å; M614-F712 HydrophobicContact CE-CD1 4.23Å; M614-F712 HydrophobicContact CE-CE1 3.45Å; M614-F712 VanDerWaalsContact CE-CE1 3.45Å; M614-F712 HydrophobicContact CE-CE2 4.29Å; M614-F712 HydrophobicContact CE-CZ 3.49Å; M614-F712 VanDerWaalsContact CE-CZ 3.49Å; M614-L751 HydrophobicContact CE-CD1 3.68Å; M614-L751 HydrophobicContact SD-CD1 3.81Å; M614-W753 HydrophobicContact CE-CZ2 4.11Å
615	C	88.9	Confident	75.6	Confident	52 Å²	52	70.6 Å²	70.6	35%	0.351	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.9	-167.4	69.6	0	0	0	0	115.3	L611 L612 Y617	L611-C615 PolarHBondContact O-N 3.4Å; L612-C615 WeakPolarHBondContact O-CB 3.37Å; L612-C615 PolarHBondContact O-N 2.94Å; L612-C615 PolarHBondContact O-SG 2.86Å; C615-Y617 VanDerWaalsContact C-N 3.31Å; C615-Y617 PolarHBondContact O-N 3.46Å
616	R	88.1	Confident	73.3	Confident	52 Å²	52	73.9 Å²	73.9	20%	0.196	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-34	171.8	-179.8	176.7	76.2	116.1	-4.3	113	P485 M614 A766 A767 D769	P485-R616 WeakPolarHBondContact O-CB 3.41Å; M614-R616 PolarHBondContact O-N 2.96Å; R616-A766 PolarHBondContact NE-O 3.38Å; R616-A766 PolarHBondContact NH1-O 3.39Å; R616-A766 VanDerWaalsContact NH1-O 3.07Å; R616-A766 PolarHBondContact NH2-O 2.87Å; R616-A767 PolarHBondContact NH2-O 2.84Å; R616-D769 PolarHBondContact NH1-O 3.22Å; R616-D769 IonicContact NH1-OD2 2.66Å; R616-D769 PolarHBondContact NH2-O 3.31Å
617	Y	88.6	Confident	70.8	Confident	19 Å²	19	80.4 Å²	80.4	8%	0.075	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	4.1	-172.7	52.8	-92.8	0	0	0	113.9	M614 C615 F762 D763 A767	M614-Y617 HydrophobicContact CB-CD2 4.37Å; M614-Y617 HydrophobicContact CB-CE2 3.75Å; M614-Y617 HydrophobicContact CG-CE2 3.94Å; M614-Y617 PolarHBondContact O-N 2.98Å; M614-Y617 HydrophobicContact SD-CE2 4.32Å; C615-Y617 VanDerWaalsContact C-N 3.31Å; C615-Y617 PolarHBondContact O-N 3.46Å; Y617-F762 HydrophobicContact CD2-CD2 4.2Å; Y617-F762 HydrophobicContact CD2-CE1 4.22Å; Y617-F762 AromaticContact CD2-CE2 3.58Å; Y617-F762 HydrophobicContact CD2-CE2 3.58Å; Y617-F762 AromaticContact CD2-CZ 3.59Å; Y617-F762 HydrophobicContact CD2-CZ 3.59Å; Y617-F762 AromaticContact CE2-CE2 3.59Å; Y617-F762 HydrophobicContact CE2-CE2 3.59Å; Y617-F762 AromaticContact CE2-CZ 3.68Å; Y617-F762 HydrophobicContact CE2-CZ 3.68Å; Y617-F762 CarbonylContact O-C 3.57Å; Y617-F762 WeakPolarHBondContact O-CA 3.38Å; Y617-D763 PolarHBondContact O-N 3.38Å; Y617-A767 HydrophobicContact CD1-CB 4.09Å; Y617-A767 HydrophobicContact CD2-CB 3.76Å; Y617-A767 HydrophobicContact CE2-CB 4.22Å; Y617-A767 HydrophobicContact CG-CB 3.67Å
618	V	88.1	Confident	68.1	Low	5 Å²	5	87.9 Å²	87.9	3%	0.03	46%	0.46	C	S	.	.	B	Isolated β-bridge	trans	-115.2	109.3	171.5	176.5	0	0	0	0	110.4	L611 M614 L711 W753 Y761 F762	L611-V618 HydrophobicContact CD1-CB 4.39Å; L611-V618 HydrophobicContact CD1-CG1 3.58Å; M614-V618 HydrophobicContact CB-CB 4.25Å; M614-V618 HydrophobicContact CB-CG2 3.67Å; M614-V618 PolarHBondContact O-N 2.9Å; V618-L711 HydrophobicContact CG1-CD1 3.75Å; V618-W753 HydrophobicContact CB-CH2 4.47Å; V618-W753 HydrophobicContact CG1-CH2 3.82Å; V618-W753 HydrophobicContact CG2-CH2 3.74Å; V618-W753 HydrophobicContact CG2-CZ2 3.92Å; V618-Y761 CarbonylContact C-O 3.58Å; V618-Y761 WeakPolarHBondContact CA-O 3.45Å; V618-F762 HydrophobicContact CG2-CD2 3.95Å; V618-F762 HydrophobicContact CG2-CE2 4.4Å
619	K	80.9	Confident	65.1	Low	110 Å²	110	86.8 Å²	86.8	48%	0.478	47%	0.471	S	S	.	.			trans	-77.3	123.8	-178.7	-66.2	163.2	-171.8	163.6	0	109.8	Y761 D763	K619-Y761 PolarHBondContact N-O 2.96Å; K619-Y761 VanDerWaalsContact O-CD1 3.26Å; K619-Y761 WeakPolarHBondContact O-CD1 3.33Å; K619-D763 WeakPolarHBondContact CE-OD2 3.33Å; K619-D763 IonicContact NZ-OD2 3.64Å; K619-D763 PolarHBondContact NZ-OD2 2.9Å
620	M	67.5	Low	62.5	Low	129 Å²	129	89.7 Å²	89.7	64%	0.635	49%	0.493	S	S	*	.			trans	-87	133.1	171.2	-70.1	-178	64.3	0	0	110.4	L611 T622	L611-M620 HydrophobicContact CD2-CE 4.37Å; L611-M620 HydrophobicContact CD2-CG 4.36Å; L611-M620 HydrophobicContact CD2-SD 4.11Å; M620-T622 PolarHBondContact O-N 3.15Å
621	S	55.2	Low	59.7	Low	78 Å²	78	97.8 Å²	97.8	55%	0.545	54%	0.536	S	S	.	.			trans	-70.9	115.1	171.5	34.6	0	0	0	0	111.1
622	T	40.2	Very low	56.6	Low	125 Å²	125	108.1 Å²	108.1	77%	0.767	57%	0.573	S	S	*	*			trans	-76.2	128.9	164.6	46.4	0	0	0	0	109.6	M620 T624	M620-T622 PolarHBondContact O-N 3.15Å; T622-T624 PolarHBondContact O-N 2.79Å
623	E	42.1	Very low	53.6	Low	144 Å²	144	108.9 Å²	108.9	67%	0.673	59%	0.586	S	S	*	*	S	Bend	trans	-73.9	73.8	-170.2	-67.7	164.4	-166.7	0	0	113.4	R708	E623-R708 IonicContact OE1-CZ 2.74Å; E623-R708 VanDerWaalsContact OE1-CZ 3.24Å; E623-R708 IonicContact OE1-NE 2.57Å; E623-R708 PolarHBondContact OE1-NE 2.99Å; E623-R708 IonicContact OE1-NH2 2.76Å; E623-R708 PolarHBondContact OE1-NH2 3.38Å; E623-R708 IonicContact OE2-NH2 2.7Å
624	T	35.8	Very low	50.7	Low	118 Å²	118	113.5 Å²	113.5	72%	0.724	62%	0.622	S	S	*	*			trans	-152.6	93.1	162.3	45.8	0	0	0	0	111.5	T622	T622-T624 PolarHBondContact O-N 2.79Å
625	E	33.8	Very low	47.6	Very low	194 Å²	194	122.5 Å²	122.5	91%	0.907	66%	0.664	S	S	*	*			trans	167.5	72.3	145.2	-95.4	175.2	-158.2	0	0	110.1
626	E	37.5	Very low	44.7	Very low	198 Å²	198	127.3 Å²	127.3	93%	0.925	69%	0.686	S	S	*	*			trans	-96.8	118.2	158.5	-73.2	-169.8	153.4	0	0	108.6
627	T	32.2	Very low	41.8	Very low	137 Å²	137	134.1 Å²	134.1	84%	0.84	72%	0.72	S	S	*	*			trans	-143.3	142.7	162	16.6	0	0	0	0	109.8
628	D	32.1	Very low	38.7	Very low	175 Å²	175	140.4 Å²	140.4	94%	0.936	76%	0.755	S	S	*	*			trans	-66.4	147.9	-163.1	-75	-69.7	0	0	0	116.5
629	G	25.2	Very low	35.9	Very low	67 Å²	67	148.3 Å²	148.3	69%	0.691	80%	0.795	S	S	*	*			trans	-160.6	105.6	163.8	0	0	0	0	0	110.3
630	P	32.8	Very low	33.4	Very low	124 Å²	124	150.8 Å²	150.8	81%	0.805	81%	0.814	S	S	*	*			trans	-76	148.8	-170.4	29.7	-35.4	0	0	0	113
631	L	30.4	Very low	31.4	Very low	171 Å²	171	148.2 Å²	148.2	90%	0.895	82%	0.821	S	S	*	*			trans	-58.3	142.1	172.5	-69.6	96	0	0	0	111.5
632	R	25.1	Very low	30.1	Very low	234 Å²	234	152.5 Å²	152.5	88%	0.883	84%	0.837	S	S	*	*			trans	-118.8	130.3	153.2	-78.5	-170	169.5	-156.2	-3	109.1
633	C	24.4	Very low	29.3	Very low	125 Å²	125	150 Å²	150	85%	0.845	84%	0.836	S	S	*	*			trans	-68.7	148.5	162	-52.9	0	0	0	0	109.1
634	C	24.8	Very low	29.5	Very low	126 Å²	126	148.5 Å²	148.5	85%	0.851	84%	0.839	S	S	*	*			trans	-122	124.8	163.9	-67.2	0	0	0	0	107.7
635	E	25.5	Very low	29.1	Very low	190 Å²	190	150.6 Å²	150.6	89%	0.888	85%	0.846	S	S	*	*			trans	-83.3	159.1	170.7	-63.2	167.5	117	0	0	109.9
636	D	27.3	Very low	28.8	Very low	153 Å²	153	144.6 Å²	144.6	82%	0.818	84%	0.836	S	S	*	*			trans	-65.6	136	172.4	-73	-65.1	0	0	0	112.5
637	Q	27.1	Very low	28.3	Very low	194 Å²	194	142.9 Å²	142.9	91%	0.907	83%	0.832	S	S	*	*			trans	-165.3	138.8	136.9	-112.4	146.7	99.6	0	0	114.3
638	N	25.5	Very low	28	Very low	152 Å²	152	142.9 Å²	142.9	81%	0.813	82%	0.822	S	S	*	*			trans	-75.8	152.4	166.9	-72.1	-68.9	0	0	0	111.3
639	I	28.5	Very low	27.8	Very low	170 Å²	170	141.2 Å²	141.2	87%	0.872	81%	0.808	S	S	*	*			trans	-176.6	151.4	130.9	-97.1	154.5	0	0	0	111.7
640	N	27.4	Very low	27.9	Very low	162 Å²	162	146.4 Å²	146.4	87%	0.866	82%	0.815	S	S	*	*			trans	-65.7	156.5	-176	-62	-39.8	0	0	0	115.6
641	G	26	Very low	27.6	Very low	76 Å²	76	143.8 Å²	143.8	78%	0.784	81%	0.81	S	S	*	*			trans	178.7	110.6	159.5	0	0	0	0	0	116.8
642	N	27.5	Very low	27.5	Very low	167 Å²	167	141.3 Å²	141.3	89%	0.893	81%	0.807	S	S	*	*			trans	-36.1	150.1	176.1	-56.6	-19.8	0	0	0	118.7
643	G	23.6	Very low	27.8	Very low	72 Å²	72	135.6 Å²	135.6	74%	0.742	80%	0.8	S	S	*	*			trans	-80.2	-149.5	163.6	0	0	0	0	0	113.8
644	P	46.4	Very low	28	Very low	113 Å²	113	134.1 Å²	134.1	73%	0.734	79%	0.791	S	S	*	*			cis	-137.2	-156.1	13.1	43.2	-23.4	0	0	0	114.7
645	N	28.3	Very low	28.1	Very low	162 Å²	162	136.1 Å²	136.1	87%	0.866	79%	0.788	S	S	*	*			trans	80.5	134.7	176.9	-48.7	-31.7	0	0	0	115.6
646	G	27.6	Very low	28.1	Very low	68 Å²	68	135.4 Å²	135.4	70%	0.701	79%	0.787	S	S	*	*			cis	147.1	162.4	-7.9	0	0	0	0	0	112.9
647	I	26.9	Very low	28	Very low	163 Å²	163	136.6 Å²	136.6	84%	0.836	79%	0.788	S	S	*	*			trans	72.2	128.7	165	-63.8	168.1	0	0	0	114.9
648	H	25.8	Very low	28	Very low	136 Å²	136	132.6 Å²	132.6	63%	0.63	78%	0.777	S	S	*	*			cis	-152.6	156.4	2.1	-123.1	-143.9	0	0	0	111.1
649	E	27.2	Very low	28	Very low	140 Å²	140	132.3 Å²	132.3	65%	0.654	78%	0.775	S	S	*	*				35	154.2	128.3	-65.2	175	-176.9	0	0	122.1
650	E	26.7	Very low	28.1	Very low	177 Å²	177	132.8 Å²	132.8	83%	0.827	77%	0.774	S	S	*	*			cis	-156.6	165.9	1.1	-123.6	178.8	-177.1	0	0	107.6
651	G	27.1	Very low	28.9	Very low	68 Å²	68	129.9 Å²	129.9	70%	0.701	76%	0.764	S	S	*	*			cis	177.8	-177.5	3.4	0	0	0	0	0	111.4
652	S	28.9	Very low	28.9	Very low	120 Å²	120	134.3 Å²	134.3	84%	0.839	77%	0.769	S	S	*	*			trans	-119.8	157.5	172.8	-61	0	0	0	0	111.1
653	P	31.9	Very low	29	Very low	113 Å²	113	133.4 Å²	133.4	73%	0.734	77%	0.765	S	S	*	*				-125.6	151.2	116.7	3.6	18.5	0	0	0	110.4
654	S	27	Very low	29.3	Very low	95 Å²	95	138.9 Å²	138.9	66%	0.664	77%	0.771	S	S	*	*			cis	66	143.7	47.8	82.3	0	0	0	0	112.8
655	E	27.8	Very low	28.5	Very low	167 Å²	167	138 Å²	138	78%	0.78	77%	0.767	S	S	*	*			cis	-138.2	139.4	18.7	-68.9	168.5	166.4	0	0	109.9
656	M	24.8	Very low	28.6	Very low	175 Å²	175	136 Å²	136	86%	0.862	77%	0.766	S	S	*	*				58.8	129.8	92.9	-54.2	-172.1	-171.2	0	0	117.9
657	E	26.7	Very low	28.7	Very low	179 Å²	179	140.4 Å²	140.4	84%	0.836	77%	0.768	S	S	*	*				-169	119.1	112.8	-105.7	-175.2	176.3	0	0	112.7
658	T	25.6	Very low	28.7	Very low	110 Å²	110	140.8 Å²	140.8	68%	0.675	77%	0.772	S	S	*	*			trans	52.5	133.2	146.4	59.8	0	0	0	0	121.7
659	D	26.8	Very low	28.8	Very low	146 Å²	146	141.9 Å²	141.9	78%	0.781	78%	0.778	S	S	*	*			cis	74.7	138.4	36.2	-53.5	-44.5	0	0	0	113.7
660	E	30.9	Very low	28.9	Very low	180 Å²	180	144.6 Å²	144.6	84%	0.841	79%	0.79	S	S	*	*			cis	-128.6	-139.2	5.2	-68	-173.2	155.7	0	0	112.5
661	P	44.3	Very low	28.9	Very low	101 Å²	101	143.6 Å²	143.6	66%	0.656	79%	0.79	S	S	*	*				-131.2	-174.4	-108.3	43.3	-24.2	0	0	0	115.6
662	D	25.6	Very low	29	Very low	168 Å²	168	145.7 Å²	145.7	90%	0.898	79%	0.791	S	S	*	*				-168.6	156.3	123.7	-104.5	-19.3	0	0	0	111.9
663	D	29.7	Very low	28.9	Very low	149 Å²	149	145.7 Å²	145.7	80%	0.797	79%	0.791	S	S	*	*			trans	-100.2	147.7	-168.8	-117.1	-43.6	0	0	0	113.6
664	E	30.1	Very low	28.6	Very low	187 Å²	187	149.4 Å²	149.4	87%	0.874	80%	0.798	S	S	*	*				-178.6	170.5	101.5	-104.5	-150.7	164.9	0	0	113.2
665	S	28.8	Very low	28.7	Very low	94 Å²	94	152.1 Å²	152.1	66%	0.657	81%	0.806	S	S	*	*			trans	-107.4	156.5	-159.7	70	0	0	0	0	116.2
666	S	30.3	Very low	28.6	Very low	121 Å²	121	153.3 Å²	153.3	85%	0.846	81%	0.811	S	S	*	*			trans	-136.4	114.6	147.3	60.6	0	0	0	0	110
667	Q	29.4	Very low	28.6	Very low	159 Å²	159	150.9 Å²	150.9	74%	0.743	80%	0.802	S	S	*	*			trans	-93.2	134.9	172.8	-63.6	177.8	-2.3	0	0	109.9
668	D	27	Very low	28.6	Very low	171 Å²	171	147.7 Å²	147.7	91%	0.914	80%	0.799	S	S	*	*			trans	-126.3	138.2	156.2	-93.4	-50.8	0	0	0	108.4
669	Q	28.7	Very low	28.6	Very low	160 Å²	160	150.7 Å²	150.7	75%	0.748	81%	0.805	S	S	*	*			trans	-106.8	119.1	-176	-68.7	-178.9	-10.4	0	0	110.4
670	E	28.6	Very low	28.6	Very low	197 Å²	197	148.5 Å²	148.5	92%	0.921	80%	0.801	S	S	*	*			trans	-74.4	127.4	165.3	-65.7	-169.9	139.1	0	0	110.4
671	L	26.8	Very low	28.4	Very low	156 Å²	156	148.6 Å²	148.6	82%	0.817	80%	0.802	S	S	*	*			trans	-135.8	148.9	162.1	-80.9	179.5	0	0	0	109.9
672	P	28.7	Very low	27.5	Very low	112 Å²	112	150 Å²	150	73%	0.727	80%	0.804	S	S	*	*			trans	-84.2	155.8	-161.6	33.5	-37.1	0	0	0	113.9
673	S	27.6	Very low	27.5	Very low	120 Å²	120	146.8 Å²	146.8	84%	0.839	80%	0.795	S	S	*	*			trans	-74.8	120.5	166.8	55.7	0	0	0	0	111.2
674	E	26.3	Very low	27.4	Very low	190 Å²	190	145.9 Å²	145.9	89%	0.888	79%	0.794	S	S	*	*			trans	-74.6	174.2	174.8	-63.9	-166.7	127.9	0	0	113.2
675	N	28.1	Very low	27.2	Very low	153 Å²	153	140.6 Å²	140.6	82%	0.818	79%	0.79	S	S	*	*			trans	-133.7	107.9	-165	172	32	0	0	0	111.2
676	E	26.3	Very low	27	Very low	191 Å²	191	139.6 Å²	139.6	89%	0.893	80%	0.795	S	S	*	*			trans	-124.9	82.7	178.9	-71.6	-141.5	129.3	0	0	114.3
677	N	25.2	Very low	26.8	Very low	124 Å²	124	141 Å²	141	66%	0.663	79%	0.792	S	S	*	*				30.7	115	117.9	-161.5	24.9	0	0	0	121
678	S	26.3	Very low	26.8	Very low	112 Å²	112	139.9 Å²	139.9	78%	0.783	79%	0.792	S	S	*	*			trans	-160.8	123	150.7	-56.2	0	0	0	0	106.7
679	Q	24.6	Very low	26.7	Very low	173 Å²	173	137.5 Å²	137.5	81%	0.808	78%	0.779	S	S	*	*				54	127.7	59.8	-60.2	-166.9	-17.4	0	0	112.8
680	S	27.4	Very low	26.7	Very low	100 Å²	100	134.3 Å²	134.3	70%	0.699	77%	0.774	S	S	*	*			cis	-152.5	155.5	26.7	57.5	0	0	0	0	115.3
681	E	27.1	Very low	26.6	Very low	182 Å²	182	132.8 Å²	132.8	85%	0.85	77%	0.767	S	S	*	*			trans	42.1	144.2	132.9	-59.9	170.6	-172.9	0	0	120.9
682	D	24.8	Very low	26.4	Very low	131 Å²	131	132.1 Å²	132.1	70%	0.701	77%	0.765	S	S	*	*			cis	-143.8	-168.2	26.3	-154	27.3	0	0	0	109.4
683	S	26.4	Very low	26.2	Very low	101 Å²	101	130.4 Å²	130.4	71%	0.706	77%	0.767	S	S	*	*			cis	-154.7	176.1	16.8	-156	0	0	0	0	116.9
684	V	26.6	Very low	26	Very low	130 Å²	130	132.4 Å²	132.4	79%	0.788	77%	0.767	S	S	*	*			trans	-66.8	137.4	-166.8	174.2	0	0	0	0	117.8
685	G	25.8	Very low	25.9	Very low	75 Å²	75	128.9 Å²	128.9	77%	0.773	76%	0.762	S	S	*	*				112.6	136.9	124.1	0	0	0	0	0	119.8
686	G	26	Very low	25.7	Very low	74 Å²	74	128.7 Å²	128.7	76%	0.763	77%	0.767	S	S	*	*			trans	154.8	34.9	165	0	0	0	0	0	121.9
687	D	26.1	Very low	25.8	Very low	149 Å²	149	128.4 Å²	128.4	80%	0.797	77%	0.765	S	S	*	*			trans	20.2	146.8	152.9	-58.3	-6.2	0	0	0	124.3
688	N	28.1	Very low	25.7	Very low	136 Å²	136	131.4 Å²	131.4	73%	0.727	78%	0.776	S	S	*	*			trans	74.8	149.9	155.7	-71.2	26.9	0	0	0	119.2
689	D	26.5	Very low	25.7	Very low	122 Å²	122	131.4 Å²	131.4	65%	0.652	77%	0.771	S	S	*	*			cis	-154.5	151.2	2.5	-130.6	-41.4	0	0	0	115.3
690	S	26.8	Very low	25.6	Very low	92 Å²	92	128.6 Å²	128.6	64%	0.643	77%	0.769	S	S	*	*			trans	36.3	118	144.3	-63.5	0	0	0	0	125.6
691	E	26.5	Very low	25.4	Very low	165 Å²	165	133.2 Å²	133.2	77%	0.771	78%	0.777	S	S	*	*				79.6	139.5	120.5	-70.6	-157.4	156.1	0	0	126.4
692	N	24	Very low	25.3	Very low	143 Å²	143	128.5 Å²	128.5	77%	0.765	78%	0.777	S	S	*	*			trans	72.6	137.7	140.5	-77	-41	0	0	0	123.1
693	G	24.1	Very low	25.3	Very low	75 Å²	75	130.8 Å²	130.8	77%	0.773	78%	0.784	S	S	*	*			trans	155.2	90.1	157.8	0	0	0	0	0	116.9
694	L	23.4	Very low	25.6	Very low	162 Å²	162	134.6 Å²	134.6	85%	0.848	80%	0.795	S	S	*	*			trans	-66.1	145.8	179.3	-79	92.4	0	0	0	115.5
695	C	24.3	Very low	25.6	Very low	116 Å²	116	133.4 Å²	133.4	78%	0.784	79%	0.788	S	S	*	*			trans	14.9	138.1	142.7	-51.2	0	0	0	0	121.4
696	T	23.1	Very low	26	Very low	149 Å²	149	134.1 Å²	134.1	91%	0.914	80%	0.796	S	S	*	*			trans	-153.8	142.6	132.3	-9.9	0	0	0	0	111
697	E	28.2	Very low	26.5	Very low	185 Å²	185	136.4 Å²	136.4	86%	0.864	79%	0.786	S	S	*	*			trans	-89.8	143.1	169.2	-57.8	-179.2	134	0	0	109.7
698	E	24.3	Very low	27.7	Very low	188 Å²	188	138.1 Å²	138.1	88%	0.879	78%	0.781	S	S	*	*				-165.2	116.6	124.5	-115.9	-173.4	-159.8	0	0	114.7
699	T	26	Very low	29.6	Very low	112 Å²	112	139.8 Å²	139.8	69%	0.687	78%	0.782	S	S	*	*			trans	5.3	123.1	143.2	-41.3	0	0	0	0	120.3
700	C	21.5	Very low	32.3	Very low	114 Å²	114	137 Å²	137	77%	0.77	76%	0.763	S	S	*	*				-170.5	111.3	118.7	-100.7	0	0	0	0	117.2
701	K	24.3	Very low	35.1	Very low	196 Å²	196	133.6 Å²	133.6	85%	0.852	74%	0.737	S	S	*	*			trans	37.3	86.3	133.5	-62	176.8	180	173.4	0	119.5
702	G	24.3	Very low	38	Very low	83 Å²	83	126 Å²	126	86%	0.856	70%	0.701	S	S	*	*				69.9	129.1	100.6	0	0	0	0	0	120.6
703	Q	24.2	Very low	41	Very low	180 Å²	180	123 Å²	123	84%	0.841	69%	0.688	S	S	*	*			trans	-138.7	112.5	155.3	-163.2	167.6	16.3	0	0	110	T705	Q703-T705 PolarHBondContact O-N 2.87Å
704	L	33	Very low	43.9	Very low	181 Å²	181	120.8 Å²	120.8	95%	0.948	66%	0.657	S	S	*	*			trans	-77.1	117.3	173.7	-84.3	158.8	0	0	0	109.6
705	T	27.7	Very low	46.6	Very low	105 Å²	105	116.5 Å²	116.5	64%	0.644	63%	0.633	S	S	*	*			trans	-120.5	123.2	162.1	50.7	0	0	0	0	108.8	Q703 H707	Q703-T705 PolarHBondContact O-N 2.87Å; T705-H707 PolarHBondContact O-N 3.41Å
706	G	33.6	Very low	49.1	Very low	90 Å²	90	112.3 Å²	112.3	93%	0.928	60%	0.601	S	S	*	*			trans	-74.3	80.6	-171.3	0	0	0	0	0	113.2	R708	G706-R708 PolarHBondContact O-N 2.81Å
707	H	35.6	Very low	51.4	Low	121 Å²	121	106.7 Å²	106.7	56%	0.56	57%	0.566	S	S	*	*			trans	-81.6	109.6	168.6	-98.9	-59.2	0	0	0	110.5	T705 K709 R732	T705-H707 PolarHBondContact O-N 3.41Å; H707-K709 PolarHBondContact O-N 3.11Å; H707-R732 PolarHBondContact CE1-NH1 3.49Å; H707-R732 PolarHBondContact NE2-NH2 3.23Å
708	R	52.6	Low	53.1	Low	185 Å²	185	99.4 Å²	99.4	70%	0.698	53%	0.533	S	S	*	.			trans	-52.5	130.3	166.9	-83.5	-175.7	166.3	163.2	-1.6	109.6	E623 G706 R710	E623-R708 IonicContact OE1-CZ 2.74Å; E623-R708 VanDerWaalsContact OE1-CZ 3.24Å; E623-R708 IonicContact OE1-NE 2.57Å; E623-R708 PolarHBondContact OE1-NE 2.99Å; E623-R708 IonicContact OE1-NH2 2.76Å; E623-R708 PolarHBondContact OE1-NH2 3.38Å; E623-R708 IonicContact OE2-NH2 2.7Å; G706-R708 PolarHBondContact O-N 2.81Å; R708-R710 PolarHBondContact O-N 2.67Å
709	K	68.3	Low	54.4	Low	171 Å²	171	97 Å²	97	74%	0.743	53%	0.525	S	S	*	.			trans	-64	106.8	179.9	-173	176.6	-179.3	179.7	0	109.5	H707	H707-K709 PolarHBondContact O-N 3.11Å
710	R	82.8	Confident	55.4	Low	65 Å²	65	95.1 Å²	95.1	25%	0.245	53%	0.528	C	S	.	.			trans	-62	141.6	175.5	-67	-172.2	-174.5	160.4	1.8	110.1	E603 D604 Y607 R708	E603-R710 IonicContact OE1-CZ 3.19Å; E603-R710 IonicContact OE1-NH1 2.66Å; E603-R710 PolarHBondContact OE1-NH1 3.26Å; E603-R710 IonicContact OE1-NH2 3.75Å; E603-R710 PolarHBondContact OE1-NH2 3.13Å; D604-R710 IonicContact OD1-CZ 3.7Å; D604-R710 IonicContact OD1-NE 3.88Å; D604-R710 IonicContact OD1-NH2 2.65Å; D604-R710 PolarHBondContact OD1-NH2 3.05Å; Y607-R710 HydrophobicContact CD1-CG 4.3Å; Y607-R710 HydrophobicContact CD2-CG 4.43Å; Y607-R710 HydrophobicContact CE1-CB 4.31Å; Y607-R710 HydrophobicContact CE1-CG 3.96Å; Y607-R710 HydrophobicContact CE2-CB 4.01Å; Y607-R710 HydrophobicContact CE2-CG 4.11Å; R708-R710 PolarHBondContact O-N 2.67Å
711	L	85.2	Confident	56.6	Low	19 Å²	19	95.8 Å²	95.8	10%	0.099	52%	0.524	C	S	.	.	S	Bend	trans	-77	-25.3	-179.2	-58.9	179.4	0	0	0	113.2	Y607 L611 V618 W753 L757 Y761	Y607-L711 PolarHBondContact OH-N 3.41Å; L611-L711 HydrophobicContact CD1-CD1 4.24Å; V618-L711 HydrophobicContact CG1-CD1 3.75Å; L711-W753 HydrophobicContact CB-CH2 4.19Å; L711-W753 HydrophobicContact CB-CZ3 3.96Å; L711-L757 WeakPolarHBondContact O-CD1 3.11Å; L711-Y761 HydrophobicContact CD2-CD2 3.73Å; L711-Y761 HydrophobicContact CD2-CE2 4.02Å; L711-Y761 HydrophobicContact CD2-CG 4.03Å
712	F	88.3	Confident	57.7	Low	6 Å²	6	90.8 Å²	90.8	3%	0.026	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	158.1	-179.5	56.1	-88.9	0	0	0	109.8	Y607 L610 L611 M614 L751 D752 W753	Y607-F712 HydrophobicContact CD2-CD2 4.31Å; Y607-F712 AromaticContact CD2-CE2 3.74Å; Y607-F712 HydrophobicContact CD2-CE2 3.74Å; Y607-F712 AromaticContact CD2-CZ 3.93Å; Y607-F712 HydrophobicContact CD2-CZ 3.93Å; Y607-F712 HydrophobicContact CE2-CD1 4.02Å; Y607-F712 AromaticContact CE2-CD2 3.7Å; Y607-F712 HydrophobicContact CE2-CD2 3.7Å; Y607-F712 AromaticContact CE2-CE1 3.71Å; Y607-F712 HydrophobicContact CE2-CE1 3.71Å; Y607-F712 AromaticContact CE2-CE2 3.38Å; Y607-F712 HydrophobicContact CE2-CE2 3.38Å; Y607-F712 HydrophobicContact CE2-CG 4Å; Y607-F712 AromaticContact CE2-CZ 3.37Å; Y607-F712 HydrophobicContact CE2-CZ 3.37Å; Y607-F712 WeakPolarHBondContact CE2-O 3.41Å; Y607-F712 AromaticContact CZ-CE1 3.85Å; Y607-F712 AromaticContact CZ-CZ 3.88Å; Y607-F712 WeakPolarHBondContact OH-CE1 3.28Å; L610-F712 HydrophobicContact CB-CE2 4.2Å; L610-F712 HydrophobicContact CB-CZ 4.02Å; L610-F712 HydrophobicContact CD1-CE2 4.36Å; L611-F712 HydrophobicContact CD1-CE1 4.31Å; M614-F712 HydrophobicContact CE-CD1 4.23Å; M614-F712 HydrophobicContact CE-CE1 3.45Å; M614-F712 VanDerWaalsContact CE-CE1 3.45Å; M614-F712 HydrophobicContact CE-CE2 4.29Å; M614-F712 HydrophobicContact CE-CZ 3.49Å; M614-F712 VanDerWaalsContact CE-CZ 3.49Å; F712-L751 HydrophobicContact CD2-CB 4.14Å; F712-L751 HydrophobicContact CD2-CD1 4.43Å; F712-L751 HydrophobicContact CD2-CD2 4.23Å; F712-L751 HydrophobicContact CD2-CG 4.5Å; F712-L751 HydrophobicContact CE2-CD1 4.13Å; F712-L751 HydrophobicContact CE2-CD2 4.07Å; F712-D752 CarbonylContact C-O 3.58Å; F712-D752 VanDerWaalsContact CA-O 3.22Å; F712-D752 WeakPolarHBondContact CA-O 2.9Å; F712-D752 VanDerWaalsContact CB-O 3.28Å; F712-D752 WeakPolarHBondContact CB-O 3.39Å; F712-W753 HydrophobicContact CB-CD2 3.96Å; F712-W753 HydrophobicContact CB-CG 4.04Å; F712-W753 HydrophobicContact CB-CZ2 4.5Å; F712-W753 HydrophobicContact CD1-CD2 4.43Å; F712-W753 AromaticContact CD1-CE2 3.75Å; F712-W753 AromaticContact CD1-CH2 3.95Å; F712-W753 HydrophobicContact CD1-CH2 3.95Å; F712-W753 AromaticContact CD1-CZ2 3.49Å; F712-W753 HydrophobicContact CD1-CZ2 3.49Å; F712-W753 VanDerWaalsContact CD1-CZ2 3.49Å; F712-W753 HydrophobicContact CE1-CZ2 4.04Å; F712-W753 HydrophobicContact CG-CZ2 4.26Å
713	T	86.6	Confident	58.7	Low	81 Å²	81	93 Å²	93	50%	0.497	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	171.8	162.5	50.5	0	0	0	0	110	L751 D752	T713-L751 CarbonylContact O-C 3.45Å; T713-D752 PolarHBondContact N-O 3.18Å; T713-D752 PolarHBondContact O-N 3.27Å
714	F	85.6	Confident	59.9	Low	27 Å²	27	87.1 Å²	87.1	12%	0.118	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	148.1	175.1	57.9	-108.4	0	0	0	112.5	E603 L606 Y607 L610 I734 L749 A750 L751	E603-F714 HydrophobicContact CG-CE2 4.32Å; E603-F714 HydrophobicContact CG-CZ 3.74Å; L606-F714 HydrophobicContact CB-CZ 4.32Å; L606-F714 HydrophobicContact CD2-CE2 3.91Å; L606-F714 HydrophobicContact CD2-CZ 3.95Å; L606-F714 HydrophobicContact CG-CZ 4.2Å; Y607-F714 HydrophobicContact CD2-CD1 4.32Å; Y607-F714 HydrophobicContact CD2-CE1 4.17Å; L610-F714 HydrophobicContact CD1-CD1 3.84Å; L610-F714 HydrophobicContact CD1-CE1 4.16Å; L610-F714 HydrophobicContact CD1-CG 4.39Å; F714-I734 HydrophobicContact CE2-CD1 4.26Å; F714-I734 HydrophobicContact CZ-CD1 4.47Å; F714-L749 HydrophobicContact CB-CD1 3.93Å; F714-L749 HydrophobicContact CB-CG 4.35Å; F714-L749 HydrophobicContact CD2-CD1 3.93Å; F714-L749 HydrophobicContact CG-CD1 4.25Å; F714-A750 CarbonylContact C-O 3.11Å; F714-A750 WeakPolarHBondContact CA-O 3.48Å; F714-A750 WeakPolarHBondContact CB-O 3.26Å; F714-L751 HydrophobicContact CB-CD2 3.66Å
715	Q	79.8	Confident	60.8	Low	73 Å²	73	84.7 Å²	84.7	34%	0.341	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	133.9	-178.4	-62.9	-171.3	-45	0	0	109.9	A750 D752	Q715-A750 PolarHBondContact N-O 2.95Å; Q715-A750 PolarHBondContact O-N 2.88Å; Q715-D752 PolarHBondContact OE1-OD2 2.89Å
716	F	76.3	Confident	62	Low	27 Å²	27	80.5 Å²	80.5	12%	0.118	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	132.3	168.4	-68.3	-81.4	0	0	0	109.1	L606 Y726 F736 L749	L606-F716 HydrophobicContact CD2-CZ 4.41Å; F716-Y726 HydrophobicContact CB-CD2 3.96Å; F716-Y726 HydrophobicContact CB-CE2 3.95Å; F716-Y726 HydrophobicContact CD1-CD2 4.41Å; F716-Y726 HydrophobicContact CD1-CE2 4.38Å; F716-Y726 AromaticContact CD2-CD2 3.62Å; F716-Y726 HydrophobicContact CD2-CD2 3.62Å; F716-Y726 HydrophobicContact CD2-CE2 4.32Å; F716-Y726 HydrophobicContact CD2-CG 4.29Å; F716-Y726 HydrophobicContact CE2-CD2 4.22Å; F716-Y726 HydrophobicContact CE2-CG 4.48Å; F716-Y726 AromaticContact CG-CD2 3.74Å; F716-Y726 HydrophobicContact CG-CD2 3.74Å; F716-Y726 AromaticContact CG-CE2 3.97Å; F716-Y726 HydrophobicContact CG-CE2 3.97Å; F716-F736 AromaticContact CE1-CE1 3.77Å; F716-F736 HydrophobicContact CE1-CE1 3.77Å; F716-F736 HydrophobicContact CE1-CZ 4.24Å; F716-F736 AromaticContact CZ-CE1 3.68Å; F716-F736 HydrophobicContact CZ-CE1 3.68Å; F716-F736 AromaticContact CZ-CZ 3.79Å; F716-F736 HydrophobicContact CZ-CZ 3.79Å; F716-L749 HydrophobicContact CD1-CB 4.37Å; F716-L749 HydrophobicContact CD1-CD1 3.92Å; F716-L749 HydrophobicContact CD2-CD1 4.19Å; F716-L749 HydrophobicContact CE1-CB 4.29Å; F716-L749 HydrophobicContact CE1-CD1 3.84Å; F716-L749 HydrophobicContact CE1-CG 4.48Å; F716-L749 HydrophobicContact CE2-CD1 4.12Å; F716-L749 HydrophobicContact CG-CD1 4.09Å; F716-L749 HydrophobicContact CZ-CD1 3.94Å
717	I	71.2	Confident	63	Low	32 Å²	32	79.7 Å²	79.7	16%	0.164	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129	176.7	-59.8	-176.6	0	0	0	107.6	S747 F748 A750	I717-S747 WeakPolarHBondContact O-CA 3.39Å; I717-F748 HydrophobicContact CB-CE1 4.41Å; I717-F748 HydrophobicContact CB-CZ 4.38Å; I717-F748 HydrophobicContact CD1-CE2 4.02Å; I717-F748 HydrophobicContact CD1-CZ 3.96Å; I717-F748 HydrophobicContact CG2-CE1 4.3Å; I717-F748 HydrophobicContact CG2-CZ 4.45Å; I717-F748 PolarHBondContact N-O 3Å; I717-F748 PolarHBondContact O-N 2.85Å; I717-A750 HydrophobicContact CD1-CB 3.68Å; I717-A750 HydrophobicContact CG1-CB 4.24Å
718	N	63	Low	63.6	Low	32 Å²	32	81.3 Å²	81.3	17%	0.171	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	129.1	178	-169.2	-34.2	0	0	0	109.8	G720 N721 I724 R746	N718-G720 PolarHBondContact O-N 2.94Å; N718-N721 PolarHBondContact O-N 3.38Å; N718-I724 HydrophobicContact CB-CD1 3.75Å; N718-R746 WeakPolarHBondContact CA-O 3.37Å
719	L	52	Low	63.5	Low	136 Å²	136	80.1 Å²	80.1	71%	0.712	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	26.2	174.3	-103	73.9	0	0	0	116.3
720	G	47.5	Very low	62.5	Low	74 Å²	74	79.9 Å²	79.9	76%	0.763	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	-5.3	176.1	0	0	0	0	0	115.9	N718	N718-G720 PolarHBondContact O-N 2.94Å
721	N	47.1	Very low	61	Low	127 Å²	127	80.1 Å²	80.1	68%	0.679	44%	0.439	S	S	*	.	B	Isolated β-bridge	trans	-101.2	151.1	170.8	-79.1	-22.3	0	0	0	110.9	N718	N718-N721 PolarHBondContact O-N 3.38Å
722	T	47.1	Very low	60	Low	91 Å²	91	84.6 Å²	84.6	56%	0.558	45%	0.454	S	S	*	.			trans	-86.6	-14.1	177.2	46.6	0	0	0	0	114.1	I724	T722-I724 PolarHBondContact O-N 3.49Å
723	D	46	Very low	58.9	Low	131 Å²	131	89.2 Å²	89.2	70%	0.701	48%	0.476	S	S	*	.			trans	-104.2	90.3	-161.4	-65.6	3.7	0	0	0	111.6
724	I	49.3	Very low	58.1	Low	55 Å²	55	85.4 Å²	85.4	28%	0.282	45%	0.452	S	S	.	.			trans	-126.4	114.4	154.2	-55.3	178.1	0	0	0	107.9	N718 T722 Y726	N718-I724 HydrophobicContact CB-CD1 3.75Å; T722-I724 PolarHBondContact O-N 3.49Å; I724-Y726 HydrophobicContact CB-CD2 3.94Å; I724-Y726 HydrophobicContact CB-CE2 3.59Å; I724-Y726 HydrophobicContact CD1-CE2 4.14Å; I724-Y726 HydrophobicContact CG1-CE2 4.44Å; I724-Y726 HydrophobicContact CG2-CD1 4.33Å; I724-Y726 HydrophobicContact CG2-CD2 3.76Å; I724-Y726 HydrophobicContact CG2-CE1 4.02Å; I724-Y726 HydrophobicContact CG2-CE2 3.42Å; I724-Y726 VanDerWaalsContact CG2-CE2 3.42Å; I724-Y726 HydrophobicContact CG2-CG 4.21Å; I724-Y726 WeakPolarHBondContact O-CD2 3.39Å; I724-Y726 PolarHBondContact O-N 2.9Å
725	N	50.8	Low	57.3	Low	130 Å²	130	91.4 Å²	91.4	70%	0.695	47%	0.474	S	S	*	.			trans	-75.1	68.6	-179.8	-74.5	-3.2	0	0	0	112.1	I727	N725-I727 PolarHBondContact O-N 3Å
726	Y	54.3	Low	56.8	Low	17 Å²	17	88.3 Å²	88.3	7%	0.067	46%	0.46	C	S	.	.			trans	-65.4	-19	165	-67.2	-68	0	0	0	112.4	F716 I724 I734 R735 L741	F716-Y726 HydrophobicContact CB-CD2 3.96Å; F716-Y726 HydrophobicContact CB-CE2 3.95Å; F716-Y726 HydrophobicContact CD1-CD2 4.41Å; F716-Y726 HydrophobicContact CD1-CE2 4.38Å; F716-Y726 AromaticContact CD2-CD2 3.62Å; F716-Y726 HydrophobicContact CD2-CD2 3.62Å; F716-Y726 HydrophobicContact CD2-CE2 4.32Å; F716-Y726 HydrophobicContact CD2-CG 4.29Å; F716-Y726 HydrophobicContact CE2-CD2 4.22Å; F716-Y726 HydrophobicContact CE2-CG 4.48Å; F716-Y726 AromaticContact CG-CD2 3.74Å; F716-Y726 HydrophobicContact CG-CD2 3.74Å; F716-Y726 AromaticContact CG-CE2 3.97Å; F716-Y726 HydrophobicContact CG-CE2 3.97Å; I724-Y726 HydrophobicContact CB-CD2 3.94Å; I724-Y726 HydrophobicContact CB-CE2 3.59Å; I724-Y726 HydrophobicContact CD1-CE2 4.14Å; I724-Y726 HydrophobicContact CG1-CE2 4.44Å; I724-Y726 HydrophobicContact CG2-CD1 4.33Å; I724-Y726 HydrophobicContact CG2-CD2 3.76Å; I724-Y726 HydrophobicContact CG2-CE1 4.02Å; I724-Y726 HydrophobicContact CG2-CE2 3.42Å; I724-Y726 VanDerWaalsContact CG2-CE2 3.42Å; I724-Y726 HydrophobicContact CG2-CG 4.21Å; I724-Y726 WeakPolarHBondContact O-CD2 3.39Å; I724-Y726 PolarHBondContact O-N 2.9Å; Y726-I734 WeakPolarHBondContact O-CA 3.35Å; Y726-R735 WeakPolarHBondContact CD1-O 3.46Å; Y726-L741 HydrophobicContact CE1-CD1 4.41Å; Y726-L741 HydrophobicContact CE2-CD1 4.4Å; Y726-L741 VanDerWaalsContact OH-CD1 3.29Å; Y726-L741 WeakPolarHBondContact OH-CD1 3.4Å
727	I	53.7	Low	56	Low	73 Å²	73	92.4 Å²	92.4	37%	0.374	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	137.6	172	-55.4	172.5	0	0	0	107.8	N725 I734	N725-I727 PolarHBondContact O-N 3Å; I727-I734 HydrophobicContact CG1-CG1 4.24Å
728	K	48.5	Very low	55	Low	156 Å²	156	97 Å²	97	68%	0.678	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.4	171.7	-69.9	-168.4	173.6	-168.7	0	110.5	D730 T731	K728-D730 VanDerWaalsContact C-N 3.31Å; K728-D730 PolarHBondContact O-N 3.03Å; K728-D730 VanDerWaalsContact O-N 3.13Å; K728-T731 CarbonylContact O-C 3.39Å; K728-T731 PolarHBondContact O-N 3.4Å
729	D	49.8	Very low	54.3	Low	160 Å²	160	106.7 Å²	106.7	86%	0.856	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-40.5	-167.7	-55.4	-73.2	0	0	0	114.6	T731	D729-T731 PolarHBondContact O-N 3.25Å
730	D	48.8	Very low	54.2	Low	165 Å²	165	105.1 Å²	105.1	88%	0.882	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-18.1	-179.7	-88.7	-40	0	0	0	114.9	K728	K728-D730 VanDerWaalsContact C-N 3.31Å; K728-D730 PolarHBondContact O-N 3.03Å; K728-D730 VanDerWaalsContact O-N 3.13Å
731	T	50.7	Low	54.5	Low	71 Å²	71	103.8 Å²	103.8	44%	0.436	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	136	177.4	70.8	0	0	0	0	113.1	K728 D729 H733	K728-T731 CarbonylContact O-C 3.39Å; K728-T731 PolarHBondContact O-N 3.4Å; D729-T731 PolarHBondContact O-N 3.25Å; T731-H733 WeakPolarHBondContact CB-ND1 3.43Å; T731-H733 PolarHBondContact O-N 3.47Å; T731-H733 PolarHBondContact OG1-ND1 2.91Å
732	R	63.3	Low	54.8	Low	112 Å²	112	106.7 Å²	106.7	42%	0.423	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	37.9	174.7	-59.9	-178.1	-177.3	160.1	4	115.2	T602 E603 D604 H707	T602-R732 CarbonylContact C-O 3.6Å; T602-R732 WeakPolarHBondContact CA-O 3.5Å; T602-R732 WeakPolarHBondContact CB-O 3.46Å; E603-R732 HydrophobicContact CB-CB 3.98Å; E603-R732 PolarHBondContact N-O 2.89Å; E603-R732 WeakPolarHBondContact OE2-CD 3.41Å; E603-R732 VanDerWaalsContact OE2-CG 3.3Å; E603-R732 WeakPolarHBondContact OE2-CG 3.5Å; E603-R732 IonicContact OE2-NE 3.74Å; D604-R732 IonicContact OD1-NH1 2.69Å; D604-R732 IonicContact OD2-CZ 3.92Å; D604-R732 IonicContact OD2-NH1 2.61Å; D604-R732 PolarHBondContact OD2-NH1 2.83Å; H707-R732 PolarHBondContact CE1-NH1 3.49Å; H707-R732 PolarHBondContact NE2-NH2 3.23Å
733	H	65.5	Low	55.2	Low	103 Å²	103	105 Å²	105	48%	0.477	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	139.7	171.7	-69	101.7	0	0	0	110.4	N601 T731	N601-H733 WeakPolarHBondContact O-CA 3.3Å; T731-H733 WeakPolarHBondContact CB-ND1 3.43Å; T731-H733 PolarHBondContact O-N 3.47Å; T731-H733 PolarHBondContact OG1-ND1 2.91Å
734	I	70	Confident	55.8	Low	1 Å²	1	101 Å²	101	1%	0.005	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.1	174.9	-61.8	174.6	0	0	0	107.6	N601 E603 L606 F714 Y726 I727 F736	N601-I734 PolarHBondContact N-O 2.84Å; N601-I734 PolarHBondContact O-N 3.1Å; E603-I734 HydrophobicContact CB-CD1 4.4Å; L606-I734 HydrophobicContact CB-CD1 4.33Å; L606-I734 HydrophobicContact CD2-CD1 3.59Å; F714-I734 HydrophobicContact CE2-CD1 4.26Å; F714-I734 HydrophobicContact CZ-CD1 4.47Å; Y726-I734 WeakPolarHBondContact O-CA 3.35Å; I727-I734 HydrophobicContact CG1-CG1 4.24Å; I734-F736 HydrophobicContact CG2-CD2 4.2Å; I734-F736 HydrophobicContact CG2-CE1 4.39Å; I734-F736 HydrophobicContact CG2-CE2 3.66Å; I734-F736 HydrophobicContact CG2-CZ 3.77Å
735	R	67.9	Low	56.2	Low	153 Å²	153	102.3 Å²	102.3	58%	0.577	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	132	173.7	-78.2	-164.6	168.5	172.4	2.7	112.1	R599 N600 Y726	R599-R735 WeakPolarHBondContact O-CA 3.5Å; N600-R735 PolarHBondContact OD1-NE 3.29Å; Y726-R735 WeakPolarHBondContact CD1-O 3.46Å
736	F	69.4	Low	56.8	Low	9 Å²	9	103.4 Å²	103.4	4%	0.039	47%	0.473	C	S	.	.			trans	-105.4	82.7	176.6	-62.2	-83	0	0	0	110.1	V565 I567 V597 R599 F716 I734 L741	V565-F736 HydrophobicContact CG1-CB 3.87Å; V565-F736 HydrophobicContact CG1-CD1 4.05Å; V565-F736 HydrophobicContact CG1-CD2 3.87Å; V565-F736 HydrophobicContact CG1-CE2 4.35Å; V565-F736 HydrophobicContact CG1-CG 3.68Å; I567-F736 HydrophobicContact CG2-CE1 4.22Å; I567-F736 HydrophobicContact CG2-CZ 4.49Å; V597-F736 HydrophobicContact CG2-CD2 4.36Å; V597-F736 HydrophobicContact CG2-CE2 3.71Å; V597-F736 HydrophobicContact CG2-CZ 3.93Å; R599-F736 HydrophobicContact CB-CB 4.37Å; R599-F736 HydrophobicContact CG-CB 4.2Å; R599-F736 PolarHBondContact NH1-O 3.17Å; R599-F736 VanDerWaalsContact NH1-O 3.1Å; R599-F736 PolarHBondContact O-N 3Å; F716-F736 AromaticContact CE1-CE1 3.77Å; F716-F736 HydrophobicContact CE1-CE1 3.77Å; F716-F736 HydrophobicContact CE1-CZ 4.24Å; F716-F736 AromaticContact CZ-CE1 3.68Å; F716-F736 HydrophobicContact CZ-CE1 3.68Å; F716-F736 AromaticContact CZ-CZ 3.79Å; F716-F736 HydrophobicContact CZ-CZ 3.79Å; I734-F736 HydrophobicContact CG2-CD2 4.2Å; I734-F736 HydrophobicContact CG2-CE1 4.39Å; I734-F736 HydrophobicContact CG2-CE2 3.66Å; I734-F736 HydrophobicContact CG2-CZ 3.77Å; F736-L741 HydrophobicContact CD1-CD2 4.47Å; F736-L741 HydrophobicContact CE1-CD2 4.43Å
737	D	60.1	Low	57.8	Low	112 Å²	112	102.9 Å²	102.9	60%	0.599	47%	0.471	S	S	*	.			trans	-70.6	147.5	-179.9	-70.3	-9.9	0	0	0	111.8	R739	D737-R739 PolarHBondContact O-N 2.83Å
738	D	50.1	Low	59	Low	130 Å²	130	101.2 Å²	101.2	70%	0.695	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	11.8	-161.3	-80.1	-54.5	0	0	0	119	R599	R599-D738 IonicContact CZ-OD1 3.46Å; R599-D738 IonicContact NH1-OD1 2.75Å; R599-D738 PolarHBondContact NH1-OD1 2.84Å; R599-D738 IonicContact NH2-OD1 3.74Å; R599-D738 PolarHBondContact NH2-OD1 3.24Å
739	R	48.9	Very low	60.9	Low	234 Å²	234	93.9 Å²	93.9	88%	0.883	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.1	-3	-173.3	-65.7	-169.5	176.7	-161.5	-2	117	D737	D737-R739 PolarHBondContact O-N 2.83Å
740	Q	50.3	Low	62.6	Low	104 Å²	104	86.3 Å²	86.3	49%	0.486	39%	0.389	S	S	.	.	S	Bend	trans	-116.1	-19.5	-167.5	-72.2	-172.5	-28	0	0	117.7
741	L	52.5	Low	64.6	Low	45 Å²	45	78.4 Å²	78.4	24%	0.236	35%	0.347	C	S	.	.			trans	-99.9	107.6	167	-111.8	75	0	0	0	110.5	I567 Y726 F736	I567-L741 HydrophobicContact CB-CD2 4.18Å; I567-L741 HydrophobicContact CG2-CD2 3.52Å; Y726-L741 HydrophobicContact CE1-CD1 4.41Å; Y726-L741 HydrophobicContact CE2-CD1 4.4Å; Y726-L741 VanDerWaalsContact OH-CD1 3.29Å; Y726-L741 WeakPolarHBondContact OH-CD1 3.4Å; F736-L741 HydrophobicContact CD1-CD2 4.47Å; F736-L741 HydrophobicContact CE1-CD2 4.43Å
742	R	53.5	Low	66.4	Low	188 Å²	188	75.2 Å²	75.2	71%	0.709	33%	0.328	S	S	*	.			trans	-94.5	147.8	159	-72.1	-176.9	175.2	-171.7	-1.5	108.6	D744	R742-D744 VanDerWaalsContact C-N 3.32Å; R742-D744 WeakPolarHBondContact CB-OD2 3.4Å; R742-D744 PolarHBondContact O-N 3.17Å; R742-D744 VanDerWaalsContact O-N 3.1Å
743	L	56	Low	67.7	Low	55 Å²	55	70 Å²	70	29%	0.288	31%	0.308	S	S	.	.			trans	-79.6	84.5	170.1	-72.8	165.6	0	0	0	108	I533 V566	I533-L743 HydrophobicContact CD1-CB 4.13Å; V566-L743 HydrophobicContact CB-CD1 4.5Å; V566-L743 HydrophobicContact CB-CD2 4.39Å; V566-L743 HydrophobicContact CG1-CD2 4.15Å
744	D	57.4	Low	68.6	Low	49 Å²	49	66.6 Å²	66.6	26%	0.262	29%	0.293	S	S	.	.	S	Bend	trans	-134.9	164.1	177.5	63.7	52	0	0	0	112.7	R742 R746 S747	R742-D744 VanDerWaalsContact C-N 3.32Å; R742-D744 WeakPolarHBondContact CB-OD2 3.4Å; R742-D744 PolarHBondContact O-N 3.17Å; R742-D744 VanDerWaalsContact O-N 3.1Å; D744-R746 PolarHBondContact O-N 2.8Å; D744-R746 WeakPolarHBondContact OD1-CA 3.37Å; D744-R746 PolarHBondContact OD1-N 3.22Å; D744-S747 PolarHBondContact O-N 2.97Å; D744-S747 VanDerWaalsContact OD1-CB 3.25Å; D744-S747 WeakPolarHBondContact OD1-CB 3.2Å; D744-S747 PolarHBondContact OD1-N 3.29Å; D744-S747 VanDerWaalsContact OD1-N 3.07Å; D744-S747 PolarHBondContact OD1-OG 3.43Å; D744-S747 PolarHBondContact OD2-OG 2.83Å
745	E	58.3	Low	69.4	Low	82 Å²	82	68.2 Å²	68.2	38%	0.383	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-5.3	180	45	150.5	-139.1	0	0	115.1
746	R	63.8	Low	70.1	Confident	153 Å²	153	65.5 Å²	65.5	58%	0.577	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	-1.3	-172.1	-62.5	171.9	-160.4	-145.8	-2.8	113.7	N718 D744	N718-R746 WeakPolarHBondContact CA-O 3.37Å; D744-R746 PolarHBondContact O-N 2.8Å; D744-R746 WeakPolarHBondContact OD1-CA 3.37Å; D744-R746 PolarHBondContact OD1-N 3.22Å
747	S	74.1	Confident	70.9	Confident	5 Å²	5	66 Å²	66	4%	0.035	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	88.4	-171.6	-55.8	0	0	0	0	111	P568 I717 D744	P568-S747 WeakPolarHBondContact CG-O 3.48Å; I717-S747 WeakPolarHBondContact O-CA 3.39Å; D744-S747 PolarHBondContact O-N 2.97Å; D744-S747 VanDerWaalsContact OD1-CB 3.25Å; D744-S747 WeakPolarHBondContact OD1-CB 3.2Å; D744-S747 PolarHBondContact OD1-N 3.29Å; D744-S747 VanDerWaalsContact OD1-N 3.07Å; D744-S747 PolarHBondContact OD1-OG 3.43Å; D744-S747 PolarHBondContact OD2-OG 2.83Å
748	F	80.9	Confident	72.2	Confident	39 Å²	39	61.6 Å²	61.6	17%	0.171	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	160.4	-173.5	68.2	-88.6	0	0	0	114.7	P568 C570 I717 A750	P568-F748 HydrophobicContact CB-CB 4.39Å; P568-F748 HydrophobicContact CG-CB 4Å; C570-F748 HydrophobicContact CB-CD2 3.67Å; C570-F748 HydrophobicContact CB-CE2 3.77Å; I717-F748 HydrophobicContact CB-CE1 4.41Å; I717-F748 HydrophobicContact CB-CZ 4.38Å; I717-F748 HydrophobicContact CD1-CE2 4.02Å; I717-F748 HydrophobicContact CD1-CZ 3.96Å; I717-F748 HydrophobicContact CG2-CE1 4.3Å; I717-F748 HydrophobicContact CG2-CZ 4.45Å; I717-F748 PolarHBondContact N-O 3Å; I717-F748 PolarHBondContact O-N 2.85Å; F748-A750 HydrophobicContact CD2-CB 4.43Å; F748-A750 HydrophobicContact CE2-CB 4.01Å
749	L	86.4	Confident	73.9	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	111.2	172	-177.2	63.8	0	0	0	109.4	I567 P568 V569 C570 L606 L610 F714 F716 L751	I567-L749 HydrophobicContact CD1-CD2 3.85Å; P568-L749 PolarHBondContact O-N 3.35Å; V569-L749 WeakPolarHBondContact CA-O 3.34Å; V569-L749 HydrophobicContact CG2-CB 4.38Å; V569-L749 HydrophobicContact CG2-CD2 4.42Å; C570-L749 PolarHBondContact N-O 3.34Å; L606-L749 HydrophobicContact CD2-CD2 4.49Å; L610-L749 HydrophobicContact CD1-CD2 3.97Å; L610-L749 HydrophobicContact CD2-CD2 4.11Å; F714-L749 HydrophobicContact CB-CD1 3.93Å; F714-L749 HydrophobicContact CB-CG 4.35Å; F714-L749 HydrophobicContact CD2-CD1 3.93Å; F714-L749 HydrophobicContact CG-CD1 4.25Å; F716-L749 HydrophobicContact CD1-CB 4.37Å; F716-L749 HydrophobicContact CD1-CD1 3.92Å; F716-L749 HydrophobicContact CD2-CD1 4.19Å; F716-L749 HydrophobicContact CE1-CB 4.29Å; F716-L749 HydrophobicContact CE1-CD1 3.84Å; F716-L749 HydrophobicContact CE1-CG 4.48Å; F716-L749 HydrophobicContact CE2-CD1 4.12Å; F716-L749 HydrophobicContact CG-CD1 4.09Å; F716-L749 HydrophobicContact CZ-CD1 3.94Å; L749-L751 HydrophobicContact CD2-CD2 4.26Å; L749-L751 HydrophobicContact CG-CD2 4.18Å
750	A	86.4	Confident	75.6	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	128.9	172.1	0	0	0	0	0	110.2	C570 F714 Q715 I717 F748	C570-A750 CarbonylContact O-C 3.08Å; C570-A750 WeakPolarHBondContact O-CA 3.09Å; F714-A750 CarbonylContact C-O 3.11Å; F714-A750 WeakPolarHBondContact CA-O 3.48Å; F714-A750 WeakPolarHBondContact CB-O 3.26Å; Q715-A750 PolarHBondContact N-O 2.95Å; Q715-A750 PolarHBondContact O-N 2.88Å; I717-A750 HydrophobicContact CD1-CB 3.68Å; I717-A750 HydrophobicContact CG1-CB 4.24Å; F748-A750 HydrophobicContact CD2-CB 4.43Å; F748-A750 HydrophobicContact CE2-CB 4.01Å
751	L	90.8	Very high	77.4	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	110.4	168.3	-52.1	-171	0	0	0	108.8	V569 C570 L571 R572 F593 L610 M614 F712 T713 F714 L749	V569-L751 HydrophobicContact CG1-CD1 3.71Å; V569-L751 HydrophobicContact CG1-CD2 3.91Å; V569-L751 HydrophobicContact CG1-CG 3.57Å; C570-L751 PolarHBondContact O-N 3Å; L571-L751 HydrophobicContact CD2-CB 4.18Å; L571-L751 HydrophobicContact CD2-CD1 4.04Å; R572-L751 PolarHBondContact N-O 3.25Å; R572-L751 VanDerWaalsContact O-O 3.06Å; F593-L751 HydrophobicContact CZ-CD1 4.37Å; L610-L751 HydrophobicContact CD1-CD2 3.83Å; L610-L751 HydrophobicContact CD2-CD1 4.41Å; L610-L751 HydrophobicContact CD2-CD2 4.22Å; M614-L751 HydrophobicContact CE-CD1 3.68Å; M614-L751 HydrophobicContact SD-CD1 3.81Å; F712-L751 HydrophobicContact CD2-CB 4.14Å; F712-L751 HydrophobicContact CD2-CD1 4.43Å; F712-L751 HydrophobicContact CD2-CD2 4.23Å; F712-L751 HydrophobicContact CD2-CG 4.5Å; F712-L751 HydrophobicContact CE2-CD1 4.13Å; F712-L751 HydrophobicContact CE2-CD2 4.07Å; T713-L751 CarbonylContact O-C 3.45Å; F714-L751 HydrophobicContact CB-CD2 3.66Å; L749-L751 HydrophobicContact CD2-CD2 4.26Å; L749-L751 HydrophobicContact CG-CD2 4.18Å
752	D	88.3	Confident	79.1	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	107.6	-177.7	-66.8	-39.5	0	0	0	110.8	R572 K574 F712 T713 Q715	R572-D752 IonicContact CZ-OD1 2.93Å; R572-D752 IonicContact NE-OD1 2.91Å; R572-D752 PolarHBondContact NE-OD1 3.05Å; R572-D752 IonicContact NH2-OD1 2.7Å; R572-D752 PolarHBondContact NH2-OD1 2.98Å; R572-D752 IonicContact NH2-OD2 3.16Å; R572-D752 PolarHBondContact NH2-OD2 2.63Å; R572-D752 CarbonylContact O-C 3.53Å; R572-D752 WeakPolarHBondContact O-CA 3.24Å; K574-D752 HydrophobicContact CD-CB 3.98Å; K574-D752 WeakPolarHBondContact CE-OD1 3.44Å; K574-D752 WeakPolarHBondContact CE-OD2 2.99Å; K574-D752 HydrophobicContact CG-CB 4.36Å; K574-D752 VanDerWaalsContact NZ-CG 3.3Å; K574-D752 IonicContact NZ-OD1 2.63Å; K574-D752 PolarHBondContact NZ-OD1 2.71Å; K574-D752 IonicContact NZ-OD2 2.78Å; K574-D752 PolarHBondContact NZ-OD2 2.83Å; F712-D752 CarbonylContact C-O 3.58Å; F712-D752 VanDerWaalsContact CA-O 3.22Å; F712-D752 WeakPolarHBondContact CA-O 2.9Å; F712-D752 VanDerWaalsContact CB-O 3.28Å; F712-D752 WeakPolarHBondContact CB-O 3.39Å; T713-D752 PolarHBondContact N-O 3.18Å; T713-D752 PolarHBondContact O-N 3.27Å; Q715-D752 PolarHBondContact OE1-OD2 2.89Å
753	W	90.2	Very high	80.8	Confident	1 Å²	1	50.9 Å²	50.9	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	140	175	-72.1	78.6	0	0	0	111.7	L571 R572 E573 K574 F589 M614 V618 L711 F712 K758 F762	L571-W753 VanDerWaalsContact CD2-NE1 3.27Å; R572-W753 PolarHBondContact O-N 3.46Å; E573-W753 WeakPolarHBondContact CA-O 3.44Å; K574-W753 PolarHBondContact N-O 2.73Å; F589-W753 HydrophobicContact CE1-CB 4.21Å; F589-W753 HydrophobicContact CE1-CG 4.25Å; F589-W753 HydrophobicContact CZ-CB 4.18Å; F589-W753 AromaticContact CZ-CD1 3.68Å; F589-W753 HydrophobicContact CZ-CD2 4.45Å; F589-W753 AromaticContact CZ-CG 3.85Å; F589-W753 HydrophobicContact CZ-CG 3.85Å; M614-W753 HydrophobicContact CE-CZ2 4.11Å; V618-W753 HydrophobicContact CB-CH2 4.47Å; V618-W753 HydrophobicContact CG1-CH2 3.82Å; V618-W753 HydrophobicContact CG2-CH2 3.74Å; V618-W753 HydrophobicContact CG2-CZ2 3.92Å; L711-W753 HydrophobicContact CB-CH2 4.19Å; L711-W753 HydrophobicContact CB-CZ3 3.96Å; F712-W753 HydrophobicContact CB-CD2 3.96Å; F712-W753 HydrophobicContact CB-CG 4.04Å; F712-W753 HydrophobicContact CB-CZ2 4.5Å; F712-W753 HydrophobicContact CD1-CD2 4.43Å; F712-W753 AromaticContact CD1-CE2 3.75Å; F712-W753 AromaticContact CD1-CH2 3.95Å; F712-W753 HydrophobicContact CD1-CH2 3.95Å; F712-W753 AromaticContact CD1-CZ2 3.49Å; F712-W753 HydrophobicContact CD1-CZ2 3.49Å; F712-W753 VanDerWaalsContact CD1-CZ2 3.49Å; F712-W753 HydrophobicContact CE1-CZ2 4.04Å; F712-W753 HydrophobicContact CG-CZ2 4.26Å; W753-K758 HydrophobicContact CB-CB 4.33Å; W753-K758 HydrophobicContact CE3-CB 4.24Å; W753-F762 HydrophobicContact CH2-CD2 4.15Å; W753-F762 AromaticContact CZ2-CD2 3.96Å; W753-F762 HydrophobicContact CZ2-CD2 3.96Å; W753-F762 HydrophobicContact CZ3-CB 4.45Å
754	D	86.1	Confident	82.1	Confident	32 Å²	32	52.8 Å²	52.8	17%	0.171	24%	0.238	C	C	.	.			trans	-80	127.5	166.2	-170	-58.5	0	0	0	108.3	R576 D756 L757 K758	R576-D754 IonicContact CZ-OD2 2.66Å; R576-D754 IonicContact NE-OD2 3.94Å; R576-D754 PolarHBondContact NE-OD2 3.5Å; R576-D754 IonicContact NH2-OD2 2.9Å; R576-D754 PolarHBondContact NH2-OD2 2.74Å; D754-D756 PolarHBondContact O-N 2.77Å; D754-D756 VanDerWaalsContact O-N 3.17Å; D754-D756 PolarHBondContact OD1-N 3.48Å; D754-L757 HydrophobicContact CB-CB 4.16Å; D754-L757 HydrophobicContact CB-CD1 3.9Å; D754-L757 HydrophobicContact CB-CG 3.94Å; D754-L757 WeakPolarHBondContact O-CA 3.39Å; D754-L757 PolarHBondContact O-N 2.64Å; D754-K758 PolarHBondContact O-N 2.96Å
755	P	85.3	Confident	83.4	Confident	36 Å²	36	57 Å²	57	23%	0.234	26%	0.261	C	S	.	.	H	α-helix	trans	-55.2	-36	-173.9	-28.8	35.2	0	0	0	114.3	K574 F575 L757 K758 K759	K574-P755 WeakPolarHBondContact O-CD 3.32Å; F575-P755 HydrophobicContact CD1-CG 3.77Å; F575-P755 HydrophobicContact CE1-CB 4.29Å; F575-P755 HydrophobicContact CE1-CG 3.67Å; F575-P755 HydrophobicContact CG-CG 4.39Å; F575-P755 HydrophobicContact CZ-CG 4.21Å; P755-L757 VanDerWaalsContact C-N 3.3Å; P755-L757 PolarHBondContact O-N 3.38Å; P755-K758 PolarHBondContact O-N 2.66Å; P755-K759 WeakPolarHBondContact O-CB 3.5Å; P755-K759 PolarHBondContact O-N 3.44Å
756	D	84.1	Confident	84.7	Confident	95 Å²	95	54.2 Å²	54.2	51%	0.508	25%	0.252	S	S	.	.	H	α-helix	trans	-68.9	-28.4	176.8	-108.8	-51.1	0	0	0	112.7	D754 R760	D754-D756 PolarHBondContact O-N 2.77Å; D754-D756 VanDerWaalsContact O-N 3.17Å; D754-D756 PolarHBondContact OD1-N 3.48Å; D756-R760 VanDerWaalsContact O-CD 3.23Å; D756-R760 WeakPolarHBondContact O-CD 3.38Å; D756-R760 WeakPolarHBondContact O-CG 3.39Å; D756-R760 PolarHBondContact O-NE 3.4Å; D756-R760 IonicContact OD1-CZ 2.77Å; D756-R760 IonicContact OD1-NE 2.61Å; D756-R760 IonicContact OD1-NH2 3.15Å; D756-R760 PolarHBondContact OD1-NH2 3.29Å
757	L	85.8	Confident	85.6	Confident	21 Å²	21	47 Å²	47	11%	0.11	23%	0.225	C	C	.	.	H	α-helix	trans	-83.2	-40.6	175.4	-60.6	-179.1	0	0	0	111.1	L711 D754 P755 R760 Y761	L711-L757 WeakPolarHBondContact O-CD1 3.11Å; D754-L757 HydrophobicContact CB-CB 4.16Å; D754-L757 HydrophobicContact CB-CD1 3.9Å; D754-L757 HydrophobicContact CB-CG 3.94Å; D754-L757 WeakPolarHBondContact O-CA 3.39Å; D754-L757 PolarHBondContact O-N 2.64Å; P755-L757 VanDerWaalsContact C-N 3.3Å; P755-L757 PolarHBondContact O-N 3.38Å; L757-R760 PolarHBondContact O-N 3.07Å; L757-Y761 HydrophobicContact CB-CD2 4.42Å; L757-Y761 HydrophobicContact CD2-CD2 4.3Å; L757-Y761 HydrophobicContact CD2-CE2 4.02Å; L757-Y761 WeakPolarHBondContact O-CB 3.45Å; L757-Y761 WeakPolarHBondContact O-CD2 3.49Å; L757-Y761 PolarHBondContact O-N 3.25Å
758	K	87.3	Confident	86.1	Confident	18 Å²	18	52.1 Å²	52.1	8%	0.078	25%	0.248	C	C	.	.	H	α-helix	trans	-54.9	-55.2	172.2	-177	-169.1	164.8	-174.5	0	110	E573 F589 W753 D754 P755 R760 Y761 F762 E764	E573-K758 HydrophobicContact CG-CD 4.05Å; E573-K758 WeakPolarHBondContact OE1-CD 3.36Å; E573-K758 WeakPolarHBondContact OE1-CE 3.36Å; E573-K758 IonicContact OE1-NZ 3.58Å; E573-K758 PolarHBondContact OE1-NZ 3.04Å; F589-K758 HydrophobicContact CD1-CD 4.44Å; F589-K758 HydrophobicContact CD2-CD 4.11Å; F589-K758 VanDerWaalsContact CD2-CE 3.44Å; F589-K758 HydrophobicContact CE1-CD 4.07Å; F589-K758 HydrophobicContact CE2-CD 3.73Å; F589-K758 VanDerWaalsContact CE2-CE 3.45Å; F589-K758 HydrophobicContact CE2-CG 4.11Å; F589-K758 HydrophobicContact CG-CD 4.45Å; F589-K758 HydrophobicContact CZ-CD 3.7Å; F589-K758 HydrophobicContact CZ-CG 4.07Å; W753-K758 HydrophobicContact CB-CB 4.33Å; W753-K758 HydrophobicContact CE3-CB 4.24Å; D754-K758 PolarHBondContact O-N 2.96Å; P755-K758 PolarHBondContact O-N 2.66Å; K758-R760 PolarHBondContact O-N 3.12Å; K758-Y761 PolarHBondContact O-N 3.27Å; K758-F762 HydrophobicContact CG-CB 3.8Å; K758-F762 HydrophobicContact CG-CG 4.26Å; K758-F762 WeakPolarHBondContact O-CA 3.49Å; K758-F762 VanDerWaalsContact O-CB 3.28Å; K758-F762 WeakPolarHBondContact O-CB 3.41Å; K758-F762 PolarHBondContact O-N 3.49Å; K758-E764 WeakPolarHBondContact CE-OE1 3.21Å; K758-E764 IonicContact NZ-OE1 3.24Å; K758-E764 PolarHBondContact NZ-OE1 2.86Å
759	K	85.4	Confident	86.5	Confident	188 Å²	188	53.2 Å²	53.2	82%	0.817	26%	0.256	S	S	*	.	H	α-helix	trans	-59.5	-21.6	-177.9	-172.8	170.7	-178.2	174.5	0	114.8	P755	P755-K759 WeakPolarHBondContact O-CB 3.5Å; P755-K759 PolarHBondContact O-N 3.44Å
760	R	85.6	Confident	86.7	Confident	166 Å²	166	56.7 Å²	56.7	63%	0.626	27%	0.271	S	S	*	.	H	α-helix	trans	-97.1	-33.7	179.3	-67.5	173.6	-157.2	-133.7	3	113.7	D756 L757 K758	D756-R760 VanDerWaalsContact O-CD 3.23Å; D756-R760 WeakPolarHBondContact O-CD 3.38Å; D756-R760 WeakPolarHBondContact O-CG 3.39Å; D756-R760 PolarHBondContact O-NE 3.4Å; D756-R760 IonicContact OD1-CZ 2.77Å; D756-R760 IonicContact OD1-NE 2.61Å; D756-R760 IonicContact OD1-NH2 3.15Å; D756-R760 PolarHBondContact OD1-NH2 3.29Å; L757-R760 PolarHBondContact O-N 3.07Å; K758-R760 PolarHBondContact O-N 3.12Å
761	Y	86.9	Confident	87	Confident	62 Å²	62	60.7 Å²	60.7	24%	0.243	29%	0.29	C	S	.	.	H	α-helix	trans	-120.4	-18.7	-166.9	-61.9	-70.5	0	0	0	114.5	V618 K619 L711 L757 K758	V618-Y761 CarbonylContact C-O 3.58Å; V618-Y761 WeakPolarHBondContact CA-O 3.45Å; K619-Y761 PolarHBondContact N-O 2.96Å; K619-Y761 VanDerWaalsContact O-CD1 3.26Å; K619-Y761 WeakPolarHBondContact O-CD1 3.33Å; L711-Y761 HydrophobicContact CD2-CD2 3.73Å; L711-Y761 HydrophobicContact CD2-CE2 4.02Å; L711-Y761 HydrophobicContact CD2-CG 4.03Å; L757-Y761 HydrophobicContact CB-CD2 4.42Å; L757-Y761 HydrophobicContact CD2-CD2 4.3Å; L757-Y761 HydrophobicContact CD2-CE2 4.02Å; L757-Y761 WeakPolarHBondContact O-CB 3.45Å; L757-Y761 WeakPolarHBondContact O-CD2 3.49Å; L757-Y761 PolarHBondContact O-N 3.25Å; K758-Y761 PolarHBondContact O-N 3.27Å
762	F	88.9	Confident	87.1	Confident	17 Å²	17	67 Å²	67	8%	0.075	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-96.8	135.5	175.8	-163.3	-80.4	0	0	0	110	L571 F589 Y617 V618 W753 K758 E764 A767	L571-F762 HydrophobicContact CD1-CE2 3.9Å; L571-F762 HydrophobicContact CD1-CZ 3.88Å; L571-F762 HydrophobicContact CD2-CE2 4.17Å; F589-F762 HydrophobicContact CD2-CE1 4.29Å; F589-F762 HydrophobicContact CD2-CZ 4.28Å; F589-F762 HydrophobicContact CE2-CD1 4.12Å; F589-F762 HydrophobicContact CE2-CD2 4Å; F589-F762 AromaticContact CE2-CE1 3.88Å; F589-F762 HydrophobicContact CE2-CE1 3.88Å; F589-F762 AromaticContact CE2-CE2 3.75Å; F589-F762 HydrophobicContact CE2-CE2 3.75Å; F589-F762 HydrophobicContact CE2-CG 4.19Å; F589-F762 AromaticContact CE2-CZ 3.7Å; F589-F762 HydrophobicContact CE2-CZ 3.7Å; F589-F762 HydrophobicContact CZ-CD2 4.48Å; F589-F762 HydrophobicContact CZ-CE2 4.41Å; Y617-F762 HydrophobicContact CD2-CD2 4.2Å; Y617-F762 HydrophobicContact CD2-CE1 4.22Å; Y617-F762 AromaticContact CD2-CE2 3.58Å; Y617-F762 HydrophobicContact CD2-CE2 3.58Å; Y617-F762 AromaticContact CD2-CZ 3.59Å; Y617-F762 HydrophobicContact CD2-CZ 3.59Å; Y617-F762 AromaticContact CE2-CE2 3.59Å; Y617-F762 HydrophobicContact CE2-CE2 3.59Å; Y617-F762 AromaticContact CE2-CZ 3.68Å; Y617-F762 HydrophobicContact CE2-CZ 3.68Å; Y617-F762 CarbonylContact O-C 3.57Å; Y617-F762 WeakPolarHBondContact O-CA 3.38Å; V618-F762 HydrophobicContact CG2-CD2 3.95Å; V618-F762 HydrophobicContact CG2-CE2 4.4Å; W753-F762 HydrophobicContact CH2-CD2 4.15Å; W753-F762 AromaticContact CZ2-CD2 3.96Å; W753-F762 HydrophobicContact CZ2-CD2 3.96Å; W753-F762 HydrophobicContact CZ3-CB 4.45Å; K758-F762 HydrophobicContact CG-CB 3.8Å; K758-F762 HydrophobicContact CG-CG 4.26Å; K758-F762 WeakPolarHBondContact O-CA 3.49Å; K758-F762 VanDerWaalsContact O-CB 3.28Å; K758-F762 WeakPolarHBondContact O-CB 3.41Å; K758-F762 PolarHBondContact O-N 3.49Å; F762-E764 HydrophobicContact CD1-CG 3.79Å; F762-E764 HydrophobicContact CE1-CG 3.97Å; F762-A767 HydrophobicContact CE1-CB 3.84Å; F762-A767 HydrophobicContact CZ-CB 3.97Å
763	D	88.4	Confident	87.4	Confident	43 Å²	43	69 Å²	69	23%	0.23	33%	0.326	C	S	.	.			trans	-115.2	97.9	179.6	-164.1	-48.5	0	0	0	109.4	Y617 K619 N765 A766 A767	Y617-D763 PolarHBondContact O-N 3.38Å; K619-D763 WeakPolarHBondContact CE-OD2 3.33Å; K619-D763 IonicContact NZ-OD2 3.64Å; K619-D763 PolarHBondContact NZ-OD2 2.9Å; D763-N765 PolarHBondContact O-N 3.39Å; D763-A766 HydrophobicContact CB-CB 3.94Å; D763-A766 PolarHBondContact O-N 2.83Å; D763-A766 WeakPolarHBondContact OD1-CB 3.33Å; D763-A766 PolarHBondContact OD1-N 2.86Å; D763-A766 VanDerWaalsContact OD1-N 3.13Å; D763-A767 PolarHBondContact O-N 2.76Å
764	E	84.8	Confident	87.4	Confident	96 Å²	96	76.7 Å²	76.7	45%	0.449	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-42.4	-172	-65	177.8	137.3	0	0	111.9	K758 F762 A766 A767 E768	K758-E764 WeakPolarHBondContact CE-OE1 3.21Å; K758-E764 IonicContact NZ-OE1 3.24Å; K758-E764 PolarHBondContact NZ-OE1 2.86Å; F762-E764 HydrophobicContact CD1-CG 3.79Å; F762-E764 HydrophobicContact CE1-CG 3.97Å; E764-A766 PolarHBondContact O-N 2.95Å; E764-A767 WeakPolarHBondContact O-CB 3.23Å; E764-A767 PolarHBondContact O-N 3.12Å; E764-A767 VanDerWaalsContact O-N 3.08Å; E764-E768 PolarHBondContact O-N 2.81Å; E764-E768 VanDerWaalsContact O-N 3.08Å
765	N	84.6	Confident	87.4	Confident	136 Å²	136	76.1 Å²	76.1	73%	0.727	36%	0.361	S	S	*	.	H	α-helix	trans	-59.1	-45.9	174.9	-61.8	-52.7	0	0	0	111.4	D763 A767 E768 D769	D763-N765 PolarHBondContact O-N 3.39Å; N765-A767 VanDerWaalsContact C-N 3.26Å; N765-A767 PolarHBondContact O-N 2.99Å; N765-E768 PolarHBondContact O-N 3.1Å; N765-D769 WeakPolarHBondContact O-CB 3.29Å; N765-D769 PolarHBondContact O-N 3.08Å
766	A	85.3	Confident	87.4	Confident	24 Å²	24	75.6 Å²	75.6	20%	0.198	36%	0.357	C	S	.	.	H	α-helix	trans	-72.9	-15.2	177.8	0	0	0	0	0	113.9	R616 D763 E764	R616-A766 PolarHBondContact NE-O 3.38Å; R616-A766 PolarHBondContact NH1-O 3.39Å; R616-A766 VanDerWaalsContact NH1-O 3.07Å; R616-A766 PolarHBondContact NH2-O 2.87Å; D763-A766 HydrophobicContact CB-CB 3.94Å; D763-A766 PolarHBondContact O-N 2.83Å; D763-A766 WeakPolarHBondContact OD1-CB 3.33Å; D763-A766 PolarHBondContact OD1-N 2.86Å; D763-A766 VanDerWaalsContact OD1-N 3.13Å; E764-A766 PolarHBondContact O-N 2.95Å
767	A	83.4	Confident	87.2	Confident	2 Å²	2	78.8 Å²	78.8	2%	0.017	37%	0.369	C	S	.	.	H	α-helix	trans	-78.4	-42.8	172.2	0	0	0	0	0	111.2	R616 Y617 F762 D763 E764 N765	R616-A767 PolarHBondContact NH2-O 2.84Å; Y617-A767 HydrophobicContact CD1-CB 4.09Å; Y617-A767 HydrophobicContact CD2-CB 3.76Å; Y617-A767 HydrophobicContact CE2-CB 4.22Å; Y617-A767 HydrophobicContact CG-CB 3.67Å; F762-A767 HydrophobicContact CE1-CB 3.84Å; F762-A767 HydrophobicContact CZ-CB 3.97Å; D763-A767 PolarHBondContact O-N 2.76Å; E764-A767 WeakPolarHBondContact O-CB 3.23Å; E764-A767 PolarHBondContact O-N 3.12Å; E764-A767 VanDerWaalsContact O-N 3.08Å; N765-A767 VanDerWaalsContact C-N 3.26Å; N765-A767 PolarHBondContact O-N 2.99Å
768	E	83.7	Confident	86.4	Confident	112 Å²	112	84.4 Å²	84.4	52%	0.523	39%	0.39	S	S	.	.	H	α-helix	trans	-87.6	-18.2	-175.9	-63.6	-179.3	175.8	0	0	113.7	E764 N765 F770	E764-E768 PolarHBondContact O-N 2.81Å; E764-E768 VanDerWaalsContact O-N 3.08Å; N765-E768 PolarHBondContact O-N 3.1Å; E768-F770 PolarHBondContact O-N 2.83Å
769	D	88.8	Confident	85.2	Confident	63 Å²	63	92.6 Å²	92.6	34%	0.337	43%	0.425	S	S	.	.			trans	-54.6	126.5	176	170.2	31.3	0	0	0	113.4	K488 R616 N765	K488-D769 WeakPolarHBondContact CD-OD2 3.19Å; K488-D769 WeakPolarHBondContact CE-OD2 3.49Å; K488-D769 IonicContact NZ-OD1 2.64Å; K488-D769 PolarHBondContact NZ-OD1 2.98Å; K488-D769 IonicContact NZ-OD2 3.38Å; K488-D769 PolarHBondContact NZ-OD2 3.46Å; R616-D769 PolarHBondContact NH1-O 3.22Å; R616-D769 IonicContact NH1-OD2 2.66Å; R616-D769 PolarHBondContact NH2-O 3.31Å; N765-D769 WeakPolarHBondContact O-CB 3.29Å; N765-D769 PolarHBondContact O-N 3.08Å
770	F	90.8	Very high	83.9	Confident	74 Å²	74	86.7 Å²	86.7	33%	0.325	41%	0.406	S	S	.	.			trans	-139.4	157.3	-175.7	71.7	-93.1	0	0	0	112.4	Y479 P489 Q491 E768 K772	Y479-F770 HydrophobicContact CD1-CD2 4.31Å; Y479-F770 AromaticContact CE1-CD2 3.99Å; Y479-F770 HydrophobicContact CE1-CD2 3.99Å; Y479-F770 HydrophobicContact CE1-CE1 4.38Å; Y479-F770 AromaticContact CE1-CE2 3.82Å; Y479-F770 HydrophobicContact CE1-CE2 3.82Å; Y479-F770 HydrophobicContact CE1-CG 4.34Å; Y479-F770 HydrophobicContact CE1-CZ 4.03Å; P489-F770 HydrophobicContact CB-CB 4.16Å; P489-F770 CarbonylContact O-C 3.45Å; P489-F770 WeakPolarHBondContact O-CA 3.22Å; P489-F770 WeakPolarHBondContact O-CB 3.5Å; Q491-F770 HydrophobicContact CB-CD2 3.98Å; Q491-F770 HydrophobicContact CB-CE2 3.93Å; Q491-F770 HydrophobicContact CG-CE2 4.48Å; E768-F770 PolarHBondContact O-N 2.83Å; F770-K772 HydrophobicContact CD2-CG 4.45Å; F770-K772 HydrophobicContact CE2-CG 4.05Å
771	E	93.4	Very high	82.3	Confident	85 Å²	85	84.4 Å²	84.4	40%	0.397	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	159.7	177.9	-85.4	160.3	-147.4	0	0	112.3	K488 P489 M490 Q491	K488-E771 HydrophobicContact CD-CG 4.07Å; K488-E771 VanDerWaalsContact CD-OE1 3.3Å; K488-E771 WeakPolarHBondContact CD-OE1 3.18Å; K488-E771 WeakPolarHBondContact CE-OE1 3.29Å; K488-E771 IonicContact NZ-OE1 2.77Å; P489-E771 PolarHBondContact O-N 3.12Å; M490-E771 CarbonylContact C-O 3.59Å; M490-E771 WeakPolarHBondContact CA-O 3.44Å; M490-E771 HydrophobicContact CE-CB 4.19Å; Q491-E771 PolarHBondContact N-O 2.92Å
772	K	93.1	Very high	80.6	Confident	133 Å²	133	89.6 Å²	89.6	58%	0.578	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.8	-179.6	-64.1	-173.2	177.1	-175.5	0	111	Q491 F770 V776	Q491-K772 HydrophobicContact CB-CG 4.34Å; Q491-K772 VanDerWaalsContact OE1-CE 3.26Å; F770-K772 HydrophobicContact CD2-CG 4.45Å; F770-K772 HydrophobicContact CE2-CG 4.05Å; K772-V776 HydrophobicContact CD-CG1 4.38Å
773	H	92.9	Very high	79	Confident	44 Å²	44	98 Å²	98	20%	0.204	47%	0.473	C	S	.	.			trans	-77.3	151.5	173.9	-176.5	-106.9	0	0	0	111.3	M490 Q491 Y492 S775 V776	M490-H773 HydrophobicContact CG-CB 4.21Å; M490-H773 HydrophobicContact SD-CB 4.15Å; Q491-H773 WeakPolarHBondContact O-CB 3.22Å; Q491-H773 PolarHBondContact O-N 2.88Å; Y492-H773 HydrophobicContact CD1-CB 3.79Å; Y492-H773 AromaticContact CD1-CG 3.54Å; Y492-H773 AromaticContact CD1-ND1 3.48Å; Y492-H773 WeakPolarHBondContact CD1-ND1 3.45Å; Y492-H773 HydrophobicContact CD2-CB 4.43Å; Y492-H773 HydrophobicContact CE1-CB 3.86Å; Y492-H773 AromaticContact CE1-CD2 3.53Å; Y492-H773 AromaticContact CE1-CE1 3.88Å; Y492-H773 AromaticContact CE1-CG 3.39Å; Y492-H773 AromaticContact CE1-ND1 3.61Å; Y492-H773 AromaticContact CE1-NE2 3.85Å; Y492-H773 HydrophobicContact CE2-CB 4.47Å; Y492-H773 HydrophobicContact CG-CB 4.08Å; H773-S775 WeakPolarHBondContact ND1-CB 3.34Å; H773-S775 PolarHBondContact ND1-N 2.84Å; H773-S775 PolarHBondContact ND1-OG 2.79Å; H773-S775 PolarHBondContact O-N 2.87Å; H773-V776 WeakPolarHBondContact O-CB 3.48Å; H773-V776 WeakPolarHBondContact O-CG2 3.28Å; H773-V776 PolarHBondContact O-N 2.88Å
774	E	90	Very high	78	Confident	163 Å²	163	100.5 Å²	100.5	76%	0.762	49%	0.492	S	S	*	.	H	α-helix	trans	-52.9	-30.1	-179.2	-62	-175.8	171.8	0	0	113.4	V776 E777 Y778	E774-V776 PolarHBondContact O-N 3.48Å; E774-E777 PolarHBondContact O-N 3.31Å; E774-E777 VanDerWaalsContact O-N 3.11Å; E774-Y778 PolarHBondContact O-N 3.17Å
775	S	87.6	Confident	77.7	Confident	21 Å²	21	100 Å²	100	15%	0.147	49%	0.488	C	S	.	.	H	α-helix	trans	-64.1	-21	177.3	69.4	0	0	0	0	114	K493 H773 Y778	K493-S775 WeakPolarHBondContact CB-O 3.32Å; K493-S775 PolarHBondContact N-OG 2.8Å; K493-S775 WeakPolarHBondContact O-CB 3.47Å; K493-S775 PolarHBondContact O-OG 2.93Å; H773-S775 WeakPolarHBondContact ND1-CB 3.34Å; H773-S775 PolarHBondContact ND1-N 2.84Å; H773-S775 PolarHBondContact ND1-OG 2.79Å; H773-S775 PolarHBondContact O-N 2.87Å; S775-Y778 PolarHBondContact O-N 2.94Å
776	V	85.4	Confident	78	Confident	24 Å²	24	94.6 Å²	94.6	15%	0.145	46%	0.46	C	S	.	.	H	α-helix	trans	-68.4	-35.3	173.9	-177.2	0	0	0	0	111.5	Q491 K493 K772 H773 E774	Q491-V776 HydrophobicContact CB-CG2 4.41Å; Q491-V776 HydrophobicContact CG-CG2 4.23Å; Q491-V776 VanDerWaalsContact O-CG2 3.27Å; Q491-V776 WeakPolarHBondContact O-CG2 3.27Å; K493-V776 HydrophobicContact CB-CG2 4.29Å; K772-V776 HydrophobicContact CD-CG1 4.38Å; H773-V776 WeakPolarHBondContact O-CB 3.48Å; H773-V776 WeakPolarHBondContact O-CG2 3.28Å; H773-V776 PolarHBondContact O-N 2.88Å; E774-V776 PolarHBondContact O-N 3.48Å
777	E	79.4	Confident	78.4	Confident	163 Å²	163	98.2 Å²	98.2	76%	0.762	47%	0.471	S	S	*	.	H	α-helix	trans	-79.4	-24.7	177.8	-55.6	-160.9	155.9	0	0	112.6	E774 K779	E774-E777 PolarHBondContact O-N 3.31Å; E774-E777 VanDerWaalsContact O-N 3.11Å; E777-K779 PolarHBondContact O-N 2.9Å
778	Y	69.4	Low	78.9	Confident	139 Å²	139	98.2 Å²	98.2	55%	0.545	47%	0.471	S	S	.	.			trans	-63.1	101.2	179.4	-177.4	-106.3	0	0	0	112.3	E774 S775 P780	E774-Y778 PolarHBondContact O-N 3.17Å; S775-Y778 PolarHBondContact O-N 2.94Å; Y778-P780 HydrophobicContact CE1-CB 3.84Å; Y778-P780 HydrophobicContact CE1-CG 4.49Å; Y778-P780 WeakPolarHBondContact O-CD 3.37Å
779	K	60.3	Low	79.4	Confident	189 Å²	189	96.1 Å²	96.1	82%	0.822	46%	0.46	S	S	*	.			trans	-89.9	101.4	170	-71.7	167.6	-175.3	168	0	108.6	E777	E777-K779 PolarHBondContact O-N 2.9Å
780	P	58.8	Low	79.5	Confident	65 Å²	65	96.1 Å²	96.1	42%	0.422	46%	0.46	S	S	.	.			trans	-60.4	144.8	177.8	24.4	-34.2	0	0	0	110.6	Y778 K782	Y778-P780 HydrophobicContact CE1-CB 3.84Å; Y778-P780 HydrophobicContact CE1-CG 4.49Å; Y778-P780 WeakPolarHBondContact O-CD 3.37Å; P780-K782 PolarHBondContact O-N 2.84Å
781	P	51.4	Low	79.7	Confident	117 Å²	117	92.6 Å²	92.6	76%	0.76	45%	0.445	S	S	*	.			trans	-64.3	100.6	-178.9	26.1	-34.1	0	0	0	110.3	K783	P781-K783 PolarHBondContact O-N 2.79Å; P781-K783 VanDerWaalsContact O-N 3.14Å
782	K	53	Low	79.7	Confident	171 Å²	171	88.8 Å²	88.8	74%	0.743	43%	0.427	S	S	*	.			trans	-63.3	114.5	172.1	-64	179.3	-177.2	178	0	107.8	P780 P784	P780-K782 PolarHBondContact O-N 2.84Å; K782-P784 WeakPolarHBondContact O-CD 3.1Å; K782-P784 WeakPolarHBondContact O-CG 3.44Å; K782-P784 VanDerWaalsContact O-N 3.1Å
783	K	54.7	Low	79.7	Confident	194 Å²	194	87.5 Å²	87.5	84%	0.843	42%	0.423	S	S	*	.			trans	-55.5	112.1	146.5	-78.1	-166.5	174.3	-170.4	0	105.3	P781 F785	P781-K783 PolarHBondContact O-N 2.79Å; P781-K783 VanDerWaalsContact O-N 3.14Å; K783-F785 VanDerWaalsContact C-N 3.26Å; K783-F785 PolarHBondContact O-N 2.69Å
784	P	66.5	Low	79.6	Confident	96 Å²	96	88.7 Å²	88.7	62%	0.623	43%	0.431	S	S	*	.			trans	-76.3	-21.9	-165.1	-12.3	27.4	0	0	0	112.4	K782	K782-P784 WeakPolarHBondContact O-CD 3.1Å; K782-P784 WeakPolarHBondContact O-CG 3.44Å; K782-P784 VanDerWaalsContact O-N 3.1Å
785	F	79.4	Confident	79.8	Confident	86 Å²	86	82.6 Å²	82.6	38%	0.377	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	168.4	-176.1	61	-84.6	0	0	0	110.3	K783 K787 L851 D853	K783-F785 VanDerWaalsContact C-N 3.26Å; K783-F785 PolarHBondContact O-N 2.69Å; F785-K787 HydrophobicContact CD2-CG 4.41Å; F785-K787 HydrophobicContact CE2-CG 4.18Å; F785-L851 CarbonylContact C-O 3.52Å; F785-L851 WeakPolarHBondContact CA-O 3.38Å; F785-L851 HydrophobicContact CB-CB 4.08Å; F785-L851 HydrophobicContact CB-CD2 4.16Å; F785-L851 HydrophobicContact CB-CG 4.05Å; F785-L851 WeakPolarHBondContact CB-O 3.3Å; F785-D853 HydrophobicContact CD2-CB 3.6Å; F785-D853 HydrophobicContact CE2-CB 4.19Å; F785-D853 HydrophobicContact CG-CB 4.35Å
786	V	90.5	Very high	80.1	Confident	22 Å²	22	82.6 Å²	82.6	13%	0.133	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.9	169.3	172.6	0	0	0	0	106.7	P469 D790 T850 L851 V852 D853	P469-V786 HydrophobicContact CG-CG1 3.78Å; P469-V786 HydrophobicContact CG-CG2 4.23Å; V786-D790 HydrophobicContact CG1-CB 3.72Å; V786-D790 WeakPolarHBondContact CG1-OD2 3.35Å; V786-T850 HydrophobicContact CB-CG2 4.19Å; V786-T850 HydrophobicContact CG2-CG2 3.76Å; V786-L851 PolarHBondContact N-O 3.45Å; V786-V852 CarbonylContact O-C 3.59Å; V786-V852 VanDerWaalsContact O-CA 3.29Å; V786-V852 WeakPolarHBondContact O-CA 3.48Å; V786-D853 PolarHBondContact O-N 2.78Å
787	K	93.2	Very high	80.4	Confident	100 Å²	100	85.1 Å²	85.1	44%	0.435	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	151.5	176.5	-62.3	-166.4	166.7	-163.2	0	111.6	F785 K789 D790 C791 D853	F785-K787 HydrophobicContact CD2-CG 4.41Å; F785-K787 HydrophobicContact CE2-CG 4.18Å; K787-K789 PolarHBondContact O-N 2.86Å; K787-D790 PolarHBondContact N-OD2 3.28Å; K787-D790 WeakPolarHBondContact O-CB 3.2Å; K787-D790 PolarHBondContact O-N 3.5Å; K787-C791 PolarHBondContact O-N 2.9Å; K787-D853 CarbonylContact C-O 3.57Å; K787-D853 WeakPolarHBondContact CA-O 3.36Å; K787-D853 VanDerWaalsContact CE-OD2 3.31Å; K787-D853 WeakPolarHBondContact CE-OD2 3.4Å; K787-D853 HydrophobicContact CG-CB 4.28Å
788	L	95	Very high	81	Confident	2 Å²	2	83.2 Å²	83.2	1%	0.01	41%	0.406	C	S	.	.	H	α-helix	trans	-55.5	-36.2	173	-172.6	64.1	0	0	0	111.7	L466 C791 I792 V833 L835 V852 D853 F854 L859 L928 Y930	L466-L788 HydrophobicContact CD1-CD1 3.71Å; L788-C791 WeakPolarHBondContact O-CB 3.26Å; L788-C791 PolarHBondContact O-N 3.22Å; L788-C791 VanDerWaalsContact O-N 3.16Å; L788-I792 HydrophobicContact CG-CD1 4.22Å; L788-I792 WeakPolarHBondContact O-CG1 3.22Å; L788-I792 PolarHBondContact O-N 3.2Å; L788-I792 VanDerWaalsContact O-N 3.11Å; L788-V833 HydrophobicContact CD1-CG1 4.24Å; L788-L835 HydrophobicContact CD1-CD2 3.85Å; L788-V852 HydrophobicContact CB-CG1 4.43Å; L788-V852 HydrophobicContact CD1-CG1 4.37Å; L788-D853 PolarHBondContact N-O 2.72Å; L788-F854 HydrophobicContact CB-CB 4.01Å; L788-F854 HydrophobicContact CD2-CB 3.94Å; L788-F854 HydrophobicContact CG-CB 4.45Å; L788-L859 HydrophobicContact CD2-CD1 4.35Å; L788-L859 HydrophobicContact CD2-CD2 3.97Å; L788-L928 HydrophobicContact CD1-CD1 4.18Å; L788-L928 HydrophobicContact CD2-CD1 4.17Å; L788-Y930 HydrophobicContact CD2-CE2 4.15Å
789	K	93.3	Very high	82	Confident	67 Å²	67	81.7 Å²	81.7	29%	0.291	40%	0.404	S	S	.	.	H	α-helix	trans	-58	-48.9	173.7	-67.9	-167.4	161.9	-154.4	0	112.2	K787 C791 I792 E793 E863 F864	K787-K789 PolarHBondContact O-N 2.86Å; K789-C791 PolarHBondContact O-N 3.2Å; K789-C791 VanDerWaalsContact O-N 3.15Å; K789-I792 PolarHBondContact O-N 3.32Å; K789-E793 PolarHBondContact O-N 2.84Å; K789-E863 WeakPolarHBondContact CD-OE1 3.38Å; K789-E863 WeakPolarHBondContact CE-OE1 3.48Å; K789-E863 IonicContact NZ-OE1 2.71Å; K789-E863 PolarHBondContact NZ-OE1 3.38Å; K789-E863 IonicContact NZ-OE2 2.74Å; K789-E863 PolarHBondContact NZ-OE2 2.94Å; K789-F864 HydrophobicContact CB-CZ 3.91Å; K789-F864 HydrophobicContact CD-CZ 4.3Å; K789-F864 HydrophobicContact CG-CE2 4.16Å; K789-F864 HydrophobicContact CG-CZ 3.87Å
790	D	92	Very high	83.4	Confident	64 Å²	64	78.6 Å²	78.6	34%	0.342	39%	0.39	S	S	.	.	H	α-helix	trans	-54.3	-35.5	174.9	-43.9	-13.6	0	0	0	112.3	V786 K787 L794	V786-D790 HydrophobicContact CG1-CB 3.72Å; V786-D790 WeakPolarHBondContact CG1-OD2 3.35Å; K787-D790 PolarHBondContact N-OD2 3.28Å; K787-D790 WeakPolarHBondContact O-CB 3.2Å; K787-D790 PolarHBondContact O-N 3.5Å; D790-L794 WeakPolarHBondContact O-CB 3.47Å; D790-L794 PolarHBondContact O-N 3.01Å
791	C	94.4	Very high	84.8	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-74.8	-30.6	177.6	-64.1	0	0	0	0	113.3	L466 L468 K787 L788 K789 F795	L466-C791 HydrophobicContact CB-CB 4.11Å; L466-C791 HydrophobicContact CD1-CB 4.04Å; L468-C791 VanDerWaalsContact CD2-SG 3.6Å; K787-C791 PolarHBondContact O-N 2.9Å; L788-C791 WeakPolarHBondContact O-CB 3.26Å; L788-C791 PolarHBondContact O-N 3.22Å; L788-C791 VanDerWaalsContact O-N 3.16Å; K789-C791 PolarHBondContact O-N 3.2Å; K789-C791 VanDerWaalsContact O-N 3.15Å; C791-F795 WeakPolarHBondContact O-CB 3.46Å; C791-F795 PolarHBondContact O-N 2.57Å
792	I	94	Very high	86.3	Confident	4 Å²	4	72.6 Å²	72.6	2%	0.021	36%	0.358	C	S	.	.	H	α-helix	trans	-75.9	-38.9	174.5	-60.9	159	0	0	0	110.5	L466 L788 K789 L794 F795 T796 L824 M861 F864	L466-I792 HydrophobicContact CD1-CG1 3.7Å; L466-I792 HydrophobicContact CD2-CG1 4.16Å; L788-I792 HydrophobicContact CG-CD1 4.22Å; L788-I792 WeakPolarHBondContact O-CG1 3.22Å; L788-I792 PolarHBondContact O-N 3.2Å; L788-I792 VanDerWaalsContact O-N 3.11Å; K789-I792 PolarHBondContact O-N 3.32Å; I792-L794 VanDerWaalsContact C-N 3.32Å; I792-L794 PolarHBondContact O-N 3.27Å; I792-F795 PolarHBondContact O-N 3.01Å; I792-T796 PolarHBondContact O-N 3.21Å; I792-T796 PolarHBondContact O-OG1 3.05Å; I792-L824 HydrophobicContact CG2-CD1 4.2Å; I792-M861 HydrophobicContact CD1-CE 3.93Å; I792-M861 HydrophobicContact CD1-SD 3.72Å; I792-M861 HydrophobicContact CG2-CE 4.47Å; I792-F864 HydrophobicContact CB-CD1 4.38Å; I792-F864 HydrophobicContact CB-CD2 4.46Å; I792-F864 HydrophobicContact CB-CE1 4.21Å; I792-F864 HydrophobicContact CB-CE2 4.29Å; I792-F864 HydrophobicContact CB-CZ 4.16Å; I792-F864 HydrophobicContact CD1-CD2 4.23Å; I792-F864 HydrophobicContact CD1-CE2 3.86Å; I792-F864 HydrophobicContact CD1-CZ 4.37Å; I792-F864 HydrophobicContact CG2-CB 4.08Å; I792-F864 HydrophobicContact CG2-CD1 3.64Å; I792-F864 HydrophobicContact CG2-CD2 3.77Å; I792-F864 HydrophobicContact CG2-CE1 3.97Å; I792-F864 HydrophobicContact CG2-CE2 4.09Å; I792-F864 HydrophobicContact CG2-CG 3.54Å; I792-F864 HydrophobicContact CG2-CZ 4.18Å
793	E	92.6	Very high	87.7	Confident	107 Å²	107	67.5 Å²	67.5	50%	0.5	35%	0.348	S	S	.	.	H	α-helix	trans	-59.4	-43	169.3	-69.3	-178.6	-171.4	0	0	111.1	K789 T796 T797 F864	K789-E793 PolarHBondContact O-N 2.84Å; E793-T796 CarbonylContact O-C 3.53Å; E793-T796 PolarHBondContact O-N 3.49Å; E793-T796 PolarHBondContact O-OG1 3.07Å; E793-T797 WeakPolarHBondContact O-CB 3.23Å; E793-T797 PolarHBondContact O-N 2.88Å; E793-T797 PolarHBondContact O-OG1 2.98Å; E793-F864 HydrophobicContact CG-CE1 3.96Å
794	L	91.4	Very high	89	Confident	69 Å²	69	67.1 Å²	67.1	36%	0.361	35%	0.349	S	S	.	.	H	α-helix	trans	-67	-37.1	176.5	-171.1	61.5	0	0	0	112.4	P467 P469 D790 I792 T797	P467-L794 HydrophobicContact CB-CD2 4.06Å; P467-L794 HydrophobicContact CB-CG 4.37Å; P467-L794 HydrophobicContact CG-CB 4.17Å; P467-L794 HydrophobicContact CG-CD2 3.95Å; P467-L794 HydrophobicContact CG-CG 3.76Å; P469-L794 HydrophobicContact CG-CD2 4.13Å; D790-L794 WeakPolarHBondContact O-CB 3.47Å; D790-L794 PolarHBondContact O-N 3.01Å; I792-L794 VanDerWaalsContact C-N 3.32Å; I792-L794 PolarHBondContact O-N 3.27Å; L794-T797 WeakPolarHBondContact O-CB 3.34Å; L794-T797 PolarHBondContact O-N 3.17Å
795	F	93.3	Very high	90	Very high	35 Å²	35	67.8 Å²	67.8	15%	0.154	35%	0.347	C	S	.	.	H	α-helix	trans	-65.2	-36.7	173.8	179.2	-99	0	0	0	113.2	L464 T465 L466 C791 I792 L822 L824	L464-F795 HydrophobicContact CD2-CE1 4.01Å; L464-F795 HydrophobicContact CD2-CZ 4Å; T465-F795 WeakPolarHBondContact O-CD2 3.43Å; L466-F795 HydrophobicContact CD2-CB 3.67Å; L466-F795 HydrophobicContact CD2-CD1 4.36Å; L466-F795 HydrophobicContact CD2-CD2 4.15Å; L466-F795 HydrophobicContact CD2-CG 3.81Å; C791-F795 WeakPolarHBondContact O-CB 3.46Å; C791-F795 PolarHBondContact O-N 2.57Å; I792-F795 PolarHBondContact O-N 3.01Å; F795-L822 HydrophobicContact CE1-CB 4.25Å; F795-L822 HydrophobicContact CE1-CD1 4.03Å; F795-L822 HydrophobicContact CE2-CD1 3.98Å; F795-L822 HydrophobicContact CZ-CD1 3.53Å; F795-L824 HydrophobicContact CE1-CD2 4.25Å
796	T	93.2	Very high	90.6	Very high	21 Å²	21	65.8 Å²	65.8	13%	0.129	34%	0.343	C	S	.	.	H	α-helix	trans	-89.4	0.5	178.4	55.7	0	0	0	0	113.3	I792 E793 K821 L822 L824	I792-T796 PolarHBondContact O-N 3.21Å; I792-T796 PolarHBondContact O-OG1 3.05Å; E793-T796 CarbonylContact O-C 3.53Å; E793-T796 PolarHBondContact O-N 3.49Å; E793-T796 PolarHBondContact O-OG1 3.07Å; T796-K821 PolarHBondContact O-NZ 3.28Å; T796-L822 WeakPolarHBondContact CA-O 3.46Å; T796-L822 WeakPolarHBondContact CB-O 3.41Å; T796-L824 HydrophobicContact CG2-CG 4.44Å
797	T	92.7	Very high	90.8	Very high	77 Å²	77	67 Å²	67	47%	0.472	35%	0.346	S	S	.	.	S	Bend	trans	-71.9	148.6	174.8	-70.6	0	0	0	0	111.2	E793 L794 E799	E793-T797 WeakPolarHBondContact O-CB 3.23Å; E793-T797 PolarHBondContact O-N 2.88Å; E793-T797 PolarHBondContact O-OG1 2.98Å; L794-T797 WeakPolarHBondContact O-CB 3.34Å; L794-T797 PolarHBondContact O-N 3.17Å; T797-E799 PolarHBondContact O-N 3.08Å
798	K	91.1	Very high	90.9	Very high	123 Å²	123	67.5 Å²	67.5	54%	0.535	35%	0.346	S	S	.	.			trans	-72.5	115.4	175.6	-178.4	-178.8	177.6	178	0	110.8	T819 K820 K821	K798-T819 WeakPolarHBondContact CE-OG1 3.48Å; K798-T819 PolarHBondContact NZ-OG1 3.35Å; K798-K820 CarbonylContact C-O 3.51Å; K798-K820 WeakPolarHBondContact CA-O 3.34Å; K798-K821 HydrophobicContact CB-CB 4.23Å; K798-K821 HydrophobicContact CB-CD 4.37Å; K798-K821 HydrophobicContact CG-CB 4.42Å
799	E	90.6	Very high	90.8	Very high	107 Å²	107	67.4 Å²	67.4	50%	0.5	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	169	175.5	65.1	178.4	175.9	0	0	112.5	T797 T819 K820	T797-E799 PolarHBondContact O-N 3.08Å; E799-T819 CarbonylContact O-C 3.55Å; E799-T819 WeakPolarHBondContact O-CA 3.28Å; E799-T819 VanDerWaalsContact O-CB 3.3Å; E799-T819 WeakPolarHBondContact O-CB 3.26Å; E799-K820 HydrophobicContact CG-CB 4.22Å; E799-K820 PolarHBondContact N-O 3.45Å; E799-K820 PolarHBondContact O-N 2.97Å
800	K	89.9	Confident	90.8	Very high	123 Å²	123	67.3 Å²	67.3	54%	0.535	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130	167.4	-163.8	-162.2	-170.7	-158.9	0	108.5	Q817 T819	K800-Q817 HydrophobicContact CD-CB 4.5Å; K800-Q817 VanDerWaalsContact CE-O 3.31Å; K800-Q817 WeakPolarHBondContact CE-O 3.18Å; K800-T819 HydrophobicContact CB-CG2 4.3Å; K800-T819 HydrophobicContact CG-CG2 4.16Å
801	L	88.4	Confident	90.8	Very high	13 Å²	13	69.1 Å²	69.1	7%	0.068	36%	0.361	C	S	.	.			trans	-60.9	145.5	175.9	-68.2	177.2	0	0	0	111.7	L446 D805 W807 A818 K820	L446-L801 HydrophobicContact CD2-CD1 4.08Å; L801-D805 WeakPolarHBondContact CB-O 3.42Å; L801-W807 HydrophobicContact CD1-CB 3.74Å; L801-A818 WeakPolarHBondContact CB-O 3.19Å; L801-A818 HydrophobicContact CD1-CB 4.15Å; L801-A818 WeakPolarHBondContact CG-O 3.5Å; L801-A818 PolarHBondContact N-O 3.21Å; L801-K820 HydrophobicContact CD2-CB 4.16Å; L801-K820 HydrophobicContact CD2-CD 3.97Å; L801-K820 HydrophobicContact CG-CB 4.31Å
802	G	84	Confident	90.8	Very high	43 Å²	43	71 Å²	71	44%	0.443	37%	0.374	S	S	.	.			trans	-71.8	170.6	178.9	0	0	0	0	0	113.1	E804 D805	G802-E804 VanDerWaalsContact C-N 3.26Å; G802-E804 PolarHBondContact O-N 3.09Å; G802-D805 PolarHBondContact O-N 2.88Å
803	A	82.4	Confident	90.8	Very high	65 Å²	65	78 Å²	78	54%	0.537	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-29.5	174.8	0	0	0	0	0	113.1
804	E	81.4	Confident	90.9	Very high	186 Å²	186	78.5 Å²	78.5	87%	0.869	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-10.6	-178.3	-46.3	-60.3	149.7	0	0	113.6	G802 P806	G802-E804 VanDerWaalsContact C-N 3.26Å; G802-E804 PolarHBondContact O-N 3.09Å; E804-P806 VanDerWaalsContact C-CD 3.45Å
805	D	87.8	Confident	91.1	Very high	109 Å²	109	81.1 Å²	81.1	58%	0.583	42%	0.416	S	S	*	.	S	Bend	trans	-131.4	58.4	178.4	-174.8	32.6	0	0	0	112.2	L801 G802	L801-D805 WeakPolarHBondContact CB-O 3.42Å; G802-D805 PolarHBondContact O-N 2.88Å
806	P	92.2	Very high	91	Very high	45 Å²	45	80.8 Å²	80.8	29%	0.292	42%	0.415	S	S	.	.			trans	-83.1	139.5	-177.7	34.9	-35.9	0	0	0	112.3	E804 H815	E804-P806 VanDerWaalsContact C-CD 3.45Å; P806-H815 HydrophobicContact CB-CB 4Å; P806-H815 HydrophobicContact CG-CB 3.85Å; P806-H815 PolarHBondContact O-CD2 2.85Å
807	W	93.8	Very high	91	Very high	47 Å²	47	83.1 Å²	83.1	18%	0.178	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	133.6	179	170.3	78.5	0	0	0	112.2	L446 C448 L801 C809 Q816 A818	L446-W807 HydrophobicContact CD2-CB 4.06Å; L446-W807 HydrophobicContact CD2-CD2 4.42Å; L446-W807 HydrophobicContact CD2-CG 3.88Å; C448-W807 HydrophobicContact CB-CZ3 4.03Å; L801-W807 HydrophobicContact CD1-CB 3.74Å; W807-C809 HydrophobicContact CE3-CB 3.82Å; W807-C809 HydrophobicContact CH2-CB 4.09Å; W807-C809 HydrophobicContact CZ3-CB 3.41Å; W807-C809 VanDerWaalsContact CZ3-CB 3.41Å; W807-C809 PolarHBondContact O-N 3.44Å; W807-Q816 PolarHBondContact N-O 2.96Å; W807-Q816 PolarHBondContact O-N 2.88Å; W807-A818 HydrophobicContact CB-CB 4.01Å; W807-A818 HydrophobicContact CD2-CB 4.36Å; W807-A818 HydrophobicContact CE3-CB 3.87Å; W807-A818 HydrophobicContact CG-CB 4.48Å
808	Y	94.4	Very high	91.1	Very high	111 Å²	111	79.5 Å²	79.5	44%	0.435	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	111	174.1	-174.2	-97.9	0	0	0	111.5	P810 K813 H815	Y808-P810 WeakPolarHBondContact O-CD 3.13Å; Y808-K813 VanDerWaalsContact CE2-C 3.43Å; Y808-K813 WeakPolarHBondContact CE2-O 3.37Å; Y808-K813 VanDerWaalsContact OH-CA 3.26Å; Y808-K813 WeakPolarHBondContact OH-CA 3.42Å; Y808-K813 WeakPolarHBondContact OH-CB 3.24Å; Y808-K813 PolarHBondContact OH-O 3.25Å; Y808-K813 VanDerWaalsContact OH-O 3.12Å; Y808-H815 AromaticContact CD2-CE1 3.83Å; Y808-H815 AromaticContact CD2-NE2 3.83Å
809	C	94.6	Very high	91.3	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	116.5	178.6	-179.4	0	0	0	0	111	C448 W807 N811 C812 K813 E814 Q816	C448-C809 VanDerWaalsContact SG-SG 3.61Å; W807-C809 HydrophobicContact CE3-CB 3.82Å; W807-C809 HydrophobicContact CH2-CB 4.09Å; W807-C809 HydrophobicContact CZ3-CB 3.41Å; W807-C809 VanDerWaalsContact CZ3-CB 3.41Å; W807-C809 PolarHBondContact O-N 3.44Å; C809-N811 VanDerWaalsContact C-N 3.25Å; C809-N811 PolarHBondContact O-N 3.06Å; C809-C812 HydrophobicContact CB-CB 4.19Å; C809-C812 PolarHBondContact O-N 2.91Å; C809-K813 VanDerWaalsContact O-CA 3.31Å; C809-K813 WeakPolarHBondContact O-CA 3.36Å; C809-K813 PolarHBondContact O-N 3.19Å; C809-E814 PolarHBondContact N-O 3.27Å; C809-Q816 HydrophobicContact CB-CG 4.1Å
810	P	92	Very high	91.5	Very high	64 Å²	64	72.9 Å²	72.9	42%	0.416	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.9	-177.7	26.7	-35	0	0	0	113.7	K453 Y808 K813	K453-P810 HydrophobicContact CD-CG 4.22Å; Y808-P810 WeakPolarHBondContact O-CD 3.13Å; P810-K813 WeakPolarHBondContact O-CG 3.19Å
811	N	93.3	Very high	91.7	Very high	102 Å²	102	69.9 Å²	69.9	55%	0.545	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-52	176.7	-71	22.9	0	0	0	112.1	K453 C809 K813	K453-N811 WeakPolarHBondContact CD-OD1 3.03Å; C809-N811 VanDerWaalsContact C-N 3.25Å; C809-N811 PolarHBondContact O-N 3.06Å; N811-K813 VanDerWaalsContact C-N 3.3Å
812	C	93.6	Very high	92.1	Very high	40 Å²	40	70 Å²	70	27%	0.27	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-24	176.2	-53.8	0	0	0	0	113	C809 E814	C809-C812 HydrophobicContact CB-CB 4.19Å; C809-C812 PolarHBondContact O-N 2.91Å; C812-E814 HydrophobicContact CB-CB 4.5Å; C812-E814 PolarHBondContact O-N 2.89Å
813	K	94.6	Very high	92.6	Very high	152 Å²	152	69.2 Å²	69.2	66%	0.661	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	24.6	-172	-57.1	-178.4	-178.9	178.8	0	114.7	Y808 C809 P810 N811	Y808-K813 VanDerWaalsContact CE2-C 3.43Å; Y808-K813 WeakPolarHBondContact CE2-O 3.37Å; Y808-K813 VanDerWaalsContact OH-CA 3.26Å; Y808-K813 WeakPolarHBondContact OH-CA 3.42Å; Y808-K813 WeakPolarHBondContact OH-CB 3.24Å; Y808-K813 PolarHBondContact OH-O 3.25Å; Y808-K813 VanDerWaalsContact OH-O 3.12Å; C809-K813 VanDerWaalsContact O-CA 3.31Å; C809-K813 WeakPolarHBondContact O-CA 3.36Å; C809-K813 PolarHBondContact O-N 3.19Å; P810-K813 WeakPolarHBondContact O-CG 3.19Å; N811-K813 VanDerWaalsContact C-N 3.3Å
814	E	94.1	Very high	93.3	Very high	117 Å²	117	66.1 Å²	66.1	55%	0.547	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	159.7	-176.3	-67.7	-178.8	158.4	0	0	111.1	C809 C812	C809-E814 PolarHBondContact N-O 3.27Å; C812-E814 HydrophobicContact CB-CB 4.5Å; C812-E814 PolarHBondContact O-N 2.89Å
815	H	94.8	Very high	93.9	Very high	124 Å²	124	58.3 Å²	58.3	57%	0.574	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	130.8	171.5	-68.6	98.8	0	0	0	110.4	P806 Y808	P806-H815 HydrophobicContact CB-CB 4Å; P806-H815 HydrophobicContact CG-CB 3.85Å; P806-H815 PolarHBondContact O-CD2 2.85Å; Y808-H815 AromaticContact CD2-CE1 3.83Å; Y808-H815 AromaticContact CD2-NE2 3.83Å
816	Q	93	Very high	94.2	Very high	28 Å²	28	54.9 Å²	54.9	13%	0.131	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	142.9	-169.4	-69.5	-65.7	-19.3	0	0	110.7	W807 C809 A818	W807-Q816 PolarHBondContact N-O 2.96Å; W807-Q816 PolarHBondContact O-N 2.88Å; C809-Q816 HydrophobicContact CB-CG 4.1Å; Q816-A818 PolarHBondContact O-N 3.4Å
817	Q	93.1	Very high	94.2	Very high	70 Å²	70	53.2 Å²	53.2	33%	0.327	26%	0.258	S	S	.	.			trans	-75.1	67.4	171.9	-67.9	-178.2	-1	0	0	110.2	K800	K800-Q817 HydrophobicContact CD-CB 4.5Å; K800-Q817 VanDerWaalsContact CE-O 3.31Å; K800-Q817 WeakPolarHBondContact CE-O 3.18Å
818	A	93.8	Very high	94.3	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.25	C	S	.	.			trans	-59.4	152.9	177	0	0	0	0	0	111.4	L446 V447 L801 W807 Q816	L446-A818 HydrophobicContact CD2-CB 4.4Å; V447-A818 VanDerWaalsContact O-CA 3.31Å; V447-A818 WeakPolarHBondContact O-CA 3.47Å; V447-A818 WeakPolarHBondContact O-CB 3.25Å; L801-A818 WeakPolarHBondContact CB-O 3.19Å; L801-A818 HydrophobicContact CD1-CB 4.15Å; L801-A818 WeakPolarHBondContact CG-O 3.5Å; L801-A818 PolarHBondContact N-O 3.21Å; W807-A818 HydrophobicContact CB-CB 4.01Å; W807-A818 HydrophobicContact CD2-CB 4.36Å; W807-A818 HydrophobicContact CE3-CB 3.87Å; W807-A818 HydrophobicContact CG-CB 4.48Å; Q816-A818 PolarHBondContact O-N 3.4Å
819	T	95.1	Very high	94.3	Very high	35 Å²	35	46.9 Å²	46.9	22%	0.215	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.6	164.8	57.1	0	0	0	0	109.5	L446 V447 K798 E799 K800	L446-T819 WeakPolarHBondContact CA-O 3.4Å; V447-T819 PolarHBondContact N-O 3.06Å; V447-T819 PolarHBondContact O-N 3.35Å; K798-T819 WeakPolarHBondContact CE-OG1 3.48Å; K798-T819 PolarHBondContact NZ-OG1 3.35Å; E799-T819 CarbonylContact O-C 3.55Å; E799-T819 WeakPolarHBondContact O-CA 3.28Å; E799-T819 VanDerWaalsContact O-CB 3.3Å; E799-T819 WeakPolarHBondContact O-CB 3.26Å; K800-T819 HydrophobicContact CB-CG2 4.3Å; K800-T819 HydrophobicContact CG-CG2 4.16Å
820	K	94.4	Very high	94.4	Very high	57 Å²	57	46.9 Å²	46.9	25%	0.248	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	142.6	-179.9	-177.6	179.5	174.5	-172.6	0	109	T445 L446 K798 E799 L801	T445-K820 CarbonylContact O-C 3.53Å; T445-K820 WeakPolarHBondContact O-CA 3.45Å; L446-K820 HydrophobicContact CD2-CB 4.28Å; L446-K820 HydrophobicContact CD2-CG 4.35Å; K798-K820 CarbonylContact C-O 3.51Å; K798-K820 WeakPolarHBondContact CA-O 3.34Å; E799-K820 HydrophobicContact CG-CB 4.22Å; E799-K820 PolarHBondContact N-O 3.45Å; E799-K820 PolarHBondContact O-N 2.97Å; L801-K820 HydrophobicContact CD2-CB 4.16Å; L801-K820 HydrophobicContact CD2-CD 3.97Å; L801-K820 HydrophobicContact CG-CB 4.31Å
821	K	95.6	Very high	94.7	Very high	60 Å²	60	43.8 Å²	43.8	26%	0.261	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	138.4	167.9	171.4	163.6	163.2	44.6	0	108.3	T445 T796 K798 D823	T445-K821 PolarHBondContact N-O 3.23Å; T445-K821 PolarHBondContact O-N 3.39Å; T796-K821 PolarHBondContact O-NZ 3.28Å; K798-K821 HydrophobicContact CB-CB 4.23Å; K798-K821 HydrophobicContact CB-CD 4.37Å; K798-K821 HydrophobicContact CG-CB 4.42Å; K821-D823 VanDerWaalsContact CE-OD1 3.25Å; K821-D823 WeakPolarHBondContact CE-OD1 3.36Å; K821-D823 WeakPolarHBondContact CE-OD2 3.4Å; K821-D823 IonicContact NZ-OD1 2.65Å; K821-D823 PolarHBondContact NZ-OD1 3.07Å; K821-D823 IonicContact NZ-OD2 2.89Å; K821-D823 PolarHBondContact NZ-OD2 2.93Å; K821-D823 VanDerWaalsContact NZ-OD2 3.15Å
822	L	95.7	Very high	94.9	Very high	16 Å²	16	39.1 Å²	39.1	8%	0.084	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	145.3	170.3	-58.7	-178.5	0	0	0	109.3	F442 K443 F795 T796	F442-L822 HydrophobicContact CD2-CD2 3.78Å; F442-L822 HydrophobicContact CE2-CD2 3.78Å; K443-L822 WeakPolarHBondContact O-CA 3.27Å; F795-L822 HydrophobicContact CE1-CB 4.25Å; F795-L822 HydrophobicContact CE1-CD1 4.03Å; F795-L822 HydrophobicContact CE2-CD1 3.98Å; F795-L822 HydrophobicContact CZ-CD1 3.53Å; T796-L822 WeakPolarHBondContact CA-O 3.46Å; T796-L822 WeakPolarHBondContact CB-O 3.41Å
823	D	95.8	Very high	95.1	Very high	26 Å²	26	37.4 Å²	37.4	14%	0.139	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	137.6	173.2	-71.4	-75.6	0	0	0	109	F442 K443 K821 I866	F442-D823 CarbonylContact C-O 3.44Å; F442-D823 VanDerWaalsContact CA-O 3.31Å; F442-D823 WeakPolarHBondContact CA-O 3.45Å; F442-D823 WeakPolarHBondContact CB-O 3.28Å; K443-D823 HydrophobicContact CB-CB 4.23Å; K443-D823 PolarHBondContact N-O 2.74Å; K443-D823 PolarHBondContact O-N 3.45Å; K821-D823 VanDerWaalsContact CE-OD1 3.25Å; K821-D823 WeakPolarHBondContact CE-OD1 3.36Å; K821-D823 WeakPolarHBondContact CE-OD2 3.4Å; K821-D823 IonicContact NZ-OD1 2.65Å; K821-D823 PolarHBondContact NZ-OD1 3.07Å; K821-D823 IonicContact NZ-OD2 2.89Å; K821-D823 PolarHBondContact NZ-OD2 2.93Å; K821-D823 VanDerWaalsContact NZ-OD2 3.15Å; D823-I866 HydrophobicContact CB-CD1 3.58Å; D823-I866 HydrophobicContact CB-CG1 3.9Å; D823-I866 HydrophobicContact CB-CG2 3.9Å
824	L	95.5	Very high	95.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	124.5	-178.1	-58.9	171.2	0	0	0	109.5	F461 L464 I792 F795 T796 L827 M861 F864 L865 I866	F461-L824 HydrophobicContact CE1-CD2 4.49Å; L464-L824 HydrophobicContact CD1-CD1 4.41Å; L464-L824 HydrophobicContact CD1-CD2 4.14Å; L464-L824 HydrophobicContact CD2-CD2 3.99Å; I792-L824 HydrophobicContact CG2-CD1 4.2Å; F795-L824 HydrophobicContact CE1-CD2 4.25Å; T796-L824 HydrophobicContact CG2-CG 4.44Å; L824-L827 HydrophobicContact CB-CD2 4.2Å; L824-L827 HydrophobicContact CD1-CD2 4.2Å; L824-L827 HydrophobicContact CD2-CD2 4.21Å; L824-L827 HydrophobicContact CG-CD2 4.43Å; L824-M861 HydrophobicContact CD1-CE 3.96Å; L824-F864 HydrophobicContact CD1-CB 4.01Å; L824-L865 HydrophobicContact CB-CD2 4.16Å; L824-L865 WeakPolarHBondContact O-CA 3.27Å; L824-L865 WeakPolarHBondContact O-CD2 3.25Å; L824-I866 WeakPolarHBondContact O-CG1 3.49Å; L824-I866 PolarHBondContact O-N 2.88Å
825	W	94.6	Very high	95.4	Very high	21 Å²	21	25 Å²	25	8%	0.08	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-41.3	-177.3	179.8	-89.2	0	0	0	113	D415 K416 A419 L441 F458 I866 N867	D415-W825 HydrophobicContact CB-CH2 3.96Å; D415-W825 HydrophobicContact CB-CZ3 3.74Å; K416-W825 HydrophobicContact CB-CH2 4.16Å; K416-W825 HydrophobicContact CB-CZ2 4.1Å; K416-W825 HydrophobicContact CG-CZ2 4.49Å; A419-W825 HydrophobicContact CB-CD2 4.08Å; A419-W825 HydrophobicContact CB-CG 4.25Å; A419-W825 HydrophobicContact CB-CZ2 4.02Å; A419-W825 VanDerWaalsContact CB-NE1 3.33Å; L441-W825 HydrophobicContact CD2-CG 4.46Å; L441-W825 WeakPolarHBondContact O-CB 3.46Å; L441-W825 PolarHBondContact O-N 3.03Å; F458-W825 HydrophobicContact CD1-CB 4.2Å; F458-W825 HydrophobicContact CD1-CD2 4.35Å; F458-W825 HydrophobicContact CD1-CG 4.07Å; F458-W825 HydrophobicContact CE1-CB 4.02Å; F458-W825 AromaticContact CE1-CD2 3.61Å; F458-W825 HydrophobicContact CE1-CD2 3.61Å; F458-W825 AromaticContact CE1-CE3 3.64Å; F458-W825 HydrophobicContact CE1-CE3 3.64Å; F458-W825 AromaticContact CE1-CG 3.75Å; F458-W825 HydrophobicContact CE1-CG 3.75Å; F458-W825 HydrophobicContact CE1-CZ3 4.41Å; F458-W825 HydrophobicContact CZ-CD2 4.44Å; F458-W825 HydrophobicContact CZ-CE3 4.15Å; W825-I866 HydrophobicContact CE3-CD1 3.83Å; W825-I866 HydrophobicContact CE3-CG1 3.89Å; W825-I866 HydrophobicContact CZ3-CD1 4.34Å; W825-I866 HydrophobicContact CZ3-CG1 4.49Å; W825-N867 HydrophobicContact CD2-CB 3.85Å; W825-N867 HydrophobicContact CE3-CB 3.95Å; W825-N867 HydrophobicContact CG-CB 4.44Å; W825-N867 HydrophobicContact CH2-CB 4.06Å; W825-N867 HydrophobicContact CZ2-CB 3.96Å; W825-N867 HydrophobicContact CZ3-CB 4.06Å; W825-N867 VanDerWaalsContact O-CB 3.28Å; W825-N867 WeakPolarHBondContact O-CB 3.01Å
826	S	93.3	Very high	95.3	Very high	37 Å²	37	24.6 Å²	24.6	26%	0.259	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	147.5	170.1	59.5	0	0	0	0	110.4	G440 L441	G440-S826 WeakPolarHBondContact CA-O 3.47Å; L441-S826 VanDerWaalsContact CB-OG 3.27Å; L441-S826 WeakPolarHBondContact CB-OG 3.43Å; L441-S826 PolarHBondContact N-O 3.16Å; L441-S826 PolarHBondContact N-OG 2.78Å; L441-S826 PolarHBondContact O-N 2.95Å; L441-S826 VanDerWaalsContact O-N 3.07Å
827	L	94.3	Very high	95.2	Very high	10 Å²	10	23.3 Å²	23.3	5%	0.052	12%	0.115	C	C	.	.			trans	-117.5	144.5	-178.1	-57.6	178.6	0	0	0	111.2	F461 L824 M861 L865 Y875 R932	F461-L827 HydrophobicContact CZ-CD2 3.83Å; L824-L827 HydrophobicContact CB-CD2 4.2Å; L824-L827 HydrophobicContact CD1-CD2 4.2Å; L824-L827 HydrophobicContact CD2-CD2 4.21Å; L824-L827 HydrophobicContact CG-CD2 4.43Å; L827-M861 HydrophobicContact CD1-CB 3.45Å; L827-M861 VanDerWaalsContact CD1-CB 3.45Å; L827-M861 HydrophobicContact CD1-CE 3.95Å; L827-M861 HydrophobicContact CD1-CG 3.96Å; L827-L865 HydrophobicContact CD1-CD1 4.17Å; L827-L865 HydrophobicContact CD1-CD2 4.47Å; L827-L865 HydrophobicContact CD1-CG 4.28Å; L827-L865 HydrophobicContact CG-CD1 4.36Å; L827-L865 HydrophobicContact CG-CD2 4.03Å; L827-L865 HydrophobicContact CG-CG 4.38Å; L827-Y875 HydrophobicContact CB-CE2 4.49Å; L827-Y875 WeakPolarHBondContact CB-OH 3.09Å; L827-Y875 HydrophobicContact CD1-CE2 4.14Å; L827-R932 PolarHBondContact O-NH1 3.41Å
828	P	94.8	Very high	94.8	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.013	10%	0.102	C	C	.	.			trans	-73	161.4	-175.7	31.2	-38.6	0	0	0	113.7	F438 V830 L831 Y875	F438-P828 VanDerWaalsContact O-CB 3.28Å; F438-P828 WeakPolarHBondContact O-CB 3.25Å; F438-P828 WeakPolarHBondContact O-CG 3.4Å; P828-V830 VanDerWaalsContact CG-O 3.25Å; P828-V830 WeakPolarHBondContact CG-O 3.48Å; P828-V830 PolarHBondContact O-N 3.31Å; P828-L831 HydrophobicContact CG-CB 4.21Å; P828-L831 HydrophobicContact CG-CD1 4.13Å; P828-Y875 WeakPolarHBondContact O-CE1 3.23Å; P828-Y875 PolarHBondContact O-OH 2.88Å
829	P	94.3	Very high	93.6	Very high	23 Å²	23	22.5 Å²	22.5	15%	0.149	12%	0.115	C	C	.	.	S	Bend	trans	-49.7	-39.7	165.9	-34.1	41.5	0	0	0	114.5	D436 I437 R932 T935	D436-P829 WeakPolarHBondContact O-CG 3.3Å; I437-P829 WeakPolarHBondContact O-CD 3.44Å; P829-R932 PolarHBondContact O-N 3.09Å; P829-T935 HydrophobicContact CB-CG2 4.04Å; P829-T935 HydrophobicContact CG-CG2 4.44Å
830	V	97	Very high	91.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	112	173.7	-178.6	0	0	0	0	109.4	T310 I437 F438 P828 I878 Y930 Q931	T310-V830 HydrophobicContact CG2-CB 4.39Å; T310-V830 HydrophobicContact CG2-CG1 4Å; T310-V830 HydrophobicContact CG2-CG2 3.89Å; I437-V830 HydrophobicContact CG2-CB 3.76Å; I437-V830 HydrophobicContact CG2-CG2 3.64Å; I437-V830 PolarHBondContact O-N 3.43Å; F438-V830 HydrophobicContact CD1-CB 4.07Å; F438-V830 HydrophobicContact CD1-CG1 4.06Å; F438-V830 HydrophobicContact CE1-CB 4.01Å; F438-V830 HydrophobicContact CE1-CG1 3.65Å; P828-V830 VanDerWaalsContact CG-O 3.25Å; P828-V830 WeakPolarHBondContact CG-O 3.48Å; P828-V830 PolarHBondContact O-N 3.31Å; V830-I878 HydrophobicContact CG1-CD1 4.28Å; V830-Y930 CarbonylContact C-O 3.53Å; V830-Y930 VanDerWaalsContact CA-O 3.25Å; V830-Y930 WeakPolarHBondContact CA-O 3.37Å; V830-Q931 HydrophobicContact CG2-CG 4.35Å
831	L	97.6	Very high	89.9	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	115.2	-179.6	179.6	63.7	0	0	0	110	F461 L464 P828 V833 M861 Y875 Y930	F461-L831 HydrophobicContact CE2-CD1 4Å; L464-L831 HydrophobicContact CD1-CD1 3.97Å; L464-L831 HydrophobicContact CG-CD1 4.09Å; P828-L831 HydrophobicContact CG-CB 4.21Å; P828-L831 HydrophobicContact CG-CD1 4.13Å; L831-V833 HydrophobicContact CD1-CG2 4.5Å; L831-V833 HydrophobicContact CD2-CG2 4.06Å; L831-V833 HydrophobicContact CG-CG2 3.78Å; L831-M861 HydrophobicContact CD2-CE 4.15Å; L831-M861 HydrophobicContact CD2-CG 4.37Å; L831-M861 HydrophobicContact CD2-SD 4.45Å; L831-Y875 HydrophobicContact CB-CD1 4.15Å; L831-Y875 HydrophobicContact CB-CE1 3.62Å; L831-Y875 HydrophobicContact CD2-CE2 4.48Å; L831-Y930 PolarHBondContact N-O 3.4Å; L831-Y930 PolarHBondContact O-N 3.46Å
832	V	98.4	Very high	87.5	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.024	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.8	172.7	-179.1	0	0	0	0	109.2	F438 Y463 L464 V927 F929	F438-V832 HydrophobicContact CD1-CG2 3.84Å; F438-V832 HydrophobicContact CE1-CG2 3.87Å; Y463-V832 CarbonylContact C-O 3.53Å; Y463-V832 WeakPolarHBondContact CA-O 3.34Å; L464-V832 PolarHBondContact N-O 3.48Å; V832-V927 HydrophobicContact CG1-CG1 3.57Å; V832-F929 HydrophobicContact CG1-CD2 4.44Å; V832-F929 HydrophobicContact CG1-CE1 4.46Å; V832-F929 HydrophobicContact CG1-CE2 4.02Å; V832-F929 HydrophobicContact CG1-CZ 4.02Å; V832-F929 HydrophobicContact CG2-CD1 3.75Å; V832-F929 HydrophobicContact CG2-CE1 3.57Å; V832-F929 HydrophobicContact CG2-CG 4.29Å; V832-F929 HydrophobicContact CG2-CZ 3.97Å
833	V	98.4	Very high	85	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.024	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	104.1	-175.6	-172.2	0	0	0	0	110.1	L464 L466 L788 L831 V927 L928 Y930	L464-V833 CarbonylContact O-C 3.58Å; L466-V833 HydrophobicContact CD1-CG1 3.38Å; L466-V833 HydrophobicContact CG-CG1 3.77Å; L788-V833 HydrophobicContact CD1-CG1 4.24Å; L831-V833 HydrophobicContact CD1-CG2 4.5Å; L831-V833 HydrophobicContact CD2-CG2 4.06Å; L831-V833 HydrophobicContact CG-CG2 3.78Å; V833-V927 WeakPolarHBondContact O-CA 3.43Å; V833-L928 HydrophobicContact CB-CB 4.32Å; V833-L928 PolarHBondContact N-O 2.8Å; V833-L928 PolarHBondContact O-N 2.75Å; V833-Y930 HydrophobicContact CG2-CD2 4.25Å
834	H	98.1	Very high	82.7	Confident	8 Å²	8	45.5 Å²	45.5	4%	0.037	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	130.3	172.4	160.8	-140.5	0	0	0	110.4	Q382 L464 T465 L466 Y926 V927	Q382-H834 HydrophobicContact CG-CB 3.99Å; Q382-H834 WeakPolarHBondContact CG-ND1 3.38Å; Q382-H834 PolarHBondContact OE1-CE1 2.97Å; Q382-H834 PolarHBondContact OE1-ND1 2.71Å; L464-H834 PolarHBondContact O-N 2.97Å; T465-H834 VanDerWaalsContact CG2-ND1 3.35Å; T465-H834 WeakPolarHBondContact CG2-ND1 3.31Å; T465-H834 PolarHBondContact OG1-ND1 3.01Å; L466-H834 PolarHBondContact N-O 2.68Å; H834-Y926 AromaticContact CD2-CE2 3.54Å; H834-Y926 AromaticContact CD2-CZ 3.72Å; H834-Y926 AromaticContact NE2-CE2 3.34Å; H834-Y926 VanDerWaalsContact NE2-CE2 3.34Å; H834-Y926 WeakPolarHBondContact NE2-CE2 3.41Å; H834-Y926 AromaticContact NE2-CZ 3.46Å; H834-Y926 PolarHBondContact NE2-OH 2.85Å; H834-Y926 VanDerWaalsContact NE2-OH 3.17Å; H834-V927 HydrophobicContact CB-CG1 4.47Å; H834-V927 HydrophobicContact CB-CG2 4.26Å
835	L	96.5	Very high	81.1	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	110.7	172.4	-59.3	176.3	0	0	0	108.8	L468 L788 R837 V852 Y926	L468-L835 HydrophobicContact CD2-CB 4.34Å; L468-L835 HydrophobicContact CD2-CD2 4.26Å; L788-L835 HydrophobicContact CD1-CD2 3.85Å; L835-R837 VanDerWaalsContact C-N 3.25Å; L835-R837 PolarHBondContact O-N 2.87Å; L835-V852 HydrophobicContact CD1-CB 4Å; L835-V852 HydrophobicContact CD1-CG1 4.17Å; L835-V852 HydrophobicContact CD1-CG2 4.04Å; L835-V852 HydrophobicContact CD2-CG1 4.24Å; L835-Y926 PolarHBondContact N-O 2.64Å; L835-Y926 WeakPolarHBondContact O-CD2 3.39Å; L835-Y926 WeakPolarHBondContact O-CE2 3.48Å
836	K	93.1	Very high	79.7	Confident	116 Å²	116	55 Å²	55	50%	0.504	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	76.7	-174.6	-165.6	177.9	-177.2	175.2	0	112	T465 L466	T465-K836 HydrophobicContact CG2-CB 3.99Å; T465-K836 HydrophobicContact CG2-CD 4.02Å; T465-K836 HydrophobicContact CG2-CG 4.19Å; L466-K836 VanDerWaalsContact O-CB 3.22Å; L466-K836 WeakPolarHBondContact O-CB 3.43Å; L466-K836 PolarHBondContact O-N 3.03Å
837	R	90	Very high	79.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	24%	0.241	C	C	.	.			trans	-79.7	-37.4	-177.4	-70.5	-172.3	-175.3	-74	1.3	112.9	L468 L835 K847 L848 T850 K923 A925 Y926	L468-R837 HydrophobicContact CD1-CG 3.81Å; L835-R837 VanDerWaalsContact C-N 3.25Å; L835-R837 PolarHBondContact O-N 2.87Å; R837-K847 HydrophobicContact CB-CG 4.31Å; R837-K847 WeakPolarHBondContact O-CA 3.23Å; R837-L848 PolarHBondContact NH1-O 2.94Å; R837-L848 PolarHBondContact O-N 2.95Å; R837-T850 PolarHBondContact NH1-O 2.69Å; R837-K923 PolarHBondContact NE-O 3.36Å; R837-K923 PolarHBondContact NH2-O 3.47Å; R837-A925 VanDerWaalsContact CZ-O 3.23Å; R837-A925 PolarHBondContact NE-O 2.91Å; R837-A925 PolarHBondContact NH2-O 2.75Å; R837-Y926 HydrophobicContact CB-CD2 4.24Å; R837-Y926 HydrophobicContact CB-CE2 4.26Å; R837-Y926 HydrophobicContact CG-CD2 4.19Å
838	F	84.3	Confident	78.5	Confident	14 Å²	14	55.1 Å²	55.1	6%	0.061	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	136.3	-177.1	-62	-57.8	0	0	0	111.9	K847 H883 M887 Y926	F838-K847 HydrophobicContact CD1-CB 4.12Å; F838-K847 HydrophobicContact CD1-CG 4.03Å; F838-K847 HydrophobicContact CE1-CB 4.22Å; F838-K847 HydrophobicContact CE1-CD 4.07Å; F838-K847 HydrophobicContact CE1-CG 3.86Å; F838-H883 AromaticContact CZ-CE1 3.74Å; F838-H883 AromaticContact CZ-ND1 3.57Å; F838-M887 HydrophobicContact CB-CE 3.86Å; F838-M887 HydrophobicContact CB-SD 3.94Å; F838-M887 HydrophobicContact CD1-CB 4.12Å; F838-M887 HydrophobicContact CD1-CE 4.1Å; F838-M887 HydrophobicContact CD1-CG 4.48Å; F838-M887 HydrophobicContact CD1-SD 3.78Å; F838-M887 HydrophobicContact CD2-SD 4.15Å; F838-M887 HydrophobicContact CE1-CB 4.07Å; F838-M887 HydrophobicContact CE1-SD 4.3Å; F838-M887 HydrophobicContact CG-CE 4.14Å; F838-M887 HydrophobicContact CG-SD 3.7Å; F838-Y926 HydrophobicContact CD2-CE2 4.05Å; F838-Y926 AromaticContact CD2-CZ 3.86Å; F838-Y926 WeakPolarHBondContact CD2-OH 3.42Å; F838-Y926 HydrophobicContact CE2-CE1 4.22Å; F838-Y926 HydrophobicContact CE2-CE2 4.01Å; F838-Y926 AromaticContact CE2-CZ 3.7Å
839	S	69.6	Low	78	Confident	39 Å²	39	58.9 Å²	58.9	27%	0.273	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	116.1	174.6	-179.1	0	0	0	0	110.2	D846	S839-D846 PolarHBondContact N-O 3.03Å; S839-D846 PolarHBondContact O-N 3.07Å
840	Y	59.1	Low	77.7	Confident	140 Å²	140	59.8 Å²	59.8	55%	0.549	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	116.7	175.7	-60.3	-91.5	0	0	0	110.2	M887	Y840-M887 HydrophobicContact CD1-CE 3.71Å; Y840-M887 HydrophobicContact CD2-CE 4.41Å; Y840-M887 HydrophobicContact CE1-CE 3.32Å; Y840-M887 HydrophobicContact CE1-SD 3.73Å; Y840-M887 HydrophobicContact CE2-CE 4.07Å; Y840-M887 HydrophobicContact CE2-SD 4.38Å; Y840-M887 HydrophobicContact CG-CE 4.25Å; Y840-M887 VanDerWaalsContact CZ-SD 3.56Å; Y840-M887 PolarHBondContact OH-SD 2.89Å
841	S	52.7	Low	77.4	Confident	63 Å²	63	62.2 Å²	62.2	44%	0.441	28%	0.282	S	S	.	.			trans	-113.2	165.2	160.3	75.7	0	0	0	0	109.4	Y843 M844	S841-Y843 PolarHBondContact O-N 3.01Å; S841-Y843 VanDerWaalsContact O-N 3.11Å; S841-M844 PolarHBondContact N-O 2.83Å; S841-M844 WeakPolarHBondContact OG-CA 3.42Å; S841-M844 PolarHBondContact OG-N 3.33Å; S841-M844 PolarHBondContact OG-O 2.9Å
842	R	44.7	Very low	77.3	Confident	228 Å²	228	62.2 Å²	62.2	86%	0.86	28%	0.282	S	S	*	.	S	Bend	trans	-62.1	-18.5	-179	-69.3	-173.4	-179.1	-178.8	1.3	114.2
843	Y	43.2	Very low	77.1	Confident	181 Å²	181	64.8 Å²	64.8	71%	0.71	30%	0.295	S	S	*	.	S	Bend	trans	-126.3	-19.9	-172.7	-52.1	-67.5	0	0	0	114.1	S841	S841-Y843 PolarHBondContact O-N 3.01Å; S841-Y843 VanDerWaalsContact O-N 3.11Å
844	M	46.7	Very low	77.1	Confident	66 Å²	66	64.7 Å²	64.7	33%	0.325	29%	0.294	S	S	.	.			trans	-137.3	140.9	176	-77	-164	163.2	0	0	112.6	M544 S841	M544-M844 HydrophobicContact CB-CE 4.23Å; M544-M844 HydrophobicContact CE-CE 4.49Å; M544-M844 HydrophobicContact CG-CE 3.9Å; S841-M844 PolarHBondContact N-O 2.83Å; S841-M844 WeakPolarHBondContact OG-CA 3.42Å; S841-M844 PolarHBondContact OG-N 3.33Å; S841-M844 PolarHBondContact OG-O 2.9Å
845	R	62.1	Low	77	Confident	166 Å²	166	66.7 Å²	66.7	63%	0.626	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	99.8	166.9	-64.5	179.9	-175.5	-174.4	0.5	108.1	M887	R845-M887 HydrophobicContact CB-CB 4.28Å; R845-M887 HydrophobicContact CB-CE 3.79Å; R845-M887 HydrophobicContact CG-CE 4.02Å; R845-M887 PolarHBondContact NH1-O 3.48Å; R845-M887 VanDerWaalsContact NH1-O 3.07Å
846	D	66.4	Low	77	Confident	54 Å²	54	67.8 Å²	67.8	29%	0.289	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	149.5	-177.3	-170.4	4.1	0	0	0	110.5	K498 S839	K498-D846 IonicContact NZ-OD2 2.67Å; K498-D846 PolarHBondContact NZ-OD2 2.94Å; S839-D846 PolarHBondContact N-O 3.03Å; S839-D846 PolarHBondContact O-N 3.07Å
847	K	80.4	Confident	77.1	Confident	28 Å²	28	65.1 Å²	65.1	12%	0.122	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	119.4	175.7	-176.6	-163.8	173.1	-153.1	0	109.6	R837 F838 D849 H883 G885	R837-K847 HydrophobicContact CB-CG 4.31Å; R837-K847 WeakPolarHBondContact O-CA 3.23Å; F838-K847 HydrophobicContact CD1-CB 4.12Å; F838-K847 HydrophobicContact CD1-CG 4.03Å; F838-K847 HydrophobicContact CE1-CB 4.22Å; F838-K847 HydrophobicContact CE1-CD 4.07Å; F838-K847 HydrophobicContact CE1-CG 3.86Å; K847-D849 WeakPolarHBondContact CD-OD1 3.45Å; K847-D849 WeakPolarHBondContact CE-OD1 3.36Å; K847-D849 IonicContact NZ-OD1 2.79Å; K847-D849 PolarHBondContact NZ-OD1 3Å; K847-D849 PolarHBondContact O-N 3.03Å; K847-H883 PolarHBondContact NZ-O 2.8Å; K847-G885 WeakPolarHBondContact CD-O 3.46Å; K847-G885 WeakPolarHBondContact CE-O 3.08Å; K847-G885 PolarHBondContact NZ-O 2.96Å
848	L	81.8	Confident	77.3	Confident	21 Å²	21	70 Å²	70	11%	0.11	33%	0.331	C	S	.	.			trans	-77.6	88.9	178.5	-58.5	176	0	0	0	111.1	L468 M470 R837 T850	L468-L848 HydrophobicContact CB-CD1 3.93Å; L468-L848 HydrophobicContact CD1-CB 4.03Å; L468-L848 HydrophobicContact CD1-CD1 4.39Å; M470-L848 HydrophobicContact CG-CD1 4.12Å; R837-L848 PolarHBondContact NH1-O 2.94Å; R837-L848 PolarHBondContact O-N 2.95Å; L848-T850 PolarHBondContact O-N 2.85Å
849	D	84.5	Confident	77.8	Confident	81 Å²	81	69.4 Å²	69.4	43%	0.433	33%	0.329	S	S	.	.			trans	-75	33.3	170.8	-72.8	-34.4	0	0	0	113.4	K847 L851 K923	K847-D849 WeakPolarHBondContact CD-OD1 3.45Å; K847-D849 WeakPolarHBondContact CE-OD1 3.36Å; K847-D849 IonicContact NZ-OD1 2.79Å; K847-D849 PolarHBondContact NZ-OD1 3Å; K847-D849 PolarHBondContact O-N 3.03Å; D849-L851 PolarHBondContact O-N 3.37Å; D849-K923 WeakPolarHBondContact O-CD 3.07Å
850	T	87	Confident	79	Confident	42 Å²	42	70.1 Å²	70.1	26%	0.258	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-64.4	128.9	169.5	-60.8	0	0	0	0	109.2	V786 R837 L848 V852	V786-T850 HydrophobicContact CB-CG2 4.19Å; V786-T850 HydrophobicContact CG2-CG2 3.76Å; R837-T850 PolarHBondContact NH1-O 2.69Å; L848-T850 PolarHBondContact O-N 2.85Å; T850-V852 PolarHBondContact O-N 3.5Å
851	L	91.6	Very high	80.7	Confident	51 Å²	51	63.6 Å²	63.6	27%	0.267	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	121.9	169.8	-179.9	59.8	0	0	0	108.4	F785 V786 D849 K923	F785-L851 CarbonylContact C-O 3.52Å; F785-L851 WeakPolarHBondContact CA-O 3.38Å; F785-L851 HydrophobicContact CB-CB 4.08Å; F785-L851 HydrophobicContact CB-CD2 4.16Å; F785-L851 HydrophobicContact CB-CG 4.05Å; F785-L851 WeakPolarHBondContact CB-O 3.3Å; V786-L851 PolarHBondContact N-O 3.45Å; D849-L851 PolarHBondContact O-N 3.37Å; L851-K923 HydrophobicContact CB-CG 4.07Å; L851-K923 HydrophobicContact CD1-CG 4.32Å
852	V	94.7	Very high	82.5	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	120.6	172.4	-179.8	0	0	0	0	106.9	L468 V786 L788 L835 T850 F854	L468-V852 HydrophobicContact CD1-CG2 4.49Å; L468-V852 HydrophobicContact CD2-CG2 3.75Å; V786-V852 CarbonylContact O-C 3.59Å; V786-V852 VanDerWaalsContact O-CA 3.29Å; V786-V852 WeakPolarHBondContact O-CA 3.48Å; L788-V852 HydrophobicContact CB-CG1 4.43Å; L788-V852 HydrophobicContact CD1-CG1 4.37Å; L835-V852 HydrophobicContact CD1-CB 4Å; L835-V852 HydrophobicContact CD1-CG1 4.17Å; L835-V852 HydrophobicContact CD1-CG2 4.04Å; L835-V852 HydrophobicContact CD2-CG1 4.24Å; T850-V852 PolarHBondContact O-N 3.5Å; V852-F854 HydrophobicContact CG1-CD1 4.48Å; V852-F854 VanDerWaalsContact O-CD1 3.23Å; V852-F854 WeakPolarHBondContact O-CD1 3.39Å
853	D	95.3	Very high	84.6	Confident	58 Å²	58	56.6 Å²	56.6	31%	0.31	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	107.4	175.2	173.5	31.5	0	0	0	108.1	F785 V786 K787 L788	F785-D853 HydrophobicContact CD2-CB 3.6Å; F785-D853 HydrophobicContact CE2-CB 4.19Å; F785-D853 HydrophobicContact CG-CB 4.35Å; V786-D853 PolarHBondContact O-N 2.78Å; K787-D853 CarbonylContact C-O 3.57Å; K787-D853 WeakPolarHBondContact CA-O 3.36Å; K787-D853 VanDerWaalsContact CE-OD2 3.31Å; K787-D853 WeakPolarHBondContact CE-OD2 3.4Å; K787-D853 HydrophobicContact CG-CB 4.28Å; L788-D853 PolarHBondContact N-O 2.72Å
854	F	96.8	Very high	86.9	Confident	2 Å²	2	49 Å²	49	1%	0.009	25%	0.249	C	C	.	.			trans	-127	134	-178.8	59.7	-94.6	0	0	0	110.7	L788 V852 L877 V880 I920 V921 A925 L928	L788-F854 HydrophobicContact CB-CB 4.01Å; L788-F854 HydrophobicContact CD2-CB 3.94Å; L788-F854 HydrophobicContact CG-CB 4.45Å; V852-F854 HydrophobicContact CG1-CD1 4.48Å; V852-F854 VanDerWaalsContact O-CD1 3.23Å; V852-F854 WeakPolarHBondContact O-CD1 3.39Å; F854-L877 HydrophobicContact CD2-CD2 4.23Å; F854-L877 HydrophobicContact CE2-CD2 3.8Å; F854-V880 HydrophobicContact CE2-CG2 4.23Å; F854-V880 HydrophobicContact CZ-CG2 4.42Å; F854-I920 HydrophobicContact CE2-CG2 4.17Å; F854-I920 HydrophobicContact CZ-CG2 4.37Å; F854-V921 HydrophobicContact CD1-CG1 4.29Å; F854-V921 HydrophobicContact CD2-CG2 4.26Å; F854-V921 HydrophobicContact CE1-CB 4.5Å; F854-V921 HydrophobicContact CE1-CG1 4.18Å; F854-V921 HydrophobicContact CE2-CG2 4Å; F854-V921 HydrophobicContact CZ-CB 4.37Å; F854-V921 HydrophobicContact CZ-CG2 4.18Å; F854-V921 WeakPolarHBondContact O-CG2 3.44Å; F854-A925 HydrophobicContact CE1-CB 3.51Å; F854-A925 HydrophobicContact CZ-CB 3.64Å; F854-L928 HydrophobicContact CB-CD1 3.92Å; F854-L928 HydrophobicContact CD1-CD1 4.05Å; F854-L928 HydrophobicContact CD1-CD2 4.22Å; F854-L928 HydrophobicContact CD2-CD1 4Å; F854-L928 HydrophobicContact CD2-CD2 4.08Å; F854-L928 HydrophobicContact CE1-CD2 3.95Å; F854-L928 HydrophobicContact CE2-CD2 3.79Å; F854-L928 HydrophobicContact CG-CD1 3.73Å; F854-L928 HydrophobicContact CG-CD2 4.29Å; F854-L928 HydrophobicContact CZ-CD2 3.71Å
855	P	96.4	Very high	89	Confident	51 Å²	51	46.9 Å²	46.9	33%	0.331	24%	0.239	S	C	.	.			trans	-76.6	137.4	-176.5	31.6	-35.4	0	0	0	111.6	L859 Y930	P855-L859 HydrophobicContact CG-CB 3.86Å; P855-L859 HydrophobicContact CG-CD1 3.78Å; P855-L859 HydrophobicContact CG-CG 4.35Å; P855-Y930 WeakPolarHBondContact O-CE1 3.2Å; P855-Y930 PolarHBondContact O-OH 2.9Å
856	I	96.6	Very high	90.5	Very high	23 Å²	23	41.9 Å²	41.9	12%	0.118	22%	0.224	C	C	.	.	S	Bend	trans	-78.5	-31.4	179.5	-60	171.6	0	0	0	111.3	L877 W904 E917 I920 V921	I856-L877 HydrophobicContact CG1-CD2 4.23Å; I856-L877 HydrophobicContact CG2-CB 4.31Å; I856-L877 HydrophobicContact CG2-CD2 4.34Å; I856-L877 WeakPolarHBondContact O-CB 3.34Å; I856-L877 PolarHBondContact O-N 3.15Å; I856-W904 HydrophobicContact CG2-CZ2 3.92Å; I856-E917 HydrophobicContact CD1-CB 3.73Å; I856-E917 HydrophobicContact CD1-CG 4.39Å; I856-E917 WeakPolarHBondContact CD1-O 3.49Å; I856-E917 HydrophobicContact CG2-CG 4.31Å; I856-I920 HydrophobicContact CD1-CB 4.34Å; I856-I920 HydrophobicContact CD1-CD1 4.36Å; I856-V921 HydrophobicContact CD1-CG2 4.09Å; I856-V921 HydrophobicContact CG1-CG2 4.06Å
857	N	95	Very high	91.4	Very high	59 Å²	59	40.6 Å²	40.6	32%	0.316	22%	0.217	S	C	.	.	S	Bend	trans	-131.4	156.4	176.8	-52.5	-78.5	0	0	0	109	L859 N876 E917	N857-L859 PolarHBondContact O-N 2.95Å; N857-N876 WeakPolarHBondContact CA-OD1 3.38Å; N857-E917 PolarHBondContact ND2-OE2 2.82Å
858	D	94.6	Very high	91	Very high	103 Å²	103	44.9 Å²	44.9	55%	0.551	25%	0.248	S	C	*	.			trans	57.9	40.2	174	-53.1	-56.1	0	0	0	115.1	D860 Y875 N876 Q933	D858-D860 PolarHBondContact O-N 2.72Å; D858-Y875 PolarHBondContact N-O 3.28Å; D858-N876 PolarHBondContact N-OD1 2.81Å; D858-Q933 PolarHBondContact OD1-NE2 2.74Å
859	L	95.7	Very high	90.8	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	97.4	166.7	176	58.8	0	0	0	109.5	L788 P855 N857 M861 Y875 Y930	L788-L859 HydrophobicContact CD2-CD1 4.35Å; L788-L859 HydrophobicContact CD2-CD2 3.97Å; P855-L859 HydrophobicContact CG-CB 3.86Å; P855-L859 HydrophobicContact CG-CD1 3.78Å; P855-L859 HydrophobicContact CG-CG 4.35Å; N857-L859 PolarHBondContact O-N 2.95Å; L859-M861 HydrophobicContact CD1-SD 4.25Å; L859-M861 HydrophobicContact CD2-CG 4.39Å; L859-M861 HydrophobicContact CD2-SD 4.09Å; L859-M861 HydrophobicContact CG-CG 4.14Å; L859-M861 HydrophobicContact CG-SD 4.1Å; L859-M861 PolarHBondContact O-N 3.43Å; L859-Y875 PolarHBondContact N-O 3.17Å; L859-Y875 PolarHBondContact O-N 2.85Å; L859-Y930 HydrophobicContact CB-CD1 4.25Å; L859-Y930 HydrophobicContact CB-CE1 3.9Å; L859-Y930 HydrophobicContact CD2-CD1 3.84Å; L859-Y930 HydrophobicContact CD2-CD2 4.05Å; L859-Y930 HydrophobicContact CD2-CE1 3.59Å; L859-Y930 HydrophobicContact CD2-CE2 3.79Å; L859-Y930 HydrophobicContact CD2-CG 4.06Å; L859-Y930 HydrophobicContact CG-CE1 4.38Å
860	D	94.4	Very high	90.3	Very high	54 Å²	54	47.6 Å²	47.6	29%	0.289	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	114	171.1	-171.8	12.2	0	0	0	111.3	D858 S862 L874	D858-D860 PolarHBondContact O-N 2.72Å; D860-S862 WeakPolarHBondContact OD1-CB 3.48Å; D860-S862 PolarHBondContact OD1-N 3.28Å; D860-S862 PolarHBondContact OD1-OG 2.79Å; D860-L874 HydrophobicContact CB-CD2 3.66Å
861	M	93.8	Very high	89.6	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.015	28%	0.278	C	S	.	.			trans	-98.2	-3.3	174.2	-67.5	-66.2	-63.2	0	0	113.2	I792 L824 L827 L831 L859 E863 F864 C873 Y875	I792-M861 HydrophobicContact CD1-CE 3.93Å; I792-M861 HydrophobicContact CD1-SD 3.72Å; I792-M861 HydrophobicContact CG2-CE 4.47Å; L824-M861 HydrophobicContact CD1-CE 3.96Å; L827-M861 HydrophobicContact CD1-CB 3.45Å; L827-M861 VanDerWaalsContact CD1-CB 3.45Å; L827-M861 HydrophobicContact CD1-CE 3.95Å; L827-M861 HydrophobicContact CD1-CG 3.96Å; L831-M861 HydrophobicContact CD2-CE 4.15Å; L831-M861 HydrophobicContact CD2-CG 4.37Å; L831-M861 HydrophobicContact CD2-SD 4.45Å; L859-M861 HydrophobicContact CD1-SD 4.25Å; L859-M861 HydrophobicContact CD2-CG 4.39Å; L859-M861 HydrophobicContact CD2-SD 4.09Å; L859-M861 HydrophobicContact CG-CG 4.14Å; L859-M861 HydrophobicContact CG-SD 4.1Å; L859-M861 PolarHBondContact O-N 3.43Å; M861-E863 VanDerWaalsContact C-N 3.26Å; M861-E863 PolarHBondContact O-N 3.15Å; M861-F864 HydrophobicContact CE-CD2 4.08Å; M861-F864 PolarHBondContact O-N 2.87Å; M861-F864 VanDerWaalsContact O-N 3.11Å; M861-F864 HydrophobicContact SD-CD2 4.12Å; M861-F864 HydrophobicContact SD-CE2 4.44Å; M861-C873 HydrophobicContact CB-CB 4.28Å; M861-C873 PolarHBondContact N-O 2.91Å; M861-Y875 HydrophobicContact CB-CD2 4.33Å; M861-Y875 HydrophobicContact CB-CE2 4.21Å; M861-Y875 HydrophobicContact CG-CD2 3.77Å; M861-Y875 HydrophobicContact CG-CE2 3.92Å
862	S	90.3	Very high	89.2	Confident	36 Å²	36	50.4 Å²	50.4	25%	0.252	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-62.4	-31.9	-171.8	-44.2	0	0	0	0	112.9	D860 F864 L865 P872 C873	D860-S862 WeakPolarHBondContact OD1-CB 3.48Å; D860-S862 PolarHBondContact OD1-N 3.28Å; D860-S862 PolarHBondContact OD1-OG 2.79Å; S862-F864 PolarHBondContact O-N 3.48Å; S862-L865 PolarHBondContact O-N 3.36Å; S862-P872 WeakPolarHBondContact OG-CA 3.47Å; S862-C873 PolarHBondContact OG-N 3.43Å
863	E	89.4	Confident	88.8	Confident	107 Å²	107	50.8 Å²	50.8	50%	0.5	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-67.9	-19.7	178.2	68.8	-171.1	-164.7	0	0	114	K789 M861	K789-E863 WeakPolarHBondContact CD-OE1 3.38Å; K789-E863 WeakPolarHBondContact CE-OE1 3.48Å; K789-E863 IonicContact NZ-OE1 2.71Å; K789-E863 PolarHBondContact NZ-OE1 3.38Å; K789-E863 IonicContact NZ-OE2 2.74Å; K789-E863 PolarHBondContact NZ-OE2 2.94Å; M861-E863 VanDerWaalsContact C-N 3.26Å; M861-E863 PolarHBondContact O-N 3.15Å
864	F	91.5	Very high	88.8	Confident	21 Å²	21	50.7 Å²	50.7	9%	0.092	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-96.5	-4.9	178.8	-53.1	-65.5	0	0	0	113.5	K789 I792 E793 L824 M861 S862	K789-F864 HydrophobicContact CB-CZ 3.91Å; K789-F864 HydrophobicContact CD-CZ 4.3Å; K789-F864 HydrophobicContact CG-CE2 4.16Å; K789-F864 HydrophobicContact CG-CZ 3.87Å; I792-F864 HydrophobicContact CB-CD1 4.38Å; I792-F864 HydrophobicContact CB-CD2 4.46Å; I792-F864 HydrophobicContact CB-CE1 4.21Å; I792-F864 HydrophobicContact CB-CE2 4.29Å; I792-F864 HydrophobicContact CB-CZ 4.16Å; I792-F864 HydrophobicContact CD1-CD2 4.23Å; I792-F864 HydrophobicContact CD1-CE2 3.86Å; I792-F864 HydrophobicContact CD1-CZ 4.37Å; I792-F864 HydrophobicContact CG2-CB 4.08Å; I792-F864 HydrophobicContact CG2-CD1 3.64Å; I792-F864 HydrophobicContact CG2-CD2 3.77Å; I792-F864 HydrophobicContact CG2-CE1 3.97Å; I792-F864 HydrophobicContact CG2-CE2 4.09Å; I792-F864 HydrophobicContact CG2-CG 3.54Å; I792-F864 HydrophobicContact CG2-CZ 4.18Å; E793-F864 HydrophobicContact CG-CE1 3.96Å; L824-F864 HydrophobicContact CD1-CB 4.01Å; M861-F864 HydrophobicContact CE-CD2 4.08Å; M861-F864 PolarHBondContact O-N 2.87Å; M861-F864 VanDerWaalsContact O-N 3.11Å; M861-F864 HydrophobicContact SD-CD2 4.12Å; M861-F864 HydrophobicContact SD-CE2 4.44Å; S862-F864 PolarHBondContact O-N 3.48Å
865	L	91.6	Very high	88.7	Confident	22 Å²	22	50.6 Å²	50.6	12%	0.115	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-89.2	117.9	-177.9	-84.5	170	0	0	0	111.3	L824 L827 S862 N867 A870 C873	L824-L865 HydrophobicContact CB-CD2 4.16Å; L824-L865 WeakPolarHBondContact O-CA 3.27Å; L824-L865 WeakPolarHBondContact O-CD2 3.25Å; L827-L865 HydrophobicContact CD1-CD1 4.17Å; L827-L865 HydrophobicContact CD1-CD2 4.47Å; L827-L865 HydrophobicContact CD1-CG 4.28Å; L827-L865 HydrophobicContact CG-CD1 4.36Å; L827-L865 HydrophobicContact CG-CD2 4.03Å; L827-L865 HydrophobicContact CG-CG 4.38Å; S862-L865 PolarHBondContact O-N 3.36Å; L865-N867 VanDerWaalsContact C-N 3.29Å; L865-N867 PolarHBondContact O-N 3.01Å; L865-A870 HydrophobicContact CD1-CB 3.91Å; L865-C873 HydrophobicContact CD1-CB 3.95Å; L865-C873 WeakPolarHBondContact CD1-SG 3.49Å
866	I	91.9	Very high	88.7	Confident	62 Å²	62	50.4 Å²	50.4	32%	0.318	30%	0.296	S	S	.	.			trans	-80.8	-6	178.2	59.2	153.7	0	0	0	113.9	K443 D823 L824 W825 P868	K443-I866 HydrophobicContact CB-CD1 4.05Å; K443-I866 HydrophobicContact CD-CD1 3.59Å; K443-I866 HydrophobicContact CG-CD1 4.48Å; D823-I866 HydrophobicContact CB-CD1 3.58Å; D823-I866 HydrophobicContact CB-CG1 3.9Å; D823-I866 HydrophobicContact CB-CG2 3.9Å; L824-I866 WeakPolarHBondContact O-CG1 3.49Å; L824-I866 PolarHBondContact O-N 2.88Å; W825-I866 HydrophobicContact CE3-CD1 3.83Å; W825-I866 HydrophobicContact CE3-CG1 3.89Å; W825-I866 HydrophobicContact CZ3-CD1 4.34Å; W825-I866 HydrophobicContact CZ3-CG1 4.49Å; I866-P868 WeakPolarHBondContact O-CD 3.47Å
867	N	86.1	Confident	88.8	Confident	26 Å²	26	49.3 Å²	49.3	14%	0.139	29%	0.29	C	S	.	.			trans	-87.6	110.7	177.4	175.7	4.8	0	0	0	110.5	W825 L865 N869 A870	W825-N867 HydrophobicContact CD2-CB 3.85Å; W825-N867 HydrophobicContact CE3-CB 3.95Å; W825-N867 HydrophobicContact CG-CB 4.44Å; W825-N867 HydrophobicContact CH2-CB 4.06Å; W825-N867 HydrophobicContact CZ2-CB 3.96Å; W825-N867 HydrophobicContact CZ3-CB 4.06Å; W825-N867 VanDerWaalsContact O-CB 3.28Å; W825-N867 WeakPolarHBondContact O-CB 3.01Å; L865-N867 VanDerWaalsContact C-N 3.29Å; L865-N867 PolarHBondContact O-N 3.01Å; N867-N869 PolarHBondContact O-N 2.78Å; N867-N869 PolarHBondContact OD1-N 2.83Å; N867-N869 VanDerWaalsContact OD1-N 3.08Å; N867-N869 PolarHBondContact OD1-ND2 3.05Å; N867-A870 HydrophobicContact CB-CB 4.25Å; N867-A870 WeakPolarHBondContact O-CB 3.13Å; N867-A870 PolarHBondContact O-N 2.88Å
868	P	73	Confident	89	Confident	119 Å²	119	47.3 Å²	47.3	77%	0.773	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-6.3	-175	29.2	-36.2	0	0	0	114.4	I866	I866-P868 WeakPolarHBondContact O-CD 3.47Å
869	N	75.8	Confident	89.2	Confident	118 Å²	118	42.4 Å²	42.4	63%	0.631	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	4.6	179.8	-50.6	-85.3	0	0	0	113.2	N867 G871	N867-N869 PolarHBondContact O-N 2.78Å; N867-N869 PolarHBondContact OD1-N 2.83Å; N867-N869 VanDerWaalsContact OD1-N 3.08Å; N867-N869 PolarHBondContact OD1-ND2 3.05Å; N869-G871 VanDerWaalsContact C-N 3.29Å; N869-G871 PolarHBondContact O-N 3.2Å
870	A	74.2	Confident	89.3	Confident	40 Å²	40	42.3 Å²	42.3	33%	0.331	25%	0.252	S	S	.	.	S	Bend	trans	-70.1	-20.6	-171.2	0	0	0	0	0	114.7	L865 N867	L865-A870 HydrophobicContact CD1-CB 3.91Å; N867-A870 HydrophobicContact CB-CB 4.25Å; N867-A870 WeakPolarHBondContact O-CB 3.13Å; N867-A870 PolarHBondContact O-N 2.88Å
871	G	73	Confident	89.5	Confident	46 Å²	46	39.7 Å²	39.7	47%	0.474	24%	0.239	S	C	.	.			trans	74.1	177.3	-175.2	0	0	0	0	0	113.7	N869 C873	N869-G871 VanDerWaalsContact C-N 3.29Å; N869-G871 PolarHBondContact O-N 3.2Å; G871-C873 PolarHBondContact O-N 2.63Å
872	P	82.3	Confident	89.7	Confident	107 Å²	107	39.6 Å²	39.6	70%	0.695	24%	0.238	S	C	*	.			trans	-69.5	121.6	-179.9	28.7	-33.7	0	0	0	111	S862	S862-P872 WeakPolarHBondContact OG-CA 3.47Å
873	C	87.7	Confident	89.9	Confident	7 Å²	7	38 Å²	38	5%	0.047	23%	0.227	C	C	.	.			trans	-108.6	72.6	-177.7	-71.8	0	0	0	0	111	M861 S862 L865 G871 Y875	M861-C873 HydrophobicContact CB-CB 4.28Å; M861-C873 PolarHBondContact N-O 2.91Å; S862-C873 PolarHBondContact OG-N 3.43Å; L865-C873 HydrophobicContact CD1-CB 3.95Å; L865-C873 WeakPolarHBondContact CD1-SG 3.49Å; G871-C873 PolarHBondContact O-N 2.63Å; C873-Y875 HydrophobicContact CB-CE2 4.23Å; C873-Y875 WeakPolarHBondContact O-CD2 3.37Å
874	L	94.1	Very high	89.8	Confident	57 Å²	57	37.2 Å²	37.2	30%	0.298	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.5	173.8	-60.9	-179.9	0	0	0	111.3	D860 R932 Q933	D860-L874 HydrophobicContact CB-CD2 3.66Å; L874-R932 WeakPolarHBondContact O-CA 3.38Å; L874-R932 WeakPolarHBondContact O-CG 3.3Å; L874-Q933 HydrophobicContact CB-CB 4.38Å; L874-Q933 HydrophobicContact CB-CG 4.09Å; L874-Q933 PolarHBondContact O-N 2.68Å
875	Y	95.9	Very high	89.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.7	179.3	-73.4	-96.9	0	0	0	113	L827 P828 L831 D858 L859 M861 C873 Q931 R932	L827-Y875 HydrophobicContact CB-CE2 4.49Å; L827-Y875 WeakPolarHBondContact CB-OH 3.09Å; L827-Y875 HydrophobicContact CD1-CE2 4.14Å; P828-Y875 WeakPolarHBondContact O-CE1 3.23Å; P828-Y875 PolarHBondContact O-OH 2.88Å; L831-Y875 HydrophobicContact CB-CD1 4.15Å; L831-Y875 HydrophobicContact CB-CE1 3.62Å; L831-Y875 HydrophobicContact CD2-CE2 4.48Å; D858-Y875 PolarHBondContact N-O 3.28Å; L859-Y875 PolarHBondContact N-O 3.17Å; L859-Y875 PolarHBondContact O-N 2.85Å; M861-Y875 HydrophobicContact CB-CD2 4.33Å; M861-Y875 HydrophobicContact CB-CE2 4.21Å; M861-Y875 HydrophobicContact CG-CD2 3.77Å; M861-Y875 HydrophobicContact CG-CE2 3.92Å; C873-Y875 HydrophobicContact CB-CE2 4.23Å; C873-Y875 WeakPolarHBondContact O-CD2 3.37Å; Y875-Q931 CarbonylContact C-O 3.57Å; Y875-Q931 WeakPolarHBondContact CA-O 3.46Å; Y875-Q931 VanDerWaalsContact CD1-C 3.46Å; Y875-R932 HydrophobicContact CD1-CB 3.85Å; Y875-R932 HydrophobicContact CD1-CG 4.12Å; Y875-R932 HydrophobicContact CD2-CG 4.14Å; Y875-R932 HydrophobicContact CE1-CB 3.52Å; Y875-R932 HydrophobicContact CE1-CG 3.75Å; Y875-R932 HydrophobicContact CE2-CB 4.48Å; Y875-R932 HydrophobicContact CE2-CG 3.78Å; Y875-R932 HydrophobicContact CG-CB 4.44Å; Y875-R932 HydrophobicContact CG-CG 4.3Å; Y875-R932 WeakPolarHBondContact OH-CD 3.47Å
876	N	96.9	Very high	88.3	Confident	46 Å²	46	38.5 Å²	38.5	25%	0.246	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143.1	169.2	-66.9	-16.7	0	0	0	110.3	N857 D858 Y930 Q931 Q933	N857-N876 WeakPolarHBondContact CA-OD1 3.38Å; D858-N876 PolarHBondContact N-OD1 2.81Å; N876-Y930 CarbonylContact O-C 3.59Å; N876-Y930 WeakPolarHBondContact O-CA 3.38Å; N876-Q931 PolarHBondContact N-O 3.22Å; N876-Q931 PolarHBondContact O-N 2.75Å; N876-Q933 PolarHBondContact ND2-NE2 3.02Å; N876-Q933 PolarHBondContact OD1-NE2 3.43Å
877	L	98.3	Very high	86.6	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	132.4	179	-168.8	75.9	0	0	0	109.9	F854 I856 V880 W904 I920 L928 Y930	F854-L877 HydrophobicContact CD2-CD2 4.23Å; F854-L877 HydrophobicContact CE2-CD2 3.8Å; I856-L877 HydrophobicContact CG1-CD2 4.23Å; I856-L877 HydrophobicContact CG2-CB 4.31Å; I856-L877 HydrophobicContact CG2-CD2 4.34Å; I856-L877 WeakPolarHBondContact O-CB 3.34Å; I856-L877 PolarHBondContact O-N 3.15Å; L877-V880 HydrophobicContact CD1-CG2 4.02Å; L877-V880 HydrophobicContact CD2-CG2 3.72Å; L877-V880 HydrophobicContact CG-CG2 4.15Å; L877-W904 HydrophobicContact CB-CH2 4.25Å; L877-W904 HydrophobicContact CB-CZ2 4.35Å; L877-W904 HydrophobicContact CD2-CH2 3.93Å; L877-W904 HydrophobicContact CD2-CZ2 4.31Å; L877-W904 HydrophobicContact CG-CH2 3.89Å; L877-W904 HydrophobicContact CG-CZ2 4.42Å; L877-W904 WeakPolarHBondContact O-CH2 3.43Å; L877-W904 VanDerWaalsContact O-CZ2 3.3Å; L877-W904 WeakPolarHBondContact O-CZ2 3.38Å; L877-I920 HydrophobicContact CD2-CG2 3.85Å; L877-L928 HydrophobicContact CD1-CB 3.98Å; L877-Y930 HydrophobicContact CB-CD1 4.15Å; L877-Y930 HydrophobicContact CB-CE1 3.85Å; L877-Y930 HydrophobicContact CD1-CD1 4.18Å; L877-Y930 HydrophobicContact CD1-CD2 4.07Å; L877-Y930 HydrophobicContact CD1-CE1 3.81Å; L877-Y930 HydrophobicContact CD1-CE2 3.7Å; L877-Y930 HydrophobicContact CD1-CG 4.3Å; L877-Y930 HydrophobicContact CG-CE1 4.44Å
878	I	97.9	Very high	85	Confident	16 Å²	16	39.9 Å²	39.9	8%	0.082	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-28.5	179.4	60.1	166.6	0	0	0	113.1	T310 V830 A896 K897 F929 Q931	T310-I878 HydrophobicContact CG2-CD1 4.37Å; V830-I878 HydrophobicContact CG1-CD1 4.28Å; I878-A896 WeakPolarHBondContact O-CA 3.28Å; I878-K897 PolarHBondContact O-N 3.08Å; I878-F929 HydrophobicContact CD1-CB 4.37Å; I878-F929 HydrophobicContact CG1-CB 3.83Å; I878-F929 WeakPolarHBondContact CG1-O 3.43Å; I878-F929 PolarHBondContact N-O 3.26Å; I878-Q931 HydrophobicContact CD1-CB 4.3Å; I878-Q931 HydrophobicContact CG2-CB 3.82Å
879	A	98.5	Very high	84.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	159.3	174.1	0	0	0	0	0	112.7	C306 F895 A896 F929	C306-A879 HydrophobicContact CB-CB 3.96Å; A879-F895 CarbonylContact C-O 3.54Å; A879-F895 VanDerWaalsContact CA-O 3.23Å; A879-F895 WeakPolarHBondContact CA-O 3.22Å; A879-F895 WeakPolarHBondContact CB-O 3.28Å; A879-A896 HydrophobicContact CB-CB 3.98Å; A879-F929 HydrophobicContact CB-CB 4.05Å; A879-F929 HydrophobicContact CB-CG 4.42Å; A879-F929 PolarHBondContact N-O 2.81Å; A879-F929 PolarHBondContact O-N 2.66Å
880	V	98.7	Very high	85	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	121.8	174.1	176.9	0	0	0	0	109.3	F854 L877 N882 A894 F895 I920 A925 V927 L928	F854-V880 HydrophobicContact CE2-CG2 4.23Å; F854-V880 HydrophobicContact CZ-CG2 4.42Å; L877-V880 HydrophobicContact CD1-CG2 4.02Å; L877-V880 HydrophobicContact CD2-CG2 3.72Å; L877-V880 HydrophobicContact CG-CG2 4.15Å; V880-N882 WeakPolarHBondContact CG1-OD1 3.44Å; V880-A894 CarbonylContact O-C 3.47Å; V880-A894 WeakPolarHBondContact O-CA 3.2Å; V880-F895 HydrophobicContact CB-CB 4.39Å; V880-F895 PolarHBondContact N-O 3.17Å; V880-F895 PolarHBondContact O-N 3.07Å; V880-I920 HydrophobicContact CB-CG2 4.4Å; V880-I920 HydrophobicContact CG2-CG2 3.7Å; V880-A925 HydrophobicContact CG1-CB 3.65Å; V880-V927 CarbonylContact C-O 3.59Å; V880-V927 WeakPolarHBondContact CA-O 3.19Å; V880-L928 HydrophobicContact CB-CD2 4.46Å; V880-L928 HydrophobicContact CG1-CD2 3.97Å; V880-L928 HydrophobicContact CG2-CD2 3.82Å
881	S	98.4	Very high	85.8	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.3	161.9	178.6	0	0	0	0	109.2	S302 C381 Y926 V927	S302-S881 WeakPolarHBondContact OG-CB 3.5Å; S302-S881 PolarHBondContact OG-OG 3.35Å; C381-S881 PolarHBondContact SG-OG 3.22Å; C381-S881 VanDerWaalsContact SG-OG 3.41Å; S881-Y926 WeakPolarHBondContact O-CB 3.33Å; S881-Y926 PolarHBondContact O-N 3.34Å; S881-V927 PolarHBondContact N-O 3.43Å; S881-V927 PolarHBondContact O-N 3.33Å
882	N	97.4	Very high	86.9	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	149.1	177.6	-58.8	-57.5	0	0	0	110.9	V880 Y884 Y892 T893 F895 A924	V880-N882 WeakPolarHBondContact CG1-OD1 3.44Å; N882-Y884 HydrophobicContact CB-CE2 4.11Å; N882-Y892 VanDerWaalsContact O-CA 3.26Å; N882-Y892 WeakPolarHBondContact O-CA 3.37Å; N882-Y892 WeakPolarHBondContact O-CD1 3.21Å; N882-T893 PolarHBondContact N-O 3.48Å; N882-T893 PolarHBondContact ND2-OG1 2.96Å; N882-T893 PolarHBondContact O-N 2.96Å; N882-F895 VanDerWaalsContact ND2-CD2 3.26Å; N882-F895 WeakPolarHBondContact ND2-CD2 3.46Å; N882-F895 WeakPolarHBondContact ND2-CE2 3.42Å; N882-A924 CarbonylContact C-O 3.47Å; N882-A924 WeakPolarHBondContact CA-O 3.36Å; N882-A924 HydrophobicContact CB-CB 4.08Å
883	H	94.9	Very high	87.6	Confident	4 Å²	4	25.3 Å²	25.3	2%	0.019	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	116.5	168.7	-175	-98.5	0	0	0	113.5	F838 K847 G885 H891 Y892 A924 Y926	F838-H883 AromaticContact CZ-CE1 3.74Å; F838-H883 AromaticContact CZ-ND1 3.57Å; K847-H883 PolarHBondContact NZ-O 2.8Å; H883-G885 PolarHBondContact CE1-O 3.26Å; H883-H891 WeakPolarHBondContact CA-O 3.34Å; H883-Y892 HydrophobicContact CB-CD1 3.9Å; H883-Y892 HydrophobicContact CB-CE1 3.72Å; H883-Y892 AromaticContact CD2-CD1 3.76Å; H883-Y892 AromaticContact CD2-CD2 3.61Å; H883-Y892 AromaticContact CD2-CE1 3.51Å; H883-Y892 AromaticContact CD2-CE2 3.37Å; H883-Y892 WeakPolarHBondContact CD2-CE2 3.07Å; H883-Y892 AromaticContact CD2-CG 3.81Å; H883-Y892 AromaticContact CD2-CZ 3.32Å; H883-Y892 AromaticContact CG-CE1 3.86Å; H883-Y892 AromaticContact CG-CZ 3.99Å; H883-Y892 AromaticContact NE2-CE2 3.88Å; H883-A924 PolarHBondContact N-O 3.36Å; H883-Y926 HydrophobicContact CB-CG 4.5Å
884	Y	88.4	Confident	88.2	Confident	89 Å²	89	25 Å²	25	35%	0.349	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	154.4	172.7	-52.6	-79.8	0	0	0	110.9	N882 G890 H891 T893 Y906 A924	N882-Y884 HydrophobicContact CB-CE2 4.11Å; Y884-G890 CarbonylContact O-C 3.6Å; Y884-G890 WeakPolarHBondContact O-CA 3.44Å; Y884-H891 PolarHBondContact N-O 2.9Å; Y884-H891 PolarHBondContact O-N 3.38Å; Y884-T893 HydrophobicContact CE2-CG2 4.17Å; Y884-T893 WeakPolarHBondContact CE2-OG1 3.49Å; Y884-Y906 WeakPolarHBondContact CE2-OH 3.38Å; Y884-Y906 PolarHBondContact OH-OH 3Å; Y884-A924 HydrophobicContact CD1-CB 3.71Å; Y884-A924 HydrophobicContact CE1-CB 3.34Å; Y884-A924 HydrophobicContact CG-CB 4.43Å
885	G	83	Confident	88.4	Confident	45 Å²	45	22.8 Å²	22.8	46%	0.464	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	68.9	-158.7	-174.5	0	0	0	0	0	113.4	K847 H883	K847-G885 WeakPolarHBondContact CD-O 3.46Å; K847-G885 WeakPolarHBondContact CE-O 3.08Å; K847-G885 PolarHBondContact NZ-O 2.96Å; H883-G885 PolarHBondContact CE1-O 3.26Å
886	G	68.6	Low	88.5	Confident	26 Å²	26	22.8 Å²	22.8	27%	0.268	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	178.2	-170.7	0	0	0	0	0	114.2	G888 G889 G890	G886-G888 PolarHBondContact O-N 2.86Å; G886-G889 PolarHBondContact N-O 2.89Å; G886-G889 CarbonylContact O-C 3.6Å; G886-G889 PolarHBondContact O-N 3.34Å; G886-G889 VanDerWaalsContact O-O 3.1Å; G886-G890 PolarHBondContact O-N 2.74Å
887	M	54.8	Low	88.5	Confident	35 Å²	35	23 Å²	23	17%	0.172	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	23.6	-166.4	-161.8	155.6	54.5	0	0	115.7	F838 Y840 R845	F838-M887 HydrophobicContact CB-CE 3.86Å; F838-M887 HydrophobicContact CB-SD 3.94Å; F838-M887 HydrophobicContact CD1-CB 4.12Å; F838-M887 HydrophobicContact CD1-CE 4.1Å; F838-M887 HydrophobicContact CD1-CG 4.48Å; F838-M887 HydrophobicContact CD1-SD 3.78Å; F838-M887 HydrophobicContact CD2-SD 4.15Å; F838-M887 HydrophobicContact CE1-CB 4.07Å; F838-M887 HydrophobicContact CE1-SD 4.3Å; F838-M887 HydrophobicContact CG-CE 4.14Å; F838-M887 HydrophobicContact CG-SD 3.7Å; Y840-M887 HydrophobicContact CD1-CE 3.71Å; Y840-M887 HydrophobicContact CD2-CE 4.41Å; Y840-M887 HydrophobicContact CE1-CE 3.32Å; Y840-M887 HydrophobicContact CE1-SD 3.73Å; Y840-M887 HydrophobicContact CE2-CE 4.07Å; Y840-M887 HydrophobicContact CE2-SD 4.38Å; Y840-M887 HydrophobicContact CG-CE 4.25Å; Y840-M887 VanDerWaalsContact CZ-SD 3.56Å; Y840-M887 PolarHBondContact OH-SD 2.89Å; R845-M887 HydrophobicContact CB-CB 4.28Å; R845-M887 HydrophobicContact CB-CE 3.79Å; R845-M887 HydrophobicContact CG-CE 4.02Å; R845-M887 PolarHBondContact NH1-O 3.48Å; R845-M887 VanDerWaalsContact NH1-O 3.07Å
888	G	53.8	Low	88.4	Confident	81 Å²	81	23 Å²	23	84%	0.835	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.2	4.9	164.2	0	0	0	0	0	112.7	G886	G886-G888 PolarHBondContact O-N 2.86Å
889	G	65.5	Low	88.3	Confident	45 Å²	45	25.4 Å²	25.4	46%	0.464	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	171.6	96.6	-172.8	0	0	0	0	0	109.8	G886	G886-G889 PolarHBondContact N-O 2.89Å; G886-G889 CarbonylContact O-C 3.6Å; G886-G889 PolarHBondContact O-N 3.34Å; G886-G889 VanDerWaalsContact O-O 3.1Å
890	G	82	Confident	88	Confident	14 Å²	14	29.6 Å²	29.6	14%	0.144	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	-178	180	0	0	0	0	0	112.3	Q378 Y884 G886	Q378-G890 PolarHBondContact NE2-O 3.39Å; Q378-G890 PolarHBondContact OE1-O 3.07Å; Y884-G890 CarbonylContact O-C 3.6Å; Y884-G890 WeakPolarHBondContact O-CA 3.44Å; G886-G890 PolarHBondContact O-N 2.74Å
891	H	91.4	Very high	87.8	Confident	55 Å²	55	32 Å²	32	26%	0.255	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	142.4	-177.7	-173.6	44.3	0	0	0	111.1	C298 H883 Y884 D908 D909	C298-H891 VanDerWaalsContact CB-CE1 3.45Å; C298-H891 WeakPolarHBondContact CB-CE1 3.17Å; C298-H891 WeakPolarHBondContact CB-ND1 3.36Å; C298-H891 PolarHBondContact SG-ND1 3.44Å; H883-H891 WeakPolarHBondContact CA-O 3.34Å; Y884-H891 PolarHBondContact N-O 2.9Å; Y884-H891 PolarHBondContact O-N 3.38Å; H891-D908 IonicContact CD2-OD1 3.29Å; H891-D908 IonicContact CE1-OD1 2.77Å; H891-D908 IonicContact NE2-OD1 3.92Å; H891-D908 PolarHBondContact NE2-OD1 2.88Å; H891-D909 IonicContact CE1-OD2 3.29Å; H891-D909 PolarHBondContact CE1-OD2 2.93Å
892	Y	96.3	Very high	87.6	Confident	9 Å²	9	34 Å²	34	4%	0.035	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.6	-179.3	-71.6	-90.5	0	0	0	111.6	C298 F299 Q379 C381 N882 H883 Y926	C298-Y892 WeakPolarHBondContact CB-O 3.24Å; F299-Y892 HydrophobicContact CB-CD2 3.49Å; F299-Y892 VanDerWaalsContact CB-CD2 3.49Å; F299-Y892 HydrophobicContact CB-CE2 3.59Å; F299-Y892 HydrophobicContact CB-CG 4.08Å; Q379-Y892 VanDerWaalsContact O-CE2 3.28Å; Q379-Y892 WeakPolarHBondContact O-CE2 3.27Å; Q379-Y892 PolarHBondContact O-OH 2.93Å; C381-Y892 HydrophobicContact CB-CD1 3.69Å; C381-Y892 HydrophobicContact CB-CE1 3.35Å; C381-Y892 HydrophobicContact CB-CG 4.45Å; C381-Y892 PolarHBondContact N-OH 3.1Å; N882-Y892 VanDerWaalsContact O-CA 3.26Å; N882-Y892 WeakPolarHBondContact O-CA 3.37Å; N882-Y892 WeakPolarHBondContact O-CD1 3.21Å; H883-Y892 HydrophobicContact CB-CD1 3.9Å; H883-Y892 HydrophobicContact CB-CE1 3.72Å; H883-Y892 AromaticContact CD2-CD1 3.76Å; H883-Y892 AromaticContact CD2-CD2 3.61Å; H883-Y892 AromaticContact CD2-CE1 3.51Å; H883-Y892 AromaticContact CD2-CE2 3.37Å; H883-Y892 WeakPolarHBondContact CD2-CE2 3.07Å; H883-Y892 AromaticContact CD2-CG 3.81Å; H883-Y892 AromaticContact CD2-CZ 3.32Å; H883-Y892 AromaticContact CG-CE1 3.86Å; H883-Y892 AromaticContact CG-CZ 3.99Å; H883-Y892 AromaticContact NE2-CE2 3.88Å; Y892-Y926 AromaticContact CE1-CD1 3.85Å; Y892-Y926 HydrophobicContact CE1-CD1 3.85Å; Y892-Y926 HydrophobicContact CE1-CE1 4.07Å
893	T	97.9	Very high	87.5	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	178.2	175.1	69.5	0	0	0	0	109.4	S302 N882 Y884 Y906 F907 D908	S302-T893 WeakPolarHBondContact CB-O 3.47Å; S302-T893 PolarHBondContact OG-O 3.05Å; N882-T893 PolarHBondContact N-O 3.48Å; N882-T893 PolarHBondContact ND2-OG1 2.96Å; N882-T893 PolarHBondContact O-N 2.96Å; Y884-T893 HydrophobicContact CE2-CG2 4.17Å; Y884-T893 WeakPolarHBondContact CE2-OG1 3.49Å; T893-Y906 WeakPolarHBondContact CB-OH 3.22Å; T893-Y906 VanDerWaalsContact CG2-OH 3.29Å; T893-Y906 WeakPolarHBondContact CG2-OH 3.13Å; T893-Y906 WeakPolarHBondContact OG1-CE2 3.37Å; T893-Y906 VanDerWaalsContact OG1-CZ 3.28Å; T893-Y906 PolarHBondContact OG1-OH 2.94Å; T893-F907 WeakPolarHBondContact CA-O 3.46Å; T893-F907 WeakPolarHBondContact CB-O 3.06Å; T893-D908 HydrophobicContact CG2-CB 4.11Å; T893-D908 VanDerWaalsContact CG2-CG 3.44Å; T893-D908 WeakPolarHBondContact CG2-OD1 3.42Å; T893-D908 WeakPolarHBondContact CG2-OD2 3.35Å
894	A	98.7	Very high	87.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	142.5	174.8	0	0	0	0	0	112.6	Q305 V880 Y906 F907	Q305-A894 HydrophobicContact CB-CB 3.83Å; V880-A894 CarbonylContact O-C 3.47Å; V880-A894 WeakPolarHBondContact O-CA 3.2Å; A894-Y906 WeakPolarHBondContact O-CA 3.32Å; A894-F907 HydrophobicContact CB-CB 4.5Å; A894-F907 PolarHBondContact N-O 3.21Å; A894-F907 PolarHBondContact O-N 3.27Å
895	F	98.7	Very high	88.2	Confident	11 Å²	11	36.1 Å²	36.1	5%	0.048	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	140.3	153.2	-67.8	-73.8	0	0	0	108.6	A879 V880 N882 W904 Y905 Y906 A915 Q919 I920	A879-F895 CarbonylContact C-O 3.54Å; A879-F895 VanDerWaalsContact CA-O 3.23Å; A879-F895 WeakPolarHBondContact CA-O 3.22Å; A879-F895 WeakPolarHBondContact CB-O 3.28Å; V880-F895 HydrophobicContact CB-CB 4.39Å; V880-F895 PolarHBondContact N-O 3.17Å; V880-F895 PolarHBondContact O-N 3.07Å; N882-F895 VanDerWaalsContact ND2-CD2 3.26Å; N882-F895 WeakPolarHBondContact ND2-CD2 3.46Å; N882-F895 WeakPolarHBondContact ND2-CE2 3.42Å; F895-W904 HydrophobicContact CB-CE3 4.14Å; F895-W904 HydrophobicContact CB-CZ3 4.21Å; F895-Y905 CarbonylContact C-O 3.52Å; F895-Y905 VanDerWaalsContact CA-O 3.31Å; F895-Y905 WeakPolarHBondContact CA-O 3.36Å; F895-Y906 AromaticContact CD1-CD2 3.69Å; F895-Y906 HydrophobicContact CD1-CD2 3.69Å; F895-Y906 HydrophobicContact CD1-CG 4.32Å; F895-Y906 HydrophobicContact CD2-CD2 4.42Å; F895-Y906 AromaticContact CE1-CD2 3.39Å; F895-Y906 HydrophobicContact CE1-CD2 3.39Å; F895-Y906 HydrophobicContact CE1-CE2 4.24Å; F895-Y906 HydrophobicContact CE1-CG 4Å; F895-Y906 HydrophobicContact CE2-CD2 4.17Å; F895-Y906 HydrophobicContact CE2-CE2 4.34Å; F895-Y906 HydrophobicContact CG-CD2 4.2Å; F895-Y906 AromaticContact CZ-CD2 3.65Å; F895-Y906 HydrophobicContact CZ-CD2 3.65Å; F895-Y906 HydrophobicContact CZ-CE2 4.04Å; F895-A915 HydrophobicContact CD1-CB 3.72Å; F895-A915 HydrophobicContact CE1-CB 3.66Å; F895-Q919 HydrophobicContact CE1-CB 4.3Å; F895-Q919 HydrophobicContact CZ-CB 4.09Å; F895-I920 HydrophobicContact CB-CG1 4.47Å; F895-I920 HydrophobicContact CD1-CG1 4.31Å; F895-I920 HydrophobicContact CD2-CB 4.43Å; F895-I920 HydrophobicContact CD2-CG1 4.35Å; F895-I920 HydrophobicContact CD2-CG2 4.25Å; F895-I920 HydrophobicContact CG-CG1 4.15Å
896	A	98.4	Very high	88.9	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	149.9	168.2	0	0	0	0	0	112.5	N309 I878 A879 W904 Y905 F907	N309-A896 HydrophobicContact CB-CB 3.61Å; I878-A896 WeakPolarHBondContact O-CA 3.28Å; A879-A896 HydrophobicContact CB-CB 3.98Å; A896-W904 WeakPolarHBondContact O-CA 3.41Å; A896-Y905 PolarHBondContact N-O 3.32Å; A896-Y905 PolarHBondContact O-N 2.74Å; A896-F907 HydrophobicContact CB-CD2 4.38Å; A896-F907 HydrophobicContact CB-CE2 3.85Å
897	K	97.6	Very high	90.3	Very high	51 Å²	51	35 Å²	35	22%	0.222	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	112.8	177.4	-155.3	167.7	-168	155	0	108.4	I878 K899 G902 K903 W904 E917	I878-K897 PolarHBondContact O-N 3.08Å; K897-K899 PolarHBondContact O-N 3.48Å; K897-G902 WeakPolarHBondContact CE-O 3.49Å; K897-K903 CarbonylContact C-O 3.51Å; K897-K903 VanDerWaalsContact CA-O 3.32Å; K897-K903 WeakPolarHBondContact CA-O 3.48Å; K897-W904 HydrophobicContact CB-CD2 3.88Å; K897-W904 HydrophobicContact CB-CE3 4.01Å; K897-W904 HydrophobicContact CB-CH2 4.07Å; K897-W904 HydrophobicContact CB-CZ2 3.96Å; K897-W904 HydrophobicContact CB-CZ3 4.11Å; K897-W904 HydrophobicContact CD-CD2 4.37Å; K897-W904 HydrophobicContact CD-CZ2 3.83Å; K897-W904 HydrophobicContact CG-CD2 4.09Å; K897-W904 HydrophobicContact CG-CG 4.33Å; K897-W904 HydrophobicContact CG-CZ2 4.29Å; K897-E917 IonicContact NZ-OE1 2.75Å; K897-E917 PolarHBondContact NZ-OE1 3.28Å
898	N	96.4	Very high	92.3	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	22%	0.215	C	C	.	.			trans	-67.7	127	-178.7	-178	-92.1	0	0	0	109.7	Q285 P286 L288 D900 D901 G902 K903 Y905	Q285-N898 PolarHBondContact NE2-OD1 3.18Å; P286-N898 PolarHBondContact O-ND2 3.35Å; L288-N898 HydrophobicContact CD2-CB 4.05Å; N898-D900 VanDerWaalsContact C-N 3.28Å; N898-D900 PolarHBondContact O-N 3.39Å; N898-D900 PolarHBondContact OD1-N 3.46Å; N898-D901 PolarHBondContact OD1-N 3.33Å; N898-G902 VanDerWaalsContact O-CA 3.3Å; N898-G902 WeakPolarHBondContact O-CA 3.29Å; N898-G902 PolarHBondContact O-N 2.79Å; N898-K903 PolarHBondContact N-O 2.86Å; N898-Y905 HydrophobicContact CB-CD2 3.94Å; N898-Y905 HydrophobicContact CB-CE2 3.89Å
899	K	94.1	Very high	94.3	Very high	66 Å²	66	32.8 Å²	32.8	29%	0.287	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-23.5	-172.2	82.1	-173.8	-174.5	66	0	114.1	P311 E315 W350 K897	P311-K899 HydrophobicContact CB-CB 4.39Å; P311-K899 HydrophobicContact CB-CD 4.05Å; P311-K899 HydrophobicContact CG-CB 4.05Å; E315-K899 WeakPolarHBondContact OE1-CE 3.22Å; E315-K899 IonicContact OE1-NZ 2.79Å; E315-K899 PolarHBondContact OE1-NZ 2.91Å; W350-K899 HydrophobicContact CH2-CD 3.92Å; W350-K899 HydrophobicContact CH2-CG 3.82Å; W350-K899 HydrophobicContact CZ3-CD 4Å; W350-K899 HydrophobicContact CZ3-CG 3.91Å; K897-K899 PolarHBondContact O-N 3.48Å
900	D	93.4	Very high	95.6	Very high	88 Å²	88	33.5 Å²	33.5	47%	0.471	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-19.6	-171.3	-65.2	-23.1	0	0	0	112.8	N898	N898-D900 VanDerWaalsContact C-N 3.28Å; N898-D900 PolarHBondContact O-N 3.39Å; N898-D900 PolarHBondContact OD1-N 3.46Å
901	D	94.2	Very high	96.1	Very high	51 Å²	51	36 Å²	36	27%	0.273	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-7.4	174.2	82	-7.6	0	0	0	115.8	Q285 N898 K903 Y905	Q285-D901 PolarHBondContact NE2-OD2 3.17Å; N898-D901 PolarHBondContact OD1-N 3.33Å; D901-K903 VanDerWaalsContact C-N 3.31Å; D901-K903 PolarHBondContact O-N 3.06Å; D901-K903 WeakPolarHBondContact OD1-CB 3.27Å; D901-K903 PolarHBondContact OD1-N 3.12Å; D901-K903 IonicContact OD2-NZ 2.63Å; D901-K903 PolarHBondContact OD2-NZ 3.36Å; D901-Y905 PolarHBondContact OD2-OH 2.96Å; D901-Y905 VanDerWaalsContact OD2-OH 3.13Å
902	G	93.6	Very high	96.4	Very high	42 Å²	42	35.4 Å²	35.4	43%	0.433	19%	0.194	S	C	.	.			trans	74.3	7.9	177.5	0	0	0	0	0	115.9	K897 N898	K897-G902 WeakPolarHBondContact CE-O 3.49Å; N898-G902 VanDerWaalsContact O-CA 3.3Å; N898-G902 WeakPolarHBondContact O-CA 3.29Å; N898-G902 PolarHBondContact O-N 2.79Å
903	K	96.6	Very high	96.3	Very high	112 Å²	112	37.4 Å²	37.4	49%	0.487	21%	0.209	S	C	.	.			trans	-93.4	158.8	-178.8	-54.3	-167.2	-151.8	91.3	0	112.7	K897 N898 D901 Y905	K897-K903 CarbonylContact C-O 3.51Å; K897-K903 VanDerWaalsContact CA-O 3.32Å; K897-K903 WeakPolarHBondContact CA-O 3.48Å; N898-K903 PolarHBondContact N-O 2.86Å; D901-K903 VanDerWaalsContact C-N 3.31Å; D901-K903 PolarHBondContact O-N 3.06Å; D901-K903 WeakPolarHBondContact OD1-CB 3.27Å; D901-K903 PolarHBondContact OD1-N 3.12Å; D901-K903 IonicContact OD2-NZ 2.63Å; D901-K903 PolarHBondContact OD2-NZ 3.36Å; K903-Y905 HydrophobicContact CB-CE2 3.77Å; K903-Y905 WeakPolarHBondContact O-CD2 3.45Å
904	W	98.2	Very high	96.2	Very high	9 Å²	9	42.5 Å²	42.5	3%	0.034	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	140.5	174.7	-73.3	97.5	0	0	0	112.7	I856 L877 F895 A896 K897 A915 E917 I920	I856-W904 HydrophobicContact CG2-CZ2 3.92Å; L877-W904 HydrophobicContact CB-CH2 4.25Å; L877-W904 HydrophobicContact CB-CZ2 4.35Å; L877-W904 HydrophobicContact CD2-CH2 3.93Å; L877-W904 HydrophobicContact CD2-CZ2 4.31Å; L877-W904 HydrophobicContact CG-CH2 3.89Å; L877-W904 HydrophobicContact CG-CZ2 4.42Å; L877-W904 WeakPolarHBondContact O-CH2 3.43Å; L877-W904 VanDerWaalsContact O-CZ2 3.3Å; L877-W904 WeakPolarHBondContact O-CZ2 3.38Å; F895-W904 HydrophobicContact CB-CE3 4.14Å; F895-W904 HydrophobicContact CB-CZ3 4.21Å; A896-W904 WeakPolarHBondContact O-CA 3.41Å; K897-W904 HydrophobicContact CB-CD2 3.88Å; K897-W904 HydrophobicContact CB-CE3 4.01Å; K897-W904 HydrophobicContact CB-CH2 4.07Å; K897-W904 HydrophobicContact CB-CZ2 3.96Å; K897-W904 HydrophobicContact CB-CZ3 4.11Å; K897-W904 HydrophobicContact CD-CD2 4.37Å; K897-W904 HydrophobicContact CD-CZ2 3.83Å; K897-W904 HydrophobicContact CG-CD2 4.09Å; K897-W904 HydrophobicContact CG-CG 4.33Å; K897-W904 HydrophobicContact CG-CZ2 4.29Å; W904-A915 HydrophobicContact CB-CB 4.22Å; W904-A915 PolarHBondContact O-N 2.75Å; W904-E917 HydrophobicContact CG-CG 4.38Å; W904-E917 PolarHBondContact NE1-OE1 3.24Å; W904-I920 HydrophobicContact CB-CD1 4.44Å; W904-I920 HydrophobicContact CD2-CD1 3.31Å; W904-I920 VanDerWaalsContact CE2-CD1 3.45Å; W904-I920 HydrophobicContact CE3-CD1 3.56Å; W904-I920 HydrophobicContact CG-CD1 3.74Å; W904-I920 HydrophobicContact CH2-CD1 4.08Å; W904-I920 HydrophobicContact CZ2-CD1 3.84Å; W904-I920 HydrophobicContact CZ3-CD1 3.94Å
905	Y	98.2	Very high	96.1	Very high	17 Å²	17	43.4 Å²	43.4	7%	0.067	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	146.5	177.9	-67.6	-91.6	0	0	0	110.4	L288 F895 A896 N898 D901 K903 V912 S913 T914	L288-Y905 HydrophobicContact CD1-CD1 4.07Å; L288-Y905 HydrophobicContact CD1-CE1 3.47Å; L288-Y905 VanDerWaalsContact CD1-CE1 3.47Å; L288-Y905 HydrophobicContact CD1-CE2 4.12Å; L288-Y905 HydrophobicContact CD2-CD1 3.83Å; L288-Y905 HydrophobicContact CD2-CD2 3.51Å; L288-Y905 HydrophobicContact CD2-CE1 3.96Å; L288-Y905 HydrophobicContact CD2-CE2 3.65Å; L288-Y905 HydrophobicContact CD2-CG 3.61Å; L288-Y905 HydrophobicContact CG-CE1 4.39Å; F895-Y905 CarbonylContact C-O 3.52Å; F895-Y905 VanDerWaalsContact CA-O 3.31Å; F895-Y905 WeakPolarHBondContact CA-O 3.36Å; A896-Y905 PolarHBondContact N-O 3.32Å; A896-Y905 PolarHBondContact O-N 2.74Å; N898-Y905 HydrophobicContact CB-CD2 3.94Å; N898-Y905 HydrophobicContact CB-CE2 3.89Å; D901-Y905 PolarHBondContact OD2-OH 2.96Å; D901-Y905 VanDerWaalsContact OD2-OH 3.13Å; K903-Y905 HydrophobicContact CB-CE2 3.77Å; K903-Y905 WeakPolarHBondContact O-CD2 3.45Å; Y905-V912 HydrophobicContact CD1-CG1 4.31Å; Y905-S913 CarbonylContact C-O 3.56Å; Y905-S913 WeakPolarHBondContact CA-O 3.43Å; Y905-S913 WeakPolarHBondContact CD1-O 3.43Å; Y905-T914 HydrophobicContact CD1-CG2 4.17Å; Y905-T914 HydrophobicContact CE1-CG2 3.64Å
906	Y	98.4	Very high	95.8	Very high	42 Å²	42	45.2 Å²	45.2	17%	0.165	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127.2	173.5	-176.9	-108.5	0	0	0	109.4	Y884 T893 A894 F895 D908 V912 S913	Y884-Y906 WeakPolarHBondContact CE2-OH 3.38Å; Y884-Y906 PolarHBondContact OH-OH 3Å; T893-Y906 WeakPolarHBondContact CB-OH 3.22Å; T893-Y906 VanDerWaalsContact CG2-OH 3.29Å; T893-Y906 WeakPolarHBondContact CG2-OH 3.13Å; T893-Y906 WeakPolarHBondContact OG1-CE2 3.37Å; T893-Y906 VanDerWaalsContact OG1-CZ 3.28Å; T893-Y906 PolarHBondContact OG1-OH 2.94Å; A894-Y906 WeakPolarHBondContact O-CA 3.32Å; F895-Y906 AromaticContact CD1-CD2 3.69Å; F895-Y906 HydrophobicContact CD1-CD2 3.69Å; F895-Y906 HydrophobicContact CD1-CG 4.32Å; F895-Y906 HydrophobicContact CD2-CD2 4.42Å; F895-Y906 AromaticContact CE1-CD2 3.39Å; F895-Y906 HydrophobicContact CE1-CD2 3.39Å; F895-Y906 HydrophobicContact CE1-CE2 4.24Å; F895-Y906 HydrophobicContact CE1-CG 4Å; F895-Y906 HydrophobicContact CE2-CD2 4.17Å; F895-Y906 HydrophobicContact CE2-CE2 4.34Å; F895-Y906 HydrophobicContact CG-CD2 4.2Å; F895-Y906 AromaticContact CZ-CD2 3.65Å; F895-Y906 HydrophobicContact CZ-CD2 3.65Å; F895-Y906 HydrophobicContact CZ-CE2 4.04Å; Y906-D908 HydrophobicContact CD1-CB 4.27Å; Y906-D908 HydrophobicContact CE1-CB 3.75Å; Y906-D908 PolarHBondContact OH-OD2 3.25Å; Y906-V912 WeakPolarHBondContact O-CA 3.36Å; Y906-S913 PolarHBondContact N-O 2.77Å; Y906-S913 PolarHBondContact O-N 2.7Å; Y906-S913 PolarHBondContact O-OG 3.1Å
907	F	98.1	Very high	95.5	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	111.4	-176.1	-60.8	-99.5	0	0	0	109	L288 Q305 T893 A894 A896 S911 V912	L288-F907 HydrophobicContact CD2-CZ 4.37Å; Q305-F907 HydrophobicContact CB-CB 4.45Å; Q305-F907 HydrophobicContact CB-CG 4.45Å; Q305-F907 VanDerWaalsContact CD-CD1 3.42Å; Q305-F907 HydrophobicContact CG-CB 3.83Å; Q305-F907 HydrophobicContact CG-CD1 4.15Å; Q305-F907 HydrophobicContact CG-CG 4.03Å; T893-F907 WeakPolarHBondContact CA-O 3.46Å; T893-F907 WeakPolarHBondContact CB-O 3.06Å; A894-F907 HydrophobicContact CB-CB 4.5Å; A894-F907 PolarHBondContact N-O 3.21Å; A894-F907 PolarHBondContact O-N 3.27Å; A896-F907 HydrophobicContact CB-CD2 4.38Å; A896-F907 HydrophobicContact CB-CE2 3.85Å; F907-S911 WeakPolarHBondContact CA-O 3.45Å; F907-V912 HydrophobicContact CD1-CB 4.42Å; F907-V912 HydrophobicContact CD1-CG1 3.94Å; F907-V912 HydrophobicContact CD1-CG2 3.78Å; F907-V912 HydrophobicContact CE1-CG1 3.71Å; F907-V912 HydrophobicContact CE1-CG2 4.04Å; F907-V912 HydrophobicContact CZ-CG1 4.18Å
908	D	96.3	Very high	95.2	Very high	51 Å²	51	52.8 Å²	52.8	27%	0.273	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	90.2	-177.8	-158.3	-30.5	0	0	0	108.8	H891 T893 Y906 S910 S911	H891-D908 IonicContact CD2-OD1 3.29Å; H891-D908 IonicContact CE1-OD1 2.77Å; H891-D908 IonicContact NE2-OD1 3.92Å; H891-D908 PolarHBondContact NE2-OD1 2.88Å; T893-D908 HydrophobicContact CG2-CB 4.11Å; T893-D908 VanDerWaalsContact CG2-CG 3.44Å; T893-D908 WeakPolarHBondContact CG2-OD1 3.42Å; T893-D908 WeakPolarHBondContact CG2-OD2 3.35Å; Y906-D908 HydrophobicContact CD1-CB 4.27Å; Y906-D908 HydrophobicContact CE1-CB 3.75Å; Y906-D908 PolarHBondContact OH-OD2 3.25Å; D908-S910 PolarHBondContact O-N 3.47Å; D908-S911 PolarHBondContact N-O 3.07Å; D908-S911 WeakPolarHBondContact O-CB 3.44Å; D908-S911 PolarHBondContact O-N 2.97Å
909	D	96	Very high	95	Very high	20 Å²	20	57.9 Å²	57.9	11%	0.107	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.4	-111.3	-164.2	-71.8	-40.6	0	0	0	112.2	G290 L291 N293 C298 N301 H891 S911	G290-D909 CarbonylContact C-O 3.57Å; G290-D909 WeakPolarHBondContact CA-O 3.48Å; L291-D909 PolarHBondContact N-O 3.26Å; L291-D909 CarbonylContact O-C 3.6Å; L291-D909 VanDerWaalsContact O-CA 3.22Å; L291-D909 WeakPolarHBondContact O-CA 3.44Å; L291-D909 WeakPolarHBondContact O-CB 3.46Å; N293-D909 HydrophobicContact CB-CB 4.3Å; N293-D909 WeakPolarHBondContact CB-OD2 3.38Å; N293-D909 PolarHBondContact ND2-OD2 2.84Å; C298-D909 WeakPolarHBondContact CA-OD1 3.33Å; C298-D909 WeakPolarHBondContact CB-OD1 3.2Å; N301-D909 PolarHBondContact ND2-OD1 3.25Å; H891-D909 IonicContact CE1-OD2 3.29Å; H891-D909 PolarHBondContact CE1-OD2 2.93Å; D909-S911 VanDerWaalsContact C-N 3.31Å; D909-S911 PolarHBondContact O-N 2.96Å
910	S	92.8	Very high	95	Very high	59 Å²	59	54.7 Å²	54.7	41%	0.413	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-5.4	-179.8	50	0	0	0	0	114.6	L291 D908	L291-S910 PolarHBondContact O-N 3.15Å; D908-S910 PolarHBondContact O-N 3.47Å
911	S	92.9	Very high	95.1	Very high	66 Å²	66	52.7 Å²	52.7	46%	0.462	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	137.9	178.3	-167.5	0	0	0	0	111.3	F907 D908 D909	F907-S911 WeakPolarHBondContact CA-O 3.45Å; D908-S911 PolarHBondContact N-O 3.07Å; D908-S911 WeakPolarHBondContact O-CB 3.44Å; D908-S911 PolarHBondContact O-N 2.97Å; D909-S911 VanDerWaalsContact C-N 3.31Å; D909-S911 PolarHBondContact O-N 2.96Å
912	V	96.8	Very high	95.2	Very high	43 Å²	43	51.7 Å²	51.7	26%	0.261	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.2	173.1	-170.6	0	0	0	0	108.6	L288 Y905 Y906 F907	L288-V912 HydrophobicContact CB-CG1 4.34Å; Y905-V912 HydrophobicContact CD1-CG1 4.31Å; Y906-V912 WeakPolarHBondContact O-CA 3.36Å; F907-V912 HydrophobicContact CD1-CB 4.42Å; F907-V912 HydrophobicContact CD1-CG1 3.94Å; F907-V912 HydrophobicContact CD1-CG2 3.78Å; F907-V912 HydrophobicContact CE1-CG1 3.71Å; F907-V912 HydrophobicContact CE1-CG2 4.04Å; F907-V912 HydrophobicContact CZ-CG1 4.18Å
913	S	95	Very high	95.1	Very high	52 Å²	52	55.5 Å²	55.5	36%	0.364	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	157	-178.7	57.3	0	0	0	0	111.4	Y905 Y906	Y905-S913 CarbonylContact C-O 3.56Å; Y905-S913 WeakPolarHBondContact CA-O 3.43Å; Y905-S913 WeakPolarHBondContact CD1-O 3.43Å; Y906-S913 PolarHBondContact N-O 2.77Å; Y906-S913 PolarHBondContact O-N 2.7Å; Y906-S913 PolarHBondContact O-OG 3.1Å
914	T	96.1	Very high	95	Very high	108 Å²	108	50.5 Å²	50.5	66%	0.663	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	137.9	175.9	49.6	0	0	0	0	111.4	Y905	Y905-T914 HydrophobicContact CD1-CG2 4.17Å; Y905-T914 HydrophobicContact CE1-CG2 3.64Å
915	A	95.9	Very high	95	Very high	19 Å²	19	50.1 Å²	50.1	16%	0.157	28%	0.283	C	S	.	.			trans	-120	154.8	177.5	0	0	0	0	0	112.1	F895 W904	F895-A915 HydrophobicContact CD1-CB 3.72Å; F895-A915 HydrophobicContact CE1-CB 3.66Å; W904-A915 HydrophobicContact CB-CB 4.22Å; W904-A915 PolarHBondContact O-N 2.75Å
916	S	93.3	Very high	94.9	Very high	49 Å²	49	49.3 Å²	49.3	34%	0.343	28%	0.28	S	S	.	.			trans	-97.5	156.6	167.2	84.6	0	0	0	0	111.4	D918 Q919	S916-D918 WeakPolarHBondContact CB-OD2 3.41Å; S916-D918 PolarHBondContact O-N 2.95Å; S916-D918 PolarHBondContact OG-OD2 2.83Å; S916-Q919 PolarHBondContact O-N 3.01Å; S916-Q919 VanDerWaalsContact O-N 3.14Å
917	E	92.1	Very high	94.9	Very high	66 Å²	66	47.4 Å²	47.4	31%	0.308	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-61.4	-30	179.1	-72.8	-163.4	165.1	0	0	111.9	I856 N857 K897 W904 Q919 I920	I856-E917 HydrophobicContact CD1-CB 3.73Å; I856-E917 HydrophobicContact CD1-CG 4.39Å; I856-E917 WeakPolarHBondContact CD1-O 3.49Å; I856-E917 HydrophobicContact CG2-CG 4.31Å; N857-E917 PolarHBondContact ND2-OE2 2.82Å; K897-E917 IonicContact NZ-OE1 2.75Å; K897-E917 PolarHBondContact NZ-OE1 3.28Å; W904-E917 HydrophobicContact CG-CG 4.38Å; W904-E917 PolarHBondContact NE1-OE1 3.24Å; E917-Q919 PolarHBondContact O-N 2.75Å; E917-I920 HydrophobicContact CG-CD1 4.36Å; E917-I920 PolarHBondContact O-N 2.92Å
918	D	90.7	Very high	95	Very high	144 Å²	144	47.2 Å²	47.2	77%	0.77	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-62.5	-23.2	176.9	-37.1	-85.6	0	0	0	114.1	S916	S916-D918 WeakPolarHBondContact CB-OD2 3.41Å; S916-D918 PolarHBondContact O-N 2.95Å; S916-D918 PolarHBondContact OG-OD2 2.83Å
919	Q	91.8	Very high	95.1	Very high	107 Å²	107	44.8 Å²	44.8	50%	0.5	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-83.6	-16.4	-178	-64.5	173.7	-41.2	0	0	113	F895 S916 E917	F895-Q919 HydrophobicContact CE1-CB 4.3Å; F895-Q919 HydrophobicContact CZ-CB 4.09Å; S916-Q919 PolarHBondContact O-N 3.01Å; S916-Q919 VanDerWaalsContact O-N 3.14Å; E917-Q919 PolarHBondContact O-N 2.75Å
920	I	95.1	Very high	95.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-42.8	-168.3	-54.9	176.5	0	0	0	111.5	F854 I856 L877 V880 F895 W904 E917 S922	F854-I920 HydrophobicContact CE2-CG2 4.17Å; F854-I920 HydrophobicContact CZ-CG2 4.37Å; I856-I920 HydrophobicContact CD1-CB 4.34Å; I856-I920 HydrophobicContact CD1-CD1 4.36Å; L877-I920 HydrophobicContact CD2-CG2 3.85Å; V880-I920 HydrophobicContact CB-CG2 4.4Å; V880-I920 HydrophobicContact CG2-CG2 3.7Å; F895-I920 HydrophobicContact CB-CG1 4.47Å; F895-I920 HydrophobicContact CD1-CG1 4.31Å; F895-I920 HydrophobicContact CD2-CB 4.43Å; F895-I920 HydrophobicContact CD2-CG1 4.35Å; F895-I920 HydrophobicContact CD2-CG2 4.25Å; F895-I920 HydrophobicContact CG-CG1 4.15Å; W904-I920 HydrophobicContact CB-CD1 4.44Å; W904-I920 HydrophobicContact CD2-CD1 3.31Å; W904-I920 VanDerWaalsContact CE2-CD1 3.45Å; W904-I920 HydrophobicContact CE3-CD1 3.56Å; W904-I920 HydrophobicContact CG-CD1 3.74Å; W904-I920 HydrophobicContact CH2-CD1 4.08Å; W904-I920 HydrophobicContact CZ2-CD1 3.84Å; W904-I920 HydrophobicContact CZ3-CD1 3.94Å; E917-I920 HydrophobicContact CG-CD1 4.36Å; E917-I920 PolarHBondContact O-N 2.92Å; I920-S922 PolarHBondContact O-N 3.41Å
921	V	96.3	Very high	95.3	Very high	46 Å²	46	42.1 Å²	42.1	28%	0.279	24%	0.239	S	C	.	.	S	Bend	trans	-78.4	85.3	-176.6	-174	0	0	0	0	110.2	F854 I856	F854-V921 HydrophobicContact CD1-CG1 4.29Å; F854-V921 HydrophobicContact CD2-CG2 4.26Å; F854-V921 HydrophobicContact CE1-CB 4.5Å; F854-V921 HydrophobicContact CE1-CG1 4.18Å; F854-V921 HydrophobicContact CE2-CG2 4Å; F854-V921 HydrophobicContact CZ-CB 4.37Å; F854-V921 HydrophobicContact CZ-CG2 4.18Å; F854-V921 WeakPolarHBondContact O-CG2 3.44Å; I856-V921 HydrophobicContact CD1-CG2 4.09Å; I856-V921 HydrophobicContact CG1-CG2 4.06Å
922	S	94.4	Very high	95.3	Very high	29 Å²	29	40.8 Å²	40.8	20%	0.203	22%	0.224	C	C	.	.	S	Bend	trans	-128.7	169.1	-174.2	79.7	0	0	0	0	113.1	I920 A924 A925	I920-S922 PolarHBondContact O-N 3.41Å; S922-A924 PolarHBondContact O-N 2.87Å; S922-A924 PolarHBondContact OG-N 2.66Å; S922-A925 PolarHBondContact OG-N 2.85Å
923	K	93	Very high	94.9	Very high	122 Å²	122	41.4 Å²	41.4	53%	0.53	22%	0.224	S	C	.	.	S	Bend	trans	-65.3	-22.4	170.2	-67.4	176	175.5	177.8	0	113.2	R837 D849 L851	R837-K923 PolarHBondContact NE-O 3.36Å; R837-K923 PolarHBondContact NH2-O 3.47Å; D849-K923 WeakPolarHBondContact O-CD 3.07Å; L851-K923 HydrophobicContact CB-CG 4.07Å; L851-K923 HydrophobicContact CD1-CG 4.32Å
924	A	94.8	Very high	94.1	Very high	8 Å²	8	42.6 Å²	42.6	7%	0.066	23%	0.227	C	C	.	.	S	Bend	trans	-78.1	-27.1	-177.3	0	0	0	0	0	112.2	N882 H883 Y884 S922 Y926	N882-A924 CarbonylContact C-O 3.47Å; N882-A924 WeakPolarHBondContact CA-O 3.36Å; N882-A924 HydrophobicContact CB-CB 4.08Å; H883-A924 PolarHBondContact N-O 3.36Å; Y884-A924 HydrophobicContact CD1-CB 3.71Å; Y884-A924 HydrophobicContact CE1-CB 3.34Å; Y884-A924 HydrophobicContact CG-CB 4.43Å; S922-A924 PolarHBondContact O-N 2.87Å; S922-A924 PolarHBondContact OG-N 2.66Å; A924-Y926 PolarHBondContact O-N 3.42Å
925	A	97.1	Very high	92.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	123.7	178.9	0	0	0	0	0	111.5	R837 F854 V880 S922 L928	R837-A925 VanDerWaalsContact CZ-O 3.23Å; R837-A925 PolarHBondContact NE-O 2.91Å; R837-A925 PolarHBondContact NH2-O 2.75Å; F854-A925 HydrophobicContact CE1-CB 3.51Å; F854-A925 HydrophobicContact CZ-CB 3.64Å; V880-A925 HydrophobicContact CG1-CB 3.65Å; S922-A925 PolarHBondContact OG-N 2.85Å; A925-L928 HydrophobicContact CB-CD2 4.18Å
926	Y	97.1	Very high	90.7	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	-44.5	-166.7	178.9	-125.9	0	0	0	112.9	D380 C381 Q382 H834 L835 R837 F838 S881 H883 Y892 A924	D380-Y926 WeakPolarHBondContact OD1-CE1 3.21Å; D380-Y926 PolarHBondContact OD1-OH 3.5Å; D380-Y926 PolarHBondContact OD2-OH 2.9Å; C381-Y926 HydrophobicContact CB-CD1 4.5Å; C381-Y926 HydrophobicContact CB-CE1 4.35Å; Q382-Y926 HydrophobicContact CB-CE1 4.36Å; H834-Y926 AromaticContact CD2-CE2 3.54Å; H834-Y926 AromaticContact CD2-CZ 3.72Å; H834-Y926 AromaticContact NE2-CE2 3.34Å; H834-Y926 VanDerWaalsContact NE2-CE2 3.34Å; H834-Y926 WeakPolarHBondContact NE2-CE2 3.41Å; H834-Y926 AromaticContact NE2-CZ 3.46Å; H834-Y926 PolarHBondContact NE2-OH 2.85Å; H834-Y926 VanDerWaalsContact NE2-OH 3.17Å; L835-Y926 PolarHBondContact N-O 2.64Å; L835-Y926 WeakPolarHBondContact O-CD2 3.39Å; L835-Y926 WeakPolarHBondContact O-CE2 3.48Å; R837-Y926 HydrophobicContact CB-CD2 4.24Å; R837-Y926 HydrophobicContact CB-CE2 4.26Å; R837-Y926 HydrophobicContact CG-CD2 4.19Å; F838-Y926 HydrophobicContact CD2-CE2 4.05Å; F838-Y926 AromaticContact CD2-CZ 3.86Å; F838-Y926 WeakPolarHBondContact CD2-OH 3.42Å; F838-Y926 HydrophobicContact CE2-CE1 4.22Å; F838-Y926 HydrophobicContact CE2-CE2 4.01Å; F838-Y926 AromaticContact CE2-CZ 3.7Å; S881-Y926 WeakPolarHBondContact O-CB 3.33Å; S881-Y926 PolarHBondContact O-N 3.34Å; H883-Y926 HydrophobicContact CB-CG 4.5Å; Y892-Y926 AromaticContact CE1-CD1 3.85Å; Y892-Y926 HydrophobicContact CE1-CD1 3.85Å; Y892-Y926 HydrophobicContact CE1-CE1 4.07Å; A924-Y926 PolarHBondContact O-N 3.42Å
927	V	98.4	Very high	88	Confident	1 Å²	1	47 Å²	47	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	127	169.5	-170	0	0	0	0	109	Q382 L385 V832 V833 H834 V880 S881 F929	Q382-V927 HydrophobicContact CB-CG2 4.46Å; L385-V927 HydrophobicContact CD1-CB 4.4Å; L385-V927 HydrophobicContact CD1-CG1 4.12Å; L385-V927 HydrophobicContact CD1-CG2 4.32Å; V832-V927 HydrophobicContact CG1-CG1 3.57Å; V833-V927 WeakPolarHBondContact O-CA 3.43Å; H834-V927 HydrophobicContact CB-CG1 4.47Å; H834-V927 HydrophobicContact CB-CG2 4.26Å; V880-V927 CarbonylContact C-O 3.59Å; V880-V927 WeakPolarHBondContact CA-O 3.19Å; S881-V927 PolarHBondContact N-O 3.43Å; S881-V927 PolarHBondContact O-N 3.33Å; V927-F929 HydrophobicContact CG1-CD2 4.28Å; V927-F929 HydrophobicContact CG1-CE2 3.82Å
928	L	98.6	Very high	85.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	137.2	180	-45.8	177.4	0	0	0	109.3	L788 V833 F854 L877 V880 A925 Y930	L788-L928 HydrophobicContact CD1-CD1 4.18Å; L788-L928 HydrophobicContact CD2-CD1 4.17Å; V833-L928 HydrophobicContact CB-CB 4.32Å; V833-L928 PolarHBondContact N-O 2.8Å; V833-L928 PolarHBondContact O-N 2.75Å; F854-L928 HydrophobicContact CB-CD1 3.92Å; F854-L928 HydrophobicContact CD1-CD1 4.05Å; F854-L928 HydrophobicContact CD1-CD2 4.22Å; F854-L928 HydrophobicContact CD2-CD1 4Å; F854-L928 HydrophobicContact CD2-CD2 4.08Å; F854-L928 HydrophobicContact CE1-CD2 3.95Å; F854-L928 HydrophobicContact CE2-CD2 3.79Å; F854-L928 HydrophobicContact CG-CD1 3.73Å; F854-L928 HydrophobicContact CG-CD2 4.29Å; F854-L928 HydrophobicContact CZ-CD2 3.71Å; L877-L928 HydrophobicContact CD1-CB 3.98Å; V880-L928 HydrophobicContact CB-CD2 4.46Å; V880-L928 HydrophobicContact CG1-CD2 3.97Å; V880-L928 HydrophobicContact CG2-CD2 3.82Å; A925-L928 HydrophobicContact CB-CD2 4.18Å; L928-Y930 HydrophobicContact CB-CD2 4.05Å; L928-Y930 HydrophobicContact CB-CE2 3.64Å; L928-Y930 HydrophobicContact CD1-CE2 3.85Å; L928-Y930 HydrophobicContact CG-CE2 4.39Å
929	F	98.6	Very high	82.3	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.9	174.3	-77.7	-116.6	0	0	0	108.9	C306 L307 L385 F438 V832 I878 A879 V927	C306-F929 HydrophobicContact CB-CD1 4.33Å; C306-F929 HydrophobicContact CB-CD2 3.73Å; C306-F929 HydrophobicContact CB-CE1 4.11Å; C306-F929 HydrophobicContact CB-CE2 3.47Å; C306-F929 VanDerWaalsContact CB-CE2 3.47Å; C306-F929 HydrophobicContact CB-CG 4.18Å; C306-F929 HydrophobicContact CB-CZ 3.68Å; L307-F929 HydrophobicContact CD2-CE1 3.93Å; L307-F929 HydrophobicContact CD2-CZ 4.37Å; L307-F929 HydrophobicContact CG-CE1 4.43Å; L385-F929 HydrophobicContact CD1-CE2 4.03Å; L385-F929 HydrophobicContact CD1-CZ 4.01Å; L385-F929 HydrophobicContact CD2-CZ 3.97Å; F438-F929 HydrophobicContact CE1-CE1 4.46Å; V832-F929 HydrophobicContact CG1-CD2 4.44Å; V832-F929 HydrophobicContact CG1-CE1 4.46Å; V832-F929 HydrophobicContact CG1-CE2 4.02Å; V832-F929 HydrophobicContact CG1-CZ 4.02Å; V832-F929 HydrophobicContact CG2-CD1 3.75Å; V832-F929 HydrophobicContact CG2-CE1 3.57Å; V832-F929 HydrophobicContact CG2-CG 4.29Å; V832-F929 HydrophobicContact CG2-CZ 3.97Å; I878-F929 HydrophobicContact CD1-CB 4.37Å; I878-F929 HydrophobicContact CG1-CB 3.83Å; I878-F929 WeakPolarHBondContact CG1-O 3.43Å; I878-F929 PolarHBondContact N-O 3.26Å; A879-F929 HydrophobicContact CB-CB 4.05Å; A879-F929 HydrophobicContact CB-CG 4.42Å; A879-F929 PolarHBondContact N-O 2.81Å; A879-F929 PolarHBondContact O-N 2.66Å; V927-F929 HydrophobicContact CG1-CD2 4.28Å; V927-F929 HydrophobicContact CG1-CE2 3.82Å
930	Y	98.1	Very high	79.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.7	-176.5	-81.5	-81.3	0	0	0	111	L788 V830 L831 V833 P855 L859 N876 L877 L928	L788-Y930 HydrophobicContact CD2-CE2 4.15Å; V830-Y930 CarbonylContact C-O 3.53Å; V830-Y930 VanDerWaalsContact CA-O 3.25Å; V830-Y930 WeakPolarHBondContact CA-O 3.37Å; L831-Y930 PolarHBondContact N-O 3.4Å; L831-Y930 PolarHBondContact O-N 3.46Å; V833-Y930 HydrophobicContact CG2-CD2 4.25Å; P855-Y930 WeakPolarHBondContact O-CE1 3.2Å; P855-Y930 PolarHBondContact O-OH 2.9Å; L859-Y930 HydrophobicContact CB-CD1 4.25Å; L859-Y930 HydrophobicContact CB-CE1 3.9Å; L859-Y930 HydrophobicContact CD2-CD1 3.84Å; L859-Y930 HydrophobicContact CD2-CD2 4.05Å; L859-Y930 HydrophobicContact CD2-CE1 3.59Å; L859-Y930 HydrophobicContact CD2-CE2 3.79Å; L859-Y930 HydrophobicContact CD2-CG 4.06Å; L859-Y930 HydrophobicContact CG-CE1 4.38Å; N876-Y930 CarbonylContact O-C 3.59Å; N876-Y930 WeakPolarHBondContact O-CA 3.38Å; L877-Y930 HydrophobicContact CB-CD1 4.15Å; L877-Y930 HydrophobicContact CB-CE1 3.85Å; L877-Y930 HydrophobicContact CD1-CD1 4.18Å; L877-Y930 HydrophobicContact CD1-CD2 4.07Å; L877-Y930 HydrophobicContact CD1-CE1 3.81Å; L877-Y930 HydrophobicContact CD1-CE2 3.7Å; L877-Y930 HydrophobicContact CD1-CG 4.3Å; L877-Y930 HydrophobicContact CG-CE1 4.44Å; L928-Y930 HydrophobicContact CB-CD2 4.05Å; L928-Y930 HydrophobicContact CB-CE2 3.64Å; L928-Y930 HydrophobicContact CD1-CE2 3.85Å; L928-Y930 HydrophobicContact CG-CE2 4.39Å
931	Q	95.9	Very high	76.6	Confident	24 Å²	24	52 Å²	52	11%	0.112	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	136.2	173.5	-175.8	175.5	-7.5	0	0	111.4	V830 Y875 N876 I878 T935	V830-Q931 HydrophobicContact CG2-CG 4.35Å; Y875-Q931 CarbonylContact C-O 3.57Å; Y875-Q931 WeakPolarHBondContact CA-O 3.46Å; Y875-Q931 VanDerWaalsContact CD1-C 3.46Å; N876-Q931 PolarHBondContact N-O 3.22Å; N876-Q931 PolarHBondContact O-N 2.75Å; I878-Q931 HydrophobicContact CD1-CB 4.3Å; I878-Q931 HydrophobicContact CG2-CB 3.82Å; Q931-T935 PolarHBondContact NE2-OG1 3.44Å
932	R	92.9	Very high	74.1	Confident	38 Å²	38	52.5 Å²	52.5	14%	0.143	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	131.2	-176.1	-147.1	175	68.3	-151.8	2.2	111.6	L827 P829 L874 Y875 D934 T935	L827-R932 PolarHBondContact O-NH1 3.41Å; P829-R932 PolarHBondContact O-N 3.09Å; L874-R932 WeakPolarHBondContact O-CA 3.38Å; L874-R932 WeakPolarHBondContact O-CG 3.3Å; Y875-R932 HydrophobicContact CD1-CB 3.85Å; Y875-R932 HydrophobicContact CD1-CG 4.12Å; Y875-R932 HydrophobicContact CD2-CG 4.14Å; Y875-R932 HydrophobicContact CE1-CB 3.52Å; Y875-R932 HydrophobicContact CE1-CG 3.75Å; Y875-R932 HydrophobicContact CE2-CB 4.48Å; Y875-R932 HydrophobicContact CE2-CG 3.78Å; Y875-R932 HydrophobicContact CG-CB 4.44Å; Y875-R932 HydrophobicContact CG-CG 4.3Å; Y875-R932 WeakPolarHBondContact OH-CD 3.47Å; R932-D934 WeakPolarHBondContact CB-OD1 3.33Å; R932-D934 WeakPolarHBondContact CG-OD1 3.23Å; R932-D934 IonicContact CZ-OD1 2.75Å; R932-D934 IonicContact CZ-OD2 2.79Å; R932-D934 VanDerWaalsContact NE-CG 3.34Å; R932-D934 IonicContact NE-OD1 3.2Å; R932-D934 PolarHBondContact NE-OD1 3.29Å; R932-D934 IonicContact NE-OD2 3.98Å; R932-D934 PolarHBondContact NE-OD2 2.87Å; R932-D934 IonicContact NH2-OD1 2.77Å; R932-D934 IonicContact NH2-OD2 2.73Å; R932-D934 PolarHBondContact NH2-OD2 2.98Å; R932-D934 PolarHBondContact O-N 2.89Å; R932-T935 HydrophobicContact CB-CG2 4.36Å; R932-T935 PolarHBondContact O-N 3.35Å; R932-T935 VanDerWaalsContact O-N 3.16Å; R932-T935 PolarHBondContact O-OG1 3.14Å
933	Q	87.6	Confident	71.5	Confident	56 Å²	56	54.3 Å²	54.3	26%	0.262	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-67.1	-31.3	-168	-67.9	-175.7	1	0	0	114.4	D858 L874 N876 T935 F936	D858-Q933 PolarHBondContact OD1-NE2 2.74Å; L874-Q933 HydrophobicContact CB-CB 4.38Å; L874-Q933 HydrophobicContact CB-CG 4.09Å; L874-Q933 PolarHBondContact O-N 2.68Å; N876-Q933 PolarHBondContact ND2-NE2 3.02Å; N876-Q933 PolarHBondContact OD1-NE2 3.43Å; Q933-T935 PolarHBondContact O-N 3.41Å; Q933-F936 WeakPolarHBondContact O-CB 3.26Å; Q933-F936 PolarHBondContact O-N 3.1Å
934	D	78.4	Confident	68.9	Low	77 Å²	77	50.8 Å²	50.8	41%	0.412	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-62.9	-23	175.5	66.4	-42	0	0	0	113.2	R932 F936 S937	R932-D934 WeakPolarHBondContact CB-OD1 3.33Å; R932-D934 WeakPolarHBondContact CG-OD1 3.23Å; R932-D934 IonicContact CZ-OD1 2.75Å; R932-D934 IonicContact CZ-OD2 2.79Å; R932-D934 VanDerWaalsContact NE-CG 3.34Å; R932-D934 IonicContact NE-OD1 3.2Å; R932-D934 PolarHBondContact NE-OD1 3.29Å; R932-D934 IonicContact NE-OD2 3.98Å; R932-D934 PolarHBondContact NE-OD2 2.87Å; R932-D934 IonicContact NH2-OD1 2.77Å; R932-D934 IonicContact NH2-OD2 2.73Å; R932-D934 PolarHBondContact NH2-OD2 2.98Å; R932-D934 PolarHBondContact O-N 2.89Å; D934-F936 VanDerWaalsContact C-N 3.31Å; D934-S937 PolarHBondContact O-OG 3.19Å
935	T	68.6	Low	66	Low	23 Å²	23	53.2 Å²	53.2	14%	0.141	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-82.5	-6.4	174.9	74	0	0	0	0	113.6	P829 Q931 R932 Q933	P829-T935 HydrophobicContact CB-CG2 4.04Å; P829-T935 HydrophobicContact CG-CG2 4.44Å; Q931-T935 PolarHBondContact NE2-OG1 3.44Å; R932-T935 HydrophobicContact CB-CG2 4.36Å; R932-T935 PolarHBondContact O-N 3.35Å; R932-T935 VanDerWaalsContact O-N 3.16Å; R932-T935 PolarHBondContact O-OG1 3.14Å; Q933-T935 PolarHBondContact O-N 3.41Å
936	F	52.9	Low	63.2	Low	181 Å²	181	63.5 Å²	63.5	79%	0.794	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-29.5	179.5	-159.8	-89.8	0	0	0	112.1	Q933 D934	Q933-F936 WeakPolarHBondContact O-CB 3.26Å; Q933-F936 PolarHBondContact O-N 3.1Å; D934-F936 VanDerWaalsContact C-N 3.31Å
937	S	34.9	Very low	60.3	Low	65 Å²	65	70 Å²	70	46%	0.455	38%	0.375	S	S	.	.	S	Bend	trans	-80.9	124.7	164	46	0	0	0	0	110	D934 T939	D934-S937 PolarHBondContact O-OG 3.19Å; S937-T939 PolarHBondContact O-N 3.16Å; S937-T939 PolarHBondContact O-OG1 2.66Å; S937-T939 PolarHBondContact OG-OG1 2.83Å
938	G	36.3	Very low	57.2	Low	81 Å²	81	74.7 Å²	74.7	84%	0.835	40%	0.403	S	S	*	.			trans	-68.7	72.4	177.6	0	0	0	0	0	113.1
939	T	27.3	Very low	54.1	Low	108 Å²	108	82.6 Å²	82.6	66%	0.663	44%	0.438	S	S	*	.			trans	-132.7	55.5	-171	51.7	0	0	0	0	112.9	S937	S937-T939 PolarHBondContact O-N 3.16Å; S937-T939 PolarHBondContact O-OG1 2.66Å; S937-T939 PolarHBondContact OG-OG1 2.83Å
940	G	33	Very low	50.9	Low	38 Å²	38	86 Å²	86	39%	0.392	47%	0.473	S	S	.	.	S	Bend	trans	76.6	38.7	147.4	0	0	0	0	0	118.3	D945	G940-D945 VanDerWaalsContact CA-OD2 3.26Å; G940-D945 WeakPolarHBondContact CA-OD2 3.23Å; G940-D945 PolarHBondContact N-OD2 3.3Å
941	F	34.3	Very low	47.6	Very low	193 Å²	193	90.3 Å²	90.3	85%	0.846	51%	0.508	S	S	*	.			trans	-120.6	9.4	165.6	-120.6	-81.1	0	0	0	115.3
942	F	44.2	Very low	44.5	Very low	57 Å²	57	94.4 Å²	94.4	25%	0.25	54%	0.54	C	S	.	.	S	Bend	trans	-92	136.3	162.6	-64.9	-74.3	0	0	0	109.7	P312 L944 D945	P312-F942 HydrophobicContact CB-CE1 4.1Å; P312-F942 HydrophobicContact CB-CZ 4.15Å; P312-F942 HydrophobicContact CG-CE1 4.43Å; P312-F942 HydrophobicContact CG-CZ 4.06Å; F942-L944 HydrophobicContact CB-CB 4.35Å; F942-L944 PolarHBondContact O-N 2.84Å; F942-D945 PolarHBondContact O-N 2.92Å; F942-D945 VanDerWaalsContact O-N 3.11Å
943	P	39	Very low	41.6	Very low	68 Å²	68	97.6 Å²	97.6	44%	0.442	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-55	-25.5	172	-27.1	36	0	0	0	113.4	D945 R946	P943-D945 PolarHBondContact O-N 2.73Å; P943-R946 WeakPolarHBondContact O-CB 3.36Å; P943-R946 PolarHBondContact O-N 3.13Å
944	L	38.7	Very low	38.9	Very low	47 Å²	47	99.5 Å²	99.5	25%	0.246	60%	0.599	C	S	.	*	G	3₁₀ helix	trans	-64.6	-11.4	177.9	-60.5	174.3	0	0	0	115.2	Y316 K321 I433 F942	Y316-L944 HydrophobicContact CD2-CD1 4.46Å; K321-L944 HydrophobicContact CD-CD1 4.05Å; K321-L944 HydrophobicContact CD-CD2 4.03Å; I433-L944 HydrophobicContact CD1-CD1 4.23Å; F942-L944 HydrophobicContact CB-CB 4.35Å; F942-L944 PolarHBondContact O-N 2.84Å
945	D	33.4	Very low	36.6	Very low	59 Å²	59	102.8 Å²	102.8	32%	0.316	62%	0.623	S	S	.	*	G	3₁₀ helix	trans	-87.5	-2	175.1	-87.5	-17.5	0	0	0	113.6	G940 F942 P943 T948	G940-D945 VanDerWaalsContact CA-OD2 3.26Å; G940-D945 WeakPolarHBondContact CA-OD2 3.23Å; G940-D945 PolarHBondContact N-OD2 3.3Å; F942-D945 PolarHBondContact O-N 2.92Å; F942-D945 VanDerWaalsContact O-N 3.11Å; P943-D945 PolarHBondContact O-N 2.73Å; D945-T948 PolarHBondContact O-OG1 2.99Å
946	R	37.9	Very low	34.6	Very low	216 Å²	216	105 Å²	105	82%	0.815	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-38	-174	-128.4	175.5	168.9	175	-5.1	113.3	P943	P943-R946 WeakPolarHBondContact O-CB 3.36Å; P943-R946 PolarHBondContact O-N 3.13Å
947	D	37.4	Very low	33.4	Very low	138 Å²	138	103.1 Å²	103.1	74%	0.738	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-79.1	-26.2	-170.3	-58.2	-51.4	0	0	0	113.6	K949 G950	D947-K949 VanDerWaalsContact C-N 3.33Å; D947-K949 PolarHBondContact O-N 3.39Å; D947-G950 PolarHBondContact O-N 3.49Å
948	T	34	Very low	33.4	Very low	99 Å²	99	105.4 Å²	105.4	61%	0.607	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-73.1	-23.1	-179.7	52	0	0	0	0	113.4	D945 G950	D945-T948 PolarHBondContact O-OG1 2.99Å; T948-G950 VanDerWaalsContact C-N 3.33Å; T948-G950 PolarHBondContact O-N 3.44Å
949	K	32.2	Very low	33	Very low	166 Å²	166	109.4 Å²	109.4	72%	0.722	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-82.3	-5.2	179.5	-72.5	179.8	179	170.1	0	114.3	D947	D947-K949 VanDerWaalsContact C-N 3.33Å; D947-K949 PolarHBondContact O-N 3.39Å
950	G	30.8	Very low	32.9	Very low	72 Å²	72	113.2 Å²	113.2	74%	0.742	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-82.3	-11.3	177.4	0	0	0	0	0	115.6	D947 T948	D947-G950 PolarHBondContact O-N 3.49Å; T948-G950 VanDerWaalsContact C-N 3.33Å; T948-G950 PolarHBondContact O-N 3.44Å
951	A	30.3	Very low	32.6	Very low	90 Å²	90	115.7 Å²	115.7	74%	0.744	69%	0.69	S	S	*	*	S	Bend	trans	-113.9	3.8	-158.7	0	0	0	0	0	116.8
952	S	30.8	Very low	32.3	Very low	110 Å²	110	113.3 Å²	113.3	77%	0.769	69%	0.686	S	S	*	*			trans	-128.7	39	-171.3	57.5	0	0	0	0	115.5
953	A	30.6	Very low	31.6	Very low	106 Å²	106	119.4 Å²	119.4	88%	0.876	72%	0.715	S	S	*	*			trans	-129.1	59.5	174.7	0	0	0	0	0	112.5
954	A	31.4	Very low	31.1	Very low	95 Å²	95	123 Å²	123	79%	0.785	73%	0.731	S	S	*	*			trans	-137.3	81.9	-176.8	0	0	0	0	0	113.4
955	T	31.2	Very low	30.7	Very low	146 Å²	146	124.9 Å²	124.9	90%	0.896	75%	0.748	S	S	*	*			trans	-150.4	131.5	161.1	10	0	0	0	0	108.2
956	G	26.4	Very low	30.5	Very low	71 Å²	71	128.4 Å²	128.4	73%	0.732	77%	0.767	S	S	*	*			trans	-75.9	-169.5	-178.9	0	0	0	0	0	113.1
957	V	27	Very low	30.1	Very low	140 Å²	140	124 Å²	124	85%	0.848	76%	0.759	S	S	*	*			cis	-171.5	158.2	30.2	172	0	0	0	0	106.8
958	P	34.3	Very low	29.7	Very low	113 Å²	113	123.6 Å²	123.6	73%	0.734	76%	0.757	S	S	*	*			cis	-128.5	-179	-19.4	38.1	-20	0	0	0	115.7
959	L	27.9	Very low	29.6	Very low	166 Å²	166	125.3 Å²	125.3	87%	0.869	76%	0.763	S	S	*	*			trans	-14.1	134.7	153.2	-59.3	161.4	0	0	0	121.9
960	E	26.6	Very low	29.6	Very low	187 Å²	187	125 Å²	125	87%	0.874	77%	0.769	S	S	*	*			trans	-169.5	110.5	134	-100.7	170.8	-166.6	0	0	104.2
961	S	26.7	Very low	29.6	Very low	90 Å²	90	128.3 Å²	128.3	63%	0.629	77%	0.769	S	S	*	*				99.6	146.1	63	65.8	0	0	0	0	112.5
962	D	28	Very low	29.7	Very low	143 Å²	143	130.8 Å²	130.8	77%	0.765	77%	0.769	S	S	*	*			trans	66.5	119.5	176.8	-42.1	-28.4	0	0	0	114.7
963	E	29.5	Very low	29.8	Very low	185 Å²	185	133.3 Å²	133.3	86%	0.864	77%	0.768	S	S	*	*			cis	79.4	138.3	43.8	-63.4	-160.5	150.8	0	0	115.9
964	D	29.1	Very low	29.8	Very low	144 Å²	144	134.4 Å²	134.4	77%	0.77	76%	0.76	S	S	*	*			trans	61.8	98.2	163.5	-76.2	1.6	0	0	0	123.2
965	S	28.4	Very low	29.8	Very low	87 Å²	87	137.2 Å²	137.2	61%	0.608	76%	0.756	S	S	*	*				96	150.5	106.2	80.7	0	0	0	0	121.1
966	N	29.4	Very low	29.9	Very low	133 Å²	133	136.2 Å²	136.2	71%	0.711	75%	0.745	S	S	*	*			trans	66.8	152.8	151.1	-58.4	-8.5	0	0	0	118.4
967	D	29.9	Very low	30.1	Very low	124 Å²	124	138.1 Å²	138.1	66%	0.663	75%	0.746	S	S	*	*			cis	-167.8	171.8	-25.5	-108.8	-21.5	0	0	0	108.6
968	N	30.2	Very low	30.4	Very low	128 Å²	128	139 Å²	139	68%	0.684	74%	0.743	S	S	*	*			trans	65.4	113.1	159.3	-57.4	-46.5	0	0	0	118.8
969	D	31.4	Very low	30.3	Very low	136 Å²	136	141 Å²	141	73%	0.727	74%	0.742	S	S	*	*				32	125.2	102.6	-52.5	-2.8	0	0	0	117.7
970	N	31.1	Very low	30.9	Very low	159 Å²	159	138.6 Å²	138.6	85%	0.85	74%	0.735	S	S	*	*				-163.8	149.5	85.4	-100.2	-84.1	0	0	0	113.2
971	D	32.2	Very low	31.6	Very low	141 Å²	141	140.7 Å²	140.7	75%	0.754	75%	0.752	S	S	*	*			trans	-80.7	-179.8	170.1	-95.2	-52	0	0	0	112.1
972	I	32.8	Very low	31.8	Very low	143 Å²	143	143.2 Å²	143.2	73%	0.733	76%	0.758	S	S	*	*			trans	73.7	144.5	159	-65.9	142.1	0	0	0	114.8
973	E	32.2	Very low	32	Very low	162 Å²	162	143.2 Å²	143.2	76%	0.757	76%	0.758	S	S	*	*			cis	-137	132.1	4.4	-135.7	131.8	-139.5	0	0	106.5
974	N	29.7	Very low	32.1	Very low	130 Å²	130	140.9 Å²	140.9	70%	0.695	75%	0.752	S	S	*	*				62.7	124.2	83.6	-169.5	29.3	0	0	0	115.9
975	E	32.8	Very low	32.3	Very low	153 Å²	153	140.7 Å²	140.7	72%	0.715	75%	0.751	S	S	*	*			trans	164.6	106.4	132.1	-85.5	-118.1	106.1	0	0	114.3
976	N	32.5	Very low	32.6	Very low	125 Å²	125	144.1 Å²	144.1	67%	0.668	76%	0.76	S	S	*	*				67.3	153.4	124.4	-82.5	-41.4	0	0	0	125.8
977	C	30.6	Very low	32.8	Very low	111 Å²	111	144.8 Å²	144.8	75%	0.75	76%	0.763	S	S	*	*			trans	69.6	144.8	164	-71.8	0	0	0	0	119.4
978	M	33.3	Very low	33	Very low	158 Å²	158	146.3 Å²	146.3	78%	0.778	77%	0.77	S	S	*	*			cis	167.3	142.2	-24	-118.5	-162.6	-164.6	0	0	107.1
979	H	32.1	Very low	33.2	Very low	155 Å²	155	147.7 Å²	147.7	72%	0.718	78%	0.776	S	S	*	*			trans	122.1	130.6	147.2	-80.7	18.8	0	0	0	118.1
980	T	40.6	Very low	33.3	Very low	116 Å²	116	148.7 Å²	148.7	71%	0.712	78%	0.781	S	S	*	*			trans	45.9	132.5	143.6	60.3	0	0	0	0	120.2
981	N	40.2	Very low	33.5	Very low	231 Å²	231	147.7 Å²	147.7	100%	1.235	77%	0.774	S	S	*	*			cis	-131	0	14.3	-78.5	-49.7	0	0	0	111.9

Retrieved 981 of 981 residues in 502.8 ms (Link to these results)

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