A0A077ZDX6_TRITR Loading...

Fer4 12 and DUF3029 and Radical SAM domain contai ning protein

AlphaFold DB , UniProt , Accession A0A077ZDX6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 875 aa.

						>A0A077ZDX6_TRITR|A0A077ZDX6
MPTSHENALQQRCQQIVTSPVLSPEQKRHFLALEAENNLPYPQLPAEARRALDEGVICDMFEGHAPYKPRYVLPDYARFLANGSEWLELEGAKDLDDALSLLTILYHHVPSVTSMPVYLGQLDALLQPYVRILTQDEIDVRIKRFWRYLDRTLPDAFMHANIGPSDSPITRAILRADAELKQVSPNLTFIYDPEITPDDLLLEVAKNICECSKPHIANGPVHDKIFTKGGYGIVSCYNSLPLAGGGSTLVRLNLKAIAERSESLDDFFTRTLPHYCQQQIAIIDARCEFLYQQSHFFENSFLVKEGLINPERFVPMFGMYGLAEAVNLLCEKEGIAARYGKEAAANEVGYRISAQLAEFVANTPVKYGWQKRAMLHAQSGISSDIGTTPGARLPYGDEPDPITHLQTVAPHHAYYYSGISDILTLDETIKRNPQALVQLCLGAFKAGMREFTANVSGNDLVRVTGYMVRLSDLEKYRAEGSRTNTTWLGEEAARNTLSKIIPFSCVDGPGSRLALFLQGCNLRCKNCHNPWTMGRCNHCGECVPQCPHQALQIVDGKVVWNAAVCEQCDTCLKRCPQHATPMAQSMSVDEVLSHVRKAVLFIEGITVSGGEATTQLPFVVALFTAIKNDPQLRHLTCLVDSNGMLSETGWEKLLPVCDGAMLDLKAWGSECHQQLTGRDNQQIKRSICLLAERGKLAELRLLVIPGQVDYLQHIEELAAFIKGLGDVPVRLNAFHAHGVYGEAQSWASATPEDVEPPAVQTVQPVAGCQKIRGQHQHAANRSPADRSVSPVSVVRRVTTAASQIADRRRRDPDRSPPPPPPSPDAFPAPAVADQETHRYVFPTSPDATPMRHTAVDIFPLTPARGQNFPPLSPEQ
					

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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	28.7	Very low	62.1	Low	221 Å²	221	102.5 Å²	102.5	100%	1.089	55%	0.546	S	S	*	.				0	98.2	0	-72	-157.1	174.6	0	0	108.6
2	P	37.5	Very low	64.1	Low	99 Å²	99	98.9 Å²	98.9	64%	0.643	52%	0.519	S	S	*	.			trans	-94.3	90.2	163.9	31.7	-18.9	0	0	0	107.1
3	T	43.4	Very low	66	Low	96 Å²	96	93.8 Å²	93.8	59%	0.589	50%	0.496	S	S	*	.			trans	-133.4	-1.2	-172.4	45.1	0	0	0	0	116.3
4	S	54.9	Low	67.8	Low	85 Å²	85	95.1 Å²	95.1	59%	0.594	50%	0.498	S	S	*	.	S	Bend	trans	-105.3	-52.8	174.4	65.2	0	0	0	0	113.8	N7 A8	S4-N7 PolarHBondContact O-N 3.46Å; S4-A8 PolarHBondContact O-N 3.07Å
5	H	50.4	Low	69.1	Low	156 Å²	156	96.2 Å²	96.2	72%	0.722	50%	0.499	S	S	*	.	H	α-helix	trans	-72.4	-47.8	-172.7	-87.2	-82.2	0	0	0	114.3	N7 A8 L9	H5-N7 PolarHBondContact O-N 3.36Å; H5-A8 PolarHBondContact O-N 3.29Å; H5-A8 VanDerWaalsContact O-N 3.12Å; H5-L9 PolarHBondContact O-N 3.46Å; H5-L9 VanDerWaalsContact O-N 3.17Å
6	E	57.6	Low	70.2	Confident	125 Å²	125	91.4 Å²	91.4	58%	0.584	47%	0.474	S	S	*	.	H	α-helix	trans	-59.6	-34.6	176.1	-74.8	-179.5	169.3	0	0	111.2	Q10	E6-Q10 WeakPolarHBondContact O-CB 3.5Å; E6-Q10 VanDerWaalsContact O-CG 3.24Å; E6-Q10 WeakPolarHBondContact O-CG 3.32Å; E6-Q10 PolarHBondContact O-N 3.34Å; E6-Q10 VanDerWaalsContact O-N 3.13Å
7	N	72.3	Confident	71.4	Confident	76 Å²	76	89.8 Å²	89.8	41%	0.406	47%	0.469	S	S	.	.	H	α-helix	trans	-69.9	-38.4	177.4	-157.9	-7.5	0	0	0	111.7	S4 H5 Q10 Q11	S4-N7 PolarHBondContact O-N 3.46Å; H5-N7 PolarHBondContact O-N 3.36Å; N7-Q10 PolarHBondContact O-N 3.29Å; N7-Q11 WeakPolarHBondContact O-CB 3.2Å; N7-Q11 WeakPolarHBondContact O-CG 3.38Å; N7-Q11 PolarHBondContact O-N 3.43Å; N7-Q11 PolarHBondContact OD1-NE2 3.03Å
8	A	80.1	Confident	72.6	Confident	26 Å²	26	89.7 Å²	89.7	22%	0.215	47%	0.473	C	S	.	.	H	α-helix	trans	-66.1	-45.5	178.3	0	0	0	0	0	112.6	S4 H5 Q11 R12	S4-A8 PolarHBondContact O-N 3.07Å; H5-A8 PolarHBondContact O-N 3.29Å; H5-A8 VanDerWaalsContact O-N 3.12Å; A8-Q11 PolarHBondContact O-N 2.87Å; A8-R12 PolarHBondContact O-N 3.04Å; A8-R12 PolarHBondContact O-NH1 3.18Å
9	L	83.3	Confident	73.1	Confident	36 Å²	36	86.1 Å²	86.1	19%	0.188	46%	0.456	C	S	.	.	H	α-helix	trans	-60.8	-47.7	174.7	176.9	67.1	0	0	0	111.1	H5 Q11 R12 C13 E34 N38	H5-L9 PolarHBondContact O-N 3.46Å; H5-L9 VanDerWaalsContact O-N 3.17Å; L9-Q11 VanDerWaalsContact C-N 3.26Å; L9-Q11 PolarHBondContact O-N 2.95Å; L9-R12 PolarHBondContact O-N 3.37Å; L9-C13 WeakPolarHBondContact O-CB 3.45Å; L9-C13 PolarHBondContact O-N 3.36Å; L9-C13 PolarHBondContact O-SG 2.72Å; L9-C13 VanDerWaalsContact O-SG 3.36Å; L9-E34 HydrophobicContact CD1-CB 4.03Å; L9-N38 HydrophobicContact CD1-CB 4.19Å; L9-N38 HydrophobicContact CD2-CB 4.08Å
10	Q	88.7	Confident	73.6	Confident	125 Å²	125	88.3 Å²	88.3	58%	0.584	48%	0.476	S	S	*	.	H	α-helix	trans	-58.7	-39.1	178	-76.2	176.2	-5.6	0	0	111.8	E6 N7 Q14	E6-Q10 WeakPolarHBondContact O-CB 3.5Å; E6-Q10 VanDerWaalsContact O-CG 3.24Å; E6-Q10 WeakPolarHBondContact O-CG 3.32Å; E6-Q10 PolarHBondContact O-N 3.34Å; E6-Q10 VanDerWaalsContact O-N 3.13Å; N7-Q10 PolarHBondContact O-N 3.29Å; Q10-Q14 WeakPolarHBondContact O-CB 3.24Å; Q10-Q14 PolarHBondContact O-N 2.82Å
11	Q	86.6	Confident	73.9	Confident	83 Å²	83	87.3 Å²	87.3	39%	0.388	47%	0.472	S	S	.	.	H	α-helix	trans	-64.5	-46.2	176.1	-76.2	170.7	20.1	0	0	112.4	N7 A8 L9 Q14 Q15	N7-Q11 WeakPolarHBondContact O-CB 3.2Å; N7-Q11 WeakPolarHBondContact O-CG 3.38Å; N7-Q11 PolarHBondContact O-N 3.43Å; N7-Q11 PolarHBondContact OD1-NE2 3.03Å; A8-Q11 PolarHBondContact O-N 2.87Å; L9-Q11 VanDerWaalsContact C-N 3.26Å; L9-Q11 PolarHBondContact O-N 2.95Å; Q11-Q14 WeakPolarHBondContact O-CB 3.39Å; Q11-Q14 PolarHBondContact O-N 2.8Å; Q11-Q15 WeakPolarHBondContact O-CG 3.43Å; Q11-Q15 PolarHBondContact O-N 3.09Å
12	R	85.2	Confident	76.1	Confident	59 Å²	59	78.3 Å²	78.3	22%	0.223	43%	0.429	C	S	.	.	H	α-helix	trans	-62.7	-44.7	176	-69.1	-167.1	-59.4	-79.1	-1.5	111.8	A8 L9 Q14 Q15 I16 E34 D555	A8-R12 PolarHBondContact O-N 3.04Å; A8-R12 PolarHBondContact O-NH1 3.18Å; L9-R12 PolarHBondContact O-N 3.37Å; R12-Q14 VanDerWaalsContact C-N 3.31Å; R12-Q14 PolarHBondContact O-N 3.13Å; R12-Q15 WeakPolarHBondContact O-CB 3.45Å; R12-Q15 PolarHBondContact O-N 3.01Å; R12-I16 WeakPolarHBondContact O-CG1 3.45Å; R12-I16 PolarHBondContact O-N 3.25Å; R12-E34 HydrophobicContact CB-CG 4.45Å; R12-E34 IonicContact CZ-OE2 2.72Å; R12-E34 IonicContact NE-OE1 3.75Å; R12-E34 IonicContact NE-OE2 3.1Å; R12-E34 PolarHBondContact NE-OE2 3.49Å; R12-E34 IonicContact NH2-OE2 3.5Å; R12-E34 PolarHBondContact NH2-OE2 3.17Å; R12-D555 VanDerWaalsContact CD-OD1 3.26Å; R12-D555 WeakPolarHBondContact CD-OD1 3.42Å; R12-D555 HydrophobicContact CG-CB 4.4Å; R12-D555 VanDerWaalsContact CG-CG 3.43Å; R12-D555 WeakPolarHBondContact CG-OD1 3.46Å; R12-D555 IonicContact CZ-OD1 3.57Å; R12-D555 IonicContact NE-OD1 3.51Å; R12-D555 IonicContact NH1-OD1 2.7Å; R12-D555 PolarHBondContact NH1-OD1 2.79Å
13	C	89.3	Confident	78.2	Confident	32 Å²	32	75.9 Å²	75.9	22%	0.216	41%	0.414	C	S	.	.	H	α-helix	trans	-59.3	-42.3	173.3	-70.1	0	0	0	0	111.9	L9 I16 V17 L31	L9-C13 WeakPolarHBondContact O-CB 3.45Å; L9-C13 PolarHBondContact O-N 3.36Å; L9-C13 PolarHBondContact O-SG 2.72Å; L9-C13 VanDerWaalsContact O-SG 3.36Å; C13-I16 PolarHBondContact O-N 2.97Å; C13-V17 WeakPolarHBondContact O-CG2 3.36Å; C13-V17 PolarHBondContact O-N 3.13Å; C13-L31 HydrophobicContact CB-CD2 3.75Å
14	Q	91.4	Very high	80.3	Confident	113 Å²	113	76.7 Å²	76.7	53%	0.528	42%	0.421	S	S	.	.	H	α-helix	trans	-62.3	-43.6	176.8	-171.5	65.9	35.3	0	0	111.4	Q10 Q11 R12 I16 V17 T18	Q10-Q14 WeakPolarHBondContact O-CB 3.24Å; Q10-Q14 PolarHBondContact O-N 2.82Å; Q11-Q14 WeakPolarHBondContact O-CB 3.39Å; Q11-Q14 PolarHBondContact O-N 2.8Å; R12-Q14 VanDerWaalsContact C-N 3.31Å; R12-Q14 PolarHBondContact O-N 3.13Å; Q14-I16 VanDerWaalsContact C-N 3.33Å; Q14-I16 PolarHBondContact O-N 3.18Å; Q14-V17 VanDerWaalsContact O-CG2 3.27Å; Q14-V17 WeakPolarHBondContact O-CG2 3.4Å; Q14-V17 PolarHBondContact O-N 3.17Å; Q14-T18 HydrophobicContact CG-CG2 4.33Å; Q14-T18 WeakPolarHBondContact O-CB 3.44Å; Q14-T18 VanDerWaalsContact O-CG2 3.31Å; Q14-T18 WeakPolarHBondContact O-CG2 3.32Å; Q14-T18 PolarHBondContact O-N 3.28Å; Q14-T18 PolarHBondContact O-OG1 3.46Å
15	Q	87.2	Confident	81.6	Confident	111 Å²	111	76.9 Å²	76.9	52%	0.519	41%	0.412	S	S	.	.	H	α-helix	trans	-60	-43.2	175.2	-71.7	171.3	13.2	0	0	111.3	Q11 R12 T18 S19	Q11-Q15 WeakPolarHBondContact O-CG 3.43Å; Q11-Q15 PolarHBondContact O-N 3.09Å; R12-Q15 WeakPolarHBondContact O-CB 3.45Å; R12-Q15 PolarHBondContact O-N 3.01Å; Q15-T18 PolarHBondContact O-OG1 2.87Å; Q15-S19 WeakPolarHBondContact O-CB 3.31Å; Q15-S19 PolarHBondContact O-N 3.13Å
16	I	86	Confident	83	Confident	19 Å²	19	70 Å²	70	10%	0.097	38%	0.38	C	S	.	.	H	α-helix	trans	-60.9	-52.1	176.6	-65.9	159.7	0	0	0	110.8	R12 C13 Q14 T18 S19 L22 K27 F30 L31 E34	R12-I16 WeakPolarHBondContact O-CG1 3.45Å; R12-I16 PolarHBondContact O-N 3.25Å; C13-I16 PolarHBondContact O-N 2.97Å; Q14-I16 VanDerWaalsContact C-N 3.33Å; Q14-I16 PolarHBondContact O-N 3.18Å; I16-T18 VanDerWaalsContact C-N 3.31Å; I16-T18 PolarHBondContact O-N 3.48Å; I16-S19 WeakPolarHBondContact O-CB 3.38Å; I16-S19 PolarHBondContact O-N 3.18Å; I16-L22 HydrophobicContact CG2-CD1 4.3Å; I16-K27 HydrophobicContact CG2-CB 4.06Å; I16-K27 HydrophobicContact CG2-CG 4.18Å; I16-K27 VanDerWaalsContact O-CE 3.3Å; I16-K27 WeakPolarHBondContact O-CE 3.39Å; I16-K27 WeakPolarHBondContact O-CG 3.5Å; I16-F30 HydrophobicContact CD1-CB 3.77Å; I16-F30 HydrophobicContact CG1-CB 4.01Å; I16-F30 HydrophobicContact CG2-CB 3.87Å; I16-L31 HydrophobicContact CB-CD2 4.25Å; I16-L31 HydrophobicContact CB-CG 4.46Å; I16-L31 HydrophobicContact CD1-CD2 4.32Å; I16-L31 HydrophobicContact CG2-CD2 4.23Å; I16-L31 HydrophobicContact CG2-CG 3.89Å; I16-E34 HydrophobicContact CD1-CG 3.61Å
17	V	91.7	Very high	84.5	Confident	64 Å²	64	66.4 Å²	66.4	39%	0.388	36%	0.363	S	S	.	.	H	α-helix	trans	-66.9	-32.6	-175.9	-62.2	0	0	0	0	112.9	C13 Q14 K27 L31	C13-V17 WeakPolarHBondContact O-CG2 3.36Å; C13-V17 PolarHBondContact O-N 3.13Å; Q14-V17 VanDerWaalsContact O-CG2 3.27Å; Q14-V17 WeakPolarHBondContact O-CG2 3.4Å; Q14-V17 PolarHBondContact O-N 3.17Å; V17-K27 WeakPolarHBondContact O-CE 3.31Å; V17-K27 PolarHBondContact O-NZ 3Å; V17-L31 HydrophobicContact CG1-CD1 3.85Å; V17-L31 HydrophobicContact CG1-CD2 4.19Å; V17-L31 HydrophobicContact CG1-CG 4.48Å
18	T	92.3	Very high	85.3	Confident	88 Å²	88	70.7 Å²	70.7	54%	0.54	37%	0.373	S	S	.	.	H	α-helix	trans	-86.8	-8.7	179	58.4	0	0	0	0	114.1	Q14 Q15 I16	Q14-T18 HydrophobicContact CG-CG2 4.33Å; Q14-T18 WeakPolarHBondContact O-CB 3.44Å; Q14-T18 VanDerWaalsContact O-CG2 3.31Å; Q14-T18 WeakPolarHBondContact O-CG2 3.32Å; Q14-T18 PolarHBondContact O-N 3.28Å; Q14-T18 PolarHBondContact O-OG1 3.46Å; Q15-T18 PolarHBondContact O-OG1 2.87Å; I16-T18 VanDerWaalsContact C-N 3.31Å; I16-T18 PolarHBondContact O-N 3.48Å
19	S	82.9	Confident	85.5	Confident	22 Å²	22	71.2 Å²	71.2	15%	0.154	37%	0.371	C	S	.	.			trans	-58.2	128	-178	-179.9	0	0	0	0	111.4	Q15 I16 V21 L22 K27	Q15-S19 WeakPolarHBondContact O-CB 3.31Å; Q15-S19 PolarHBondContact O-N 3.13Å; I16-S19 WeakPolarHBondContact O-CB 3.38Å; I16-S19 PolarHBondContact O-N 3.18Å; S19-V21 VanDerWaalsContact C-N 3.33Å; S19-V21 WeakPolarHBondContact OG-CG2 3.47Å; S19-V21 PolarHBondContact OG-N 3.2Å; S19-L22 WeakPolarHBondContact OG-CG 3.14Å; S19-K27 WeakPolarHBondContact O-CE 3.49Å; S19-K27 PolarHBondContact O-NZ 3.3Å
20	P	83.4	Confident	85.4	Confident	130 Å²	130	71.5 Å²	71.5	84%	0.844	37%	0.371	S	S	*	.	S	Bend	trans	-79.2	-16.5	179.1	31.1	-34.2	0	0	0	113.1
21	V	78.9	Confident	85.4	Confident	67 Å²	67	68.2 Å²	68.2	41%	0.406	36%	0.357	S	S	.	.	S	Bend	trans	-100.4	-9.2	-174.8	-63.1	0	0	0	0	113.8	S19	S19-V21 VanDerWaalsContact C-N 3.33Å; S19-V21 WeakPolarHBondContact OG-CG2 3.47Å; S19-V21 PolarHBondContact OG-N 3.2Å
22	L	75.9	Confident	85.4	Confident	33 Å²	33	66.1 Å²	66.1	17%	0.173	35%	0.354	C	S	.	.			trans	-94.7	131.8	-179.7	-62.6	-179.8	0	0	0	111.4	I16 S19 Q26 K27 F30	I16-L22 HydrophobicContact CG2-CD1 4.3Å; S19-L22 WeakPolarHBondContact OG-CG 3.14Å; L22-Q26 HydrophobicContact CB-CB 4.21Å; L22-Q26 HydrophobicContact CD2-CB 4.16Å; L22-K27 HydrophobicContact CB-CD 4.45Å; L22-K27 HydrophobicContact CB-CG 3.69Å; L22-K27 HydrophobicContact CD1-CG 4.33Å; L22-K27 VanDerWaalsContact O-CE 3.26Å; L22-K27 WeakPolarHBondContact O-CE 3.3Å; L22-F30 HydrophobicContact CD1-CD2 3.79Å; L22-F30 HydrophobicContact CD1-CE2 4.15Å; L22-F30 HydrophobicContact CD2-CD2 4.2Å; L22-F30 HydrophobicContact CD2-CE2 3.72Å
23	S	81.1	Confident	85.3	Confident	47 Å²	47	65 Å²	65	33%	0.329	35%	0.353	S	S	.	.			trans	-67.3	160.8	169.5	79.7	0	0	0	0	111.3	E25 Q26 K27	S23-E25 PolarHBondContact O-N 2.7Å; S23-E25 PolarHBondContact OG-N 2.81Å; S23-Q26 PolarHBondContact O-N 2.94Å; S23-Q26 WeakPolarHBondContact OG-CG 3.34Å; S23-Q26 PolarHBondContact OG-N 3.39Å; S23-Q26 VanDerWaalsContact OG-N 3.17Å; S23-K27 WeakPolarHBondContact O-CG 3.45Å; S23-K27 PolarHBondContact O-N 3.22Å
24	P	88.1	Confident	85.1	Confident	114 Å²	114	65.3 Å²	65.3	74%	0.74	35%	0.351	S	S	*	.	H	α-helix	trans	-54.4	-36.3	174.4	-27.8	36	0	0	0	113.7	R28	P24-R28 WeakPolarHBondContact O-CB 3.49Å; P24-R28 PolarHBondContact O-N 3.44Å
25	E	81.1	Confident	85	Confident	88 Å²	88	62.6 Å²	62.6	41%	0.411	35%	0.348	S	S	.	.	H	α-helix	trans	-70.1	-43.5	178.2	-174.2	175.1	-172.9	0	0	112.2	S23 K27 R28 H29	S23-E25 PolarHBondContact O-N 2.7Å; S23-E25 PolarHBondContact OG-N 2.81Å; E25-K27 VanDerWaalsContact C-N 3.34Å; E25-K27 PolarHBondContact O-N 3.36Å; E25-R28 WeakPolarHBondContact O-CB 3.29Å; E25-R28 PolarHBondContact O-N 3.21Å; E25-R28 IonicContact OE1-NH2 3.95Å; E25-H29 PolarHBondContact O-N 2.83Å
26	Q	81	Confident	84.8	Confident	12 Å²	12	58.3 Å²	58.3	6%	0.056	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-44.1	173.9	-75.8	168.1	-23.5	0	0	111.1	L22 S23 R28 H29 F30 S481 N484	L22-Q26 HydrophobicContact CB-CB 4.21Å; L22-Q26 HydrophobicContact CD2-CB 4.16Å; S23-Q26 PolarHBondContact O-N 2.94Å; S23-Q26 WeakPolarHBondContact OG-CG 3.34Å; S23-Q26 PolarHBondContact OG-N 3.39Å; S23-Q26 VanDerWaalsContact OG-N 3.17Å; Q26-R28 VanDerWaalsContact C-N 3.35Å; Q26-R28 PolarHBondContact O-N 3.32Å; Q26-H29 PolarHBondContact O-N 3.31Å; Q26-H29 VanDerWaalsContact O-N 3.17Å; Q26-F30 HydrophobicContact CB-CD2 4.34Å; Q26-F30 HydrophobicContact CB-CE2 4.2Å; Q26-F30 WeakPolarHBondContact O-CD2 3.46Å; Q26-F30 PolarHBondContact O-N 3.35Å; Q26-S481 PolarHBondContact NE2-O 2.91Å; Q26-N484 WeakPolarHBondContact CG-OD1 3.44Å; Q26-N484 PolarHBondContact NE2-OD1 2.85Å
27	K	88	Confident	84.6	Confident	49 Å²	49	60 Å²	60	21%	0.213	34%	0.337	C	S	.	.	H	α-helix	trans	-57.5	-47.8	175.5	-70.7	178.6	177.1	-175.8	0	111.4	I16 V17 S19 L22 S23 E25 H29 F30 L31	I16-K27 HydrophobicContact CG2-CB 4.06Å; I16-K27 HydrophobicContact CG2-CG 4.18Å; I16-K27 VanDerWaalsContact O-CE 3.3Å; I16-K27 WeakPolarHBondContact O-CE 3.39Å; I16-K27 WeakPolarHBondContact O-CG 3.5Å; V17-K27 WeakPolarHBondContact O-CE 3.31Å; V17-K27 PolarHBondContact O-NZ 3Å; S19-K27 WeakPolarHBondContact O-CE 3.49Å; S19-K27 PolarHBondContact O-NZ 3.3Å; L22-K27 HydrophobicContact CB-CD 4.45Å; L22-K27 HydrophobicContact CB-CG 3.69Å; L22-K27 HydrophobicContact CD1-CG 4.33Å; L22-K27 VanDerWaalsContact O-CE 3.26Å; L22-K27 WeakPolarHBondContact O-CE 3.3Å; S23-K27 WeakPolarHBondContact O-CG 3.45Å; S23-K27 PolarHBondContact O-N 3.22Å; E25-K27 VanDerWaalsContact C-N 3.34Å; E25-K27 PolarHBondContact O-N 3.36Å; K27-H29 VanDerWaalsContact C-N 3.31Å; K27-H29 PolarHBondContact O-N 3.21Å; K27-F30 PolarHBondContact O-N 2.99Å; K27-L31 WeakPolarHBondContact O-CB 3.21Å; K27-L31 WeakPolarHBondContact O-CG 3.27Å; K27-L31 PolarHBondContact O-N 3.37Å
28	R	89	Confident	84.4	Confident	166 Å²	166	61.2 Å²	61.2	63%	0.626	34%	0.341	S	S	*	.	H	α-helix	trans	-56.3	-46.5	175.2	-179.8	-172.5	67.6	113	-3.6	111.4	P24 E25 Q26 A32	P24-R28 WeakPolarHBondContact O-CB 3.49Å; P24-R28 PolarHBondContact O-N 3.44Å; E25-R28 WeakPolarHBondContact O-CB 3.29Å; E25-R28 PolarHBondContact O-N 3.21Å; E25-R28 IonicContact OE1-NH2 3.95Å; Q26-R28 VanDerWaalsContact C-N 3.35Å; Q26-R28 PolarHBondContact O-N 3.32Å; R28-A32 PolarHBondContact O-N 2.8Å
29	H	83.6	Confident	84.2	Confident	38 Å²	38	61.1 Å²	61.1	18%	0.176	34%	0.337	C	S	.	.	H	α-helix	trans	-62.8	-50	179.6	179.8	67.5	0	0	0	112.2	E25 Q26 K27 L31 A32 L33	E25-H29 PolarHBondContact O-N 2.83Å; Q26-H29 PolarHBondContact O-N 3.31Å; Q26-H29 VanDerWaalsContact O-N 3.17Å; K27-H29 VanDerWaalsContact C-N 3.31Å; K27-H29 PolarHBondContact O-N 3.21Å; H29-L31 PolarHBondContact O-N 3.08Å; H29-A32 WeakPolarHBondContact O-CB 3.45Å; H29-A32 PolarHBondContact O-N 3.07Å; H29-A32 VanDerWaalsContact O-N 3.15Å; H29-L33 PolarHBondContact O-N 2.77Å
30	F	82.1	Confident	84.6	Confident	42 Å²	42	65.4 Å²	65.4	18%	0.184	36%	0.364	C	S	.	.	H	α-helix	trans	-65.4	-36.7	179.4	-71.2	-59.7	0	0	0	113	I16 L22 Q26 K27 A32 L33 E34 W487	I16-F30 HydrophobicContact CD1-CB 3.77Å; I16-F30 HydrophobicContact CG1-CB 4.01Å; I16-F30 HydrophobicContact CG2-CB 3.87Å; L22-F30 HydrophobicContact CD1-CD2 3.79Å; L22-F30 HydrophobicContact CD1-CE2 4.15Å; L22-F30 HydrophobicContact CD2-CD2 4.2Å; L22-F30 HydrophobicContact CD2-CE2 3.72Å; Q26-F30 HydrophobicContact CB-CD2 4.34Å; Q26-F30 HydrophobicContact CB-CE2 4.2Å; Q26-F30 WeakPolarHBondContact O-CD2 3.46Å; Q26-F30 PolarHBondContact O-N 3.35Å; K27-F30 PolarHBondContact O-N 2.99Å; F30-A32 VanDerWaalsContact C-N 3.31Å; F30-A32 PolarHBondContact O-N 3.23Å; F30-L33 HydrophobicContact CD1-CD1 4.16Å; F30-L33 PolarHBondContact O-N 2.92Å; F30-E34 PolarHBondContact O-N 3.44Å; F30-W487 HydrophobicContact CE1-CZ2 4.37Å; F30-W487 AromaticContact CZ-NE1 3.88Å
31	L	88.4	Confident	85	Confident	55 Å²	55	60.8 Å²	60.8	29%	0.288	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-40.1	172.7	-73.8	170.8	0	0	0	111.8	C13 I16 V17 K27 H29 E34 A35	C13-L31 HydrophobicContact CB-CD2 3.75Å; I16-L31 HydrophobicContact CB-CD2 4.25Å; I16-L31 HydrophobicContact CB-CG 4.46Å; I16-L31 HydrophobicContact CD1-CD2 4.32Å; I16-L31 HydrophobicContact CG2-CD2 4.23Å; I16-L31 HydrophobicContact CG2-CG 3.89Å; V17-L31 HydrophobicContact CG1-CD1 3.85Å; V17-L31 HydrophobicContact CG1-CD2 4.19Å; V17-L31 HydrophobicContact CG1-CG 4.48Å; K27-L31 WeakPolarHBondContact O-CB 3.21Å; K27-L31 WeakPolarHBondContact O-CG 3.27Å; K27-L31 PolarHBondContact O-N 3.37Å; H29-L31 PolarHBondContact O-N 3.08Å; L31-E34 PolarHBondContact O-N 3.4Å; L31-A35 PolarHBondContact O-N 3Å
32	A	87.7	Confident	85.7	Confident	39 Å²	39	58.4 Å²	58.4	32%	0.322	32%	0.316	S	S	.	.	H	α-helix	trans	-63	-44.5	174.9	0	0	0	0	0	111.1	R28 H29 F30 E34 A35 E36	R28-A32 PolarHBondContact O-N 2.8Å; H29-A32 WeakPolarHBondContact O-CB 3.45Å; H29-A32 PolarHBondContact O-N 3.07Å; H29-A32 VanDerWaalsContact O-N 3.15Å; F30-A32 VanDerWaalsContact C-N 3.31Å; F30-A32 PolarHBondContact O-N 3.23Å; A32-E34 PolarHBondContact O-N 2.88Å; A32-A35 WeakPolarHBondContact O-CB 3.49Å; A32-A35 PolarHBondContact O-N 3.47Å; A32-A35 VanDerWaalsContact O-N 3.13Å; A32-E36 VanDerWaalsContact O-CG 3.3Å; A32-E36 WeakPolarHBondContact O-CG 3.22Å; A32-E36 PolarHBondContact O-N 3.27Å
33	L	82.1	Confident	86.6	Confident	37 Å²	37	65.7 Å²	65.7	19%	0.194	35%	0.349	C	S	.	.	H	α-helix	trans	-60.4	-42.5	176.1	-70	177	0	0	0	112.6	H29 F30 A35 E36 N37	H29-L33 PolarHBondContact O-N 2.77Å; F30-L33 HydrophobicContact CD1-CD1 4.16Å; F30-L33 PolarHBondContact O-N 2.92Å; L33-A35 VanDerWaalsContact C-N 3.3Å; L33-A35 PolarHBondContact O-N 3.05Å; L33-E36 PolarHBondContact O-N 3.26Å; L33-N37 WeakPolarHBondContact O-CB 3.39Å; L33-N37 PolarHBondContact O-N 3.4Å; L33-N37 PolarHBondContact O-ND2 2.91Å
34	E	85.6	Confident	87.3	Confident	37 Å²	37	64.6 Å²	64.6	17%	0.173	34%	0.34	C	S	.	.	H	α-helix	trans	-61.9	-38.4	174.7	-75.3	-59.7	149.9	0	0	112.2	L9 R12 I16 F30 L31 A32 N38	L9-E34 HydrophobicContact CD1-CB 4.03Å; R12-E34 HydrophobicContact CB-CG 4.45Å; R12-E34 IonicContact CZ-OE2 2.72Å; R12-E34 IonicContact NE-OE1 3.75Å; R12-E34 IonicContact NE-OE2 3.1Å; R12-E34 PolarHBondContact NE-OE2 3.49Å; R12-E34 IonicContact NH2-OE2 3.5Å; R12-E34 PolarHBondContact NH2-OE2 3.17Å; I16-E34 HydrophobicContact CD1-CG 3.61Å; F30-E34 PolarHBondContact O-N 3.44Å; L31-E34 PolarHBondContact O-N 3.4Å; A32-E34 PolarHBondContact O-N 2.88Å; E34-N38 WeakPolarHBondContact O-CB 3.16Å; E34-N38 PolarHBondContact O-N 3.42Å; E34-N38 VanDerWaalsContact O-N 3.09Å
35	A	87.9	Confident	87.8	Confident	57 Å²	57	62.6 Å²	62.6	47%	0.471	33%	0.327	S	S	.	.	H	α-helix	trans	-66.3	-46.3	174.6	0	0	0	0	0	111.6	L31 A32 L33 N37 N38 L39	L31-A35 PolarHBondContact O-N 3Å; A32-A35 WeakPolarHBondContact O-CB 3.49Å; A32-A35 PolarHBondContact O-N 3.47Å; A32-A35 VanDerWaalsContact O-N 3.13Å; L33-A35 VanDerWaalsContact C-N 3.3Å; L33-A35 PolarHBondContact O-N 3.05Å; A35-N37 VanDerWaalsContact C-N 3.31Å; A35-N37 PolarHBondContact O-N 3.41Å; A35-N38 PolarHBondContact O-N 3.33Å; A35-N38 VanDerWaalsContact O-N 3.11Å; A35-L39 PolarHBondContact O-N 3.02Å
36	E	83.9	Confident	88.6	Confident	20 Å²	20	62 Å²	62	9%	0.093	34%	0.337	C	S	.	.	H	α-helix	trans	-58.2	-42.4	176.8	-70.9	175.7	-153.5	0	0	111.8	A32 L33 N38 L39 Y67	A32-E36 VanDerWaalsContact O-CG 3.3Å; A32-E36 WeakPolarHBondContact O-CG 3.22Å; A32-E36 PolarHBondContact O-N 3.27Å; L33-E36 PolarHBondContact O-N 3.26Å; E36-N38 VanDerWaalsContact C-N 3.28Å; E36-N38 PolarHBondContact O-N 3.29Å; E36-L39 PolarHBondContact O-N 3.22Å; E36-Y67 VanDerWaalsContact CD-CE1 3.41Å; E36-Y67 HydrophobicContact CG-CE1 3.85Å; E36-Y67 WeakPolarHBondContact OE1-CE1 3.36Å; E36-Y67 PolarHBondContact OE1-OH 2.8Å
37	N	82.5	Confident	89.3	Confident	54 Å²	54	66.3 Å²	66.3	29%	0.289	36%	0.357	S	S	.	.	H	α-helix	trans	-75.2	-14.9	178.4	-69.4	-24.9	0	0	0	113.5	L33 A35 G63 H64	L33-N37 WeakPolarHBondContact O-CB 3.39Å; L33-N37 PolarHBondContact O-N 3.4Å; L33-N37 PolarHBondContact O-ND2 2.91Å; A35-N37 VanDerWaalsContact C-N 3.31Å; A35-N37 PolarHBondContact O-N 3.41Å; N37-G63 WeakPolarHBondContact OD1-CA 3.41Å; N37-H64 PolarHBondContact O-CE1 3.25Å; N37-H64 PolarHBondContact O-ND1 2.94Å
38	N	86.2	Confident	89.8	Confident	91 Å²	91	64 Å²	64	49%	0.487	35%	0.347	S	S	.	.	H	α-helix	trans	-92.7	-5.9	175.3	-165.2	68.9	0	0	0	112.9	L9 E34 A35 E36	L9-N38 HydrophobicContact CD1-CB 4.19Å; L9-N38 HydrophobicContact CD2-CB 4.08Å; E34-N38 WeakPolarHBondContact O-CB 3.16Å; E34-N38 PolarHBondContact O-N 3.42Å; E34-N38 VanDerWaalsContact O-N 3.09Å; A35-N38 PolarHBondContact O-N 3.33Å; A35-N38 VanDerWaalsContact O-N 3.11Å; E36-N38 VanDerWaalsContact C-N 3.28Å; E36-N38 PolarHBondContact O-N 3.29Å
39	L	89	Confident	90.2	Very high	85 Å²	85	61 Å²	61	45%	0.445	34%	0.336	S	S	.	.	S	Bend	trans	-71.7	152.3	173	-67.7	173.8	0	0	0	111.2	A35 E36 Y41 H64 A65	A35-L39 PolarHBondContact O-N 3.02Å; E36-L39 PolarHBondContact O-N 3.22Å; L39-Y41 PolarHBondContact O-N 2.9Å; L39-H64 WeakPolarHBondContact O-CB 3.37Å; L39-H64 PolarHBondContact O-ND1 3.23Å; L39-A65 HydrophobicContact CB-CB 4.2Å; L39-A65 HydrophobicContact CD1-CB 4.08Å
40	P	90.6	Very high	90.9	Very high	112 Å²	112	66.2 Å²	66.2	73%	0.727	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-58.2	135.1	170.8	-22.4	33.5	0	0	0	111.2
41	Y	92.3	Very high	91.6	Very high	33 Å²	33	64.3 Å²	64.3	13%	0.129	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-70.7	143.4	172.9	-156.9	-86.2	0	0	0	110.3	L39 L44 L52 D59 H64 R286	L39-Y41 PolarHBondContact O-N 2.9Å; Y41-L44 HydrophobicContact CD1-CD1 3.85Å; Y41-L44 HydrophobicContact CD1-CG 4Å; Y41-L44 HydrophobicContact CE1-CD1 3.58Å; Y41-L44 HydrophobicContact CE1-CD2 4.12Å; Y41-L44 HydrophobicContact CE1-CG 3.88Å; Y41-L52 HydrophobicContact CE1-CD1 4.29Å; Y41-D59 WeakPolarHBondContact CE2-OD2 3.42Å; Y41-H64 HydrophobicContact CD2-CB 3.74Å; Y41-H64 AromaticContact CD2-CD2 3.61Å; Y41-H64 AromaticContact CD2-CG 3.7Å; Y41-H64 HydrophobicContact CG-CB 4.43Å; Y41-R286 VanDerWaalsContact OH-CD 3.28Å; Y41-R286 WeakPolarHBondContact OH-CD 3.41Å; Y41-R286 WeakPolarHBondContact OH-CG 3.37Å; Y41-R286 PolarHBondContact OH-NH1 3.43Å
42	P	93.5	Very high	91.6	Very high	17 Å²	17	62.9 Å²	62.9	11%	0.11	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-48	144.6	170.7	-30.4	34.3	0	0	0	112	L44 H64 A285 F289	P42-L44 PolarHBondContact O-N 3.36Å; P42-H64 WeakPolarHBondContact CD-O 3.41Å; P42-A285 HydrophobicContact CB-CB 4.24Å; P42-F289 HydrophobicContact CG-CB 4.02Å; P42-F289 HydrophobicContact CG-CD2 4.29Å; P42-F289 HydrophobicContact CG-CG 4.19Å
43	Q	94.4	Very high	91.8	Very high	186 Å²	186	65.8 Å²	65.8	87%	0.869	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-61.6	126.7	-177.6	-171.8	176.1	11.8	0	0	110.7
44	L	96.6	Very high	92.2	Very high	25 Å²	25	68.4 Å²	68.4	13%	0.131	36%	0.36	C	S	.	.			trans	-114	150	177.2	-65.9	-179.8	0	0	0	111.1	Y41 P42 A48 R49 L52 I282 A285	Y41-L44 HydrophobicContact CD1-CD1 3.85Å; Y41-L44 HydrophobicContact CD1-CG 4Å; Y41-L44 HydrophobicContact CE1-CD1 3.58Å; Y41-L44 HydrophobicContact CE1-CD2 4.12Å; Y41-L44 HydrophobicContact CE1-CG 3.88Å; P42-L44 PolarHBondContact O-N 3.36Å; L44-A48 HydrophobicContact CB-CB 4.35Å; L44-R49 HydrophobicContact CB-CB 4.25Å; L44-R49 HydrophobicContact CD1-CB 4.49Å; L44-L52 HydrophobicContact CD1-CD1 3.36Å; L44-I282 HydrophobicContact CD1-CG1 4.19Å; L44-I282 HydrophobicContact CD2-CB 4.48Å; L44-I282 HydrophobicContact CD2-CG1 4.18Å; L44-A285 HydrophobicContact CD2-CB 3.5Å
45	P	97.3	Very high	92.4	Very high	71 Å²	71	68.3 Å²	68.3	46%	0.461	37%	0.369	S	S	.	.			trans	-53.4	148.4	160.2	-23.8	34.6	0	0	0	111.2	E47 A48 R49 A281	P45-E47 VanDerWaalsContact C-N 3.26Å; P45-E47 PolarHBondContact O-N 3.44Å; P45-A48 HydrophobicContact CB-CB 4.3Å; P45-A48 HydrophobicContact CG-CB 4.49Å; P45-A48 PolarHBondContact O-N 3.13Å; P45-A48 VanDerWaalsContact O-N 3.15Å; P45-R49 PolarHBondContact O-N 3.48Å; P45-A281 HydrophobicContact CG-CB 4.14Å
46	A	97.8	Very high	92.7	Very high	77 Å²	77	65.6 Å²	65.6	64%	0.636	35%	0.346	S	S	*	.	H	α-helix	trans	-58.8	-36.3	-174.5	0	0	0	0	0	113.3	R50	A46-R50 WeakPolarHBondContact O-CB 3.44Å; A46-R50 PolarHBondContact O-N 3.05Å
47	E	97.8	Very high	93.3	Very high	102 Å²	102	64.7 Å²	64.7	48%	0.477	34%	0.342	S	S	.	.	H	α-helix	trans	-70.6	-42.7	177.6	-64.3	-168.9	150.4	0	0	112.2	P45 R49 R50 A51 H274 Q278	P45-E47 VanDerWaalsContact C-N 3.26Å; P45-E47 PolarHBondContact O-N 3.44Å; E47-R49 VanDerWaalsContact C-N 3.32Å; E47-R49 PolarHBondContact O-N 3.43Å; E47-R50 WeakPolarHBondContact O-CB 3.43Å; E47-R50 PolarHBondContact O-N 2.68Å; E47-A51 WeakPolarHBondContact O-CB 3.13Å; E47-A51 PolarHBondContact O-N 3.28Å; E47-H274 IonicContact OE2-CE1 2.77Å; E47-H274 PolarHBondContact OE2-CE1 2.85Å; E47-Q278 HydrophobicContact CB-CG 4.45Å; E47-Q278 VanDerWaalsContact CB-OE1 3.31Å; E47-Q278 PolarHBondContact OE2-NE2 3.41Å
48	A	97.8	Very high	93.8	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.6	-41.6	174.7	0	0	0	0	0	111.8	L44 P45 A51 L52 Q278 A281 I282	L44-A48 HydrophobicContact CB-CB 4.35Å; P45-A48 HydrophobicContact CB-CB 4.3Å; P45-A48 HydrophobicContact CG-CB 4.49Å; P45-A48 PolarHBondContact O-N 3.13Å; P45-A48 VanDerWaalsContact O-N 3.15Å; A48-A51 PolarHBondContact O-N 3.18Å; A48-L52 PolarHBondContact O-N 3.43Å; A48-Q278 HydrophobicContact CB-CB 4.44Å; A48-A281 HydrophobicContact CB-CB 4.03Å; A48-I282 HydrophobicContact CB-CD1 4.47Å; A48-I282 HydrophobicContact CB-CG1 4Å
49	R	97.3	Very high	93.9	Very high	102 Å²	102	59.5 Å²	59.5	39%	0.385	32%	0.315	S	S	.	.	H	α-helix	trans	-61.1	-46.6	173.6	179.1	63	-158.9	-170	6.6	111.4	L44 P45 E47 A51 L52 D53	L44-R49 HydrophobicContact CB-CB 4.25Å; L44-R49 HydrophobicContact CD1-CB 4.49Å; P45-R49 PolarHBondContact O-N 3.48Å; E47-R49 VanDerWaalsContact C-N 3.32Å; E47-R49 PolarHBondContact O-N 3.43Å; R49-A51 VanDerWaalsContact C-N 3.33Å; R49-A51 PolarHBondContact O-N 3.28Å; R49-L52 PolarHBondContact O-N 2.84Å; R49-D53 WeakPolarHBondContact CG-OD2 3.49Å; R49-D53 IonicContact CZ-OD1 2.6Å; R49-D53 IonicContact CZ-OD2 2.73Å; R49-D53 VanDerWaalsContact NE-CG 3.28Å; R49-D53 IonicContact NE-OD1 3.49Å; R49-D53 PolarHBondContact NE-OD1 3.12Å; R49-D53 IonicContact NE-OD2 3.41Å; R49-D53 PolarHBondContact NE-OD2 3.49Å; R49-D53 IonicContact NH2-OD1 2.8Å; R49-D53 PolarHBondContact NH2-OD1 3.46Å; R49-D53 IonicContact NH2-OD2 3.24Å; R49-D53 PolarHBondContact O-N 2.94Å
50	R	97.2	Very high	93.8	Very high	148 Å²	148	56.4 Å²	56.4	56%	0.558	30%	0.299	S	S	*	.	H	α-helix	trans	-60.2	-42.3	177.6	-170.8	-176.3	-55.5	175	4.5	112	A46 E47 L52 D53 E54	A46-R50 WeakPolarHBondContact O-CB 3.44Å; A46-R50 PolarHBondContact O-N 3.05Å; E47-R50 WeakPolarHBondContact O-CB 3.43Å; E47-R50 PolarHBondContact O-N 2.68Å; R50-L52 VanDerWaalsContact C-N 3.31Å; R50-L52 PolarHBondContact O-N 2.96Å; R50-D53 PolarHBondContact O-N 3.04Å; R50-E54 VanDerWaalsContact CD-OE1 3.32Å; R50-E54 WeakPolarHBondContact CD-OE1 3.33Å; R50-E54 HydrophobicContact CG-CG 4.2Å; R50-E54 WeakPolarHBondContact CG-OE1 3.4Å; R50-E54 WeakPolarHBondContact O-CB 3.3Å; R50-E54 WeakPolarHBondContact O-CG 3.21Å; R50-E54 PolarHBondContact O-N 3.27Å
51	A	97.2	Very high	93.4	Very high	3 Å²	3	57 Å²	57	3%	0.025	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-34.9	179.2	0	0	0	0	0	113	E47 A48 R49 V56 I57 Y275 Q278	E47-A51 WeakPolarHBondContact O-CB 3.13Å; E47-A51 PolarHBondContact O-N 3.28Å; A48-A51 PolarHBondContact O-N 3.18Å; R49-A51 VanDerWaalsContact C-N 3.33Å; R49-A51 PolarHBondContact O-N 3.28Å; A51-V56 PolarHBondContact O-N 3.03Å; A51-V56 VanDerWaalsContact O-N 3.09Å; A51-I57 HydrophobicContact CB-CD1 3.7Å; A51-I57 HydrophobicContact CB-CG1 3.96Å; A51-I57 PolarHBondContact O-N 2.83Å; A51-Y275 HydrophobicContact CB-CD1 4.03Å; A51-Y275 HydrophobicContact CB-CE1 3.98Å; A51-Q278 HydrophobicContact CB-CB 4.2Å; A51-Q278 HydrophobicContact CB-CG 4.47Å
52	L	89.9	Confident	92.8	Very high	25 Å²	25	56 Å²	56	13%	0.131	29%	0.287	C	S	.	.	H	α-helix	trans	-68.9	-49.8	170.3	-76	170.6	0	0	0	111.9	Y41 L44 A48 R49 R50 E54 G55 I57 D59 I282	Y41-L52 HydrophobicContact CE1-CD1 4.29Å; L44-L52 HydrophobicContact CD1-CD1 3.36Å; A48-L52 PolarHBondContact O-N 3.43Å; R49-L52 PolarHBondContact O-N 2.84Å; R50-L52 VanDerWaalsContact C-N 3.31Å; R50-L52 PolarHBondContact O-N 2.96Å; L52-E54 VanDerWaalsContact C-N 3.25Å; L52-E54 PolarHBondContact O-N 3.17Å; L52-G55 PolarHBondContact O-N 3.28Å; L52-I57 HydrophobicContact CD2-CB 4.25Å; L52-I57 HydrophobicContact CD2-CG2 4.05Å; L52-D59 HydrophobicContact CD2-CB 4.22Å; L52-I282 HydrophobicContact CD1-CD1 3.88Å; L52-I282 HydrophobicContact CD1-CG1 3.98Å; L52-I282 HydrophobicContact CD1-CG2 4.16Å; L52-I282 HydrophobicContact CD2-CD1 3.89Å; L52-I282 HydrophobicContact CG-CD1 3.56Å; L52-I282 HydrophobicContact CG-CG1 4.23Å
53	D	90.3	Very high	92.2	Very high	100 Å²	100	55.3 Å²	55.3	54%	0.535	28%	0.283	S	S	.	.	H	α-helix	trans	-61.6	-34.1	-177	-71.5	-27.5	0	0	0	112.5	R49 R50 G55	R49-D53 WeakPolarHBondContact CG-OD2 3.49Å; R49-D53 IonicContact CZ-OD1 2.6Å; R49-D53 IonicContact CZ-OD2 2.73Å; R49-D53 VanDerWaalsContact NE-CG 3.28Å; R49-D53 IonicContact NE-OD1 3.49Å; R49-D53 PolarHBondContact NE-OD1 3.12Å; R49-D53 IonicContact NE-OD2 3.41Å; R49-D53 PolarHBondContact NE-OD2 3.49Å; R49-D53 IonicContact NH2-OD1 2.8Å; R49-D53 PolarHBondContact NH2-OD1 3.46Å; R49-D53 IonicContact NH2-OD2 3.24Å; R49-D53 PolarHBondContact O-N 2.94Å; R50-D53 PolarHBondContact O-N 3.04Å; D53-G55 VanDerWaalsContact C-N 3.3Å
54	E	91.8	Very high	91.8	Very high	92 Å²	92	49.2 Å²	49.2	43%	0.43	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.5	176.6	-70.3	-177.8	-164.5	0	0	113.9	R50 L52 V56 R260	R50-E54 VanDerWaalsContact CD-OE1 3.32Å; R50-E54 WeakPolarHBondContact CD-OE1 3.33Å; R50-E54 HydrophobicContact CG-CG 4.2Å; R50-E54 WeakPolarHBondContact CG-OE1 3.4Å; R50-E54 WeakPolarHBondContact O-CB 3.3Å; R50-E54 WeakPolarHBondContact O-CG 3.21Å; R50-E54 PolarHBondContact O-N 3.27Å; L52-E54 VanDerWaalsContact C-N 3.25Å; L52-E54 PolarHBondContact O-N 3.17Å; E54-V56 HydrophobicContact CB-CG2 4.1Å; E54-V56 PolarHBondContact O-N 3.45Å; E54-R260 IonicContact OE2-CZ 3.16Å; E54-R260 IonicContact OE2-NE 2.83Å; E54-R260 PolarHBondContact OE2-NE 3.09Å; E54-R260 IonicContact OE2-NH2 2.98Å; E54-R260 PolarHBondContact OE2-NH2 2.86Å; E54-R260 VanDerWaalsContact OE2-NH2 3.08Å
55	G	89.4	Confident	91.3	Very high	34 Å²	34	48.4 Å²	48.4	35%	0.351	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	16	-179.3	0	0	0	0	0	114.8	L52 D53 I57	L52-G55 PolarHBondContact O-N 3.28Å; D53-G55 VanDerWaalsContact C-N 3.3Å; G55-I57 VanDerWaalsContact C-N 3.29Å
56	V	94.5	Very high	90.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-72.2	-32.6	171.5	-171.7	0	0	0	0	110.2	A51 E54 N253 A256 I257 Y275	A51-V56 PolarHBondContact O-N 3.03Å; A51-V56 VanDerWaalsContact O-N 3.09Å; E54-V56 HydrophobicContact CB-CG2 4.1Å; E54-V56 PolarHBondContact O-N 3.45Å; V56-N253 WeakPolarHBondContact O-CB 3.45Å; V56-N253 PolarHBondContact O-N 3.45Å; V56-A256 HydrophobicContact CG1-CB 4.47Å; V56-A256 HydrophobicContact CG2-CB 4.43Å; V56-I257 HydrophobicContact CG1-CD1 4.29Å; V56-I257 HydrophobicContact CG1-CG1 3.52Å; V56-Y275 HydrophobicContact CB-CD1 4.19Å; V56-Y275 HydrophobicContact CB-CE1 3.89Å; V56-Y275 HydrophobicContact CG1-CD1 3.58Å; V56-Y275 HydrophobicContact CG1-CD2 4.03Å; V56-Y275 HydrophobicContact CG1-CE1 3.57Å; V56-Y275 HydrophobicContact CG1-CE2 4.01Å; V56-Y275 HydrophobicContact CG1-CG 3.82Å; V56-Y275 HydrophobicContact CG2-CE1 4.09Å
57	I	96.5	Very high	90.6	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	140	172.9	-56.4	-178.4	0	0	0	108.6	A51 L52 G55 V250 R251 L252 Q278 Q279 I282	A51-I57 HydrophobicContact CB-CD1 3.7Å; A51-I57 HydrophobicContact CB-CG1 3.96Å; A51-I57 PolarHBondContact O-N 2.83Å; L52-I57 HydrophobicContact CD2-CB 4.25Å; L52-I57 HydrophobicContact CD2-CG2 4.05Å; G55-I57 VanDerWaalsContact C-N 3.29Å; I57-V250 HydrophobicContact CG2-CG1 3.3Å; I57-R251 WeakPolarHBondContact CA-O 3.49Å; I57-L252 HydrophobicContact CD1-CD2 4.22Å; I57-L252 HydrophobicContact CG1-CD2 3.97Å; I57-Q278 HydrophobicContact CD1-CB 3.69Å; I57-Q279 HydrophobicContact CD1-CB 4.01Å; I57-I282 HydrophobicContact CB-CD1 4.12Å; I57-I282 HydrophobicContact CD1-CD1 3.82Å; I57-I282 HydrophobicContact CG2-CD1 3.65Å
58	C	92.2	Very high	90.4	Very high	16 Å²	16	42.6 Å²	42.6	11%	0.108	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.5	176.2	172.6	0	0	0	0	109.1	M60 V250 R251	C58-M60 PolarHBondContact O-N 3.38Å; C58-M60 PolarHBondContact SG-N 3.31Å; C58-M60 VanDerWaalsContact SG-N 3.4Å; C58-V250 CarbonylContact O-C 3.55Å; C58-V250 WeakPolarHBondContact O-CA 3.37Å; C58-R251 HydrophobicContact CB-CG 3.97Å; C58-R251 PolarHBondContact N-O 3.46Å; C58-R251 PolarHBondContact O-N 3.11Å
59	D	88.9	Confident	90.3	Very high	19 Å²	19	42.6 Å²	42.6	10%	0.102	20%	0.201	C	C	.	.			trans	-89.7	17.2	178.1	67.7	-9.1	0	0	0	113	Y41 L52 F61 E62 L249 R286	Y41-D59 WeakPolarHBondContact CE2-OD2 3.42Å; L52-D59 HydrophobicContact CD2-CB 4.22Å; D59-F61 PolarHBondContact O-N 3.41Å; D59-F61 VanDerWaalsContact O-N 3.08Å; D59-F61 PolarHBondContact OD1-N 3.33Å; D59-F61 VanDerWaalsContact OD1-N 3.09Å; D59-E62 PolarHBondContact O-N 3.43Å; D59-L249 CarbonylContact C-O 3.54Å; D59-R286 IonicContact OD2-NH1 3.45Å
60	M	85.6	Confident	90.2	Very high	21 Å²	21	38.3 Å²	38.3	10%	0.103	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	17.5	-179	-65.5	-62.5	-57.4	0	0	115	C58 E62 L249 R251 Q378 I381	C58-M60 PolarHBondContact O-N 3.38Å; C58-M60 PolarHBondContact SG-N 3.31Å; C58-M60 VanDerWaalsContact SG-N 3.4Å; M60-E62 HydrophobicContact CB-CG 4.03Å; M60-E62 PolarHBondContact O-N 3.19Å; M60-L249 HydrophobicContact CG-CB 4.13Å; M60-L249 HydrophobicContact CG-CD2 3.88Å; M60-L249 HydrophobicContact CG-CG 3.71Å; M60-L249 WeakPolarHBondContact CG-O 3.38Å; M60-L249 HydrophobicContact SD-CD2 4.4Å; M60-R251 WeakPolarHBondContact SD-CD 3.44Å; M60-R251 HydrophobicContact SD-CG 4.15Å; M60-R251 PolarHBondContact SD-NE 3.27Å; M60-Q378 HydrophobicContact CE-CG 4.44Å; M60-Q378 VanDerWaalsContact CE-NE2 3.33Å; M60-Q378 HydrophobicContact SD-CG 4.14Å; M60-I381 HydrophobicContact CE-CG2 3.68Å
61	F	82.1	Confident	90.1	Very high	124 Å²	124	31.3 Å²	31.3	54%	0.544	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	35.7	-179.9	-49.3	-75.2	0	0	0	112.9	D59 G63 I381	D59-F61 PolarHBondContact O-N 3.41Å; D59-F61 VanDerWaalsContact O-N 3.08Å; D59-F61 PolarHBondContact OD1-N 3.33Å; D59-F61 VanDerWaalsContact OD1-N 3.09Å; F61-G63 PolarHBondContact O-N 2.84Å; F61-I381 HydrophobicContact CD2-CD1 4.04Å; F61-I381 HydrophobicContact CE2-CD1 3.63Å
62	E	81.1	Confident	90.1	Very high	13 Å²	13	31.1 Å²	31.1	6%	0.061	16%	0.157	C	C	.	.			trans	-76.4	27.1	-179.8	-70.3	-179.8	168.1	0	0	113.6	D59 M60 R70 V112 T248 L249 R286	D59-E62 PolarHBondContact O-N 3.43Å; M60-E62 HydrophobicContact CB-CG 4.03Å; M60-E62 PolarHBondContact O-N 3.19Å; E62-R70 WeakPolarHBondContact OE1-CD 3.42Å; E62-R70 VanDerWaalsContact OE1-CG 3.29Å; E62-R70 WeakPolarHBondContact OE1-CG 3.34Å; E62-R70 IonicContact OE1-CZ 2.89Å; E62-R70 IonicContact OE1-NE 3.9Å; E62-R70 IonicContact OE1-NH1 3.75Å; E62-R70 PolarHBondContact OE1-NH1 2.87Å; E62-V112 HydrophobicContact CB-CG2 4.39Å; E62-V112 HydrophobicContact CG-CG2 4.08Å; E62-T248 WeakPolarHBondContact OE2-CA 3.46Å; E62-T248 WeakPolarHBondContact OE2-CB 3.32Å; E62-T248 PolarHBondContact OE2-OG1 2.62Å; E62-L249 PolarHBondContact OE1-N 3.43Å; E62-L249 PolarHBondContact OE2-N 2.89Å; E62-R286 PolarHBondContact O-NH2 3.16Å; E62-R286 IonicContact OE2-CZ 3.49Å; E62-R286 IonicContact OE2-NE 3.08Å; E62-R286 IonicContact OE2-NH2 2.69Å; E62-R286 PolarHBondContact OE2-NH2 3.38Å
63	G	80.6	Confident	90.5	Very high	2 Å²	2	30 Å²	30	2%	0.021	15%	0.151	C	C	.	.			trans	72.4	151.4	-169.6	0	0	0	0	0	112.9	N37 F61 R286	N37-G63 WeakPolarHBondContact OD1-CA 3.41Å; F61-G63 PolarHBondContact O-N 2.84Å; G63-R286 PolarHBondContact O-NH1 3.49Å; G63-R286 PolarHBondContact O-NH2 2.89Å
64	H	85.5	Confident	90.9	Very high	58 Å²	58	25.2 Å²	25.2	27%	0.269	13%	0.126	S	C	.	.	S	Bend	trans	-67	-42.4	-179.6	-73.5	178.8	0	0	0	112	N37 L39 Y41 P42 P66	N37-H64 PolarHBondContact O-CE1 3.25Å; N37-H64 PolarHBondContact O-ND1 2.94Å; L39-H64 WeakPolarHBondContact O-CB 3.37Å; L39-H64 PolarHBondContact O-ND1 3.23Å; Y41-H64 HydrophobicContact CD2-CB 3.74Å; Y41-H64 AromaticContact CD2-CD2 3.61Å; Y41-H64 AromaticContact CD2-CG 3.7Å; Y41-H64 HydrophobicContact CG-CB 4.43Å; P42-H64 WeakPolarHBondContact CD-O 3.41Å; H64-P66 WeakPolarHBondContact O-CD 3.36Å
65	A	86.2	Confident	91.2	Very high	8 Å²	8	22.9 Å²	22.9	7%	0.066	12%	0.116	C	C	.	.	S	Bend	trans	-117.3	91.4	-176.4	0	0	0	0	0	110.4	L39 Y67 F289	L39-A65 HydrophobicContact CB-CB 4.2Å; L39-A65 HydrophobicContact CD1-CB 4.08Å; A65-Y67 PolarHBondContact O-N 2.72Å; A65-F289 HydrophobicContact CB-CD1 4.36Å; A65-F289 HydrophobicContact CB-CE1 3.71Å; A65-F289 HydrophobicContact CB-CE2 4.37Å; A65-F289 HydrophobicContact CB-CZ 3.72Å
66	P	89.3	Confident	91.6	Very high	8 Å²	8	21.4 Å²	21.4	5%	0.052	10%	0.1	C	C	.	.			trans	-68.7	115.7	-171.7	26.4	-34	0	0	0	111.7	H64 R286 F289 L290	H64-P66 WeakPolarHBondContact O-CD 3.36Å; P66-R286 HydrophobicContact CG-CB 4.28Å; P66-R286 WeakPolarHBondContact CG-O 3.49Å; P66-F289 HydrophobicContact CG-CD1 4.3Å; P66-F289 WeakPolarHBondContact O-CD1 3.39Å; P66-L290 HydrophobicContact CG-CB 4.41Å
67	Y	92.2	Very high	91.8	Very high	100 Å²	100	23.8 Å²	23.8	39%	0.392	12%	0.12	S	C	.	.			trans	-100.9	1.7	176	67.3	-85.9	0	0	0	114.4	E36 A65	E36-Y67 VanDerWaalsContact CD-CE1 3.41Å; E36-Y67 HydrophobicContact CG-CE1 3.85Å; E36-Y67 WeakPolarHBondContact OE1-CE1 3.36Å; E36-Y67 PolarHBondContact OE1-OH 2.8Å; A65-Y67 PolarHBondContact O-N 2.72Å
68	K	92.9	Very high	91.9	Very high	19 Å²	19	29.2 Å²	29.2	8%	0.083	14%	0.14	C	C	.	.	S	Bend	trans	-147.3	149	178	60.8	-164.8	175.2	-169.8	0	109.1	P110 S111 S114 L290 F296	K68-P110 HydrophobicContact CB-CB 4.35Å; K68-S111 WeakPolarHBondContact CD-O 3.41Å; K68-S111 WeakPolarHBondContact CE-O 2.87Å; K68-S111 PolarHBondContact NZ-O 2.89Å; K68-S114 PolarHBondContact NZ-OG 3.42Å; K68-L290 VanDerWaalsContact C-CD1 3.49Å; K68-F296 HydrophobicContact CB-CD2 4.4Å; K68-F296 HydrophobicContact CB-CE2 4.41Å
69	P	95.5	Very high	92.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.135	C	C	.	.			trans	-60.8	152.6	171.4	-20	32.2	0	0	0	110.6	Y71 V72 G246 L290 F296 F297 F313	P69-Y71 VanDerWaalsContact C-N 3.33Å; P69-Y71 PolarHBondContact O-N 2.71Å; P69-V72 HydrophobicContact CB-CG2 4.01Å; P69-V72 HydrophobicContact CG-CG2 3.94Å; P69-G246 WeakPolarHBondContact CB-O 3.2Å; P69-L290 HydrophobicContact CB-CD2 4.37Å; P69-L290 HydrophobicContact CG-CD2 4.29Å; P69-F296 VanDerWaalsContact CD-CZ 3.4Å; P69-F296 HydrophobicContact CG-CD1 3.79Å; P69-F296 HydrophobicContact CG-CE1 3.42Å; P69-F296 VanDerWaalsContact CG-CE1 3.42Å; P69-F296 HydrophobicContact CG-CZ 3.88Å; P69-F297 HydrophobicContact CG-CE1 4.22Å; P69-F297 HydrophobicContact CG-CZ 3.99Å; P69-F313 HydrophobicContact CB-CD1 3.91Å; P69-F313 HydrophobicContact CB-CE1 3.53Å; P69-F313 HydrophobicContact CG-CD1 4.16Å; P69-F313 HydrophobicContact CG-CE1 3.59Å; P69-F313 HydrophobicContact CG-CZ 4.17Å
70	R	94.7	Very high	92.7	Very high	13 Å²	13	27.5 Å²	27.5	5%	0.049	13%	0.13	C	C	.	.	S	Bend	trans	-53.1	-53.9	172.5	-173.2	-169.9	178.2	66.9	11.1	110.7	E62 S111 V112 G246 S247	E62-R70 WeakPolarHBondContact OE1-CD 3.42Å; E62-R70 VanDerWaalsContact OE1-CG 3.29Å; E62-R70 WeakPolarHBondContact OE1-CG 3.34Å; E62-R70 IonicContact OE1-CZ 2.89Å; E62-R70 IonicContact OE1-NE 3.9Å; E62-R70 IonicContact OE1-NH1 3.75Å; E62-R70 PolarHBondContact OE1-NH1 2.87Å; R70-S111 WeakPolarHBondContact O-CA 3.45Å; R70-S111 WeakPolarHBondContact O-CB 3.33Å; R70-V112 HydrophobicContact CG-CB 4.21Å; R70-V112 HydrophobicContact CG-CG1 3.95Å; R70-V112 PolarHBondContact O-N 3.36Å; R70-G246 WeakPolarHBondContact CB-O 2.98Å; R70-G246 PolarHBondContact N-O 3.11Å; R70-S247 PolarHBondContact N-O 3.21Å; R70-S247 VanDerWaalsContact N-O 3.12Å
71	Y	96.1	Very high	93.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	138.9	-178.9	-61.3	-31.8	0	0	0	110.6	P69 V112 V117 V234 N238 L240 G245 G246 M316	P69-Y71 VanDerWaalsContact C-N 3.33Å; P69-Y71 PolarHBondContact O-N 2.71Å; Y71-V112 HydrophobicContact CE1-CG1 4.02Å; Y71-V117 HydrophobicContact CD1-CB 3.9Å; Y71-V117 HydrophobicContact CD1-CG1 3.68Å; Y71-V117 HydrophobicContact CD1-CG2 3.36Å; Y71-V117 HydrophobicContact CE1-CB 4.25Å; Y71-V117 HydrophobicContact CE1-CG1 3.77Å; Y71-V117 HydrophobicContact CE1-CG2 4.2Å; Y71-V117 HydrophobicContact CG-CG2 3.66Å; Y71-V234 HydrophobicContact CD2-CG2 3.66Å; Y71-V234 HydrophobicContact CE2-CG2 4Å; Y71-V234 HydrophobicContact CG-CG2 4.32Å; Y71-N238 WeakPolarHBondContact CE2-ND2 3.39Å; Y71-L240 HydrophobicContact CD2-CD1 3.85Å; Y71-L240 HydrophobicContact CG-CD1 4.47Å; Y71-G245 CarbonylContact O-C 3.51Å; Y71-G245 WeakPolarHBondContact O-CA 3.26Å; Y71-G246 PolarHBondContact N-O 3.27Å; Y71-G246 PolarHBondContact O-N 3.21Å; Y71-M316 HydrophobicContact CD2-CE 4.15Å; Y71-M316 HydrophobicContact CE2-CE 4.21Å
72	V	97.5	Very high	94	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130.8	176.8	-179.5	0	0	0	0	108.4	P69 P74 V109 P110 F296 L302 I308 F313	P69-V72 HydrophobicContact CB-CG2 4.01Å; P69-V72 HydrophobicContact CG-CG2 3.94Å; V72-P74 HydrophobicContact CG1-CG 4.15Å; V72-P74 WeakPolarHBondContact O-CD 3.47Å; V72-V109 HydrophobicContact CB-CG1 3.98Å; V72-V109 HydrophobicContact CG1-CG1 4.14Å; V72-P110 WeakPolarHBondContact CB-O 3.5Å; V72-P110 HydrophobicContact CG2-CG 4.26Å; V72-P110 WeakPolarHBondContact CG2-O 3.33Å; V72-F296 HydrophobicContact CG2-CZ 4.46Å; V72-L302 HydrophobicContact CG1-CD1 4.45Å; V72-I308 HydrophobicContact CG1-CD1 4.24Å; V72-I308 HydrophobicContact CG1-CG2 3.72Å; V72-F313 HydrophobicContact CG1-CZ 4.26Å; V72-F313 HydrophobicContact CG2-CE1 4.08Å; V72-F313 HydrophobicContact CG2-CZ 4.18Å
73	L	97.9	Very high	94.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	83.6	178.8	-76.2	66	0	0	0	108.9	Y118 V234 L240 A243 G244	L73-Y118 HydrophobicContact CB-CD1 3.75Å; L73-Y118 HydrophobicContact CB-CE1 4.15Å; L73-Y118 HydrophobicContact CB-CG 4.3Å; L73-Y118 HydrophobicContact CD2-CD1 4.45Å; L73-Y118 HydrophobicContact CD2-CG 4.42Å; L73-Y118 HydrophobicContact CG-CD1 3.72Å; L73-Y118 HydrophobicContact CG-CD2 4.37Å; L73-Y118 HydrophobicContact CG-CE1 4.28Å; L73-Y118 HydrophobicContact CG-CG 3.74Å; L73-V234 HydrophobicContact CD1-CG1 3.73Å; L73-V234 HydrophobicContact CD2-CG1 4.03Å; L73-V234 HydrophobicContact CG-CG1 3.9Å; L73-L240 HydrophobicContact CD1-CB 4.22Å; L73-L240 HydrophobicContact CD1-CD1 4.07Å; L73-L240 HydrophobicContact CD2-CB 3.83Å; L73-A243 CarbonylContact O-C 3.5Å; L73-A243 WeakPolarHBondContact O-CA 3.4Å; L73-A243 PolarHBondContact O-N 2.93Å; L73-G244 PolarHBondContact N-O 2.57Å; L73-G244 PolarHBondContact O-N 3.29Å
74	P	98.4	Very high	95.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.			trans	-63	151	179.1	-19.2	31.7	0	0	0	112.9	V72 Y76 V109 L307 I308	V72-P74 HydrophobicContact CG1-CG 4.15Å; V72-P74 WeakPolarHBondContact O-CD 3.47Å; P74-Y76 VanDerWaalsContact C-N 3.27Å; P74-Y76 HydrophobicContact CB-CD1 4.26Å; P74-Y76 HydrophobicContact CB-CE1 3.97Å; P74-Y76 HydrophobicContact CG-CE1 3.98Å; P74-Y76 HydrophobicContact CG-CE2 4.46Å; P74-Y76 PolarHBondContact O-N 2.8Å; P74-V109 HydrophobicContact CG-CB 4.44Å; P74-V109 HydrophobicContact CG-CG1 3.87Å; P74-V109 HydrophobicContact CG-CG2 3.61Å; P74-L307 WeakPolarHBondContact CA-O 3.28Å; P74-L307 HydrophobicContact CB-CB 4.47Å; P74-I308 HydrophobicContact CB-CG2 4.35Å
75	D	98.2	Very high	96.2	Very high	44 Å²	44	33.7 Å²	33.7	24%	0.235	18%	0.176	C	C	.	.			trans	-73.9	82.5	163.6	-170.5	-17.8	0	0	0	110.1	A77 R78 F79 A243 L307	D75-A77 PolarHBondContact O-N 2.96Å; D75-A77 WeakPolarHBondContact OD1-CB 3.29Å; D75-A77 PolarHBondContact OD1-N 3.45Å; D75-A77 VanDerWaalsContact OD1-N 3.16Å; D75-R78 HydrophobicContact CB-CB 4.07Å; D75-R78 PolarHBondContact O-N 3.03Å; D75-R78 PolarHBondContact OD1-N 2.92Å; D75-F79 PolarHBondContact O-N 3.1Å; D75-F79 VanDerWaalsContact O-N 3.16Å; D75-A243 HydrophobicContact CB-CB 4.12Å; D75-L307 PolarHBondContact N-O 3.1Å
76	Y	98.6	Very high	96.8	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-25	177.6	-66.6	-60.1	0	0	0	112.9	P74 F79 L80 L102 L105 Y106 V109 Y118 L125	P74-Y76 VanDerWaalsContact C-N 3.27Å; P74-Y76 HydrophobicContact CB-CD1 4.26Å; P74-Y76 HydrophobicContact CB-CE1 3.97Å; P74-Y76 HydrophobicContact CG-CE1 3.98Å; P74-Y76 HydrophobicContact CG-CE2 4.46Å; P74-Y76 PolarHBondContact O-N 2.8Å; Y76-F79 PolarHBondContact O-N 3.36Å; Y76-L80 WeakPolarHBondContact O-CB 3.15Å; Y76-L80 VanDerWaalsContact O-CG 3.3Å; Y76-L80 WeakPolarHBondContact O-CG 3.48Å; Y76-L80 PolarHBondContact O-N 3.47Å; Y76-L102 HydrophobicContact CD1-CD2 3.85Å; Y76-L102 HydrophobicContact CG-CD2 4.02Å; Y76-L105 HydrophobicContact CD1-CD2 3.57Å; Y76-L105 HydrophobicContact CD1-CG 4.49Å; Y76-L105 HydrophobicContact CE1-CD2 3.58Å; Y76-L105 HydrophobicContact CE1-CG 4.08Å; Y76-Y106 HydrophobicContact CD1-CE1 4.36Å; Y76-Y106 AromaticContact CE1-CD1 3.92Å; Y76-Y106 HydrophobicContact CE1-CD1 3.92Å; Y76-Y106 AromaticContact CE1-CE1 3.7Å; Y76-Y106 HydrophobicContact CE1-CE1 3.7Å; Y76-Y106 HydrophobicContact CE2-CE1 4.07Å; Y76-Y106 AromaticContact CZ-CD1 3.86Å; Y76-Y106 AromaticContact CZ-CE1 3.53Å; Y76-Y106 WeakPolarHBondContact OH-CD1 3.44Å; Y76-V109 HydrophobicContact CE1-CG2 4.41Å; Y76-Y118 HydrophobicContact CD2-CD1 4.32Å; Y76-Y118 HydrophobicContact CD2-CE1 4.2Å; Y76-Y118 AromaticContact CE2-CD1 3.75Å; Y76-Y118 HydrophobicContact CE2-CD1 3.75Å; Y76-Y118 HydrophobicContact CE2-CE1 4.09Å; Y76-Y118 WeakPolarHBondContact CE2-O 3.41Å; Y76-Y118 PolarHBondContact OH-O 3.19Å; Y76-L125 HydrophobicContact CD2-CD1 4.24Å; Y76-L125 HydrophobicContact CG-CD1 4.33Å
77	A	97.9	Very high	97.2	Very high	50 Å²	50	41.3 Å²	41.3	41%	0.413	20%	0.204	S	C	.	.	H	α-helix	trans	-67.6	-45.2	177.9	0	0	0	0	0	110.2	D75 F79 L80 A81 L125	D75-A77 PolarHBondContact O-N 2.96Å; D75-A77 WeakPolarHBondContact OD1-CB 3.29Å; D75-A77 PolarHBondContact OD1-N 3.45Å; D75-A77 VanDerWaalsContact OD1-N 3.16Å; A77-F79 VanDerWaalsContact C-N 3.35Å; A77-L80 PolarHBondContact O-N 3.16Å; A77-A81 WeakPolarHBondContact O-CB 3.26Å; A77-A81 PolarHBondContact O-N 3.01Å; A77-L125 HydrophobicContact CB-CD2 3.67Å; A77-L125 VanDerWaalsContact N-CD2 3.3Å
78	R	98.1	Very high	97.5	Very high	115 Å²	115	45.1 Å²	45.1	43%	0.434	23%	0.225	S	C	.	.	H	α-helix	trans	-61.2	-42.6	174.1	-178.2	177.4	177.5	140.7	4.1	112.2	D75 A81 N82 E305 G306 L307	D75-R78 HydrophobicContact CB-CB 4.07Å; D75-R78 PolarHBondContact O-N 3.03Å; D75-R78 PolarHBondContact OD1-N 2.92Å; R78-A81 PolarHBondContact O-N 3.38Å; R78-N82 WeakPolarHBondContact O-CB 3.35Å; R78-N82 PolarHBondContact O-N 2.96Å; R78-N82 VanDerWaalsContact O-N 3.08Å; R78-N82 PolarHBondContact O-ND2 3.45Å; R78-E305 PolarHBondContact NE-O 2.84Å; R78-E305 PolarHBondContact NH2-O 2.81Å; R78-G306 WeakPolarHBondContact CD-O 3.47Å; R78-L307 HydrophobicContact CB-CD2 4.19Å; R78-L307 HydrophobicContact CG-CD2 4.08Å
79	F	98.7	Very high	97.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.3	-47.3	176.6	173.6	-107.8	0	0	0	111.9	D75 Y76 A77 A81 N82 G83 L87 L89 L101 L105 L307	D75-F79 PolarHBondContact O-N 3.1Å; D75-F79 VanDerWaalsContact O-N 3.16Å; Y76-F79 PolarHBondContact O-N 3.36Å; A77-F79 VanDerWaalsContact C-N 3.35Å; F79-A81 VanDerWaalsContact C-N 3.29Å; F79-A81 PolarHBondContact O-N 2.7Å; F79-N82 PolarHBondContact O-N 3.02Å; F79-G83 WeakPolarHBondContact CD2-O 3.45Å; F79-G83 VanDerWaalsContact O-CA 3.29Å; F79-G83 WeakPolarHBondContact O-CA 3.31Å; F79-G83 PolarHBondContact O-N 2.81Å; F79-L87 HydrophobicContact CE2-CD1 4.08Å; F79-L87 HydrophobicContact CZ-CD1 4.27Å; F79-L89 HydrophobicContact CZ-CD1 4.02Å; F79-L101 HydrophobicContact CE1-CB 3.75Å; F79-L101 HydrophobicContact CE1-CD2 4.32Å; F79-L101 HydrophobicContact CE1-CG 4.16Å; F79-L101 WeakPolarHBondContact CE1-O 3.08Å; F79-L101 HydrophobicContact CZ-CB 4.3Å; F79-L101 HydrophobicContact CZ-CG 4.3Å; F79-L105 HydrophobicContact CB-CD2 3.9Å; F79-L105 HydrophobicContact CD1-CB 4.08Å; F79-L105 HydrophobicContact CD1-CD2 3.38Å; F79-L105 HydrophobicContact CD1-CG 4.33Å; F79-L105 HydrophobicContact CD2-CD2 3.85Å; F79-L105 HydrophobicContact CE1-CB 3.52Å; F79-L105 HydrophobicContact CE1-CD2 3.75Å; F79-L105 HydrophobicContact CE1-CG 4.22Å; F79-L105 HydrophobicContact CE2-CB 4.33Å; F79-L105 HydrophobicContact CE2-CD1 4.44Å; F79-L105 HydrophobicContact CE2-CD2 4.19Å; F79-L105 HydrophobicContact CG-CD2 3.42Å; F79-L105 VanDerWaalsContact CG-CD2 3.42Å; F79-L105 HydrophobicContact CZ-CB 3.69Å; F79-L105 HydrophobicContact CZ-CD2 4.16Å; F79-L105 HydrophobicContact CZ-CG 4.35Å; F79-L307 HydrophobicContact CB-CD1 4.11Å; F79-L307 HydrophobicContact CB-CD2 3.78Å; F79-L307 HydrophobicContact CD2-CD1 4.05Å; F79-L307 HydrophobicContact CG-CD1 4.41Å
80	L	98.7	Very high	97.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-36.5	178.1	-73.3	-179	0	0	0	112.5	Y76 A77 G91 A92 A98 L101 L102 L125 Y129	Y76-L80 WeakPolarHBondContact O-CB 3.15Å; Y76-L80 VanDerWaalsContact O-CG 3.3Å; Y76-L80 WeakPolarHBondContact O-CG 3.48Å; Y76-L80 PolarHBondContact O-N 3.47Å; A77-L80 PolarHBondContact O-N 3.16Å; L80-G91 CarbonylContact O-C 3.39Å; L80-G91 VanDerWaalsContact O-CA 3.32Å; L80-G91 WeakPolarHBondContact O-CA 3.45Å; L80-A92 HydrophobicContact CD2-CB 4.29Å; L80-A92 PolarHBondContact O-N 3.4Å; L80-A98 HydrophobicContact CD1-CB 4.31Å; L80-A98 HydrophobicContact CD2-CB 4.08Å; L80-L101 HydrophobicContact CD2-CB 3.75Å; L80-L101 HydrophobicContact CD2-CD2 4.06Å; L80-L102 HydrophobicContact CD1-CD1 4.4Å; L80-L102 HydrophobicContact CD1-CD2 4.22Å; L80-L102 HydrophobicContact CD1-CG 4.26Å; L80-L102 HydrophobicContact CD2-CD2 4.29Å; L80-L102 HydrophobicContact CD2-CG 4.1Å; L80-L102 HydrophobicContact CG-CD2 4.24Å; L80-L102 HydrophobicContact CG-CG 4.46Å; L80-L125 HydrophobicContact CD1-CB 4.33Å; L80-Y129 HydrophobicContact CB-CE2 4.11Å; L80-Y129 WeakPolarHBondContact CB-OH 3.38Å; L80-Y129 HydrophobicContact CD1-CE2 3.91Å
81	A	98.2	Very high	98	Very high	61 Å²	61	53 Å²	53	50%	0.504	27%	0.269	S	S	.	.	H	α-helix	trans	-70.6	-38.5	179.2	0	0	0	0	0	113.3	A77 R78 F79	A77-A81 WeakPolarHBondContact O-CB 3.26Å; A77-A81 PolarHBondContact O-N 3.01Å; R78-A81 PolarHBondContact O-N 3.38Å; F79-A81 VanDerWaalsContact C-N 3.29Å; F79-A81 PolarHBondContact O-N 2.7Å
82	N	98	Very high	98.1	Very high	110 Å²	110	53.7 Å²	53.7	59%	0.588	27%	0.274	S	S	*	.	H	α-helix	trans	-108	-17.6	-169.5	-61.2	-38.6	0	0	0	114.2	R78 F79	R78-N82 WeakPolarHBondContact O-CB 3.35Å; R78-N82 PolarHBondContact O-N 2.96Å; R78-N82 VanDerWaalsContact O-N 3.08Å; R78-N82 PolarHBondContact O-ND2 3.45Å; F79-N82 PolarHBondContact O-N 3.02Å
83	G	97.6	Very high	98	Very high	5 Å²	5	59.5 Å²	59.5	5%	0.052	30%	0.3	C	S	.	.			trans	71.7	-151.7	-165.5	0	0	0	0	0	111.8	F79 L89	F79-G83 WeakPolarHBondContact CD2-O 3.45Å; F79-G83 VanDerWaalsContact O-CA 3.29Å; F79-G83 WeakPolarHBondContact O-CA 3.31Å; F79-G83 PolarHBondContact O-N 2.81Å; G83-L89 CarbonylContact C-O 3.6Å; G83-L89 WeakPolarHBondContact CA-O 3.42Å
84	S	98.3	Very high	98	Very high	4 Å²	4	62.5 Å²	62.5	3%	0.028	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-147.8	124.4	175.9	166.3	0	0	0	0	109.3	W86 L87 E88 L89 E305	S84-W86 VanDerWaalsContact C-N 3.29Å; S84-W86 PolarHBondContact OG-N 3.48Å; S84-L87 PolarHBondContact O-N 2.99Å; S84-L87 PolarHBondContact OG-N 3.17Å; S84-E88 PolarHBondContact O-N 3.13Å; S84-L89 PolarHBondContact N-O 3.27Å; S84-L89 PolarHBondContact O-N 3.44Å; S84-E305 WeakPolarHBondContact CB-OE2 3.3Å; S84-E305 PolarHBondContact OG-OE1 2.98Å; S84-E305 PolarHBondContact OG-OE2 3.39Å
85	E	97.7	Very high	98	Very high	168 Å²	168	62.6 Å²	62.6	79%	0.785	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-39.1	174.2	-173.8	-171.7	168.3	0	0	109.8	L87 E88 E305	E85-L87 VanDerWaalsContact C-N 3.34Å; E85-L87 PolarHBondContact O-N 3.49Å; E85-E88 PolarHBondContact O-N 3.17Å; E85-E305 PolarHBondContact N-OE1 3.46Å; E85-E305 VanDerWaalsContact N-OE1 3.13Å
86	W	98	Very high	98	Very high	147 Å²	147	64.1 Å²	64.1	56%	0.557	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-35.5	180	-170.1	85.3	0	0	0	112.9	S84 H108 F301 E305	S84-W86 VanDerWaalsContact C-N 3.29Å; S84-W86 PolarHBondContact OG-N 3.48Å; W86-H108 AromaticContact CZ3-ND1 3.82Å; W86-F301 HydrophobicContact CB-CB 3.92Å; W86-F301 HydrophobicContact CB-CD2 3.97Å; W86-F301 HydrophobicContact CB-CG 4.12Å; W86-F301 HydrophobicContact CD2-CB 3.95Å; W86-F301 HydrophobicContact CD2-CD1 4.01Å; W86-F301 HydrophobicContact CD2-CD2 4.24Å; W86-F301 AromaticContact CD2-CG 3.79Å; W86-F301 HydrophobicContact CD2-CG 3.79Å; W86-F301 AromaticContact CE3-CD1 3.81Å; W86-F301 HydrophobicContact CE3-CD1 3.81Å; W86-F301 HydrophobicContact CE3-CD2 4.05Å; W86-F301 AromaticContact CE3-CE1 3.98Å; W86-F301 HydrophobicContact CE3-CE1 3.98Å; W86-F301 HydrophobicContact CE3-CE2 4.2Å; W86-F301 AromaticContact CE3-CG 3.85Å; W86-F301 HydrophobicContact CE3-CG 3.85Å; W86-F301 HydrophobicContact CE3-CZ 4.16Å; W86-F301 HydrophobicContact CG-CB 3.63Å; W86-F301 HydrophobicContact CG-CD2 4.21Å; W86-F301 AromaticContact CG-CG 3.89Å; W86-F301 HydrophobicContact CG-CG 3.89Å; W86-F301 HydrophobicContact CZ3-CD1 4.15Å; W86-F301 HydrophobicContact CZ3-CE1 4.05Å; W86-F301 HydrophobicContact CZ3-CZ 4.43Å; W86-E305 WeakPolarHBondContact CB-OE1 3.34Å; W86-E305 PolarHBondContact N-OE1 3.27Å
87	L	97.8	Very high	97.9	Very high	28 Å²	28	66.6 Å²	66.6	15%	0.147	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-1.1	175.2	-64	172.8	0	0	0	113.5	F79 S84 E85 L89 I104 L105 F301	F79-L87 HydrophobicContact CE2-CD1 4.08Å; F79-L87 HydrophobicContact CZ-CD1 4.27Å; S84-L87 PolarHBondContact O-N 2.99Å; S84-L87 PolarHBondContact OG-N 3.17Å; E85-L87 VanDerWaalsContact C-N 3.34Å; E85-L87 PolarHBondContact O-N 3.49Å; L87-L89 VanDerWaalsContact C-N 3.31Å; L87-L89 HydrophobicContact CB-CD1 3.77Å; L87-L89 HydrophobicContact CB-CG 3.88Å; L87-L89 HydrophobicContact CD1-CD1 4.12Å; L87-L89 PolarHBondContact O-N 2.94Å; L87-I104 HydrophobicContact CD1-CG2 4.34Å; L87-L105 HydrophobicContact CD1-CD1 4.28Å; L87-F301 HydrophobicContact CD1-CE2 4.26Å; L87-F301 HydrophobicContact CD1-CZ 4.42Å; L87-F301 HydrophobicContact CG-CE2 4.35Å
88	E	98.1	Very high	98	Very high	181 Å²	181	64.2 Å²	64.2	85%	0.846	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	41.4	-176.1	-55.4	175.4	-145.4	0	0	113	S84 E85	S84-E88 PolarHBondContact O-N 3.13Å; E85-E88 PolarHBondContact O-N 3.17Å
89	L	97.9	Very high	98	Very high	43 Å²	43	59.4 Å²	59.4	23%	0.225	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-115.5	135.4	-177.9	-61.7	174.4	0	0	0	111.4	F79 G83 S84 L87 L101 I104	F79-L89 HydrophobicContact CZ-CD1 4.02Å; G83-L89 CarbonylContact C-O 3.6Å; G83-L89 WeakPolarHBondContact CA-O 3.42Å; S84-L89 PolarHBondContact N-O 3.27Å; S84-L89 PolarHBondContact O-N 3.44Å; L87-L89 VanDerWaalsContact C-N 3.31Å; L87-L89 HydrophobicContact CB-CD1 3.77Å; L87-L89 HydrophobicContact CB-CG 3.88Å; L87-L89 HydrophobicContact CD1-CD1 4.12Å; L87-L89 PolarHBondContact O-N 2.94Å; L89-L101 HydrophobicContact CD1-CG 4.48Å; L89-I104 HydrophobicContact CD1-CB 4.35Å; L89-I104 HydrophobicContact CD1-CD1 4.02Å; L89-I104 HydrophobicContact CD1-CG2 3.97Å; L89-I104 HydrophobicContact CD2-CD1 4.08Å
90	E	97.8	Very high	98	Very high	138 Å²	138	62.2 Å²	62.2	65%	0.645	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-80	158.8	165.5	-62.7	-175.6	177	0	0	110.9	K93 L101	E90-K93 IonicContact OE2-NZ 2.72Å; E90-K93 PolarHBondContact OE2-NZ 3.02Å; E90-L101 WeakPolarHBondContact O-CD2 3.35Å
91	G	98	Very high	98	Very high	17 Å²	17	62.8 Å²	62.8	18%	0.175	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-62.6	152.9	172.6	0	0	0	0	0	113.2	L80	L80-G91 CarbonylContact O-C 3.39Å; L80-G91 VanDerWaalsContact O-CA 3.32Å; L80-G91 WeakPolarHBondContact O-CA 3.45Å
92	A	98.2	Very high	98	Very high	14 Å²	14	59.9 Å²	59.9	12%	0.116	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-66.6	137.3	-177	0	0	0	0	0	112.4	L80 D97 A98 L101 Y129	L80-A92 HydrophobicContact CD2-CB 4.29Å; L80-A92 PolarHBondContact O-N 3.4Å; A92-D97 HydrophobicContact CB-CB 3.79Å; A92-A98 HydrophobicContact CB-CB 3.91Å; A92-L101 HydrophobicContact CB-CD2 4.17Å; A92-Y129 HydrophobicContact CB-CD1 4Å; A92-Y129 HydrophobicContact CB-CE1 3.68Å; A92-Y129 VanDerWaalsContact O-CE1 3.29Å; A92-Y129 WeakPolarHBondContact O-CE1 3.42Å
93	K	97.1	Very high	98	Very high	122 Å²	122	55.7 Å²	55.7	53%	0.53	28%	0.278	S	S	.	.	S	Bend	trans	-107.2	-21.3	178	-61.1	165.6	-172.2	160.5	0	112.4	E90 D97 R131	E90-K93 IonicContact OE2-NZ 2.72Å; E90-K93 PolarHBondContact OE2-NZ 3.02Å; K93-D97 WeakPolarHBondContact CB-OD2 3.2Å; K93-D97 PolarHBondContact N-OD2 3.32Å; K93-R131 PolarHBondContact O-NH1 2.91Å
94	D	97.4	Very high	98	Very high	62 Å²	62	58 Å²	58	33%	0.332	29%	0.289	S	S	.	.	S	Bend	trans	-151.4	-178.5	178.1	63.7	39.2	0	0	0	111.9	D96 D97 A98	D94-D96 VanDerWaalsContact C-N 3.3Å; D94-D96 PolarHBondContact O-N 2.96Å; D94-D96 PolarHBondContact OD1-N 2.9Å; D94-D97 PolarHBondContact O-N 2.95Å; D94-D97 PolarHBondContact OD1-N 2.93Å; D94-A98 WeakPolarHBondContact O-CB 3.32Å; D94-A98 PolarHBondContact O-N 3.44Å
95	L	98	Very high	98	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-65.3	-34	-175.8	-178.1	60.8	0	0	0	112.2	A98 L99 L126 Y129 L133 R141 I169	L95-A98 PolarHBondContact O-N 3Å; L95-L99 HydrophobicContact CD1-CD1 4.26Å; L95-L99 HydrophobicContact CD1-CG 4.11Å; L95-L99 HydrophobicContact CG-CD1 4.04Å; L95-L99 HydrophobicContact CG-CG 4.33Å; L95-L99 WeakPolarHBondContact O-CB 3.45Å; L95-L99 WeakPolarHBondContact O-CG 3.4Å; L95-L99 PolarHBondContact O-N 3.4Å; L95-L126 HydrophobicContact CD1-CB 4.04Å; L95-L126 HydrophobicContact CD1-CD2 4.04Å; L95-L126 HydrophobicContact CD1-CG 4.42Å; L95-Y129 PolarHBondContact N-O 3.26Å; L95-L133 HydrophobicContact CB-CD1 3.97Å; L95-L133 HydrophobicContact CD2-CD1 3.64Å; L95-L133 HydrophobicContact CG-CD1 4.45Å; L95-R141 HydrophobicContact CD2-CB 4.42Å; L95-I169 HydrophobicContact CD1-CD1 4.47Å
96	D	97.4	Very high	98	Very high	76 Å²	76	49.9 Å²	49.9	41%	0.406	25%	0.25	S	C	.	.	H	α-helix	trans	-71.5	-40.3	-178.8	-71.4	-42.8	0	0	0	110	D94 S100 R141	D94-D96 VanDerWaalsContact C-N 3.3Å; D94-D96 PolarHBondContact O-N 2.96Å; D94-D96 PolarHBondContact OD1-N 2.9Å; D96-S100 VanDerWaalsContact O-CB 3.31Å; D96-S100 WeakPolarHBondContact O-CB 3.33Å; D96-S100 PolarHBondContact O-N 3.23Å; D96-R141 VanDerWaalsContact CG-NE 3.33Å; D96-R141 WeakPolarHBondContact OD1-CD 3.44Å; D96-R141 IonicContact OD1-CZ 3.57Å; D96-R141 IonicContact OD1-NE 3.01Å; D96-R141 PolarHBondContact OD1-NE 3.19Å; D96-R141 IonicContact OD1-NH2 2.85Å; D96-R141 IonicContact OD2-CZ 2.8Å; D96-R141 IonicContact OD2-NE 3.45Å; D96-R141 PolarHBondContact OD2-NE 3.5Å; D96-R141 VanDerWaalsContact OD2-NE 3.1Å; D96-R141 IonicContact OD2-NH2 3.79Å; D96-R141 PolarHBondContact OD2-NH2 2.72Å
97	D	97.9	Very high	97.9	Very high	55 Å²	55	47.9 Å²	47.9	29%	0.294	25%	0.247	S	C	.	.	H	α-helix	trans	-58.8	-50.3	168.7	-73.3	-18	0	0	0	111.1	A92 K93 D94 L99 S100 L101	A92-D97 HydrophobicContact CB-CB 3.79Å; K93-D97 WeakPolarHBondContact CB-OD2 3.2Å; K93-D97 PolarHBondContact N-OD2 3.32Å; D94-D97 PolarHBondContact O-N 2.95Å; D94-D97 PolarHBondContact OD1-N 2.93Å; D97-L99 PolarHBondContact O-N 2.89Å; D97-S100 WeakPolarHBondContact O-CB 3.48Å; D97-S100 PolarHBondContact O-N 2.97Å; D97-S100 VanDerWaalsContact O-N 3.16Å; D97-L101 WeakPolarHBondContact O-CB 3.45Å; D97-L101 VanDerWaalsContact O-CD1 3.28Å; D97-L101 WeakPolarHBondContact O-CD1 3.44Å; D97-L101 PolarHBondContact O-N 3.14Å
98	A	98.6	Very high	97.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.7	-44	-175.8	0	0	0	0	0	112.2	L80 A92 D94 L95 L102 L126 Y129	L80-A98 HydrophobicContact CD1-CB 4.31Å; L80-A98 HydrophobicContact CD2-CB 4.08Å; A92-A98 HydrophobicContact CB-CB 3.91Å; D94-A98 WeakPolarHBondContact O-CB 3.32Å; D94-A98 PolarHBondContact O-N 3.44Å; L95-A98 PolarHBondContact O-N 3Å; A98-L102 WeakPolarHBondContact O-CB 3.4Å; A98-L102 VanDerWaalsContact O-CG 3.31Å; A98-L102 WeakPolarHBondContact O-CG 3.37Å; A98-L102 PolarHBondContact O-N 2.88Å; A98-L126 HydrophobicContact CB-CD2 3.87Å; A98-Y129 HydrophobicContact CB-CD1 4.49Å; A98-Y129 HydrophobicContact CB-CD2 3.8Å; A98-Y129 HydrophobicContact CB-CE2 4.33Å; A98-Y129 HydrophobicContact CB-CG 3.89Å
99	L	98.5	Very high	97.7	Very high	15 Å²	15	41.7 Å²	41.7	8%	0.079	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-45.2	175.3	-67.9	173.8	0	0	0	111.1	L95 D97 L102 T103 L126 R141 F145	L95-L99 HydrophobicContact CD1-CD1 4.26Å; L95-L99 HydrophobicContact CD1-CG 4.11Å; L95-L99 HydrophobicContact CG-CD1 4.04Å; L95-L99 HydrophobicContact CG-CG 4.33Å; L95-L99 WeakPolarHBondContact O-CB 3.45Å; L95-L99 WeakPolarHBondContact O-CG 3.4Å; L95-L99 PolarHBondContact O-N 3.4Å; D97-L99 PolarHBondContact O-N 2.89Å; L99-L102 PolarHBondContact O-N 3.43Å; L99-T103 WeakPolarHBondContact O-CG2 3.36Å; L99-T103 PolarHBondContact O-N 3.16Å; L99-T103 PolarHBondContact O-OG1 3.48Å; L99-L126 HydrophobicContact CD2-CD1 3.83Å; L99-L126 HydrophobicContact CD2-CD2 4.04Å; L99-R141 HydrophobicContact CD1-CB 3.98Å; L99-F145 HydrophobicContact CD2-CB 4.04Å; L99-F145 HydrophobicContact CD2-CD1 3.88Å; L99-F145 HydrophobicContact CD2-CD2 3.86Å; L99-F145 HydrophobicContact CD2-CE1 4.22Å; L99-F145 HydrophobicContact CD2-CE2 4.2Å; L99-F145 HydrophobicContact CD2-CG 3.68Å; L99-F145 HydrophobicContact CD2-CZ 4.36Å
100	S	98.1	Very high	97.5	Very high	59 Å²	59	41.1 Å²	41.1	41%	0.413	22%	0.216	S	C	.	.	H	α-helix	trans	-58.6	-52.6	177.3	-174.4	0	0	0	0	111.6	D96 D97 L102 T103 I104	D96-S100 VanDerWaalsContact O-CB 3.31Å; D96-S100 WeakPolarHBondContact O-CB 3.33Å; D96-S100 PolarHBondContact O-N 3.23Å; D97-S100 WeakPolarHBondContact O-CB 3.48Å; D97-S100 PolarHBondContact O-N 2.97Å; D97-S100 VanDerWaalsContact O-N 3.16Å; S100-L102 PolarHBondContact O-N 3.31Å; S100-T103 PolarHBondContact O-N 3.29Å; S100-T103 VanDerWaalsContact O-N 3.13Å; S100-T103 PolarHBondContact O-OG1 2.99Å; S100-I104 WeakPolarHBondContact O-CG1 3.2Å; S100-I104 PolarHBondContact O-N 3.34Å
101	L	98.7	Very high	97.3	Very high	12 Å²	12	34.6 Å²	34.6	6%	0.063	19%	0.186	C	C	.	.	H	α-helix	trans	-55.9	-49.2	178.6	-97.4	66.8	0	0	0	111.9	F79 L80 L89 E90 A92 D97 T103 I104 L105	F79-L101 HydrophobicContact CE1-CB 3.75Å; F79-L101 HydrophobicContact CE1-CD2 4.32Å; F79-L101 HydrophobicContact CE1-CG 4.16Å; F79-L101 WeakPolarHBondContact CE1-O 3.08Å; F79-L101 HydrophobicContact CZ-CB 4.3Å; F79-L101 HydrophobicContact CZ-CG 4.3Å; L80-L101 HydrophobicContact CD2-CB 3.75Å; L80-L101 HydrophobicContact CD2-CD2 4.06Å; L89-L101 HydrophobicContact CD1-CG 4.48Å; E90-L101 WeakPolarHBondContact O-CD2 3.35Å; A92-L101 HydrophobicContact CB-CD2 4.17Å; D97-L101 WeakPolarHBondContact O-CB 3.45Å; D97-L101 VanDerWaalsContact O-CD1 3.28Å; D97-L101 WeakPolarHBondContact O-CD1 3.44Å; D97-L101 PolarHBondContact O-N 3.14Å; L101-T103 VanDerWaalsContact C-N 3.33Å; L101-T103 PolarHBondContact O-N 3.45Å; L101-I104 PolarHBondContact O-N 2.93Å; L101-L105 PolarHBondContact O-N 3Å
102	L	98.6	Very high	96.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.8	-47.5	177	-74.2	177.9	0	0	0	111.1	Y76 L80 A98 L99 S100 I104 L105 Y106 L122 L126	Y76-L102 HydrophobicContact CD1-CD2 3.85Å; Y76-L102 HydrophobicContact CG-CD2 4.02Å; L80-L102 HydrophobicContact CD1-CD1 4.4Å; L80-L102 HydrophobicContact CD1-CD2 4.22Å; L80-L102 HydrophobicContact CD1-CG 4.26Å; L80-L102 HydrophobicContact CD2-CD2 4.29Å; L80-L102 HydrophobicContact CD2-CG 4.1Å; L80-L102 HydrophobicContact CG-CD2 4.24Å; L80-L102 HydrophobicContact CG-CG 4.46Å; A98-L102 WeakPolarHBondContact O-CB 3.4Å; A98-L102 VanDerWaalsContact O-CG 3.31Å; A98-L102 WeakPolarHBondContact O-CG 3.37Å; A98-L102 PolarHBondContact O-N 2.88Å; L99-L102 PolarHBondContact O-N 3.43Å; S100-L102 PolarHBondContact O-N 3.31Å; L102-I104 PolarHBondContact O-N 3.49Å; L102-L105 PolarHBondContact O-N 2.98Å; L102-Y106 HydrophobicContact CB-CE1 4.46Å; L102-Y106 HydrophobicContact CB-CE2 3.85Å; L102-Y106 HydrophobicContact CD2-CE1 4.33Å; L102-Y106 WeakPolarHBondContact O-CB 3.47Å; L102-Y106 WeakPolarHBondContact O-CD2 3.45Å; L102-Y106 PolarHBondContact O-N 3.15Å; L102-L122 HydrophobicContact CD1-CD2 4.18Å; L102-L126 HydrophobicContact CD1-CD2 3.84Å
103	T	97.7	Very high	95.9	Very high	22 Å²	22	35.8 Å²	35.8	14%	0.135	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-32.4	179	59.9	0	0	0	0	113.2	L99 S100 L101 H107 F145 Y148	L99-T103 WeakPolarHBondContact O-CG2 3.36Å; L99-T103 PolarHBondContact O-N 3.16Å; L99-T103 PolarHBondContact O-OG1 3.48Å; S100-T103 PolarHBondContact O-N 3.29Å; S100-T103 VanDerWaalsContact O-N 3.13Å; S100-T103 PolarHBondContact O-OG1 2.99Å; L101-T103 VanDerWaalsContact C-N 3.33Å; L101-T103 PolarHBondContact O-N 3.45Å; T103-H107 PolarHBondContact O-CD2 2.85Å; T103-F145 HydrophobicContact CG2-CD2 3.82Å; T103-F145 HydrophobicContact CG2-CE2 3.64Å; T103-Y148 HydrophobicContact CG2-CD1 3.56Å; T103-Y148 HydrophobicContact CG2-CE1 3.35Å; T103-Y148 HydrophobicContact CG2-CG 4.41Å
104	I	98.3	Very high	95.3	Very high	54 Å²	54	32.6 Å²	32.6	28%	0.277	18%	0.181	S	C	.	.	H	α-helix	trans	-69.6	-56.5	174.3	-64.1	162.5	0	0	0	109.5	L87 L89 S100 L101 L102 Y106 H107 H108	L87-I104 HydrophobicContact CD1-CG2 4.34Å; L89-I104 HydrophobicContact CD1-CB 4.35Å; L89-I104 HydrophobicContact CD1-CD1 4.02Å; L89-I104 HydrophobicContact CD1-CG2 3.97Å; L89-I104 HydrophobicContact CD2-CD1 4.08Å; S100-I104 WeakPolarHBondContact O-CG1 3.2Å; S100-I104 PolarHBondContact O-N 3.34Å; L101-I104 PolarHBondContact O-N 2.93Å; L102-I104 PolarHBondContact O-N 3.49Å; I104-Y106 VanDerWaalsContact C-N 3.26Å; I104-Y106 PolarHBondContact O-N 3.03Å; I104-H107 PolarHBondContact O-N 2.96Å; I104-H107 VanDerWaalsContact O-N 3.07Å; I104-H108 PolarHBondContact O-CD2 3.23Å; I104-H108 VanDerWaalsContact O-CD2 3.31Å
105	L	98.3	Very high	94.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.5	-36.5	-175.6	179.9	60.5	0	0	0	112.6	Y76 F79 L87 L101 L102 H107 H108 V109 F301 L302 L307	Y76-L105 HydrophobicContact CD1-CD2 3.57Å; Y76-L105 HydrophobicContact CD1-CG 4.49Å; Y76-L105 HydrophobicContact CE1-CD2 3.58Å; Y76-L105 HydrophobicContact CE1-CG 4.08Å; F79-L105 HydrophobicContact CB-CD2 3.9Å; F79-L105 HydrophobicContact CD1-CB 4.08Å; F79-L105 HydrophobicContact CD1-CD2 3.38Å; F79-L105 HydrophobicContact CD1-CG 4.33Å; F79-L105 HydrophobicContact CD2-CD2 3.85Å; F79-L105 HydrophobicContact CE1-CB 3.52Å; F79-L105 HydrophobicContact CE1-CD2 3.75Å; F79-L105 HydrophobicContact CE1-CG 4.22Å; F79-L105 HydrophobicContact CE2-CB 4.33Å; F79-L105 HydrophobicContact CE2-CD1 4.44Å; F79-L105 HydrophobicContact CE2-CD2 4.19Å; F79-L105 HydrophobicContact CG-CD2 3.42Å; F79-L105 VanDerWaalsContact CG-CD2 3.42Å; F79-L105 HydrophobicContact CZ-CB 3.69Å; F79-L105 HydrophobicContact CZ-CD2 4.16Å; F79-L105 HydrophobicContact CZ-CG 4.35Å; L87-L105 HydrophobicContact CD1-CD1 4.28Å; L101-L105 PolarHBondContact O-N 3Å; L102-L105 PolarHBondContact O-N 2.98Å; L105-H107 PolarHBondContact O-N 3.43Å; L105-H107 VanDerWaalsContact O-N 3.14Å; L105-H108 HydrophobicContact CD1-CB 4.45Å; L105-H108 CarbonylContact O-C 3.57Å; L105-H108 WeakPolarHBondContact O-CA 3.48Å; L105-H108 WeakPolarHBondContact O-CB 3.36Å; L105-H108 PolarHBondContact O-N 2.73Å; L105-V109 HydrophobicContact CD1-CG2 4.43Å; L105-V109 HydrophobicContact CG-CG2 4.18Å; L105-V109 WeakPolarHBondContact O-CG2 2.97Å; L105-V109 PolarHBondContact O-N 3.28Å; L105-F301 HydrophobicContact CD1-CE2 4.27Å; L105-F301 HydrophobicContact CD1-CZ 4.02Å; L105-L302 HydrophobicContact CD1-CD2 3.96Å; L105-L307 HydrophobicContact CD1-CD1 4.46Å; L105-L307 HydrophobicContact CD2-CD1 4.26Å
106	Y	97.7	Very high	94.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-52.6	-34	176.5	-72.7	-19.9	0	0	0	113.8	Y76 L102 I104 H108 P116 L119 L122 F145 L149 L153	Y76-Y106 HydrophobicContact CD1-CE1 4.36Å; Y76-Y106 AromaticContact CE1-CD1 3.92Å; Y76-Y106 HydrophobicContact CE1-CD1 3.92Å; Y76-Y106 AromaticContact CE1-CE1 3.7Å; Y76-Y106 HydrophobicContact CE1-CE1 3.7Å; Y76-Y106 HydrophobicContact CE2-CE1 4.07Å; Y76-Y106 AromaticContact CZ-CD1 3.86Å; Y76-Y106 AromaticContact CZ-CE1 3.53Å; Y76-Y106 WeakPolarHBondContact OH-CD1 3.44Å; L102-Y106 HydrophobicContact CB-CE1 4.46Å; L102-Y106 HydrophobicContact CB-CE2 3.85Å; L102-Y106 HydrophobicContact CD2-CE1 4.33Å; L102-Y106 WeakPolarHBondContact O-CB 3.47Å; L102-Y106 WeakPolarHBondContact O-CD2 3.45Å; L102-Y106 PolarHBondContact O-N 3.15Å; I104-Y106 VanDerWaalsContact C-N 3.26Å; I104-Y106 PolarHBondContact O-N 3.03Å; Y106-H108 PolarHBondContact O-N 3.24Å; Y106-P116 HydrophobicContact CG-CG 4.39Å; Y106-P116 WeakPolarHBondContact O-CD 3.5Å; Y106-P116 WeakPolarHBondContact O-CG 3.16Å; Y106-L119 HydrophobicContact CD1-CD2 3.85Å; Y106-L119 HydrophobicContact CD2-CD2 4.01Å; Y106-L119 HydrophobicContact CE1-CB 4.26Å; Y106-L119 HydrophobicContact CE1-CD2 3.69Å; Y106-L119 HydrophobicContact CE2-CD2 3.87Å; Y106-L119 HydrophobicContact CG-CD2 4.03Å; Y106-L119 PolarHBondContact OH-O 3.31Å; Y106-L122 WeakPolarHBondContact OH-CD2 3.2Å; Y106-F145 HydrophobicContact CE2-CE2 4.09Å; Y106-F145 AromaticContact CE2-CZ 3.84Å; Y106-F145 HydrophobicContact CE2-CZ 3.84Å; Y106-L149 HydrophobicContact CD2-CD2 3.91Å; Y106-L149 HydrophobicContact CE2-CD2 3.87Å; Y106-L153 HydrophobicContact CD2-CD1 4.35Å; Y106-L153 HydrophobicContact CG-CD1 4.47Å
107	H	95.6	Very high	94.5	Very high	105 Å²	105	26.7 Å²	26.7	49%	0.486	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-8.1	175.4	-75.9	-74.6	0	0	0	114.1	T103 I104 L105 Y148	T103-H107 PolarHBondContact O-CD2 2.85Å; I104-H107 PolarHBondContact O-N 2.96Å; I104-H107 VanDerWaalsContact O-N 3.07Å; L105-H107 PolarHBondContact O-N 3.43Å; L105-H107 VanDerWaalsContact O-N 3.14Å; H107-Y148 PolarHBondContact NE2-OH 2.85Å; H107-Y148 VanDerWaalsContact NE2-OH 3.1Å
108	H	96	Very high	94.5	Very high	73 Å²	73	24.3 Å²	24.3	34%	0.338	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	5	179.9	-63.8	-82.7	0	0	0	113.5	W86 I104 L105 Y106 P110 F301	W86-H108 AromaticContact CZ3-ND1 3.82Å; I104-H108 PolarHBondContact O-CD2 3.23Å; I104-H108 VanDerWaalsContact O-CD2 3.31Å; L105-H108 HydrophobicContact CD1-CB 4.45Å; L105-H108 CarbonylContact O-C 3.57Å; L105-H108 WeakPolarHBondContact O-CA 3.48Å; L105-H108 WeakPolarHBondContact O-CB 3.36Å; L105-H108 PolarHBondContact O-N 2.73Å; Y106-H108 PolarHBondContact O-N 3.24Å; H108-P110 WeakPolarHBondContact O-CD 3.26Å; H108-F301 HydrophobicContact CB-CE1 4.05Å; H108-F301 HydrophobicContact CB-CZ 3.86Å
109	V	96.5	Very high	94.4	Very high	6 Å²	6	24.3 Å²	24.3	4%	0.036	14%	0.137	C	C	.	.			trans	-95.3	111.6	177.4	178.7	0	0	0	0	109.8	V72 P74 Y76 L105 P116	V72-V109 HydrophobicContact CB-CG1 3.98Å; V72-V109 HydrophobicContact CG1-CG1 4.14Å; P74-V109 HydrophobicContact CG-CB 4.44Å; P74-V109 HydrophobicContact CG-CG1 3.87Å; P74-V109 HydrophobicContact CG-CG2 3.61Å; Y76-V109 HydrophobicContact CE1-CG2 4.41Å; L105-V109 HydrophobicContact CD1-CG2 4.43Å; L105-V109 HydrophobicContact CG-CG2 4.18Å; L105-V109 WeakPolarHBondContact O-CG2 2.97Å; L105-V109 PolarHBondContact O-N 3.28Å; V109-P116 HydrophobicContact CB-CB 4.14Å; V109-P116 HydrophobicContact CG1-CB 4.37Å
110	P	93.5	Very high	94.4	Very high	32 Å²	32	23.7 Å²	23.7	21%	0.208	13%	0.133	C	C	.	.			trans	-79.6	153.4	-177.2	30.1	-29.4	0	0	0	111.6	K68 V72 H108 F296	K68-P110 HydrophobicContact CB-CB 4.35Å; V72-P110 WeakPolarHBondContact CB-O 3.5Å; V72-P110 HydrophobicContact CG2-CG 4.26Å; V72-P110 WeakPolarHBondContact CG2-O 3.33Å; H108-P110 WeakPolarHBondContact O-CD 3.26Å; P110-F296 HydrophobicContact CB-CE2 4.29Å; P110-F296 HydrophobicContact CG-CE2 3.49Å; P110-F296 VanDerWaalsContact CG-CE2 3.49Å; P110-F296 HydrophobicContact CG-CZ 3.64Å
111	S	92.7	Very high	94.3	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.007	12%	0.123	C	C	.	.			trans	-158.7	174.9	172.1	80	0	0	0	0	109.8	K68 R70 T113 S114 M115	K68-S111 WeakPolarHBondContact CD-O 3.41Å; K68-S111 WeakPolarHBondContact CE-O 2.87Å; K68-S111 PolarHBondContact NZ-O 2.89Å; R70-S111 WeakPolarHBondContact O-CA 3.45Å; R70-S111 WeakPolarHBondContact O-CB 3.33Å; S111-T113 PolarHBondContact O-N 2.91Å; S111-T113 PolarHBondContact OG-N 3.08Å; S111-T113 VanDerWaalsContact OG-N 3.08Å; S111-T113 PolarHBondContact OG-OG1 2.91Å; S111-S114 PolarHBondContact O-N 3Å; S111-S114 PolarHBondContact OG-N 2.91Å; S111-M115 VanDerWaalsContact CB-O 3.26Å; S111-M115 WeakPolarHBondContact CB-O 3.47Å; S111-M115 PolarHBondContact OG-N 3Å; S111-M115 PolarHBondContact OG-O 3Å
112	V	85.8	Confident	94.3	Very high	31 Å²	31	22.3 Å²	22.3	19%	0.188	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-33.1	171.8	68.9	0	0	0	0	112.8	E62 R70 Y71 S114	E62-V112 HydrophobicContact CB-CG2 4.39Å; E62-V112 HydrophobicContact CG-CG2 4.08Å; R70-V112 HydrophobicContact CG-CB 4.21Å; R70-V112 HydrophobicContact CG-CG1 3.95Å; R70-V112 PolarHBondContact O-N 3.36Å; Y71-V112 HydrophobicContact CE1-CG1 4.02Å; V112-S114 VanDerWaalsContact C-N 3.3Å; V112-S114 PolarHBondContact O-N 3.32Å
113	T	81.8	Confident	94.3	Very high	24 Å²	24	22.5 Å²	22.5	15%	0.147	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.2	177.7	64.3	0	0	0	0	113	S111 M115 D155 F157	S111-T113 PolarHBondContact O-N 2.91Å; S111-T113 PolarHBondContact OG-N 3.08Å; S111-T113 VanDerWaalsContact OG-N 3.08Å; S111-T113 PolarHBondContact OG-OG1 2.91Å; T113-M115 PolarHBondContact O-N 3.21Å; T113-M115 PolarHBondContact OG1-N 3.34Å; T113-M115 PolarHBondContact OG1-O 2.93Å; T113-D155 WeakPolarHBondContact CB-OD2 3.49Å; T113-D155 PolarHBondContact OG1-OD2 2.92Å; T113-F157 HydrophobicContact CG2-CB 4.23Å; T113-F157 HydrophobicContact CG2-CD2 3.79Å; T113-F157 HydrophobicContact CG2-CE2 4.43Å; T113-F157 HydrophobicContact CG2-CG 4.11Å
114	S	84.3	Confident	94.3	Very high	56 Å²	56	24.1 Å²	24.1	39%	0.392	14%	0.137	S	C	.	.	S	Bend	trans	63.2	14.9	-172	-42.4	0	0	0	0	114.4	K68 S111 V112	K68-S114 PolarHBondContact NZ-OG 3.42Å; S111-S114 PolarHBondContact O-N 3Å; S111-S114 PolarHBondContact OG-N 2.91Å; V112-S114 VanDerWaalsContact C-N 3.3Å; V112-S114 PolarHBondContact O-N 3.32Å
115	M	89.7	Confident	94.2	Very high	13 Å²	13	22.5 Å²	22.5	6%	0.064	13%	0.128	C	C	.	.	S	Bend	trans	-129.6	155.3	174.6	-70.7	-175.6	-179.3	0	0	109.6	S111 T113 V117 P154 D155	S111-M115 VanDerWaalsContact CB-O 3.26Å; S111-M115 WeakPolarHBondContact CB-O 3.47Å; S111-M115 PolarHBondContact OG-N 3Å; S111-M115 PolarHBondContact OG-O 3Å; T113-M115 PolarHBondContact O-N 3.21Å; T113-M115 PolarHBondContact OG1-N 3.34Å; T113-M115 PolarHBondContact OG1-O 2.93Å; M115-V117 PolarHBondContact O-N 3.09Å; M115-P154 HydrophobicContact CE-CG 4.47Å; M115-D155 HydrophobicContact CB-CB 4Å; M115-D155 HydrophobicContact CG-CB 4.45Å; M115-D155 HydrophobicContact SD-CB 3.68Å
116	P	93.7	Very high	94.2	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.013	13%	0.128	C	C	.	.			trans	-65.6	122.4	179.8	27.4	-35.1	0	0	0	110.5	Y106 V109 L119 L153 M158	Y106-P116 HydrophobicContact CG-CG 4.39Å; Y106-P116 WeakPolarHBondContact O-CD 3.5Å; Y106-P116 WeakPolarHBondContact O-CG 3.16Å; V109-P116 HydrophobicContact CB-CB 4.14Å; V109-P116 HydrophobicContact CG1-CB 4.37Å; P116-L119 HydrophobicContact CB-CD2 4.29Å; P116-L119 HydrophobicContact CG-CD2 4.21Å; P116-L153 HydrophobicContact CG-CD1 3.85Å; P116-L153 HydrophobicContact CG-CD2 4.46Å; P116-M158 WeakPolarHBondContact O-CG 3.35Å
117	V	92.9	Very high	94.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-87.3	-15.1	175.6	-63.7	0	0	0	0	113	Y71 M115 F157 H159	Y71-V117 HydrophobicContact CD1-CB 3.9Å; Y71-V117 HydrophobicContact CD1-CG1 3.68Å; Y71-V117 HydrophobicContact CD1-CG2 3.36Å; Y71-V117 HydrophobicContact CE1-CB 4.25Å; Y71-V117 HydrophobicContact CE1-CG1 3.77Å; Y71-V117 HydrophobicContact CE1-CG2 4.2Å; Y71-V117 HydrophobicContact CG-CG2 3.66Å; M115-V117 PolarHBondContact O-N 3.09Å; V117-F157 WeakPolarHBondContact CA-O 3.19Å; V117-F157 HydrophobicContact CG1-CB 3.97Å; V117-H159 VanDerWaalsContact O-CB 3.29Å; V117-H159 WeakPolarHBondContact O-CB 3.37Å; V117-H159 PolarHBondContact O-N 3.26Å
118	Y	96.7	Very high	94.2	Very high	6 Å²	6	24.9 Å²	24.9	2%	0.024	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123	179.9	-179.2	-119.6	0	0	0	110.3	L73 Y76 G120 Q121 H159 V234 L242	L73-Y118 HydrophobicContact CB-CD1 3.75Å; L73-Y118 HydrophobicContact CB-CE1 4.15Å; L73-Y118 HydrophobicContact CB-CG 4.3Å; L73-Y118 HydrophobicContact CD2-CD1 4.45Å; L73-Y118 HydrophobicContact CD2-CG 4.42Å; L73-Y118 HydrophobicContact CG-CD1 3.72Å; L73-Y118 HydrophobicContact CG-CD2 4.37Å; L73-Y118 HydrophobicContact CG-CE1 4.28Å; L73-Y118 HydrophobicContact CG-CG 3.74Å; Y76-Y118 HydrophobicContact CD2-CD1 4.32Å; Y76-Y118 HydrophobicContact CD2-CE1 4.2Å; Y76-Y118 AromaticContact CE2-CD1 3.75Å; Y76-Y118 HydrophobicContact CE2-CD1 3.75Å; Y76-Y118 HydrophobicContact CE2-CE1 4.09Å; Y76-Y118 WeakPolarHBondContact CE2-O 3.41Å; Y76-Y118 PolarHBondContact OH-O 3.19Å; Y118-G120 WeakPolarHBondContact OH-CA 3.42Å; Y118-Q121 PolarHBondContact OH-N 3.35Å; Y118-H159 WeakPolarHBondContact CA-O 3.28Å; Y118-V234 HydrophobicContact CD2-CG1 3.8Å; Y118-V234 HydrophobicContact CG-CG1 4.02Å; Y118-L242 HydrophobicContact CE1-CD1 3.79Å
119	L	97.5	Very high	94.3	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-2.8	179.2	-60.3	-171.7	0	0	0	113.8	Y106 P116 L122 L149 M158 H159 A160 P185	Y106-L119 HydrophobicContact CD1-CD2 3.85Å; Y106-L119 HydrophobicContact CD2-CD2 4.01Å; Y106-L119 HydrophobicContact CE1-CB 4.26Å; Y106-L119 HydrophobicContact CE1-CD2 3.69Å; Y106-L119 HydrophobicContact CE2-CD2 3.87Å; Y106-L119 HydrophobicContact CG-CD2 4.03Å; Y106-L119 PolarHBondContact OH-O 3.31Å; P116-L119 HydrophobicContact CB-CD2 4.29Å; P116-L119 HydrophobicContact CG-CD2 4.21Å; L119-L122 VanDerWaalsContact O-CD2 3.24Å; L119-L122 WeakPolarHBondContact O-CD2 3.5Å; L119-L149 HydrophobicContact CD1-CD1 3.66Å; L119-L149 HydrophobicContact CD1-CD2 4.03Å; L119-L149 HydrophobicContact CD1-CG 4.41Å; L119-M158 HydrophobicContact CD1-CE 4.29Å; L119-M158 HydrophobicContact CD1-CG 3.65Å; L119-M158 HydrophobicContact CD1-SD 3.78Å; L119-M158 HydrophobicContact CD2-CG 3.7Å; L119-M158 HydrophobicContact CD2-SD 3.71Å; L119-M158 HydrophobicContact CG-CG 3.65Å; L119-M158 HydrophobicContact CG-SD 4.11Å; L119-H159 PolarHBondContact N-O 3.39Å; L119-A160 HydrophobicContact CB-CB 4.23Å; L119-A160 HydrophobicContact CD1-CB 4.41Å; L119-P185 HydrophobicContact CD1-CB 3.69Å; L119-P185 HydrophobicContact CD1-CG 4.02Å
120	G	97.7	Very high	94.2	Very high	1 Å²	1	23 Å²	23	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	96.7	169.4	-174.9	0	0	0	0	0	113.7	Y118 L122 N161	Y118-G120 WeakPolarHBondContact OH-CA 3.42Å; G120-L122 VanDerWaalsContact C-N 3.34Å; G120-L122 PolarHBondContact O-N 3.46Å; G120-N161 PolarHBondContact O-N 3.02Å
121	Q	97.7	Very high	93.9	Very high	42 Å²	42	30.7 Å²	30.7	20%	0.196	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	83.9	164.9	-171.5	177	-14.9	0	0	108.5	Y118 D123 A124 L125 N161 G163	Y118-Q121 PolarHBondContact OH-N 3.35Å; Q121-D123 VanDerWaalsContact C-N 3.31Å; Q121-D123 WeakPolarHBondContact CG-OD1 3.27Å; Q121-D123 PolarHBondContact O-N 3.4Å; Q121-A124 HydrophobicContact CB-CB 4.42Å; Q121-A124 HydrophobicContact CG-CB 3.98Å; Q121-A124 PolarHBondContact O-N 2.88Å; Q121-L125 VanDerWaalsContact O-CG 3.28Å; Q121-L125 WeakPolarHBondContact O-CG 3.21Å; Q121-L125 PolarHBondContact O-N 2.75Å; Q121-N161 CarbonylContact C-O 3.56Å; Q121-N161 VanDerWaalsContact CA-O 3.26Å; Q121-N161 WeakPolarHBondContact CA-O 3.24Å; Q121-N161 HydrophobicContact CB-CB 4.23Å; Q121-N161 HydrophobicContact CG-CB 4.39Å; Q121-G163 PolarHBondContact NE2-O 2.83Å
122	L	98.4	Very high	93.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-34.5	-160.2	-72.6	177.9	0	0	0	113.6	L102 Y106 L119 G120 L125 L126 F145 W146 A160 N161 I173	L102-L122 HydrophobicContact CD1-CD2 4.18Å; Y106-L122 WeakPolarHBondContact OH-CD2 3.2Å; L119-L122 VanDerWaalsContact O-CD2 3.24Å; L119-L122 WeakPolarHBondContact O-CD2 3.5Å; G120-L122 VanDerWaalsContact C-N 3.34Å; G120-L122 PolarHBondContact O-N 3.46Å; L122-L125 PolarHBondContact O-N 3.33Å; L122-L126 VanDerWaalsContact O-CB 3.24Å; L122-L126 WeakPolarHBondContact O-CB 3.19Å; L122-L126 WeakPolarHBondContact O-CG 3.48Å; L122-L126 PolarHBondContact O-N 2.78Å; L122-F145 HydrophobicContact CD1-CE1 4.1Å; L122-F145 HydrophobicContact CD2-CE1 4.38Å; L122-W146 HydrophobicContact CD1-CH2 4.42Å; L122-W146 HydrophobicContact CD1-CZ3 3.75Å; L122-A160 HydrophobicContact CD1-CB 3.69Å; L122-A160 HydrophobicContact CG-CB 4.3Å; L122-N161 PolarHBondContact N-O 3.16Å; L122-I173 HydrophobicContact CB-CD1 3.7Å; L122-I173 HydrophobicContact CD1-CD1 4.29Å
123	D	97.9	Very high	94.2	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.027	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-49.9	175.8	57.3	-12.1	0	0	0	111.8	Q121 L125 L126 Q127 I162 G163 I169 T170	Q121-D123 VanDerWaalsContact C-N 3.31Å; Q121-D123 WeakPolarHBondContact CG-OD1 3.27Å; Q121-D123 PolarHBondContact O-N 3.4Å; D123-L125 VanDerWaalsContact C-N 3.3Å; D123-L125 PolarHBondContact O-N 2.79Å; D123-L126 PolarHBondContact O-N 3.04Å; D123-Q127 WeakPolarHBondContact O-CB 3.32Å; D123-Q127 PolarHBondContact O-N 2.89Å; D123-I162 HydrophobicContact CB-CG2 4.33Å; D123-I162 WeakPolarHBondContact OD1-CA 3.29Å; D123-G163 PolarHBondContact OD2-N 3.12Å; D123-I169 HydrophobicContact CB-CB 4.14Å; D123-I169 HydrophobicContact CB-CG2 3.99Å; D123-T170 VanDerWaalsContact CB-OG1 3.3Å; D123-T170 WeakPolarHBondContact CB-OG1 3.32Å; D123-T170 PolarHBondContact OD2-OG1 2.78Å
124	A	96.8	Very high	94.9	Very high	55 Å²	55	41.8 Å²	41.8	46%	0.455	22%	0.221	S	C	.	.	H	α-helix	trans	-60.6	-38.3	175.1	0	0	0	0	0	112.7	Q121 P128	Q121-A124 HydrophobicContact CB-CB 4.42Å; Q121-A124 HydrophobicContact CG-CB 3.98Å; Q121-A124 PolarHBondContact O-N 2.88Å; A124-P128 WeakPolarHBondContact O-CD 3.48Å
125	L	98	Very high	95.5	Very high	20 Å²	20	42.1 Å²	42.1	11%	0.105	22%	0.216	C	C	.	.	H	α-helix	trans	-69	-41.1	179.7	-71	172.4	0	0	0	113	Y76 A77 L80 Q121 L122 D123 Y129	Y76-L125 HydrophobicContact CD2-CD1 4.24Å; Y76-L125 HydrophobicContact CG-CD1 4.33Å; A77-L125 HydrophobicContact CB-CD2 3.67Å; A77-L125 VanDerWaalsContact N-CD2 3.3Å; L80-L125 HydrophobicContact CD1-CB 4.33Å; Q121-L125 VanDerWaalsContact O-CG 3.28Å; Q121-L125 WeakPolarHBondContact O-CG 3.21Å; Q121-L125 PolarHBondContact O-N 2.75Å; L122-L125 PolarHBondContact O-N 3.33Å; D123-L125 VanDerWaalsContact C-N 3.3Å; D123-L125 PolarHBondContact O-N 2.79Å; L125-Y129 WeakPolarHBondContact O-CD2 3.38Å; L125-Y129 VanDerWaalsContact O-CE2 3.24Å; L125-Y129 WeakPolarHBondContact O-CE2 3.39Å
126	L	98.4	Very high	95.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-92.1	-24.9	-172.5	-63.8	174.7	0	0	0	113	L95 A98 L99 L102 L122 D123 P128 Y129 I142 I169	L95-L126 HydrophobicContact CD1-CB 4.04Å; L95-L126 HydrophobicContact CD1-CD2 4.04Å; L95-L126 HydrophobicContact CD1-CG 4.42Å; A98-L126 HydrophobicContact CB-CD2 3.87Å; L99-L126 HydrophobicContact CD2-CD1 3.83Å; L99-L126 HydrophobicContact CD2-CD2 4.04Å; L102-L126 HydrophobicContact CD1-CD2 3.84Å; L122-L126 VanDerWaalsContact O-CB 3.24Å; L122-L126 WeakPolarHBondContact O-CB 3.19Å; L122-L126 WeakPolarHBondContact O-CG 3.48Å; L122-L126 PolarHBondContact O-N 2.78Å; D123-L126 PolarHBondContact O-N 3.04Å; L126-P128 VanDerWaalsContact C-N 3.33Å; L126-Y129 PolarHBondContact O-N 3.13Å; L126-I142 HydrophobicContact CD1-CD1 3.9Å; L126-I169 HydrophobicContact CB-CD1 4.17Å; L126-I169 HydrophobicContact CB-CG1 4.23Å; L126-I169 HydrophobicContact CB-CG2 4.28Å; L126-I169 HydrophobicContact CD1-CG2 4.29Å
127	Q	97	Very high	96.1	Very high	67 Å²	67	51 Å²	51	31%	0.313	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-52.5	-40.2	-176.6	-174.8	57.9	46.6	0	0	114.4	D123 Y129 V130	D123-Q127 WeakPolarHBondContact O-CB 3.32Å; D123-Q127 PolarHBondContact O-N 2.89Å; Q127-Y129 PolarHBondContact O-N 3.17Å; Q127-Y129 VanDerWaalsContact O-N 3.14Å; Q127-V130 PolarHBondContact O-N 3.32Å
128	P	96.3	Very high	96.3	Very high	88 Å²	88	51.2 Å²	51.2	57%	0.571	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-60.5	-22.2	177.1	-25.6	36.4	0	0	0	114.5	A124 L126	A124-P128 WeakPolarHBondContact O-CD 3.48Å; L126-P128 VanDerWaalsContact C-N 3.33Å
129	Y	97.5	Very high	96.4	Very high	33 Å²	33	52.6 Å²	52.6	13%	0.129	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-100.7	-4.1	-170.3	-57.3	-74.2	0	0	0	114	L80 A92 L95 A98 L125 L126 Q127	L80-Y129 HydrophobicContact CB-CE2 4.11Å; L80-Y129 WeakPolarHBondContact CB-OH 3.38Å; L80-Y129 HydrophobicContact CD1-CE2 3.91Å; A92-Y129 HydrophobicContact CB-CD1 4Å; A92-Y129 HydrophobicContact CB-CE1 3.68Å; A92-Y129 VanDerWaalsContact O-CE1 3.29Å; A92-Y129 WeakPolarHBondContact O-CE1 3.42Å; L95-Y129 PolarHBondContact N-O 3.26Å; A98-Y129 HydrophobicContact CB-CD1 4.49Å; A98-Y129 HydrophobicContact CB-CD2 3.8Å; A98-Y129 HydrophobicContact CB-CE2 4.33Å; A98-Y129 HydrophobicContact CB-CG 3.89Å; L125-Y129 WeakPolarHBondContact O-CD2 3.38Å; L125-Y129 VanDerWaalsContact O-CE2 3.24Å; L125-Y129 WeakPolarHBondContact O-CE2 3.39Å; L126-Y129 PolarHBondContact O-N 3.13Å; Q127-Y129 PolarHBondContact O-N 3.17Å; Q127-Y129 VanDerWaalsContact O-N 3.14Å
130	V	94.6	Very high	96.4	Very high	8 Å²	8	55.9 Å²	55.9	5%	0.048	29%	0.29	C	S	.	.			trans	-70.2	-33.5	-179.8	176.7	0	0	0	0	112.8	Q127 I132 L133 I138 I169	Q127-V130 PolarHBondContact O-N 3.32Å; V130-I132 PolarHBondContact O-N 2.92Å; V130-L133 HydrophobicContact CG1-CB 4.14Å; V130-L133 WeakPolarHBondContact O-CB 3.2Å; V130-L133 WeakPolarHBondContact O-CG 3.44Å; V130-L133 PolarHBondContact O-N 3.28Å; V130-I138 HydrophobicContact CG1-CD1 3.29Å; V130-I138 HydrophobicContact CG1-CG1 3.8Å; V130-I169 HydrophobicContact CG2-CD1 3.63Å; V130-I169 HydrophobicContact CG2-CG1 3.74Å
131	R	87	Confident	96.4	Very high	193 Å²	193	58.4 Å²	58.4	73%	0.728	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	-108	176.7	-57.1	179.9	76	175.5	1.9	113.6	K93	K93-R131 PolarHBondContact O-NH1 2.91Å
132	I	89.7	Confident	96.5	Very high	166 Å²	166	56.5 Å²	56.5	85%	0.851	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	9.4	-173.3	60.7	170.1	0	0	0	113.7	V130	V130-I132 PolarHBondContact O-N 2.92Å
133	L	94.9	Very high	96.4	Very high	44 Å²	44	59 Å²	59	23%	0.23	30%	0.301	C	S	.	.			trans	-68.5	141.3	-178.1	-64.3	174.8	0	0	0	111.5	L95 V130 E137 I138	L95-L133 HydrophobicContact CB-CD1 3.97Å; L95-L133 HydrophobicContact CD2-CD1 3.64Å; L95-L133 HydrophobicContact CG-CD1 4.45Å; V130-L133 HydrophobicContact CG1-CB 4.14Å; V130-L133 WeakPolarHBondContact O-CB 3.2Å; V130-L133 WeakPolarHBondContact O-CG 3.44Å; V130-L133 PolarHBondContact O-N 3.28Å; L133-E137 HydrophobicContact CB-CB 4.3Å; L133-E137 HydrophobicContact CD2-CB 4.17Å; L133-I138 HydrophobicContact CB-CG1 3.99Å; L133-I138 HydrophobicContact CD1-CG1 4.5Å
134	T	96.5	Very high	96.4	Very high	78 Å²	78	67.2 Å²	67.2	48%	0.479	33%	0.332	S	S	.	.			trans	-72.9	161.1	168.5	62.8	0	0	0	0	111.1	D136 E137 I138	T134-D136 VanDerWaalsContact C-N 3.27Å; T134-D136 PolarHBondContact O-N 3.16Å; T134-E137 WeakPolarHBondContact CB-OE2 3.35Å; T134-E137 WeakPolarHBondContact CG2-OE2 3.44Å; T134-E137 PolarHBondContact N-OE2 3.34Å; T134-E137 PolarHBondContact O-N 2.9Å; T134-E137 VanDerWaalsContact OG1-CG 3.24Å; T134-E137 WeakPolarHBondContact OG1-CG 3.24Å; T134-E137 PolarHBondContact OG1-N 3Å; T134-E137 PolarHBondContact OG1-OE2 3.41Å; T134-I138 WeakPolarHBondContact O-CG1 3.27Å; T134-I138 PolarHBondContact O-N 3.5Å; T134-I138 VanDerWaalsContact O-N 3.11Å
135	Q	96.9	Very high	96.5	Very high	64 Å²	64	65.1 Å²	65.1	30%	0.299	31%	0.312	S	S	.	.	H	α-helix	trans	-59.8	-37.9	177.6	-171.3	63.8	65.7	0	0	112.6	E137 I138 D139 P168 R175	Q135-E137 VanDerWaalsContact C-N 3.33Å; Q135-E137 PolarHBondContact O-N 3.14Å; Q135-I138 WeakPolarHBondContact O-CB 3.4Å; Q135-I138 PolarHBondContact O-N 2.91Å; Q135-D139 PolarHBondContact NE2-OD1 3.09Å; Q135-D139 WeakPolarHBondContact O-CB 3.37Å; Q135-D139 PolarHBondContact O-N 3.4Å; Q135-P168 PolarHBondContact NE2-O 3.34Å; Q135-R175 VanDerWaalsContact CD-NH2 3.26Å
136	D	97.5	Very high	96.4	Very high	124 Å²	124	64.1 Å²	64.1	66%	0.663	31%	0.307	S	S	*	.	H	α-helix	trans	-64	-39.8	178.1	-69.5	-15	0	0	0	111.5	T134 I138 D139 V140	T134-D136 VanDerWaalsContact C-N 3.27Å; T134-D136 PolarHBondContact O-N 3.16Å; D136-I138 VanDerWaalsContact C-N 3.32Å; D136-I138 PolarHBondContact O-N 3.41Å; D136-D139 PolarHBondContact O-N 3.06Å; D136-V140 VanDerWaalsContact O-CG2 3.31Å; D136-V140 WeakPolarHBondContact O-CG2 3.49Å; D136-V140 PolarHBondContact O-N 3.46Å
137	E	97.7	Very high	96.3	Very high	78 Å²	78	69.7 Å²	69.7	36%	0.364	33%	0.329	S	S	.	.	H	α-helix	trans	-66.6	-34.2	176.6	-74.5	170.7	125.4	0	0	112.8	L133 T134 Q135 R141	L133-E137 HydrophobicContact CB-CB 4.3Å; L133-E137 HydrophobicContact CD2-CB 4.17Å; T134-E137 WeakPolarHBondContact CB-OE2 3.35Å; T134-E137 WeakPolarHBondContact CG2-OE2 3.44Å; T134-E137 PolarHBondContact N-OE2 3.34Å; T134-E137 PolarHBondContact O-N 2.9Å; T134-E137 VanDerWaalsContact OG1-CG 3.24Å; T134-E137 WeakPolarHBondContact OG1-CG 3.24Å; T134-E137 PolarHBondContact OG1-N 3Å; T134-E137 PolarHBondContact OG1-OE2 3.41Å; Q135-E137 VanDerWaalsContact C-N 3.33Å; Q135-E137 PolarHBondContact O-N 3.14Å; E137-R141 WeakPolarHBondContact O-CD 3.19Å; E137-R141 WeakPolarHBondContact O-CG 3.44Å; E137-R141 PolarHBondContact O-N 3.33Å; E137-R141 PolarHBondContact O-NH1 2.9Å
138	I	98.2	Very high	96.3	Very high	3 Å²	3	70.1 Å²	70.1	2%	0.015	33%	0.328	C	S	.	.	H	α-helix	trans	-69	-50	173.6	-62.8	164.4	0	0	0	109.7	V130 L133 T134 Q135 D136 V140 R141 I142 P168 I169 A172	V130-I138 HydrophobicContact CG1-CD1 3.29Å; V130-I138 HydrophobicContact CG1-CG1 3.8Å; L133-I138 HydrophobicContact CB-CG1 3.99Å; L133-I138 HydrophobicContact CD1-CG1 4.5Å; T134-I138 WeakPolarHBondContact O-CG1 3.27Å; T134-I138 PolarHBondContact O-N 3.5Å; T134-I138 VanDerWaalsContact O-N 3.11Å; Q135-I138 WeakPolarHBondContact O-CB 3.4Å; Q135-I138 PolarHBondContact O-N 2.91Å; D136-I138 VanDerWaalsContact C-N 3.32Å; D136-I138 PolarHBondContact O-N 3.41Å; I138-V140 VanDerWaalsContact C-N 3.31Å; I138-V140 PolarHBondContact O-N 3.14Å; I138-R141 PolarHBondContact O-N 3Å; I138-R141 VanDerWaalsContact O-N 3.09Å; I138-I142 HydrophobicContact CG2-CG1 3.97Å; I138-I142 WeakPolarHBondContact O-CG1 3.36Å; I138-I142 PolarHBondContact O-N 2.87Å; I138-P168 HydrophobicContact CD1-CB 3.66Å; I138-I169 HydrophobicContact CG2-CD1 3.55Å; I138-A172 HydrophobicContact CG2-CB 3.86Å
139	D	98.2	Very high	96.2	Very high	36 Å²	36	66 Å²	66	19%	0.193	30%	0.301	C	S	.	.	H	α-helix	trans	-58.5	-43.2	-177.3	-78.1	11.6	0	0	0	111.4	Q135 D136 R141 K143 A172 R175	Q135-D139 PolarHBondContact NE2-OD1 3.09Å; Q135-D139 WeakPolarHBondContact O-CB 3.37Å; Q135-D139 PolarHBondContact O-N 3.4Å; D136-D139 PolarHBondContact O-N 3.06Å; D139-R141 VanDerWaalsContact C-N 3.35Å; D139-R141 PolarHBondContact O-N 2.97Å; D139-K143 WeakPolarHBondContact O-CB 3.21Å; D139-K143 PolarHBondContact O-N 3.16Å; D139-A172 WeakPolarHBondContact OD1-CB 3.48Å; D139-R175 IonicContact OD1-CZ 3.75Å; D139-R175 IonicContact OD1-NE 3.67Å; D139-R175 IonicContact OD1-NH2 3.96Å; D139-R175 PolarHBondContact OD1-NH2 3.22Å; D139-R175 IonicContact OD2-CZ 2.76Å; D139-R175 VanDerWaalsContact OD2-CZ 3.3Å; D139-R175 IonicContact OD2-NE 3.77Å; D139-R175 PolarHBondContact OD2-NE 3.35Å; D139-R175 IonicContact OD2-NH2 2.79Å; D139-R175 PolarHBondContact OD2-NH2 2.95Å; D139-R175 VanDerWaalsContact OD2-NH2 3.11Å
140	V	97.9	Very high	95.9	Very high	68 Å²	68	64.5 Å²	64.5	41%	0.412	30%	0.295	S	S	.	.	H	α-helix	trans	-61.4	-42.6	176.8	169.7	0	0	0	0	111.7	D136 I138 R144	D136-V140 VanDerWaalsContact O-CG2 3.31Å; D136-V140 WeakPolarHBondContact O-CG2 3.49Å; D136-V140 PolarHBondContact O-N 3.46Å; I138-V140 VanDerWaalsContact C-N 3.31Å; I138-V140 PolarHBondContact O-N 3.14Å; V140-R144 VanDerWaalsContact O-CG 3.27Å; V140-R144 WeakPolarHBondContact O-CG 3.44Å; V140-R144 PolarHBondContact O-N 3.16Å; V140-R144 VanDerWaalsContact O-N 3.17Å
141	R	98.1	Very high	95.6	Very high	55 Å²	55	69.7 Å²	69.7	21%	0.208	31%	0.314	C	S	.	.	H	α-helix	trans	-70.1	-48.8	-179.5	-75.2	172.6	169.9	83.3	-4.9	111.9	L95 D96 L99 E137 I138 D139 K143 R144 F145	L95-R141 HydrophobicContact CD2-CB 4.42Å; D96-R141 VanDerWaalsContact CG-NE 3.33Å; D96-R141 WeakPolarHBondContact OD1-CD 3.44Å; D96-R141 IonicContact OD1-CZ 3.57Å; D96-R141 IonicContact OD1-NE 3.01Å; D96-R141 PolarHBondContact OD1-NE 3.19Å; D96-R141 IonicContact OD1-NH2 2.85Å; D96-R141 IonicContact OD2-CZ 2.8Å; D96-R141 IonicContact OD2-NE 3.45Å; D96-R141 PolarHBondContact OD2-NE 3.5Å; D96-R141 VanDerWaalsContact OD2-NE 3.1Å; D96-R141 IonicContact OD2-NH2 3.79Å; D96-R141 PolarHBondContact OD2-NH2 2.72Å; L99-R141 HydrophobicContact CD1-CB 3.98Å; E137-R141 WeakPolarHBondContact O-CD 3.19Å; E137-R141 WeakPolarHBondContact O-CG 3.44Å; E137-R141 PolarHBondContact O-N 3.33Å; E137-R141 PolarHBondContact O-NH1 2.9Å; I138-R141 PolarHBondContact O-N 3Å; I138-R141 VanDerWaalsContact O-N 3.09Å; D139-R141 VanDerWaalsContact C-N 3.35Å; D139-R141 PolarHBondContact O-N 2.97Å; R141-K143 VanDerWaalsContact C-N 3.32Å; R141-K143 PolarHBondContact O-N 3.47Å; R141-R144 PolarHBondContact O-N 2.8Å; R141-R144 VanDerWaalsContact O-N 3.16Å; R141-F145 WeakPolarHBondContact O-CB 3.28Å; R141-F145 PolarHBondContact O-N 3.33Å
142	I	98.3	Very high	95.8	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-43	177.9	-66.7	-60	0	0	0	110.6	L126 I138 R144 F145 W146 I169 A172 I173 A176	L126-I142 HydrophobicContact CD1-CD1 3.9Å; I138-I142 HydrophobicContact CG2-CG1 3.97Å; I138-I142 WeakPolarHBondContact O-CG1 3.36Å; I138-I142 PolarHBondContact O-N 2.87Å; I142-R144 VanDerWaalsContact C-N 3.34Å; I142-R144 PolarHBondContact O-N 3.3Å; I142-F145 PolarHBondContact O-N 3.08Å; I142-W146 WeakPolarHBondContact O-CB 3.43Å; I142-W146 PolarHBondContact O-N 3.47Å; I142-I169 HydrophobicContact CD1-CD1 4.01Å; I142-I169 HydrophobicContact CD1-CG2 4.24Å; I142-I169 HydrophobicContact CG1-CD1 4.23Å; I142-A172 HydrophobicContact CB-CB 4.09Å; I142-A172 HydrophobicContact CG1-CB 3.93Å; I142-A172 HydrophobicContact CG2-CB 4.17Å; I142-I173 HydrophobicContact CG2-CB 4.49Å; I142-I173 HydrophobicContact CG2-CG1 3.73Å; I142-A176 HydrophobicContact CG2-CB 4.18Å
143	K	98.2	Very high	95.7	Very high	54 Å²	54	55 Å²	55	24%	0.235	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-38.9	176.8	-174.8	176.3	-178.4	168.6	0	113.1	D139 R141 R147 A176 E179 L180	D139-K143 WeakPolarHBondContact O-CB 3.21Å; D139-K143 PolarHBondContact O-N 3.16Å; R141-K143 VanDerWaalsContact C-N 3.32Å; R141-K143 PolarHBondContact O-N 3.47Å; K143-R147 WeakPolarHBondContact O-CG 3.48Å; K143-R147 PolarHBondContact O-N 2.73Å; K143-R147 VanDerWaalsContact O-N 3.08Å; K143-A176 HydrophobicContact CB-CB 4.48Å; K143-E179 VanDerWaalsContact CE-OE1 3.23Å; K143-E179 WeakPolarHBondContact CE-OE1 3.49Å; K143-E179 VanDerWaalsContact CE-OE2 3.29Å; K143-E179 WeakPolarHBondContact CE-OE2 3.26Å; K143-E179 IonicContact NZ-OE1 3.67Å; K143-E179 PolarHBondContact NZ-OE1 3.4Å; K143-E179 IonicContact NZ-OE2 3.94Å; K143-E179 PolarHBondContact NZ-OE2 3.19Å; K143-L180 HydrophobicContact CG-CD1 4.07Å; K143-L180 HydrophobicContact CG-CD2 4.4Å; K143-L180 HydrophobicContact CG-CG 4.47Å
144	R	98.1	Very high	95	Very high	176 Å²	176	53.4 Å²	53.4	66%	0.664	25%	0.245	S	C	*	.	H	α-helix	trans	-66.4	-45.3	175.2	-74.2	170.3	-178	177	2.2	111.2	V140 R141 I142 R147 Y148	V140-R144 VanDerWaalsContact O-CG 3.27Å; V140-R144 WeakPolarHBondContact O-CG 3.44Å; V140-R144 PolarHBondContact O-N 3.16Å; V140-R144 VanDerWaalsContact O-N 3.17Å; R141-R144 PolarHBondContact O-N 2.8Å; R141-R144 VanDerWaalsContact O-N 3.16Å; I142-R144 VanDerWaalsContact C-N 3.34Å; I142-R144 PolarHBondContact O-N 3.3Å; R144-R147 PolarHBondContact O-N 2.6Å; R144-Y148 PolarHBondContact O-N 2.94Å
145	F	98	Very high	94.3	Very high	11 Å²	11	49.9 Å²	49.9	5%	0.048	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-45.6	175.2	175	-113.8	0	0	0	111.9	L99 T103 Y106 L122 R141 I142 R147 Y148 L149	L99-F145 HydrophobicContact CD2-CB 4.04Å; L99-F145 HydrophobicContact CD2-CD1 3.88Å; L99-F145 HydrophobicContact CD2-CD2 3.86Å; L99-F145 HydrophobicContact CD2-CE1 4.22Å; L99-F145 HydrophobicContact CD2-CE2 4.2Å; L99-F145 HydrophobicContact CD2-CG 3.68Å; L99-F145 HydrophobicContact CD2-CZ 4.36Å; T103-F145 HydrophobicContact CG2-CD2 3.82Å; T103-F145 HydrophobicContact CG2-CE2 3.64Å; Y106-F145 HydrophobicContact CE2-CE2 4.09Å; Y106-F145 AromaticContact CE2-CZ 3.84Å; Y106-F145 HydrophobicContact CE2-CZ 3.84Å; L122-F145 HydrophobicContact CD1-CE1 4.1Å; L122-F145 HydrophobicContact CD2-CE1 4.38Å; R141-F145 WeakPolarHBondContact O-CB 3.28Å; R141-F145 PolarHBondContact O-N 3.33Å; I142-F145 PolarHBondContact O-N 3.08Å; F145-R147 VanDerWaalsContact C-N 3.31Å; F145-R147 PolarHBondContact O-N 3.22Å; F145-Y148 WeakPolarHBondContact O-CB 3.47Å; F145-Y148 PolarHBondContact O-N 3.22Å; F145-Y148 VanDerWaalsContact O-N 3.09Å; F145-L149 HydrophobicContact CD1-CD1 4.05Å; F145-L149 HydrophobicContact CD2-CG 4.48Å; F145-L149 HydrophobicContact CE1-CD1 3.65Å; F145-L149 HydrophobicContact CE1-CG 4.4Å; F145-L149 HydrophobicContact CE2-CD1 4.33Å; F145-L149 HydrophobicContact CE2-CD2 4.14Å; F145-L149 HydrophobicContact CE2-CG 4.23Å; F145-L149 HydrophobicContact CZ-CD1 3.82Å; F145-L149 HydrophobicContact CZ-CD2 4.17Å; F145-L149 HydrophobicContact CZ-CG 4.2Å; F145-L149 WeakPolarHBondContact O-CG 3.43Å; F145-L149 PolarHBondContact O-N 2.88Å
146	W	96.6	Very high	93.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.8	-39	177.3	-145.8	-114.1	0	0	0	112.4	L122 I142 L149 D150 A160 I173 A176 D177 L180 Q182 P185 L187	L122-W146 HydrophobicContact CD1-CH2 4.42Å; L122-W146 HydrophobicContact CD1-CZ3 3.75Å; I142-W146 WeakPolarHBondContact O-CB 3.43Å; I142-W146 PolarHBondContact O-N 3.47Å; W146-L149 HydrophobicContact CE3-CD1 4.21Å; W146-D150 PolarHBondContact O-N 3.06Å; W146-A160 HydrophobicContact CH2-CB 4.05Å; W146-I173 HydrophobicContact CH2-CG2 3.58Å; W146-I173 HydrophobicContact CZ2-CG2 4.09Å; W146-I173 HydrophobicContact CZ3-CG1 4.34Å; W146-I173 HydrophobicContact CZ3-CG2 3.84Å; W146-A176 HydrophobicContact CB-CB 4.31Å; W146-A176 HydrophobicContact CG-CB 4.33Å; W146-D177 HydrophobicContact CZ2-CB 4.28Å; W146-D177 PolarHBondContact NE1-OD1 3.25Å; W146-L180 HydrophobicContact CB-CD1 3.95Å; W146-L180 HydrophobicContact CG-CD1 4.34Å; W146-Q182 VanDerWaalsContact CD1-NE2 3.27Å; W146-Q182 PolarHBondContact O-NE2 3.08Å; W146-P185 HydrophobicContact CD2-CG 4.25Å; W146-P185 HydrophobicContact CE3-CG 4.29Å; W146-P185 HydrophobicContact CH2-CG 3.48Å; W146-P185 VanDerWaalsContact CH2-CG 3.48Å; W146-P185 HydrophobicContact CZ2-CG 3.44Å; W146-P185 VanDerWaalsContact CZ2-CG 3.44Å; W146-P185 HydrophobicContact CZ3-CG 3.93Å; W146-L187 HydrophobicContact CH2-CD1 4.07Å
147	R	95.6	Very high	92.7	Very high	117 Å²	117	42.3 Å²	42.3	44%	0.442	18%	0.184	S	C	.	.	H	α-helix	trans	-66.3	-45.1	172.3	-76.1	179.3	175.6	167	-0.4	111.5	K143 R144 F145 L149 D150 R151 L180	K143-R147 WeakPolarHBondContact O-CG 3.48Å; K143-R147 PolarHBondContact O-N 2.73Å; K143-R147 VanDerWaalsContact O-N 3.08Å; R144-R147 PolarHBondContact O-N 2.6Å; F145-R147 VanDerWaalsContact C-N 3.31Å; F145-R147 PolarHBondContact O-N 3.22Å; R147-L149 VanDerWaalsContact C-N 3.32Å; R147-L149 PolarHBondContact O-N 2.57Å; R147-D150 PolarHBondContact O-N 2.83Å; R147-R151 WeakPolarHBondContact O-CB 3.48Å; R147-R151 WeakPolarHBondContact O-CG 3.11Å; R147-R151 PolarHBondContact O-N 3.26Å; R147-R151 VanDerWaalsContact O-N 3.14Å; R147-L180 HydrophobicContact CG-CD1 3.71Å; R147-L180 HydrophobicContact CG-CD2 4.06Å
148	Y	96	Very high	92.4	Very high	76 Å²	76	38.6 Å²	38.6	30%	0.298	17%	0.166	S	C	.	.	H	α-helix	trans	-54.1	-51.1	178.1	171.2	-89.5	0	0	0	110.8	T103 H107 R144 F145 D150 R151 T152	T103-Y148 HydrophobicContact CG2-CD1 3.56Å; T103-Y148 HydrophobicContact CG2-CE1 3.35Å; T103-Y148 HydrophobicContact CG2-CG 4.41Å; H107-Y148 PolarHBondContact NE2-OH 2.85Å; H107-Y148 VanDerWaalsContact NE2-OH 3.1Å; R144-Y148 PolarHBondContact O-N 2.94Å; F145-Y148 WeakPolarHBondContact O-CB 3.47Å; F145-Y148 PolarHBondContact O-N 3.22Å; F145-Y148 VanDerWaalsContact O-N 3.09Å; Y148-D150 PolarHBondContact O-N 2.9Å; Y148-R151 PolarHBondContact O-N 3.41Å; Y148-T152 HydrophobicContact CD2-CG2 3.72Å; Y148-T152 HydrophobicContact CE1-CG2 4.47Å; Y148-T152 WeakPolarHBondContact CE1-OG1 3.35Å; Y148-T152 HydrophobicContact CE2-CG2 3.49Å; Y148-T152 VanDerWaalsContact CE2-CG2 3.49Å; Y148-T152 HydrophobicContact CG-CG2 4.33Å; Y148-T152 PolarHBondContact O-N 2.81Å; Y148-T152 PolarHBondContact O-OG1 2.99Å
149	L	94.9	Very high	92.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-51.9	-52.4	-179.1	-69.8	174.9	0	0	0	112.4	Y106 L119 F145 W146 R147 R151 L153 M158 P185	Y106-L149 HydrophobicContact CD2-CD2 3.91Å; Y106-L149 HydrophobicContact CE2-CD2 3.87Å; L119-L149 HydrophobicContact CD1-CD1 3.66Å; L119-L149 HydrophobicContact CD1-CD2 4.03Å; L119-L149 HydrophobicContact CD1-CG 4.41Å; F145-L149 HydrophobicContact CD1-CD1 4.05Å; F145-L149 HydrophobicContact CD2-CG 4.48Å; F145-L149 HydrophobicContact CE1-CD1 3.65Å; F145-L149 HydrophobicContact CE1-CG 4.4Å; F145-L149 HydrophobicContact CE2-CD1 4.33Å; F145-L149 HydrophobicContact CE2-CD2 4.14Å; F145-L149 HydrophobicContact CE2-CG 4.23Å; F145-L149 HydrophobicContact CZ-CD1 3.82Å; F145-L149 HydrophobicContact CZ-CD2 4.17Å; F145-L149 HydrophobicContact CZ-CG 4.2Å; F145-L149 WeakPolarHBondContact O-CG 3.43Å; F145-L149 PolarHBondContact O-N 2.88Å; W146-L149 HydrophobicContact CE3-CD1 4.21Å; R147-L149 VanDerWaalsContact C-N 3.32Å; R147-L149 PolarHBondContact O-N 2.57Å; L149-R151 VanDerWaalsContact C-N 3.28Å; L149-R151 PolarHBondContact O-N 2.77Å; L149-L153 HydrophobicContact CD2-CD1 4.16Å; L149-L153 CarbonylContact O-C 3.58Å; L149-L153 WeakPolarHBondContact O-CA 3.29Å; L149-L153 WeakPolarHBondContact O-CB 3.4Å; L149-L153 PolarHBondContact O-N 3.36Å; L149-M158 HydrophobicContact CB-CE 3.77Å; L149-M158 HydrophobicContact CD2-CE 4.49Å; L149-M158 HydrophobicContact CD2-SD 4.4Å; L149-P185 HydrophobicContact CD1-CG 4.14Å
150	D	90.8	Very high	92.1	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-66	-29.7	179.4	-170.4	92.1	0	0	0	113.3	W146 R147 Y148 Q182 V183 S184 R482	W146-D150 PolarHBondContact O-N 3.06Å; R147-D150 PolarHBondContact O-N 2.83Å; Y148-D150 PolarHBondContact O-N 2.9Å; D150-Q182 HydrophobicContact CB-CB 4.21Å; D150-Q182 HydrophobicContact CB-CG 4.49Å; D150-V183 PolarHBondContact OD1-N 3.19Å; D150-S184 VanDerWaalsContact CB-O 3.26Å; D150-S184 WeakPolarHBondContact CB-O 3.3Å; D150-S184 PolarHBondContact OD1-N 3.4Å; D150-R482 IonicContact OD2-CZ 3.91Å; D150-R482 IonicContact OD2-NH2 2.79Å; D150-R482 PolarHBondContact OD2-NH2 3.07Å
151	R	89.5	Confident	92.1	Very high	116 Å²	116	33.5 Å²	33.5	44%	0.438	14%	0.137	S	C	.	.	H	α-helix	trans	-85.3	-26	-175.7	-62.9	-52	-179.9	-82.3	-9.8	113.5	R147 Y148 L149 R482	R147-R151 WeakPolarHBondContact O-CB 3.48Å; R147-R151 WeakPolarHBondContact O-CG 3.11Å; R147-R151 PolarHBondContact O-N 3.26Å; R147-R151 VanDerWaalsContact O-N 3.14Å; Y148-R151 PolarHBondContact O-N 3.41Å; L149-R151 VanDerWaalsContact C-N 3.28Å; L149-R151 PolarHBondContact O-N 2.77Å; R151-R482 VanDerWaalsContact CD-NH2 3.3Å
152	T	89.8	Confident	92.1	Very high	48 Å²	48	30.9 Å²	30.9	29%	0.294	13%	0.127	S	C	.	.	H	α-helix	trans	-112.1	-22.8	-176.4	60.9	0	0	0	0	113.6	Y148 P154	Y148-T152 HydrophobicContact CD2-CG2 3.72Å; Y148-T152 HydrophobicContact CE1-CG2 4.47Å; Y148-T152 WeakPolarHBondContact CE1-OG1 3.35Å; Y148-T152 HydrophobicContact CE2-CG2 3.49Å; Y148-T152 VanDerWaalsContact CE2-CG2 3.49Å; Y148-T152 HydrophobicContact CG-CG2 4.33Å; Y148-T152 PolarHBondContact O-N 2.81Å; Y148-T152 PolarHBondContact O-OG1 2.99Å; T152-P154 WeakPolarHBondContact O-CD 3.39Å
153	L	87.8	Confident	92.1	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	13%	0.127	C	C	.	.			trans	-126.6	65.5	178	-57.7	171.4	0	0	0	109.5	Y106 P116 L149 D155 M158	Y106-L153 HydrophobicContact CD2-CD1 4.35Å; Y106-L153 HydrophobicContact CG-CD1 4.47Å; P116-L153 HydrophobicContact CG-CD1 3.85Å; P116-L153 HydrophobicContact CG-CD2 4.46Å; L149-L153 HydrophobicContact CD2-CD1 4.16Å; L149-L153 CarbonylContact O-C 3.58Å; L149-L153 WeakPolarHBondContact O-CA 3.29Å; L149-L153 WeakPolarHBondContact O-CB 3.4Å; L149-L153 PolarHBondContact O-N 3.36Å; L153-D155 PolarHBondContact O-N 3.01Å; L153-M158 HydrophobicContact CB-CE 3.89Å; L153-M158 HydrophobicContact CB-SD 3.54Å; L153-M158 VanDerWaalsContact CB-SD 3.54Å; L153-M158 HydrophobicContact CD1-SD 3.79Å; L153-M158 HydrophobicContact CG-SD 4.33Å; L153-M158 VanDerWaalsContact O-CE 3.27Å; L153-M158 WeakPolarHBondContact O-CE 3.4Å
154	P	79.9	Confident	92	Very high	9 Å²	9	29.2 Å²	29.2	6%	0.058	12%	0.122	C	C	.	.			trans	-78.8	55.5	-172	36.8	-40.1	0	0	0	112.5	M115 T152 T483 N484	M115-P154 HydrophobicContact CE-CG 4.47Å; T152-P154 WeakPolarHBondContact O-CD 3.39Å; P154-T483 HydrophobicContact CB-CG2 4.08Å; P154-N484 PolarHBondContact O-N 2.83Å; P154-N484 VanDerWaalsContact O-N 3.16Å
155	D	82.2	Confident	92	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	11%	0.111	C	C	.	.			trans	-108	121	177.9	-177.1	6.6	0	0	0	110.1	T113 M115 L153 F157 M158 S184	T113-D155 WeakPolarHBondContact CB-OD2 3.49Å; T113-D155 PolarHBondContact OG1-OD2 2.92Å; M115-D155 HydrophobicContact CB-CB 4Å; M115-D155 HydrophobicContact CG-CB 4.45Å; M115-D155 HydrophobicContact SD-CB 3.68Å; L153-D155 PolarHBondContact O-N 3.01Å; D155-F157 PolarHBondContact O-N 2.92Å; D155-F157 WeakPolarHBondContact OD1-CB 3.42Å; D155-F157 WeakPolarHBondContact OD1-CD2 3.29Å; D155-F157 PolarHBondContact OD1-N 3.24Å; D155-M158 HydrophobicContact CB-CB 4.39Å; D155-M158 VanDerWaalsContact O-CB 3.26Å; D155-M158 WeakPolarHBondContact O-CB 3.1Å; D155-M158 PolarHBondContact O-N 2.89Å; D155-S184 PolarHBondContact O-OG 3.17Å
156	A	78.9	Confident	91.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-6.9	176.4	0	0	0	0	0	113.2	V183 M467 T485	A156-V183 HydrophobicContact CB-CG1 3.9Å; A156-M467 WeakPolarHBondContact CB-O 3.16Å; A156-T485 HydrophobicContact CB-CG2 3.64Å; A156-T485 WeakPolarHBondContact CB-OG1 3.45Å
157	F	83.3	Confident	91.9	Very high	29 Å²	29	27.3 Å²	27.3	13%	0.127	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-7.5	167.7	-64.5	-94.7	0	0	0	113.8	T113 V117 D155 H159 S235 T485 L488	T113-F157 HydrophobicContact CG2-CB 4.23Å; T113-F157 HydrophobicContact CG2-CD2 3.79Å; T113-F157 HydrophobicContact CG2-CE2 4.43Å; T113-F157 HydrophobicContact CG2-CG 4.11Å; V117-F157 WeakPolarHBondContact CA-O 3.19Å; V117-F157 HydrophobicContact CG1-CB 3.97Å; D155-F157 PolarHBondContact O-N 2.92Å; D155-F157 WeakPolarHBondContact OD1-CB 3.42Å; D155-F157 WeakPolarHBondContact OD1-CD2 3.29Å; D155-F157 PolarHBondContact OD1-N 3.24Å; F157-H159 PolarHBondContact O-N 3.44Å; F157-S235 VanDerWaalsContact CA-CB 3.41Å; F157-S235 WeakPolarHBondContact CA-OG 3.3Å; F157-S235 WeakPolarHBondContact CD1-OG 3.47Å; F157-S235 WeakPolarHBondContact O-CB 3.43Å; F157-T485 HydrophobicContact CD2-CG2 4.39Å; F157-T485 HydrophobicContact CE2-CG2 4.41Å; F157-L488 HydrophobicContact CE2-CD1 3.94Å; F157-L488 HydrophobicContact CZ-CD1 4.42Å
158	M	89.9	Confident	91.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.			trans	-70.4	124.3	176.2	-173.4	170.8	65.6	0	0	110.7	P116 L119 L149 L153 D155 P185 N186	P116-M158 WeakPolarHBondContact O-CG 3.35Å; L119-M158 HydrophobicContact CD1-CE 4.29Å; L119-M158 HydrophobicContact CD1-CG 3.65Å; L119-M158 HydrophobicContact CD1-SD 3.78Å; L119-M158 HydrophobicContact CD2-CG 3.7Å; L119-M158 HydrophobicContact CD2-SD 3.71Å; L119-M158 HydrophobicContact CG-CG 3.65Å; L119-M158 HydrophobicContact CG-SD 4.11Å; L149-M158 HydrophobicContact CB-CE 3.77Å; L149-M158 HydrophobicContact CD2-CE 4.49Å; L149-M158 HydrophobicContact CD2-SD 4.4Å; L153-M158 HydrophobicContact CB-CE 3.89Å; L153-M158 HydrophobicContact CB-SD 3.54Å; L153-M158 VanDerWaalsContact CB-SD 3.54Å; L153-M158 HydrophobicContact CD1-SD 3.79Å; L153-M158 HydrophobicContact CG-SD 4.33Å; L153-M158 VanDerWaalsContact O-CE 3.27Å; L153-M158 WeakPolarHBondContact O-CE 3.4Å; D155-M158 HydrophobicContact CB-CB 4.39Å; D155-M158 VanDerWaalsContact O-CB 3.26Å; D155-M158 WeakPolarHBondContact O-CB 3.1Å; D155-M158 PolarHBondContact O-N 2.89Å; M158-P185 HydrophobicContact CE-CB 4.09Å; M158-P185 HydrophobicContact CG-CB 4.19Å; M158-P185 CarbonylContact O-C 3.26Å; M158-P185 WeakPolarHBondContact O-CA 3.17Å; M158-N186 PolarHBondContact O-N 3.12Å
159	H	93.6	Very high	92	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	130.6	-168.3	-147.8	119.6	0	0	0	112.3	V117 Y118 L119 F157 N186 T188 S235 Y237	V117-H159 VanDerWaalsContact O-CB 3.29Å; V117-H159 WeakPolarHBondContact O-CB 3.37Å; V117-H159 PolarHBondContact O-N 3.26Å; Y118-H159 WeakPolarHBondContact CA-O 3.28Å; L119-H159 PolarHBondContact N-O 3.39Å; F157-H159 PolarHBondContact O-N 3.44Å; H159-N186 WeakPolarHBondContact CA-O 3.34Å; H159-T188 PolarHBondContact NE2-N 3.25Å; H159-T188 PolarHBondContact NE2-OG1 2.59Å; H159-S235 PolarHBondContact ND1-N 3.3Å; H159-Y237 AromaticContact CE1-CD1 3.92Å; H159-Y237 AromaticContact CE1-CE1 3.81Å
160	A	96.8	Very high	92.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	150.2	175.3	0	0	0	0	0	111.6	L119 L122 W146 P185 N186 L187 T188	L119-A160 HydrophobicContact CB-CB 4.23Å; L119-A160 HydrophobicContact CD1-CB 4.41Å; L122-A160 HydrophobicContact CD1-CB 3.69Å; L122-A160 HydrophobicContact CG-CB 4.3Å; W146-A160 HydrophobicContact CH2-CB 4.05Å; A160-P185 HydrophobicContact CB-CB 4.36Å; A160-P185 HydrophobicContact CB-CG 4.33Å; A160-N186 PolarHBondContact N-O 2.93Å; A160-L187 HydrophobicContact CB-CD1 4Å; A160-T188 PolarHBondContact O-N 2.79Å
161	N	98.3	Very high	92.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	150.3	171.5	-60.1	167.5	0	0	0	110.4	G120 Q121 L122 T188 I190 I233	G120-N161 PolarHBondContact O-N 3.02Å; Q121-N161 CarbonylContact C-O 3.56Å; Q121-N161 VanDerWaalsContact CA-O 3.26Å; Q121-N161 WeakPolarHBondContact CA-O 3.24Å; Q121-N161 HydrophobicContact CB-CB 4.23Å; Q121-N161 HydrophobicContact CG-CB 4.39Å; L122-N161 PolarHBondContact N-O 3.16Å; N161-T188 CarbonylContact C-O 3.4Å; N161-T188 VanDerWaalsContact CA-O 3.31Å; N161-T188 WeakPolarHBondContact CA-O 3.35Å; N161-I190 HydrophobicContact CB-CD1 4.4Å; N161-I233 PolarHBondContact ND2-O 2.7Å; N161-I233 PolarHBondContact OD1-N 2.97Å; N161-I233 PolarHBondContact OD1-O 3.15Å
162	I	98.3	Very high	92.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	173.5	171.6	56.8	166.2	0	0	0	109.7	D123 T170 I173 L174 L187 T188 F189 I190	D123-I162 HydrophobicContact CB-CG2 4.33Å; D123-I162 WeakPolarHBondContact OD1-CA 3.29Å; I162-T170 HydrophobicContact CB-CG2 4.42Å; I162-T170 HydrophobicContact CD1-CG2 4.22Å; I162-I173 HydrophobicContact CD1-CG2 4.4Å; I162-I173 HydrophobicContact CG2-CB 4.4Å; I162-I173 HydrophobicContact CG2-CD1 3.63Å; I162-I173 HydrophobicContact CG2-CG2 4.08Å; I162-L174 HydrophobicContact CD1-CD2 3.84Å; I162-L174 HydrophobicContact CD1-CG 3.98Å; I162-L187 HydrophobicContact CD1-CD1 4.18Å; I162-L187 HydrophobicContact CD1-CD2 3.95Å; I162-L187 HydrophobicContact CD1-CG 4.27Å; I162-L187 HydrophobicContact CG1-CD1 3.94Å; I162-L187 HydrophobicContact CG1-CG 4.31Å; I162-L187 HydrophobicContact CG2-CD1 4.16Å; I162-T188 PolarHBondContact N-O 2.86Å; I162-F189 HydrophobicContact CD1-CD2 4.06Å; I162-F189 HydrophobicContact CG1-CB 4.3Å; I162-F189 HydrophobicContact CG1-CD2 3.98Å; I162-F189 CarbonylContact O-C 3.57Å; I162-F189 WeakPolarHBondContact O-CA 3.39Å; I162-I190 PolarHBondContact O-N 3.09Å
163	G	97.7	Very high	93.3	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.01	8%	0.084	C	C	.	.			trans	79.9	177.4	-175.3	0	0	0	0	0	111.9	Q121 D123	Q121-G163 PolarHBondContact NE2-O 2.83Å; D123-G163 PolarHBondContact OD2-N 3.12Å
164	P	97.3	Very high	93.8	Very high	19 Å²	19	14.5 Å²	14.5	12%	0.123	8%	0.084	C	C	.	.	S	Bend	cis	-84.1	-11.8	-0.5	33.3	-35.3	0	0	0	114.5	I190 D192 I195 T196	P164-I190 WeakPolarHBondContact CA-O 3.4Å; P164-I190 VanDerWaalsContact CB-O 3.32Å; P164-I190 WeakPolarHBondContact CB-O 3.3Å; P164-D192 HydrophobicContact CB-CB 3.61Å; P164-D192 HydrophobicContact CG-CB 4.03Å; P164-I195 HydrophobicContact CB-CB 4.24Å; P164-I195 HydrophobicContact CB-CG2 4.24Å; P164-I195 HydrophobicContact CG-CB 4.27Å; P164-I195 HydrophobicContact CG-CD1 3.99Å; P164-I195 HydrophobicContact CG-CG2 4.08Å; P164-T196 WeakPolarHBondContact CB-OG1 3.48Å; P164-T196 WeakPolarHBondContact O-CA 3.31Å; P164-T196 PolarHBondContact O-OG1 2.92Å
165	S	96.4	Very high	94.6	Very high	63 Å²	63	18.5 Å²	18.5	44%	0.441	10%	0.098	S	C	.	.	S	Bend	trans	-75.6	146.5	-177.5	-58.2	0	0	0	0	112.5	S167 T170	S165-S167 PolarHBondContact O-N 2.86Å; S165-T170 PolarHBondContact O-OG1 2.98Å
166	D	97.4	Very high	95.4	Very high	71 Å²	71	18.5 Å²	18.5	38%	0.38	10%	0.099	S	C	.	.			trans	-81.8	114.9	170.4	-168.1	11.8	0	0	0	110.3	R171 P197 L200	D166-R171 WeakPolarHBondContact OD1-CG 3.44Å; D166-R171 IonicContact OD1-CZ 3.11Å; D166-R171 IonicContact OD1-NE 2.64Å; D166-R171 PolarHBondContact OD1-NE 3.12Å; D166-R171 IonicContact OD1-NH2 2.67Å; D166-R171 IonicContact OD2-CZ 3.81Å; D166-R171 IonicContact OD2-NE 3.73Å; D166-R171 PolarHBondContact OD2-NE 3.47Å; D166-R171 IonicContact OD2-NH2 3.01Å; D166-R171 PolarHBondContact OD2-NH2 2.93Å; D166-P197 HydrophobicContact CB-CG 4Å; D166-L200 HydrophobicContact CB-CD2 3.83Å
167	S	96	Very high	96.2	Very high	14 Å²	14	18.5 Å²	18.5	10%	0.098	10%	0.099	C	C	.	.			trans	-135	156.3	-179.7	82.5	0	0	0	0	111.7	S165 I169 T170 R171	S165-S167 PolarHBondContact O-N 2.86Å; S167-I169 PolarHBondContact O-N 3.21Å; S167-I169 VanDerWaalsContact O-N 3.14Å; S167-I169 PolarHBondContact OG-N 2.93Å; S167-T170 PolarHBondContact N-OG1 3.38Å; S167-T170 WeakPolarHBondContact O-CB 3.28Å; S167-T170 PolarHBondContact O-N 2.8Å; S167-T170 VanDerWaalsContact O-N 3.09Å; S167-T170 PolarHBondContact OG-N 3.28Å; S167-T170 PolarHBondContact OG-OG1 3.42Å; S167-R171 PolarHBondContact O-N 3.43Å
168	P	96.3	Very high	96.7	Very high	48 Å²	48	18.1 Å²	18.1	31%	0.312	10%	0.1	S	C	.	.	H	α-helix	trans	-49.7	-36.1	171.1	-31.8	38	0	0	0	113.8	Q135 I138 A172	Q135-P168 PolarHBondContact NE2-O 3.34Å; I138-P168 HydrophobicContact CD1-CB 3.66Å; P168-A172 VanDerWaalsContact O-CB 3.25Å; P168-A172 WeakPolarHBondContact O-CB 3.29Å; P168-A172 PolarHBondContact O-N 3.15Å
169	I	98	Very high	97	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-74.3	-43.3	178.6	-59.4	-72.2	0	0	0	111.2	L95 D123 L126 V130 I138 I142 S167 R171 A172 I173	L95-I169 HydrophobicContact CD1-CD1 4.47Å; D123-I169 HydrophobicContact CB-CB 4.14Å; D123-I169 HydrophobicContact CB-CG2 3.99Å; L126-I169 HydrophobicContact CB-CD1 4.17Å; L126-I169 HydrophobicContact CB-CG1 4.23Å; L126-I169 HydrophobicContact CB-CG2 4.28Å; L126-I169 HydrophobicContact CD1-CG2 4.29Å; V130-I169 HydrophobicContact CG2-CD1 3.63Å; V130-I169 HydrophobicContact CG2-CG1 3.74Å; I138-I169 HydrophobicContact CG2-CD1 3.55Å; I142-I169 HydrophobicContact CD1-CD1 4.01Å; I142-I169 HydrophobicContact CD1-CG2 4.24Å; I142-I169 HydrophobicContact CG1-CD1 4.23Å; S167-I169 PolarHBondContact O-N 3.21Å; S167-I169 VanDerWaalsContact O-N 3.14Å; S167-I169 PolarHBondContact OG-N 2.93Å; I169-R171 VanDerWaalsContact C-N 3.3Å; I169-R171 PolarHBondContact O-N 3.42Å; I169-A172 PolarHBondContact O-N 3.48Å; I169-I173 HydrophobicContact CG2-CD1 3.69Å; I169-I173 HydrophobicContact CG2-CG1 4.2Å; I169-I173 WeakPolarHBondContact O-CG1 3.23Å; I169-I173 PolarHBondContact O-N 2.87Å
170	T	98	Very high	97.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-54.7	-49	176.5	-46.7	0	0	0	0	110.2	D123 I162 S165 S167 I173 L174 F189 L200	D123-T170 VanDerWaalsContact CB-OG1 3.3Å; D123-T170 WeakPolarHBondContact CB-OG1 3.32Å; D123-T170 PolarHBondContact OD2-OG1 2.78Å; I162-T170 HydrophobicContact CB-CG2 4.42Å; I162-T170 HydrophobicContact CD1-CG2 4.22Å; S165-T170 PolarHBondContact O-OG1 2.98Å; S167-T170 PolarHBondContact N-OG1 3.38Å; S167-T170 WeakPolarHBondContact O-CB 3.28Å; S167-T170 PolarHBondContact O-N 2.8Å; S167-T170 VanDerWaalsContact O-N 3.09Å; S167-T170 PolarHBondContact OG-N 3.28Å; S167-T170 PolarHBondContact OG-OG1 3.42Å; T170-I173 PolarHBondContact O-N 3.46Å; T170-L174 WeakPolarHBondContact O-CG 3.33Å; T170-L174 PolarHBondContact O-N 3.12Å; T170-L174 VanDerWaalsContact O-N 3.13Å; T170-F189 HydrophobicContact CG2-CE2 4.32Å; T170-L200 HydrophobicContact CG2-CD1 4.19Å; T170-L200 HydrophobicContact CG2-CD2 4.37Å
171	R	97.4	Very high	96.9	Very high	41 Å²	41	28.3 Å²	28.3	16%	0.155	15%	0.148	C	C	.	.	H	α-helix	trans	-66.1	-40.8	178.3	-62.5	-81.1	-175.8	177.8	5.7	112	D166 S167 I169 L174 R175 D199	D166-R171 WeakPolarHBondContact OD1-CG 3.44Å; D166-R171 IonicContact OD1-CZ 3.11Å; D166-R171 IonicContact OD1-NE 2.64Å; D166-R171 PolarHBondContact OD1-NE 3.12Å; D166-R171 IonicContact OD1-NH2 2.67Å; D166-R171 IonicContact OD2-CZ 3.81Å; D166-R171 IonicContact OD2-NE 3.73Å; D166-R171 PolarHBondContact OD2-NE 3.47Å; D166-R171 IonicContact OD2-NH2 3.01Å; D166-R171 PolarHBondContact OD2-NH2 2.93Å; S167-R171 PolarHBondContact O-N 3.43Å; I169-R171 VanDerWaalsContact C-N 3.3Å; I169-R171 PolarHBondContact O-N 3.42Å; R171-L174 PolarHBondContact O-N 2.64Å; R171-R175 WeakPolarHBondContact O-CG 3.31Å; R171-R175 PolarHBondContact O-N 3.38Å; R171-D199 IonicContact CZ-OD2 2.8Å; R171-D199 IonicContact NH1-OD2 3.74Å; R171-D199 IonicContact NH2-OD2 4Å; R171-D199 PolarHBondContact NH2-OD2 2.75Å
172	A	98.2	Very high	96.5	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.017	15%	0.148	C	C	.	.	H	α-helix	trans	-63.4	-41	177.4	0	0	0	0	0	112.6	I138 D139 I142 P168 I169 R175 A176	I138-A172 HydrophobicContact CG2-CB 3.86Å; D139-A172 WeakPolarHBondContact OD1-CB 3.48Å; I142-A172 HydrophobicContact CB-CB 4.09Å; I142-A172 HydrophobicContact CG1-CB 3.93Å; I142-A172 HydrophobicContact CG2-CB 4.17Å; P168-A172 VanDerWaalsContact O-CB 3.25Å; P168-A172 WeakPolarHBondContact O-CB 3.29Å; P168-A172 PolarHBondContact O-N 3.15Å; I169-A172 PolarHBondContact O-N 3.48Å; A172-R175 PolarHBondContact O-N 2.82Å; A172-A176 WeakPolarHBondContact O-CB 3.46Å; A172-A176 PolarHBondContact O-N 3.17Å
173	I	98.3	Very high	95.9	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-65.2	-46.6	177.4	-71.5	171	0	0	0	110.5	L122 I142 W146 I162 I169 T170 R175 A176 D177 L187	L122-I173 HydrophobicContact CB-CD1 3.7Å; L122-I173 HydrophobicContact CD1-CD1 4.29Å; I142-I173 HydrophobicContact CG2-CB 4.49Å; I142-I173 HydrophobicContact CG2-CG1 3.73Å; W146-I173 HydrophobicContact CH2-CG2 3.58Å; W146-I173 HydrophobicContact CZ2-CG2 4.09Å; W146-I173 HydrophobicContact CZ3-CG1 4.34Å; W146-I173 HydrophobicContact CZ3-CG2 3.84Å; I162-I173 HydrophobicContact CD1-CG2 4.4Å; I162-I173 HydrophobicContact CG2-CB 4.4Å; I162-I173 HydrophobicContact CG2-CD1 3.63Å; I162-I173 HydrophobicContact CG2-CG2 4.08Å; I169-I173 HydrophobicContact CG2-CD1 3.69Å; I169-I173 HydrophobicContact CG2-CG1 4.2Å; I169-I173 WeakPolarHBondContact O-CG1 3.23Å; I169-I173 PolarHBondContact O-N 2.87Å; T170-I173 PolarHBondContact O-N 3.46Å; I173-R175 PolarHBondContact O-N 2.94Å; I173-A176 PolarHBondContact O-N 3.29Å; I173-D177 WeakPolarHBondContact O-CB 3.34Å; I173-D177 PolarHBondContact O-N 3.33Å; I173-L187 HydrophobicContact CG2-CD1 4.15Å; I173-L187 HydrophobicContact CG2-CD2 4.04Å
174	L	98.1	Very high	95.5	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-57.5	-48.5	176.9	-71.3	171.1	0	0	0	111.2	I162 T170 R171 A176 D177 A178 L187 L200 E203 V204 N207 P214	I162-L174 HydrophobicContact CD1-CD2 3.84Å; I162-L174 HydrophobicContact CD1-CG 3.98Å; T170-L174 WeakPolarHBondContact O-CG 3.33Å; T170-L174 PolarHBondContact O-N 3.12Å; T170-L174 VanDerWaalsContact O-N 3.13Å; R171-L174 PolarHBondContact O-N 2.64Å; L174-A176 PolarHBondContact O-N 3.03Å; L174-D177 PolarHBondContact O-N 3.48Å; L174-A178 PolarHBondContact O-N 3.44Å; L174-L187 HydrophobicContact CD2-CD2 4.4Å; L174-L200 HydrophobicContact CD1-CD1 3.92Å; L174-E203 HydrophobicContact CD1-CG 4.35Å; L174-V204 HydrophobicContact CD1-CG2 3.98Å; L174-V204 HydrophobicContact CD2-CG2 4.17Å; L174-N207 HydrophobicContact CD2-CB 4.26Å; L174-N207 PolarHBondContact O-OD1 3.07Å; L174-P214 HydrophobicContact CD2-CG 4.46Å
175	R	97.5	Very high	95.2	Very high	93 Å²	93	27.6 Å²	27.6	35%	0.351	14%	0.143	S	C	.	.	H	α-helix	trans	-58	-48.4	175.7	-74.6	-169.2	-71.7	-91.7	-3.7	112.3	Q135 D139 R171 A172 I173 D177 E179	Q135-R175 VanDerWaalsContact CD-NH2 3.26Å; D139-R175 IonicContact OD1-CZ 3.75Å; D139-R175 IonicContact OD1-NE 3.67Å; D139-R175 IonicContact OD1-NH2 3.96Å; D139-R175 PolarHBondContact OD1-NH2 3.22Å; D139-R175 IonicContact OD2-CZ 2.76Å; D139-R175 VanDerWaalsContact OD2-CZ 3.3Å; D139-R175 IonicContact OD2-NE 3.77Å; D139-R175 PolarHBondContact OD2-NE 3.35Å; D139-R175 IonicContact OD2-NH2 2.79Å; D139-R175 PolarHBondContact OD2-NH2 2.95Å; D139-R175 VanDerWaalsContact OD2-NH2 3.11Å; R171-R175 WeakPolarHBondContact O-CG 3.31Å; R171-R175 PolarHBondContact O-N 3.38Å; A172-R175 PolarHBondContact O-N 2.82Å; I173-R175 PolarHBondContact O-N 2.94Å; R175-D177 VanDerWaalsContact C-N 3.31Å; R175-D177 PolarHBondContact O-N 3.28Å; R175-E179 VanDerWaalsContact O-CB 3.25Å; R175-E179 WeakPolarHBondContact O-CB 3.35Å; R175-E179 PolarHBondContact O-N 3.46Å
176	A	97.5	Very high	95	Very high	5 Å²	5	24.6 Å²	24.6	4%	0.041	12%	0.122	C	C	.	.	H	α-helix	trans	-62.2	-39.2	179.2	0	0	0	0	0	112	I142 K143 W146 A172 I173 L174 L180	I142-A176 HydrophobicContact CG2-CB 4.18Å; K143-A176 HydrophobicContact CB-CB 4.48Å; W146-A176 HydrophobicContact CB-CB 4.31Å; W146-A176 HydrophobicContact CG-CB 4.33Å; A172-A176 WeakPolarHBondContact O-CB 3.46Å; A172-A176 PolarHBondContact O-N 3.17Å; I173-A176 PolarHBondContact O-N 3.29Å; L174-A176 PolarHBondContact O-N 3.03Å; A176-L180 WeakPolarHBondContact O-CB 3.44Å; A176-L180 WeakPolarHBondContact O-CG 3.37Å; A176-L180 PolarHBondContact O-N 3.4Å
177	D	95.8	Very high	94.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-69.4	-46.9	-179.1	-161.5	51.4	0	0	0	112.3	W146 I173 L174 R175 K181 L187 K213	W146-D177 HydrophobicContact CZ2-CB 4.28Å; W146-D177 PolarHBondContact NE1-OD1 3.25Å; I173-D177 WeakPolarHBondContact O-CB 3.34Å; I173-D177 PolarHBondContact O-N 3.33Å; L174-D177 PolarHBondContact O-N 3.48Å; R175-D177 VanDerWaalsContact C-N 3.31Å; R175-D177 PolarHBondContact O-N 3.28Å; D177-K181 WeakPolarHBondContact O-CA 3.39Å; D177-K181 PolarHBondContact O-N 2.81Å; D177-L187 HydrophobicContact CB-CD2 4.38Å; D177-K213 WeakPolarHBondContact OD1-CE 3.42Å; D177-K213 IonicContact OD1-NZ 2.72Å; D177-K213 PolarHBondContact OD1-NZ 3.11Å; D177-K213 WeakPolarHBondContact OD2-CB 3.45Å; D177-K213 VanDerWaalsContact OD2-CE 3.24Å; D177-K213 WeakPolarHBondContact OD2-CE 3.44Å; D177-K213 IonicContact OD2-NZ 3.25Å; D177-K213 PolarHBondContact OD2-NZ 3.21Å
178	A	95	Very high	94.9	Very high	20 Å²	20	20.6 Å²	20.6	17%	0.165	10%	0.099	C	C	.	.	H	α-helix	trans	-66.6	-36.7	176	0	0	0	0	0	113.1	L174 K181 N207 E210	L174-A178 PolarHBondContact O-N 3.44Å; A178-K181 WeakPolarHBondContact O-CE 3.26Å; A178-K181 WeakPolarHBondContact O-CG 3.33Å; A178-N207 WeakPolarHBondContact CB-OD1 3.24Å; A178-E210 HydrophobicContact CB-CB 4.49Å; A178-E210 HydrophobicContact CB-CG 4.24Å
179	E	95.8	Very high	95	Very high	115 Å²	115	18.3 Å²	18.3	54%	0.537	8%	0.084	S	C	.	.	H	α-helix	trans	-71.7	-47.1	179.1	-165	-157.2	140.3	0	0	111.5	K143 R175	K143-E179 VanDerWaalsContact CE-OE1 3.23Å; K143-E179 WeakPolarHBondContact CE-OE1 3.49Å; K143-E179 VanDerWaalsContact CE-OE2 3.29Å; K143-E179 WeakPolarHBondContact CE-OE2 3.26Å; K143-E179 IonicContact NZ-OE1 3.67Å; K143-E179 PolarHBondContact NZ-OE1 3.4Å; K143-E179 IonicContact NZ-OE2 3.94Å; K143-E179 PolarHBondContact NZ-OE2 3.19Å; R175-E179 VanDerWaalsContact O-CB 3.25Å; R175-E179 WeakPolarHBondContact O-CB 3.35Å; R175-E179 PolarHBondContact O-N 3.46Å
180	L	94.7	Very high	95	Very high	26 Å²	26	18.6 Å²	18.6	14%	0.136	9%	0.086	C	C	.	.	H	α-helix	trans	-82.7	-23.9	-172.9	-60.9	173.4	0	0	0	113	K143 W146 R147 A176 Q182	K143-L180 HydrophobicContact CG-CD1 4.07Å; K143-L180 HydrophobicContact CG-CD2 4.4Å; K143-L180 HydrophobicContact CG-CG 4.47Å; W146-L180 HydrophobicContact CB-CD1 3.95Å; W146-L180 HydrophobicContact CG-CD1 4.34Å; R147-L180 HydrophobicContact CG-CD1 3.71Å; R147-L180 HydrophobicContact CG-CD2 4.06Å; A176-L180 WeakPolarHBondContact O-CB 3.44Å; A176-L180 WeakPolarHBondContact O-CG 3.37Å; A176-L180 PolarHBondContact O-N 3.4Å; L180-Q182 VanDerWaalsContact C-N 3.28Å; L180-Q182 HydrophobicContact CB-CG 3.58Å; L180-Q182 WeakPolarHBondContact O-CG 3.14Å; L180-Q182 PolarHBondContact O-N 2.73Å
181	K	93	Very high	95	Very high	73 Å²	73	19.6 Å²	19.6	32%	0.317	9%	0.09	S	C	.	.			trans	44.9	52.7	179	-56.8	-176.8	179.5	-177.8	0	111.7	D177 A178 E210 C211 L460 R469	D177-K181 WeakPolarHBondContact O-CA 3.39Å; D177-K181 PolarHBondContact O-N 2.81Å; A178-K181 WeakPolarHBondContact O-CE 3.26Å; A178-K181 WeakPolarHBondContact O-CG 3.33Å; K181-E210 WeakPolarHBondContact CE-OE1 3.24Å; K181-E210 IonicContact NZ-OE1 3.07Å; K181-E210 PolarHBondContact NZ-OE1 3.33Å; K181-C211 HydrophobicContact CG-CB 4.16Å; K181-L460 VanDerWaalsContact C-CD1 3.41Å; K181-L460 HydrophobicContact CB-CD1 3.95Å; K181-L460 WeakPolarHBondContact O-CD1 3.5Å; K181-R469 PolarHBondContact O-NH1 3.12Å; K181-R469 PolarHBondContact O-NH2 3.05Å
182	Q	90.6	Very high	95	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.009	9%	0.085	C	C	.	.			trans	-91	155.9	-175.7	-55.9	-174.9	113.2	0	0	111.2	W146 D150 L180 K213	W146-Q182 VanDerWaalsContact CD1-NE2 3.27Å; W146-Q182 PolarHBondContact O-NE2 3.08Å; D150-Q182 HydrophobicContact CB-CB 4.21Å; D150-Q182 HydrophobicContact CB-CG 4.49Å; L180-Q182 VanDerWaalsContact C-N 3.28Å; L180-Q182 HydrophobicContact CB-CG 3.58Å; L180-Q182 WeakPolarHBondContact O-CG 3.14Å; L180-Q182 PolarHBondContact O-N 2.73Å; Q182-K213 WeakPolarHBondContact O-CE 3.45Å; Q182-K213 PolarHBondContact O-NZ 3.06Å
183	V	85.5	Confident	94.9	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.024	11%	0.108	C	C	.	.	S	Bend	trans	-71.1	-46.1	175.7	170.3	0	0	0	0	109.4	D150 A156 P185 L460 M467 R469	D150-V183 PolarHBondContact OD1-N 3.19Å; A156-V183 HydrophobicContact CB-CG1 3.9Å; V183-P185 CarbonylContact O-C 3.53Å; V183-L460 HydrophobicContact CG2-CD2 3.84Å; V183-M467 HydrophobicContact CG1-CB 4.17Å; V183-M467 HydrophobicContact CG1-CG 4.33Å; V183-M467 WeakPolarHBondContact CG1-O 3.33Å; V183-R469 HydrophobicContact CG2-CB 3.83Å
184	S	88.3	Confident	94.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-116.7	139.7	-174.7	-62.3	0	0	0	0	111	D150 D155	D150-S184 VanDerWaalsContact CB-O 3.26Å; D150-S184 WeakPolarHBondContact CB-O 3.3Å; D150-S184 PolarHBondContact OD1-N 3.4Å; D155-S184 PolarHBondContact O-OG 3.17Å
185	P	92.1	Very high	94.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	S	Bend	cis	-72.5	158.7	-8.3	34.1	-36.2	0	0	0	112	L119 W146 L149 M158 A160 V183 K213	L119-P185 HydrophobicContact CD1-CB 3.69Å; L119-P185 HydrophobicContact CD1-CG 4.02Å; W146-P185 HydrophobicContact CD2-CG 4.25Å; W146-P185 HydrophobicContact CE3-CG 4.29Å; W146-P185 HydrophobicContact CH2-CG 3.48Å; W146-P185 VanDerWaalsContact CH2-CG 3.48Å; W146-P185 HydrophobicContact CZ2-CG 3.44Å; W146-P185 VanDerWaalsContact CZ2-CG 3.44Å; W146-P185 HydrophobicContact CZ3-CG 3.93Å; L149-P185 HydrophobicContact CD1-CG 4.14Å; M158-P185 HydrophobicContact CE-CB 4.09Å; M158-P185 HydrophobicContact CG-CB 4.19Å; M158-P185 CarbonylContact O-C 3.26Å; M158-P185 WeakPolarHBondContact O-CA 3.17Å; A160-P185 HydrophobicContact CB-CB 4.36Å; A160-P185 HydrophobicContact CB-CG 4.33Å; V183-P185 CarbonylContact O-C 3.53Å; P185-K213 PolarHBondContact O-NZ 3.06Å; P185-K213 VanDerWaalsContact O-NZ 3.09Å
186	N	91.6	Very high	94.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	158	158.1	-160.4	-1.3	0	0	0	109	M158 H159 A160 R462	M158-N186 PolarHBondContact O-N 3.12Å; H159-N186 WeakPolarHBondContact CA-O 3.34Å; A160-N186 PolarHBondContact N-O 2.93Å; N186-R462 PolarHBondContact OD1-NH2 2.92Å
187	L	95	Very high	94.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.4	-170.8	-171.8	61.5	0	0	0	110.8	W146 A160 I162 I173 L174 D177 P214 H215	W146-L187 HydrophobicContact CH2-CD1 4.07Å; A160-L187 HydrophobicContact CB-CD1 4Å; I162-L187 HydrophobicContact CD1-CD1 4.18Å; I162-L187 HydrophobicContact CD1-CD2 3.95Å; I162-L187 HydrophobicContact CD1-CG 4.27Å; I162-L187 HydrophobicContact CG1-CD1 3.94Å; I162-L187 HydrophobicContact CG1-CG 4.31Å; I162-L187 HydrophobicContact CG2-CD1 4.16Å; I173-L187 HydrophobicContact CG2-CD1 4.15Å; I173-L187 HydrophobicContact CG2-CD2 4.04Å; L174-L187 HydrophobicContact CD2-CD2 4.4Å; D177-L187 HydrophobicContact CB-CD2 4.38Å; L187-P214 HydrophobicContact CB-CB 3.93Å; L187-P214 HydrophobicContact CD2-CB 3.97Å; L187-P214 HydrophobicContact CG-CB 3.72Å; L187-P214 CarbonylContact O-C 3.12Å; L187-P214 VanDerWaalsContact O-CA 3.27Å; L187-P214 WeakPolarHBondContact O-CA 3.33Å; L187-P214 VanDerWaalsContact O-CB 3.29Å; L187-P214 WeakPolarHBondContact O-CB 3.48Å; L187-H215 PolarHBondContact O-N 3.26Å
188	T	96.7	Very high	94.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.4	165.8	-64.5	0	0	0	0	110	H159 A160 N161 I162 H215 A217 I233	H159-T188 PolarHBondContact NE2-N 3.25Å; H159-T188 PolarHBondContact NE2-OG1 2.59Å; A160-T188 PolarHBondContact O-N 2.79Å; N161-T188 CarbonylContact C-O 3.4Å; N161-T188 VanDerWaalsContact CA-O 3.31Å; N161-T188 WeakPolarHBondContact CA-O 3.35Å; I162-T188 PolarHBondContact N-O 2.86Å; T188-H215 CarbonylContact C-O 3.5Å; T188-H215 VanDerWaalsContact CA-O 3.31Å; T188-H215 WeakPolarHBondContact CA-O 3.27Å; T188-A217 HydrophobicContact CG2-CB 3.65Å; T188-I233 HydrophobicContact CG2-CB 4.06Å; T188-I233 HydrophobicContact CG2-CG1 4.09Å; T188-I233 HydrophobicContact CG2-CG2 4.08Å; T188-I233 WeakPolarHBondContact OG1-CG2 3.24Å
189	F	98.1	Very high	95	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.6	166.1	179.8	-96.4	0	0	0	109.2	I162 T170 Y191 T196 L200 V204 P214 H215 I216 A217	I162-F189 HydrophobicContact CD1-CD2 4.06Å; I162-F189 HydrophobicContact CG1-CB 4.3Å; I162-F189 HydrophobicContact CG1-CD2 3.98Å; I162-F189 CarbonylContact O-C 3.57Å; I162-F189 WeakPolarHBondContact O-CA 3.39Å; T170-F189 HydrophobicContact CG2-CE2 4.32Å; F189-Y191 HydrophobicContact CE1-CD2 4.3Å; F189-T196 HydrophobicContact CE1-CG2 3.9Å; F189-T196 HydrophobicContact CZ-CG2 3.62Å; F189-L200 HydrophobicContact CE2-CD2 3.92Å; F189-L200 HydrophobicContact CE2-CG 4.13Å; F189-L200 HydrophobicContact CZ-CD2 3.94Å; F189-L200 HydrophobicContact CZ-CG 4.11Å; F189-V204 HydrophobicContact CB-CG1 4.27Å; F189-V204 HydrophobicContact CB-CG2 4.28Å; F189-V204 HydrophobicContact CD1-CG1 4.32Å; F189-V204 HydrophobicContact CD1-CG2 4Å; F189-V204 HydrophobicContact CD2-CG2 3.66Å; F189-V204 HydrophobicContact CE1-CG2 4.25Å; F189-V204 HydrophobicContact CE2-CG2 3.95Å; F189-V204 HydrophobicContact CG-CG1 4.3Å; F189-V204 HydrophobicContact CG-CG2 3.7Å; F189-V204 HydrophobicContact CZ-CG2 4.24Å; F189-P214 HydrophobicContact CB-CB 4.2Å; F189-P214 HydrophobicContact CB-CG 3.74Å; F189-H215 PolarHBondContact N-O 3.18Å; F189-I216 HydrophobicContact CD1-CG2 4.24Å; F189-I216 CarbonylContact O-C 3.59Å; F189-I216 WeakPolarHBondContact O-CA 3.13Å; F189-A217 PolarHBondContact O-N 3.45Å
190	I	98	Very high	95.1	Very high	6 Å²	6	35 Å²	35	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	115.5	172.6	-59.1	173.1	0	0	0	106.7	N161 I162 P164 Y231	N161-I190 HydrophobicContact CB-CD1 4.4Å; I162-I190 PolarHBondContact O-N 3.09Å; P164-I190 WeakPolarHBondContact CA-O 3.4Å; P164-I190 VanDerWaalsContact CB-O 3.32Å; P164-I190 WeakPolarHBondContact CB-O 3.3Å; I190-Y231 HydrophobicContact CD1-CE2 4.36Å; I190-Y231 WeakPolarHBondContact CG2-OH 3.27Å
191	Y	98.3	Very high	95.3	Very high	22 Å²	22	33.9 Å²	33.9	9%	0.086	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.2	178.2	171.2	-103.8	0	0	0	110.7	F189 P193 T196 L201 A217 G219 P220 L441 F444	F189-Y191 HydrophobicContact CE1-CD2 4.3Å; Y191-P193 HydrophobicContact CE1-CB 4.11Å; Y191-P193 HydrophobicContact CE1-CG 4.47Å; Y191-T196 HydrophobicContact CD2-CG2 3.86Å; Y191-T196 HydrophobicContact CE2-CG2 4.1Å; Y191-L201 HydrophobicContact CD2-CD1 4.09Å; Y191-L201 HydrophobicContact CD2-CD2 4.15Å; Y191-L201 HydrophobicContact CE2-CD1 4.47Å; Y191-L201 HydrophobicContact CE2-CD2 3.69Å; Y191-L201 HydrophobicContact CE2-CG 4.5Å; Y191-A217 PolarHBondContact N-O 2.95Å; Y191-G219 WeakPolarHBondContact O-CA 3.49Å; Y191-G219 PolarHBondContact O-N 3.24Å; Y191-P220 WeakPolarHBondContact O-CD 3.41Å; Y191-L441 HydrophobicContact CE1-CD2 3.91Å; Y191-L441 HydrophobicContact CE2-CD2 4.38Å; Y191-L441 VanDerWaalsContact OH-CD2 3.3Å; Y191-L441 WeakPolarHBondContact OH-CD2 3.44Å; Y191-F444 AromaticContact CD1-CD2 3.64Å; Y191-F444 HydrophobicContact CD1-CD2 3.64Å; Y191-F444 AromaticContact CD1-CE2 3.53Å; Y191-F444 HydrophobicContact CD1-CE2 3.53Å; Y191-F444 HydrophobicContact CE1-CD2 4.02Å; Y191-F444 HydrophobicContact CE1-CE2 4.32Å; Y191-F444 HydrophobicContact CG-CE2 4.02Å
192	D	98	Very high	95.5	Very high	10 Å²	10	32.4 Å²	32.4	5%	0.053	17%	0.172	C	C	.	.			trans	-133.6	120.5	169.1	-174.4	-36.7	0	0	0	108.8	P164 E194 I195 T196 P220	P164-D192 HydrophobicContact CB-CB 3.61Å; P164-D192 HydrophobicContact CG-CB 4.03Å; D192-E194 PolarHBondContact O-N 2.9Å; D192-E194 VanDerWaalsContact O-N 3.14Å; D192-E194 PolarHBondContact OD1-N 2.92Å; D192-I195 HydrophobicContact CB-CB 4.1Å; D192-I195 HydrophobicContact CB-CD1 4.2Å; D192-I195 HydrophobicContact CB-CG1 4.24Å; D192-I195 PolarHBondContact O-N 3.2Å; D192-I195 VanDerWaalsContact O-N 3.12Å; D192-I195 WeakPolarHBondContact OD2-CD1 3.48Å; D192-T196 PolarHBondContact N-OG1 3.27Å; D192-T196 VanDerWaalsContact O-CB 3.25Å; D192-T196 WeakPolarHBondContact O-CB 3.21Å; D192-T196 PolarHBondContact O-N 2.78Å; D192-T196 PolarHBondContact O-OG1 3.02Å; D192-P220 HydrophobicContact CB-CG 4.45Å
193	P	96.2	Very high	95.9	Very high	78 Å²	78	34.9 Å²	34.9	51%	0.506	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.7	-177.1	28.2	-36.1	0	0	0	114.2	Y191	Y191-P193 HydrophobicContact CE1-CB 4.11Å; Y191-P193 HydrophobicContact CE1-CG 4.47Å
194	E	96.7	Very high	96.5	Very high	181 Å²	181	34.7 Å²	34.7	85%	0.846	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-16.8	178.5	-60.3	-172.8	159.8	0	0	112.7	D192	D192-E194 PolarHBondContact O-N 2.9Å; D192-E194 VanDerWaalsContact O-N 3.14Å; D192-E194 PolarHBondContact OD1-N 2.92Å
195	I	97.2	Very high	96.9	Very high	64 Å²	64	34.8 Å²	34.8	33%	0.328	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-39.7	-172.2	-55.1	174.6	0	0	0	111.7	P164 D192 P197	P164-I195 HydrophobicContact CB-CB 4.24Å; P164-I195 HydrophobicContact CB-CG2 4.24Å; P164-I195 HydrophobicContact CG-CB 4.27Å; P164-I195 HydrophobicContact CG-CD1 3.99Å; P164-I195 HydrophobicContact CG-CG2 4.08Å; D192-I195 HydrophobicContact CB-CB 4.1Å; D192-I195 HydrophobicContact CB-CD1 4.2Å; D192-I195 HydrophobicContact CB-CG1 4.24Å; D192-I195 PolarHBondContact O-N 3.2Å; D192-I195 VanDerWaalsContact O-N 3.12Å; D192-I195 WeakPolarHBondContact OD2-CD1 3.48Å; I195-P197 VanDerWaalsContact O-CD 3.29Å; I195-P197 WeakPolarHBondContact O-CD 3.41Å
196	T	98.3	Very high	97.2	Very high	8 Å²	8	39 Å²	39	5%	0.049	20%	0.202	C	C	.	.	S	Bend	trans	-79.3	118.7	-173.6	-61.6	0	0	0	0	110.9	P164 F189 Y191 D192 L200 L201	P164-T196 WeakPolarHBondContact CB-OG1 3.48Å; P164-T196 WeakPolarHBondContact O-CA 3.31Å; P164-T196 PolarHBondContact O-OG1 2.92Å; F189-T196 HydrophobicContact CE1-CG2 3.9Å; F189-T196 HydrophobicContact CZ-CG2 3.62Å; Y191-T196 HydrophobicContact CD2-CG2 3.86Å; Y191-T196 HydrophobicContact CE2-CG2 4.1Å; D192-T196 PolarHBondContact N-OG1 3.27Å; D192-T196 VanDerWaalsContact O-CB 3.25Å; D192-T196 WeakPolarHBondContact O-CB 3.21Å; D192-T196 PolarHBondContact O-N 2.78Å; D192-T196 PolarHBondContact O-OG1 3.02Å; T196-L200 HydrophobicContact CG2-CB 4.42Å; T196-L200 HydrophobicContact CG2-CD2 4.29Å; T196-L200 HydrophobicContact CG2-CG 4.44Å; T196-L201 HydrophobicContact CG2-CB 4.26Å
197	P	97.6	Very high	97.4	Very high	43 Å²	43	39.3 Å²	39.3	28%	0.279	20%	0.203	S	C	.	.			trans	-65.3	146.1	172.7	-22.5	36.3	0	0	0	112.5	D166 I195 D199 L200 L201	D166-P197 HydrophobicContact CB-CG 4Å; I195-P197 VanDerWaalsContact O-CD 3.29Å; I195-P197 WeakPolarHBondContact O-CD 3.41Å; P197-D199 VanDerWaalsContact C-N 3.25Å; P197-D199 WeakPolarHBondContact CB-OD1 3.34Å; P197-D199 PolarHBondContact O-N 2.85Å; P197-L200 HydrophobicContact CB-CB 4.39Å; P197-L200 WeakPolarHBondContact O-CB 3.44Å; P197-L200 PolarHBondContact O-N 2.63Å; P197-L201 PolarHBondContact O-N 3.26Å; P197-L201 VanDerWaalsContact O-N 3.11Å
198	D	96.5	Very high	97.4	Very high	131 Å²	131	39.3 Å²	39.3	70%	0.701	20%	0.203	S	C	*	.	H	α-helix	trans	-57.4	-37.8	179.9	-74.3	-18	0	0	0	112.7	L200 L201 L202	D198-L200 VanDerWaalsContact C-N 3.34Å; D198-L201 PolarHBondContact O-N 2.67Å; D198-L202 WeakPolarHBondContact O-CB 3.26Å; D198-L202 PolarHBondContact O-N 3.06Å
199	D	97.6	Very high	97.3	Very high	87 Å²	87	39.5 Å²	39.5	47%	0.465	21%	0.205	S	C	.	.	H	α-helix	trans	-72.5	-27.1	-180	71	-62.3	0	0	0	112.6	R171 P197 E203	R171-D199 IonicContact CZ-OD2 2.8Å; R171-D199 IonicContact NH1-OD2 3.74Å; R171-D199 IonicContact NH2-OD2 4Å; R171-D199 PolarHBondContact NH2-OD2 2.75Å; P197-D199 VanDerWaalsContact C-N 3.25Å; P197-D199 WeakPolarHBondContact CB-OD1 3.34Å; P197-D199 PolarHBondContact O-N 2.85Å; D199-E203 PolarHBondContact O-N 3.27Å; D199-E203 VanDerWaalsContact O-N 3.07Å
200	L	98.3	Very high	97.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-71	-44.7	170.1	177.7	60.3	0	0	0	110.8	D166 T170 L174 F189 T196 P197 D198 L202 E203 V204	D166-L200 HydrophobicContact CB-CD2 3.83Å; T170-L200 HydrophobicContact CG2-CD1 4.19Å; T170-L200 HydrophobicContact CG2-CD2 4.37Å; L174-L200 HydrophobicContact CD1-CD1 3.92Å; F189-L200 HydrophobicContact CE2-CD2 3.92Å; F189-L200 HydrophobicContact CE2-CG 4.13Å; F189-L200 HydrophobicContact CZ-CD2 3.94Å; F189-L200 HydrophobicContact CZ-CG 4.11Å; T196-L200 HydrophobicContact CG2-CB 4.42Å; T196-L200 HydrophobicContact CG2-CD2 4.29Å; T196-L200 HydrophobicContact CG2-CG 4.44Å; P197-L200 HydrophobicContact CB-CB 4.39Å; P197-L200 WeakPolarHBondContact O-CB 3.44Å; P197-L200 PolarHBondContact O-N 2.63Å; D198-L200 VanDerWaalsContact C-N 3.34Å; L200-L202 VanDerWaalsContact C-N 3.27Å; L200-L202 PolarHBondContact O-N 3.06Å; L200-E203 WeakPolarHBondContact O-CB 3.44Å; L200-E203 PolarHBondContact O-N 2.95Å; L200-E203 VanDerWaalsContact O-N 3.1Å; L200-V204 WeakPolarHBondContact O-CG2 3.46Å; L200-V204 PolarHBondContact O-N 2.92Å
201	L	98	Very high	96.8	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-37.3	175.9	-178.6	61	0	0	0	111.6	Y191 T196 P197 D198 E203 V204 A205 I216 V437 L441	Y191-L201 HydrophobicContact CD2-CD1 4.09Å; Y191-L201 HydrophobicContact CD2-CD2 4.15Å; Y191-L201 HydrophobicContact CE2-CD1 4.47Å; Y191-L201 HydrophobicContact CE2-CD2 3.69Å; Y191-L201 HydrophobicContact CE2-CG 4.5Å; T196-L201 HydrophobicContact CG2-CB 4.26Å; P197-L201 PolarHBondContact O-N 3.26Å; P197-L201 VanDerWaalsContact O-N 3.11Å; D198-L201 PolarHBondContact O-N 2.67Å; L201-E203 VanDerWaalsContact C-N 3.34Å; L201-V204 WeakPolarHBondContact O-CB 3.26Å; L201-V204 PolarHBondContact O-N 3.39Å; L201-A205 PolarHBondContact O-N 3.37Å; L201-I216 HydrophobicContact CD1-CD1 4.25Å; L201-V437 HydrophobicContact CD2-CG1 3.69Å; L201-V437 HydrophobicContact CG-CG1 4.03Å; L201-V437 HydrophobicContact CG-CG2 4.4Å; L201-L441 HydrophobicContact CD2-CD1 4.31Å; L201-L441 HydrophobicContact CD2-CD2 3.85Å; L201-L441 HydrophobicContact CD2-CG 4.13Å
202	L	97.8	Very high	96.5	Very high	42 Å²	42	42.4 Å²	42.4	22%	0.22	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-39.7	172.9	-179.2	60.5	0	0	0	112	D198 L200 A205 K206 P433 Q434 V437	D198-L202 WeakPolarHBondContact O-CB 3.26Å; D198-L202 PolarHBondContact O-N 3.06Å; L200-L202 VanDerWaalsContact C-N 3.27Å; L200-L202 PolarHBondContact O-N 3.06Å; L202-A205 WeakPolarHBondContact O-CB 3.29Å; L202-A205 PolarHBondContact O-N 3.48Å; L202-K206 WeakPolarHBondContact O-CG 3.03Å; L202-K206 PolarHBondContact O-N 2.95Å; L202-P433 HydrophobicContact CD1-CB 4.21Å; L202-Q434 HydrophobicContact CD1-CB 4.43Å; L202-V437 HydrophobicContact CB-CG2 4.47Å; L202-V437 HydrophobicContact CD1-CG2 4.07Å
203	E	98	Very high	96.2	Very high	54 Å²	54	41.9 Å²	41.9	25%	0.252	22%	0.216	S	C	.	.	H	α-helix	trans	-64	-42.5	175	-164.4	67.2	-173.5	0	0	111.7	L174 D199 L200 L201 A205 K206 N207	L174-E203 HydrophobicContact CD1-CG 4.35Å; D199-E203 PolarHBondContact O-N 3.27Å; D199-E203 VanDerWaalsContact O-N 3.07Å; L200-E203 WeakPolarHBondContact O-CB 3.44Å; L200-E203 PolarHBondContact O-N 2.95Å; L200-E203 VanDerWaalsContact O-N 3.1Å; L201-E203 VanDerWaalsContact C-N 3.34Å; E203-A205 VanDerWaalsContact C-N 3.29Å; E203-A205 PolarHBondContact O-N 3.49Å; E203-K206 WeakPolarHBondContact O-CB 3.47Å; E203-K206 PolarHBondContact O-N 2.87Å; E203-K206 WeakPolarHBondContact OE2-CD 3.49Å; E203-K206 IonicContact OE2-NZ 3.9Å; E203-K206 PolarHBondContact OE2-NZ 3.2Å; E203-N207 PolarHBondContact O-N 3.18Å
204	V	98.2	Very high	96.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-56.2	-44.1	172	165.7	0	0	0	0	111.1	L174 F189 L200 L201 N207 I208 P214 I216	L174-V204 HydrophobicContact CD1-CG2 3.98Å; L174-V204 HydrophobicContact CD2-CG2 4.17Å; F189-V204 HydrophobicContact CB-CG1 4.27Å; F189-V204 HydrophobicContact CB-CG2 4.28Å; F189-V204 HydrophobicContact CD1-CG1 4.32Å; F189-V204 HydrophobicContact CD1-CG2 4Å; F189-V204 HydrophobicContact CD2-CG2 3.66Å; F189-V204 HydrophobicContact CE1-CG2 4.25Å; F189-V204 HydrophobicContact CE2-CG2 3.95Å; F189-V204 HydrophobicContact CG-CG1 4.3Å; F189-V204 HydrophobicContact CG-CG2 3.7Å; F189-V204 HydrophobicContact CZ-CG2 4.24Å; L200-V204 WeakPolarHBondContact O-CG2 3.46Å; L200-V204 PolarHBondContact O-N 2.92Å; L201-V204 WeakPolarHBondContact O-CB 3.26Å; L201-V204 PolarHBondContact O-N 3.39Å; V204-N207 VanDerWaalsContact O-CB 3.25Å; V204-N207 WeakPolarHBondContact O-CB 3.43Å; V204-N207 PolarHBondContact O-N 2.94Å; V204-I208 HydrophobicContact CG1-CD1 4.43Å; V204-I208 WeakPolarHBondContact O-CG1 3.37Å; V204-I208 PolarHBondContact O-N 3.04Å; V204-I208 VanDerWaalsContact O-N 3.08Å; V204-P214 HydrophobicContact CG1-CG 3.58Å; V204-I216 HydrophobicContact CG1-CD1 3.78Å; V204-I216 HydrophobicContact CG1-CG1 3.99Å
205	A	97	Very high	96	Very high	2 Å²	2	29.6 Å²	29.6	2%	0.017	15%	0.152	C	C	.	.	H	α-helix	trans	-65.1	-39.4	177.1	0	0	0	0	0	113.1	L201 L202 E203 N207 I208 C209 P433 L436 V437	L201-A205 PolarHBondContact O-N 3.37Å; L202-A205 WeakPolarHBondContact O-CB 3.29Å; L202-A205 PolarHBondContact O-N 3.48Å; E203-A205 VanDerWaalsContact C-N 3.29Å; E203-A205 PolarHBondContact O-N 3.49Å; A205-N207 VanDerWaalsContact C-N 3.28Å; A205-N207 PolarHBondContact O-N 3.45Å; A205-I208 PolarHBondContact O-N 2.87Å; A205-C209 PolarHBondContact O-N 3.23Å; A205-C209 PolarHBondContact O-SG 3.38Å; A205-P433 HydrophobicContact CB-CB 4.45Å; A205-L436 HydrophobicContact CB-CB 4.27Å; A205-L436 HydrophobicContact CB-CD2 3.96Å; A205-L436 HydrophobicContact CB-CG 4.3Å; A205-L436 WeakPolarHBondContact O-CD2 3.45Å; A205-V437 HydrophobicContact CB-CG2 3.5Å
206	K	97.2	Very high	96	Very high	90 Å²	90	26.6 Å²	26.6	39%	0.391	14%	0.137	S	C	.	.	H	α-helix	trans	-61	-40.5	172.3	-67.8	174.3	-160.2	158.6	0	111.2	L202 E203 I208 C209 E210 P433	L202-K206 WeakPolarHBondContact O-CG 3.03Å; L202-K206 PolarHBondContact O-N 2.95Å; E203-K206 WeakPolarHBondContact O-CB 3.47Å; E203-K206 PolarHBondContact O-N 2.87Å; E203-K206 WeakPolarHBondContact OE2-CD 3.49Å; E203-K206 IonicContact OE2-NZ 3.9Å; E203-K206 PolarHBondContact OE2-NZ 3.2Å; K206-I208 VanDerWaalsContact C-N 3.32Å; K206-I208 PolarHBondContact O-N 3.2Å; K206-C209 WeakPolarHBondContact O-CB 3.11Å; K206-C209 PolarHBondContact O-N 3.01Å; K206-C209 VanDerWaalsContact O-N 3.15Å; K206-E210 WeakPolarHBondContact O-CB 3.14Å; K206-E210 PolarHBondContact O-N 2.96Å; K206-P433 HydrophobicContact CG-CB 3.93Å; K206-P433 HydrophobicContact CG-CG 3.93Å
207	N	96.8	Very high	95.9	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.027	13%	0.134	C	C	.	.	H	α-helix	trans	-58.9	-44.5	176.7	-133.2	70.6	0	0	0	111.2	L174 A178 E203 V204 A205 C209 E210 C211 K213	L174-N207 HydrophobicContact CD2-CB 4.26Å; L174-N207 PolarHBondContact O-OD1 3.07Å; A178-N207 WeakPolarHBondContact CB-OD1 3.24Å; E203-N207 PolarHBondContact O-N 3.18Å; V204-N207 VanDerWaalsContact O-CB 3.25Å; V204-N207 WeakPolarHBondContact O-CB 3.43Å; V204-N207 PolarHBondContact O-N 2.94Å; A205-N207 VanDerWaalsContact C-N 3.28Å; A205-N207 PolarHBondContact O-N 3.45Å; N207-C209 VanDerWaalsContact C-N 3.33Å; N207-C209 PolarHBondContact O-N 3.3Å; N207-E210 PolarHBondContact O-N 2.83Å; N207-E210 VanDerWaalsContact O-N 3.14Å; N207-C211 PolarHBondContact O-N 2.87Å; N207-C211 PolarHBondContact O-SG 2.93Å; N207-K213 CarbonylContact C-O 3.42Å; N207-K213 WeakPolarHBondContact CB-O 3.47Å; N207-K213 PolarHBondContact ND2-O 3.03Å; N207-K213 VanDerWaalsContact O-O 3.12Å
208	I	95.2	Very high	95.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-41.9	176.1	-64.8	168.4	0	0	0	110.7	V204 A205 K206 E210 S212 K213 P214 I216 L436 A453	V204-I208 HydrophobicContact CG1-CD1 4.43Å; V204-I208 WeakPolarHBondContact O-CG1 3.37Å; V204-I208 PolarHBondContact O-N 3.04Å; V204-I208 VanDerWaalsContact O-N 3.08Å; A205-I208 PolarHBondContact O-N 2.87Å; K206-I208 VanDerWaalsContact C-N 3.32Å; K206-I208 PolarHBondContact O-N 3.2Å; I208-E210 PolarHBondContact O-N 2.87Å; I208-S212 VanDerWaalsContact O-CA 3.23Å; I208-S212 WeakPolarHBondContact O-CA 3.46Å; I208-S212 PolarHBondContact O-N 2.88Å; I208-K213 VanDerWaalsContact CA-O 3.32Å; I208-K213 WeakPolarHBondContact CA-O 3.38Å; I208-K213 PolarHBondContact N-O 3.44Å; I208-P214 WeakPolarHBondContact CD1-O 3.22Å; I208-P214 VanDerWaalsContact CG1-O 3.27Å; I208-P214 WeakPolarHBondContact CG1-O 3.45Å; I208-I216 HydrophobicContact CD1-CD1 3.86Å; I208-I216 HydrophobicContact CD1-CG1 4.13Å; I208-L436 HydrophobicContact CB-CD2 3.63Å; I208-L436 HydrophobicContact CD1-CD2 4.08Å; I208-L436 HydrophobicContact CG1-CD2 4.43Å; I208-L436 HydrophobicContact CG2-CD2 3.61Å; I208-A453 HydrophobicContact CG2-CB 4.17Å
209	C	94	Very high	95.9	Very high	5 Å²	5	18.8 Å²	18.8	3%	0.034	9%	0.092	C	C	.	.	H	α-helix	trans	-58.3	-38.7	175.4	-65.7	0	0	0	0	112	A205 K206 N207 K430 N458	A205-C209 PolarHBondContact O-N 3.23Å; A205-C209 PolarHBondContact O-SG 3.38Å; K206-C209 WeakPolarHBondContact O-CB 3.11Å; K206-C209 PolarHBondContact O-N 3.01Å; K206-C209 VanDerWaalsContact O-N 3.15Å; N207-C209 VanDerWaalsContact C-N 3.33Å; N207-C209 PolarHBondContact O-N 3.3Å; C209-K430 HydrophobicContact CB-CG 4.19Å; C209-K430 WeakPolarHBondContact O-CE 3.41Å; C209-N458 PolarHBondContact O-ND2 3.21Å; C209-N458 PolarHBondContact O-OD1 2.84Å
210	E	93.4	Very high	95.9	Very high	87 Å²	87	16.3 Å²	16.3	41%	0.407	8%	0.081	S	C	.	.	H	α-helix	trans	-82.8	-36.4	-174.3	-169.1	58.4	-155.9	0	0	114	A178 K181 K206 N207 I208	A178-E210 HydrophobicContact CB-CB 4.49Å; A178-E210 HydrophobicContact CB-CG 4.24Å; K181-E210 WeakPolarHBondContact CE-OE1 3.24Å; K181-E210 IonicContact NZ-OE1 3.07Å; K181-E210 PolarHBondContact NZ-OE1 3.33Å; K206-E210 WeakPolarHBondContact O-CB 3.14Å; K206-E210 PolarHBondContact O-N 2.96Å; N207-E210 PolarHBondContact O-N 2.83Å; N207-E210 VanDerWaalsContact O-N 3.14Å; I208-E210 PolarHBondContact O-N 2.87Å
211	C	92	Very high	95.7	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.007	9%	0.094	C	C	.	.	H	α-helix	trans	-143.7	13.5	-169.6	70.2	0	0	0	0	115.2	K181 N207 K213 L460	K181-C211 HydrophobicContact CG-CB 4.16Å; N207-C211 PolarHBondContact O-N 2.87Å; N207-C211 PolarHBondContact O-SG 2.93Å; C211-K213 PolarHBondContact O-N 3.39Å; C211-K213 VanDerWaalsContact O-N 3.1Å; C211-L460 HydrophobicContact CB-CD1 4.07Å
212	S	92.1	Very high	95.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	57	23.5	-179.5	-49.5	0	0	0	0	113.5	I208 N458 L460 R462	I208-S212 VanDerWaalsContact O-CA 3.23Å; I208-S212 WeakPolarHBondContact O-CA 3.46Å; I208-S212 PolarHBondContact O-N 2.88Å; S212-N458 PolarHBondContact OG-ND2 2.79Å; S212-L460 VanDerWaalsContact CB-O 3.32Å; S212-L460 WeakPolarHBondContact CB-O 3.24Å; S212-L460 PolarHBondContact OG-O 3.08Å; S212-R462 PolarHBondContact O-NH1 3.22Å
213	K	92.5	Very high	95.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.091	C	C	.	.			trans	-138.3	149.7	175.7	-70.6	-171.2	-75.7	170.3	0	110.1	D177 Q182 P185 N207 I208 C211 M467	D177-K213 WeakPolarHBondContact OD1-CE 3.42Å; D177-K213 IonicContact OD1-NZ 2.72Å; D177-K213 PolarHBondContact OD1-NZ 3.11Å; D177-K213 WeakPolarHBondContact OD2-CB 3.45Å; D177-K213 VanDerWaalsContact OD2-CE 3.24Å; D177-K213 WeakPolarHBondContact OD2-CE 3.44Å; D177-K213 IonicContact OD2-NZ 3.25Å; D177-K213 PolarHBondContact OD2-NZ 3.21Å; Q182-K213 WeakPolarHBondContact O-CE 3.45Å; Q182-K213 PolarHBondContact O-NZ 3.06Å; P185-K213 PolarHBondContact O-NZ 3.06Å; P185-K213 VanDerWaalsContact O-NZ 3.09Å; N207-K213 CarbonylContact C-O 3.42Å; N207-K213 WeakPolarHBondContact CB-O 3.47Å; N207-K213 PolarHBondContact ND2-O 3.03Å; N207-K213 VanDerWaalsContact O-O 3.12Å; I208-K213 VanDerWaalsContact CA-O 3.32Å; I208-K213 WeakPolarHBondContact CA-O 3.38Å; I208-K213 PolarHBondContact N-O 3.44Å; C211-K213 PolarHBondContact O-N 3.39Å; C211-K213 VanDerWaalsContact O-N 3.1Å; K213-M467 HydrophobicContact CD-CE 3.77Å; K213-M467 HydrophobicContact CG-CE 3.35Å
214	P	94.5	Very high	95.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.			cis	-86.2	178	6	35.6	-38.7	0	0	0	113.9	L174 L187 F189 V204 I208	L174-P214 HydrophobicContact CD2-CG 4.46Å; L187-P214 HydrophobicContact CB-CB 3.93Å; L187-P214 HydrophobicContact CD2-CB 3.97Å; L187-P214 HydrophobicContact CG-CB 3.72Å; L187-P214 CarbonylContact O-C 3.12Å; L187-P214 VanDerWaalsContact O-CA 3.27Å; L187-P214 WeakPolarHBondContact O-CA 3.33Å; L187-P214 VanDerWaalsContact O-CB 3.29Å; L187-P214 WeakPolarHBondContact O-CB 3.48Å; F189-P214 HydrophobicContact CB-CB 4.2Å; F189-P214 HydrophobicContact CB-CG 3.74Å; V204-P214 HydrophobicContact CG1-CG 3.58Å; I208-P214 WeakPolarHBondContact CD1-O 3.22Å; I208-P214 VanDerWaalsContact CG1-O 3.27Å; I208-P214 WeakPolarHBondContact CG1-O 3.45Å
215	H	93.7	Very high	95.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	150.8	155.6	-179.8	62	0	0	0	109.5	L187 T188 F189 Y237 E450 F451 T452	L187-H215 PolarHBondContact O-N 3.26Å; T188-H215 CarbonylContact C-O 3.5Å; T188-H215 VanDerWaalsContact CA-O 3.31Å; T188-H215 WeakPolarHBondContact CA-O 3.27Å; F189-H215 PolarHBondContact N-O 3.18Å; H215-Y237 HydrophobicContact CB-CD1 3.93Å; H215-Y237 HydrophobicContact CB-CE1 3.55Å; H215-Y237 AromaticContact CD2-CD1 3.23Å; H215-Y237 WeakPolarHBondContact CD2-CD1 3.44Å; H215-Y237 AromaticContact CD2-CE1 3.8Å; H215-Y237 AromaticContact CD2-CG 3.93Å; H215-Y237 AromaticContact CE1-CD1 3.86Å; H215-Y237 AromaticContact CE1-CG 3.97Å; H215-Y237 AromaticContact CG-CD1 3.47Å; H215-Y237 VanDerWaalsContact CG-CD1 3.47Å; H215-Y237 AromaticContact CG-CE1 3.53Å; H215-Y237 AromaticContact ND1-CD1 3.9Å; H215-Y237 AromaticContact ND1-CE1 3.89Å; H215-Y237 AromaticContact NE2-CD1 3.44Å; H215-Y237 WeakPolarHBondContact NE2-CD1 3.49Å; H215-Y237 AromaticContact NE2-CG 3.64Å; H215-E450 IonicContact CD2-OE2 2.78Å; H215-E450 VanDerWaalsContact CE1-CB 3.49Å; H215-E450 WeakPolarHBondContact CE1-CB 3.46Å; H215-E450 IonicContact CE1-OE2 3.74Å; H215-E450 PolarHBondContact CE1-OE2 3.01Å; H215-E450 VanDerWaalsContact NE2-CB 3.31Å; H215-E450 WeakPolarHBondContact NE2-CB 3.44Å; H215-E450 IonicContact NE2-OE2 2.87Å; H215-E450 PolarHBondContact NE2-OE2 2.83Å; H215-F451 PolarHBondContact ND1-O 2.68Å; H215-F451 VanDerWaalsContact ND1-O 3.14Å; H215-T452 PolarHBondContact CE1-OG1 2.92Å; H215-T452 PolarHBondContact ND1-OG1 3.41Å
216	I	96.8	Very high	95.1	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.6	179.3	-49.9	178.8	0	0	0	109	F189 L201 V204 I208 C440 F444 E450 F451	F189-I216 HydrophobicContact CD1-CG2 4.24Å; F189-I216 CarbonylContact O-C 3.59Å; F189-I216 WeakPolarHBondContact O-CA 3.13Å; L201-I216 HydrophobicContact CD1-CD1 4.25Å; V204-I216 HydrophobicContact CG1-CD1 3.78Å; V204-I216 HydrophobicContact CG1-CG1 3.99Å; I208-I216 HydrophobicContact CD1-CD1 3.86Å; I208-I216 HydrophobicContact CD1-CG1 4.13Å; I216-C440 HydrophobicContact CD1-CB 4.29Å; I216-C440 VanDerWaalsContact CD1-SG 3.57Å; I216-F444 HydrophobicContact CB-CZ 4.1Å; I216-F444 HydrophobicContact CG2-CE2 3.75Å; I216-F444 HydrophobicContact CG2-CZ 3.59Å; I216-E450 CarbonylContact O-C 3.53Å; I216-E450 VanDerWaalsContact O-CA 3.26Å; I216-E450 WeakPolarHBondContact O-CA 3.45Å; I216-F451 HydrophobicContact CB-CB 4.48Å; I216-F451 HydrophobicContact CD1-CD1 4.29Å; I216-F451 PolarHBondContact N-O 3.32Å; I216-F451 PolarHBondContact O-N 2.76Å
217	A	97	Very high	94.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	140.1	177.4	0	0	0	0	0	110.8	T188 F189 Y191 G219 I233	T188-A217 HydrophobicContact CG2-CB 3.65Å; F189-A217 PolarHBondContact O-N 3.45Å; Y191-A217 PolarHBondContact N-O 2.95Å; A217-G219 PolarHBondContact O-N 3.17Å; A217-I233 HydrophobicContact CB-CD1 4.49Å; A217-I233 HydrophobicContact CB-CG1 4.13Å
218	N	96.9	Very high	94.4	Very high	17 Å²	17	33.1 Å²	33.1	9%	0.091	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	90.6	-178.7	-173.5	-22.7	0	0	0	110.9	P220 V221 H222 F444 M448 R449	N218-P220 WeakPolarHBondContact OD1-CD 3.3Å; N218-V221 HydrophobicContact CB-CB 4.33Å; N218-V221 HydrophobicContact CB-CG2 4.26Å; N218-V221 PolarHBondContact O-N 3.07Å; N218-H222 PolarHBondContact O-CD2 3.31Å; N218-H222 PolarHBondContact O-N 3.4Å; N218-F444 HydrophobicContact CB-CD1 3.99Å; N218-F444 HydrophobicContact CB-CD2 4.49Å; N218-F444 HydrophobicContact CB-CE1 3.9Å; N218-F444 HydrophobicContact CB-CE2 4.41Å; N218-F444 HydrophobicContact CB-CG 4.28Å; N218-F444 HydrophobicContact CB-CZ 4.11Å; N218-M448 PolarHBondContact ND2-O 2.78Å; N218-R449 VanDerWaalsContact CB-O 3.26Å; N218-R449 WeakPolarHBondContact CB-O 3.27Å; N218-R449 PolarHBondContact N-O 2.84Å
219	G	96.9	Very high	94.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-46.4	-55.6	-172.8	0	0	0	0	0	114.3	Y191 A217 V221 H222 D223	Y191-G219 WeakPolarHBondContact O-CA 3.49Å; Y191-G219 PolarHBondContact O-N 3.24Å; A217-G219 PolarHBondContact O-N 3.17Å; G219-V221 PolarHBondContact O-N 3.08Å; G219-V221 VanDerWaalsContact O-N 3.13Å; G219-H222 PolarHBondContact O-N 3.42Å; G219-D223 PolarHBondContact O-N 2.83Å
220	P	96.7	Very high	94.1	Very high	34 Å²	34	35 Å²	35	22%	0.221	19%	0.185	C	C	.	.	H	α-helix	trans	-56.6	-30.9	179.3	-28.5	34.2	0	0	0	114.8	Y191 D192 N218 K224	Y191-P220 WeakPolarHBondContact O-CD 3.41Å; D192-P220 HydrophobicContact CB-CG 4.45Å; N218-P220 WeakPolarHBondContact OD1-CD 3.3Å; P220-K224 VanDerWaalsContact O-CG 3.3Å; P220-K224 WeakPolarHBondContact O-CG 3.28Å; P220-K224 PolarHBondContact O-N 3.09Å
221	V	95.5	Very high	94.3	Very high	45 Å²	45	31.2 Å²	31.2	27%	0.273	17%	0.167	S	C	.	.	H	α-helix	trans	-75.2	-41.9	177.4	179.4	0	0	0	0	110.8	N218 G219 K224 R449	N218-V221 HydrophobicContact CB-CB 4.33Å; N218-V221 HydrophobicContact CB-CG2 4.26Å; N218-V221 PolarHBondContact O-N 3.07Å; G219-V221 PolarHBondContact O-N 3.08Å; G219-V221 VanDerWaalsContact O-N 3.13Å; V221-K224 PolarHBondContact O-N 3.34Å; V221-R449 HydrophobicContact CG1-CG 3.83Å
222	H	96.3	Very high	94.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67	-39.6	175.4	-68.5	-88	0	0	0	112.2	N218 G219 K224 I225 F226 Y231 S239 R449	N218-H222 PolarHBondContact O-CD2 3.31Å; N218-H222 PolarHBondContact O-N 3.4Å; G219-H222 PolarHBondContact O-N 3.42Å; H222-K224 VanDerWaalsContact C-N 3.26Å; H222-K224 PolarHBondContact O-N 3.05Å; H222-I225 PolarHBondContact O-N 3.1Å; H222-F226 PolarHBondContact O-N 3.17Å; H222-Y231 HydrophobicContact CB-CD1 4.02Å; H222-Y231 HydrophobicContact CB-CD2 4.04Å; H222-Y231 HydrophobicContact CB-CE1 3.5Å; H222-Y231 HydrophobicContact CB-CE2 3.51Å; H222-Y231 HydrophobicContact CB-CG 4.28Å; H222-Y231 WeakPolarHBondContact CB-OH 3.18Å; H222-Y231 AromaticContact CG-CE2 3.76Å; H222-Y231 AromaticContact CG-CZ 3.94Å; H222-S239 PolarHBondContact CE1-OG 3.01Å; H222-S239 PolarHBondContact ND1-OG 2.87Å; H222-R449 PolarHBondContact CE1-NH2 3.14Å; H222-R449 PolarHBondContact ND1-NH2 3.12Å; H222-R449 PolarHBondContact NE2-O 2.95Å
223	D	96.5	Very high	94.7	Very high	32 Å²	32	31.1 Å²	31.1	17%	0.171	17%	0.167	C	C	.	.	H	α-helix	trans	-58.7	-37.2	177	-78.4	-15.6	0	0	0	112.2	G219 I225 T227 K228 G229 Y231	G219-D223 PolarHBondContact O-N 2.83Å; D223-I225 VanDerWaalsContact C-N 3.27Å; D223-I225 PolarHBondContact O-N 2.87Å; D223-T227 CarbonylContact O-C 2.92Å; D223-T227 WeakPolarHBondContact O-CA 3.32Å; D223-T227 PolarHBondContact O-N 2.98Å; D223-K228 VanDerWaalsContact OD1-CA 3.3Å; D223-K228 WeakPolarHBondContact OD1-CA 3.36Å; D223-G229 PolarHBondContact OD1-N 3.26Å; D223-Y231 WeakPolarHBondContact OD1-CE1 3.49Å
224	K	94.7	Very high	94.7	Very high	179 Å²	179	31.1 Å²	31.1	78%	0.778	17%	0.167	S	C	*	.	H	α-helix	trans	-65.2	-29.7	174.8	-73.9	171.3	-173.9	177.8	0	113.1	P220 V221 H222	P220-K224 VanDerWaalsContact O-CG 3.3Å; P220-K224 WeakPolarHBondContact O-CG 3.28Å; P220-K224 PolarHBondContact O-N 3.09Å; V221-K224 PolarHBondContact O-N 3.34Å; H222-K224 VanDerWaalsContact C-N 3.26Å; H222-K224 PolarHBondContact O-N 3.05Å
225	I	93.5	Very high	94	Very high	36 Å²	36	31.1 Å²	31.1	19%	0.185	17%	0.167	C	C	.	.	H	α-helix	trans	-83.2	-47.4	-179.1	-63.3	164.9	0	0	0	110.5	H222 D223 M374 Y416	H222-I225 PolarHBondContact O-N 3.1Å; D223-I225 VanDerWaalsContact C-N 3.27Å; D223-I225 PolarHBondContact O-N 2.87Å; I225-M374 HydrophobicContact CG2-CE 4.28Å; I225-Y416 HydrophobicContact CD1-CD1 3.51Å; I225-Y416 HydrophobicContact CD1-CE1 4.01Å; I225-Y416 HydrophobicContact CD1-CG 4.04Å; I225-Y416 HydrophobicContact CG1-CD1 4.1Å; I225-Y416 HydrophobicContact CG1-CE1 4.28Å; I225-Y416 HydrophobicContact CG1-CG 4.41Å; I225-Y416 HydrophobicContact CG2-CD2 4.45Å; I225-Y416 HydrophobicContact CG2-CG 4.22Å
226	F	94.1	Very high	92.9	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-106.3	-7.2	-166.3	-68.1	-79.4	0	0	0	115.7	H222 Y231 S239 P241 W369 M374	H222-F226 PolarHBondContact O-N 3.17Å; F226-Y231 HydrophobicContact CB-CD1 4.14Å; F226-Y231 HydrophobicContact CB-CG 4.31Å; F226-Y231 HydrophobicContact CD2-CD1 4.39Å; F226-Y231 HydrophobicContact CD2-CG 4.04Å; F226-Y231 HydrophobicContact CG-CG 4.34Å; F226-S239 VanDerWaalsContact CZ-O 3.29Å; F226-S239 WeakPolarHBondContact CZ-O 3.36Å; F226-P241 HydrophobicContact CD1-CB 4.47Å; F226-P241 HydrophobicContact CD1-CG 4.06Å; F226-P241 HydrophobicContact CE1-CG 3.94Å; F226-W369 HydrophobicContact CD1-CE3 4.5Å; F226-W369 HydrophobicContact CD1-CH2 4.05Å; F226-W369 AromaticContact CD1-CZ3 3.78Å; F226-W369 HydrophobicContact CD1-CZ3 3.78Å; F226-W369 HydrophobicContact CE1-CZ3 4.08Å; F226-M374 HydrophobicContact CE1-CE 3.72Å; F226-M374 HydrophobicContact CE1-SD 3.87Å; F226-M374 HydrophobicContact CE2-CE 4.4Å; F226-M374 HydrophobicContact CZ-CE 3.43Å; F226-M374 VanDerWaalsContact CZ-CE 3.43Å; F226-M374 HydrophobicContact CZ-SD 4.1Å
227	T	89.5	Confident	92.1	Very high	94 Å²	94	31.4 Å²	31.4	58%	0.577	17%	0.169	S	C	*	.			trans	78.3	151.7	-157	73	0	0	0	0	113.1	D223 G229 G230	D223-T227 CarbonylContact O-C 2.92Å; D223-T227 WeakPolarHBondContact O-CA 3.32Å; D223-T227 PolarHBondContact O-N 2.98Å; T227-G229 PolarHBondContact O-N 3.21Å; T227-G230 PolarHBondContact O-N 3.29Å
228	K	91	Very high	91.8	Very high	162 Å²	162	31.4 Å²	31.4	70%	0.704	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	118.4	-171.2	-175.5	166.6	-172.2	170.1	0	112	D223 G230	D223-K228 VanDerWaalsContact OD1-CA 3.3Å; D223-K228 WeakPolarHBondContact OD1-CA 3.36Å; K228-G230 PolarHBondContact O-N 3.24Å
229	G	88	Confident	91.7	Very high	37 Å²	37	30.6 Å²	30.6	38%	0.381	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	10	-177	0	0	0	0	0	114.9	D223 T227 Y231	D223-G229 PolarHBondContact OD1-N 3.26Å; T227-G229 PolarHBondContact O-N 3.21Å; G229-Y231 PolarHBondContact O-N 3.14Å
230	G	95	Very high	91.7	Very high	7 Å²	7	30.5 Å²	30.5	7%	0.072	16%	0.164	C	C	.	.			trans	-83	18.3	-175.6	0	0	0	0	0	114.9	T227 K228 L242 R312	T227-G230 PolarHBondContact O-N 3.29Å; K228-G230 PolarHBondContact O-N 3.24Å; G230-L242 PolarHBondContact O-N 3.05Å; G230-R312 PolarHBondContact O-NH2 3.49Å
231	Y	97.1	Very high	91.7	Very high	7 Å²	7	28.9 Å²	28.9	3%	0.027	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	164.1	-171.9	69.1	-81.3	0	0	0	112.4	I190 H222 D223 F226 G229 I233 L240	I190-Y231 HydrophobicContact CD1-CE2 4.36Å; I190-Y231 WeakPolarHBondContact CG2-OH 3.27Å; H222-Y231 HydrophobicContact CB-CD1 4.02Å; H222-Y231 HydrophobicContact CB-CD2 4.04Å; H222-Y231 HydrophobicContact CB-CE1 3.5Å; H222-Y231 HydrophobicContact CB-CE2 3.51Å; H222-Y231 HydrophobicContact CB-CG 4.28Å; H222-Y231 WeakPolarHBondContact CB-OH 3.18Å; H222-Y231 AromaticContact CG-CE2 3.76Å; H222-Y231 AromaticContact CG-CZ 3.94Å; D223-Y231 WeakPolarHBondContact OD1-CE1 3.49Å; F226-Y231 HydrophobicContact CB-CD1 4.14Å; F226-Y231 HydrophobicContact CB-CG 4.31Å; F226-Y231 HydrophobicContact CD2-CD1 4.39Å; F226-Y231 HydrophobicContact CD2-CG 4.04Å; F226-Y231 HydrophobicContact CG-CG 4.34Å; G229-Y231 PolarHBondContact O-N 3.14Å; Y231-I233 HydrophobicContact CD2-CD1 3.85Å; Y231-I233 HydrophobicContact CD2-CG1 4.34Å; Y231-I233 HydrophobicContact CE2-CD1 3.81Å; Y231-I233 HydrophobicContact CE2-CG1 4.06Å; Y231-L240 CarbonylContact C-O 3.43Å; Y231-L240 WeakPolarHBondContact CA-O 3.17Å; Y231-L240 WeakPolarHBondContact CB-O 3.25Å
232	G	96.8	Very high	91.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.9	164.4	0	0	0	0	0	110.9	S239 L240	G232-S239 WeakPolarHBondContact O-CA 3.25Å; G232-L240 PolarHBondContact N-O 3.3Å; G232-L240 PolarHBondContact O-N 3.15Å
233	I	95.5	Very high	91.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.5	169	-50.7	-59.1	0	0	0	108.3	N161 T188 A217 Y231 N238 S239	N161-I233 PolarHBondContact ND2-O 2.7Å; N161-I233 PolarHBondContact OD1-N 2.97Å; N161-I233 PolarHBondContact OD1-O 3.15Å; T188-I233 HydrophobicContact CG2-CB 4.06Å; T188-I233 HydrophobicContact CG2-CG1 4.09Å; T188-I233 HydrophobicContact CG2-CG2 4.08Å; T188-I233 WeakPolarHBondContact OG1-CG2 3.24Å; A217-I233 HydrophobicContact CB-CD1 4.49Å; A217-I233 HydrophobicContact CB-CG1 4.13Å; Y231-I233 HydrophobicContact CD2-CD1 3.85Å; Y231-I233 HydrophobicContact CD2-CG1 4.34Å; Y231-I233 HydrophobicContact CE2-CD1 3.81Å; Y231-I233 HydrophobicContact CE2-CG1 4.06Å; I233-N238 CarbonylContact C-O 3.22Å; I233-N238 VanDerWaalsContact CA-O 3.31Å; I233-N238 WeakPolarHBondContact CA-O 3.35Å; I233-S239 VanDerWaalsContact CD1-OG 3.31Å; I233-S239 WeakPolarHBondContact CD1-OG 3.36Å
234	V	92.1	Very high	91.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-176.5	-179.9	-53.5	0	0	0	0	111.2	Y71 L73 Y118 Y237 N238 L240	Y71-V234 HydrophobicContact CD2-CG2 3.66Å; Y71-V234 HydrophobicContact CE2-CG2 4Å; Y71-V234 HydrophobicContact CG-CG2 4.32Å; L73-V234 HydrophobicContact CD1-CG1 3.73Å; L73-V234 HydrophobicContact CD2-CG1 4.03Å; L73-V234 HydrophobicContact CG-CG1 3.9Å; Y118-V234 HydrophobicContact CD2-CG1 3.8Å; Y118-V234 HydrophobicContact CG-CG1 4.02Å; V234-Y237 CarbonylContact O-C 3.55Å; V234-Y237 WeakPolarHBondContact O-CA 3.48Å; V234-Y237 PolarHBondContact O-N 2.96Å; V234-N238 HydrophobicContact CG2-CB 3.64Å; V234-N238 PolarHBondContact N-O 3.21Å; V234-N238 PolarHBondContact O-N 2.9Å; V234-N238 VanDerWaalsContact O-N 3.14Å; V234-L240 HydrophobicContact CG2-CD1 3.92Å
235	S	80.2	Confident	92	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-57.4	156.4	-179.6	-179.3	0	0	0	0	113.7	F157 H159 Y237 N238	F157-S235 VanDerWaalsContact CA-CB 3.41Å; F157-S235 WeakPolarHBondContact CA-OG 3.3Å; F157-S235 WeakPolarHBondContact CD1-OG 3.47Å; F157-S235 WeakPolarHBondContact O-CB 3.43Å; H159-S235 PolarHBondContact ND1-N 3.3Å; S235-Y237 PolarHBondContact O-N 2.99Å; S235-N238 PolarHBondContact O-N 3.4Å; S235-N238 PolarHBondContact O-ND2 3.18Å
236	C	71.4	Confident	92.2	Very high	7 Å²	7	17.2 Å²	17.2	5%	0.047	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	55.9	19.5	-160.8	-60.5	0	0	0	0	112.7	N238 S379	C236-N238 WeakPolarHBondContact CB-ND2 3.49Å; C236-N238 PolarHBondContact O-N 3.26Å; C236-S379 WeakPolarHBondContact CB-OG 3.41Å; C236-S379 PolarHBondContact SG-OG 3.25Å
237	Y	79.7	Confident	92.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	55.1	36	-178.7	-45.1	-72.4	0	0	0	113.6	H159 H215 V234 S235 S239 S420 E450 R462	H159-Y237 AromaticContact CE1-CD1 3.92Å; H159-Y237 AromaticContact CE1-CE1 3.81Å; H215-Y237 HydrophobicContact CB-CD1 3.93Å; H215-Y237 HydrophobicContact CB-CE1 3.55Å; H215-Y237 AromaticContact CD2-CD1 3.23Å; H215-Y237 WeakPolarHBondContact CD2-CD1 3.44Å; H215-Y237 AromaticContact CD2-CE1 3.8Å; H215-Y237 AromaticContact CD2-CG 3.93Å; H215-Y237 AromaticContact CE1-CD1 3.86Å; H215-Y237 AromaticContact CE1-CG 3.97Å; H215-Y237 AromaticContact CG-CD1 3.47Å; H215-Y237 VanDerWaalsContact CG-CD1 3.47Å; H215-Y237 AromaticContact CG-CE1 3.53Å; H215-Y237 AromaticContact ND1-CD1 3.9Å; H215-Y237 AromaticContact ND1-CE1 3.89Å; H215-Y237 AromaticContact NE2-CD1 3.44Å; H215-Y237 WeakPolarHBondContact NE2-CD1 3.49Å; H215-Y237 AromaticContact NE2-CG 3.64Å; V234-Y237 CarbonylContact O-C 3.55Å; V234-Y237 WeakPolarHBondContact O-CA 3.48Å; V234-Y237 PolarHBondContact O-N 2.96Å; S235-Y237 PolarHBondContact O-N 2.99Å; Y237-S239 PolarHBondContact O-N 3.43Å; Y237-S420 WeakPolarHBondContact CD2-OG 3.42Å; Y237-E450 WeakPolarHBondContact CB-OE2 3.48Å; Y237-R462 WeakPolarHBondContact OH-CD 3.43Å; Y237-R462 PolarHBondContact OH-NE 3.45Å
238	N	89.7	Confident	92.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	129.6	177.9	-69.2	-63.3	0	0	0	110.2	Y71 I233 V234 S235 C236 L240 M316 H376 S417	Y71-N238 WeakPolarHBondContact CE2-ND2 3.39Å; I233-N238 CarbonylContact C-O 3.22Å; I233-N238 VanDerWaalsContact CA-O 3.31Å; I233-N238 WeakPolarHBondContact CA-O 3.35Å; V234-N238 HydrophobicContact CG2-CB 3.64Å; V234-N238 PolarHBondContact N-O 3.21Å; V234-N238 PolarHBondContact O-N 2.9Å; V234-N238 VanDerWaalsContact O-N 3.14Å; S235-N238 PolarHBondContact O-N 3.4Å; S235-N238 PolarHBondContact O-ND2 3.18Å; C236-N238 WeakPolarHBondContact CB-ND2 3.49Å; C236-N238 PolarHBondContact O-N 3.26Å; N238-L240 HydrophobicContact CB-CD1 4.26Å; N238-L240 HydrophobicContact CB-CG 4.26Å; N238-M316 HydrophobicContact CB-SD 4.22Å; N238-M316 PolarHBondContact OD1-SD 3.04Å; N238-H376 PolarHBondContact OD1-CE1 3.25Å; N238-H376 PolarHBondContact OD1-ND1 3.09Å; N238-H376 PolarHBondContact OD1-NE2 3.28Å; N238-S417 CarbonylContact C-O 3.52Å; N238-S417 WeakPolarHBondContact CA-O 3.17Å; N238-S417 WeakPolarHBondContact CB-O 3.2Å; N238-S417 PolarHBondContact OD1-O 2.87Å
239	S	95.6	Very high	92.9	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.2	169.8	-45.1	0	0	0	0	108.7	H222 F226 G232 I233 Y237 S417 R449	H222-S239 PolarHBondContact CE1-OG 3.01Å; H222-S239 PolarHBondContact ND1-OG 2.87Å; F226-S239 VanDerWaalsContact CZ-O 3.29Å; F226-S239 WeakPolarHBondContact CZ-O 3.36Å; G232-S239 WeakPolarHBondContact O-CA 3.25Å; I233-S239 VanDerWaalsContact CD1-OG 3.31Å; I233-S239 WeakPolarHBondContact CD1-OG 3.36Å; Y237-S239 PolarHBondContact O-N 3.43Å; S239-S417 PolarHBondContact N-O 3.36Å; S239-R449 PolarHBondContact OG-NH2 3.21Å
240	L	97.1	Very high	93.3	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.1	-175.1	-65.5	171	0	0	0	111	Y71 L73 Y231 G232 V234 N238 L242 V314 M316	Y71-L240 HydrophobicContact CD2-CD1 3.85Å; Y71-L240 HydrophobicContact CG-CD1 4.47Å; L73-L240 HydrophobicContact CD1-CB 4.22Å; L73-L240 HydrophobicContact CD1-CD1 4.07Å; L73-L240 HydrophobicContact CD2-CB 3.83Å; Y231-L240 CarbonylContact C-O 3.43Å; Y231-L240 WeakPolarHBondContact CA-O 3.17Å; Y231-L240 WeakPolarHBondContact CB-O 3.25Å; G232-L240 PolarHBondContact N-O 3.3Å; G232-L240 PolarHBondContact O-N 3.15Å; V234-L240 HydrophobicContact CG2-CD1 3.92Å; N238-L240 HydrophobicContact CB-CD1 4.26Å; N238-L240 HydrophobicContact CB-CG 4.26Å; L240-L242 PolarHBondContact O-N 3.24Å; L240-V314 HydrophobicContact CD2-CG2 3.43Å; L240-V314 VanDerWaalsContact CD2-CG2 3.43Å; L240-M316 HydrophobicContact CD2-CG 4.27Å; L240-M316 HydrophobicContact CD2-SD 3.91Å
241	P	97.3	Very high	93.4	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.019	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	133.5	177.5	-18.7	31.4	0	0	0	111.4	F226 G244 R312 V314 W369	F226-P241 HydrophobicContact CD1-CB 4.47Å; F226-P241 HydrophobicContact CD1-CG 4.06Å; F226-P241 HydrophobicContact CE1-CG 3.94Å; P241-G244 CarbonylContact O-C 3.57Å; P241-G244 PolarHBondContact O-N 3.4Å; P241-R312 HydrophobicContact CB-CB 4.27Å; P241-R312 WeakPolarHBondContact CB-O 3.1Å; P241-R312 WeakPolarHBondContact CG-O 3.4Å; P241-V314 HydrophobicContact CG-CG1 4.27Å; P241-W369 HydrophobicContact CG-CB 4.43Å; P241-W369 HydrophobicContact CG-CD2 4.04Å; P241-W369 HydrophobicContact CG-CE3 3.94Å; P241-W369 HydrophobicContact CG-CG 4.27Å
242	L	97.4	Very high	93.5	Very high	35 Å²	35	2.9 Å²	2.9	18%	0.183	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	155.5	172.5	-176.3	63.4	0	0	0	110.5	Y118 G230 L240 G244 R312	Y118-L242 HydrophobicContact CE1-CD1 3.79Å; G230-L242 PolarHBondContact O-N 3.05Å; L240-L242 PolarHBondContact O-N 3.24Å; L242-G244 PolarHBondContact O-N 2.69Å; L242-R312 WeakPolarHBondContact O-CD 3.45Å; L242-R312 PolarHBondContact O-NE 3.13Å; L242-R312 PolarHBondContact O-NH1 3.41Å; L242-R312 PolarHBondContact O-NH2 3.33Å
243	A	97.7	Very high	93.5	Very high	11 Å²	11	4 Å²	4	9%	0.091	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	30	-172.2	0	0	0	0	0	112.5	L73 D75 I308 N309	L73-A243 CarbonylContact O-C 3.5Å; L73-A243 WeakPolarHBondContact O-CA 3.4Å; L73-A243 PolarHBondContact O-N 2.93Å; D75-A243 HydrophobicContact CB-CB 4.12Å; A243-I308 CarbonylContact O-C 3.46Å; A243-I308 WeakPolarHBondContact O-CA 3.28Å; A243-N309 PolarHBondContact O-N 2.97Å
244	G	97.4	Very high	93.6	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	-136.8	-171	0	0	0	0	0	109.8	L73 P241 L242 R312 F313	L73-G244 PolarHBondContact N-O 2.57Å; L73-G244 PolarHBondContact O-N 3.29Å; P241-G244 CarbonylContact O-C 3.57Å; P241-G244 PolarHBondContact O-N 3.4Å; L242-G244 PolarHBondContact O-N 2.69Å; G244-R312 WeakPolarHBondContact CA-O 3.05Å; G244-F313 VanDerWaalsContact O-CZ 3.3Å; G244-F313 WeakPolarHBondContact O-CZ 3.36Å
245	G	97	Very high	93.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.1	-152.5	171.5	0	0	0	0	0	114.5	Y71 R312 F313 V314	Y71-G245 CarbonylContact O-C 3.51Å; Y71-G245 WeakPolarHBondContact O-CA 3.26Å; G245-R312 PolarHBondContact N-O 2.79Å; G245-F313 CarbonylContact O-C 3.56Å; G245-F313 VanDerWaalsContact O-CA 3.3Å; G245-F313 WeakPolarHBondContact O-CA 3.14Å; G245-V314 WeakPolarHBondContact O-CG2 3.38Å; G245-V314 PolarHBondContact O-N 3.23Å
246	G	96.9	Very high	94.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.8	-179.4	0	0	0	0	0	110.3	P69 R70 Y71 V314	P69-G246 WeakPolarHBondContact CB-O 3.2Å; R70-G246 WeakPolarHBondContact CB-O 2.98Å; R70-G246 PolarHBondContact N-O 3.11Å; Y71-G246 PolarHBondContact N-O 3.27Å; Y71-G246 PolarHBondContact O-N 3.21Å; G246-V314 CarbonylContact C-O 3.5Å; G246-V314 VanDerWaalsContact CA-O 3.29Å; G246-V314 WeakPolarHBondContact CA-O 3.21Å
247	S	97	Very high	96	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.014	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	-50.9	178.8	-53.5	0	0	0	0	111.1	R70 Y291 F313 V314	R70-S247 PolarHBondContact N-O 3.21Å; R70-S247 VanDerWaalsContact N-O 3.12Å; S247-Y291 PolarHBondContact OG-OH 3.03Å; S247-F313 WeakPolarHBondContact OG-CB 3.45Å; S247-V314 PolarHBondContact N-O 2.87Å
248	T	96.3	Very high	96.8	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.012	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	159.1	-179.2	-173.2	0	0	0	0	109.3	E62 R286 P315 M316	E62-T248 WeakPolarHBondContact OE2-CA 3.46Å; E62-T248 WeakPolarHBondContact OE2-CB 3.32Å; E62-T248 PolarHBondContact OE2-OG1 2.62Å; T248-R286 HydrophobicContact CG2-CB 4.41Å; T248-R286 PolarHBondContact OG1-NE 3.26Å; T248-P315 HydrophobicContact CG2-CB 4.12Å; T248-M316 PolarHBondContact O-N 3.16Å
249	L	95.9	Very high	97.2	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.01	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	117.6	168.3	174.8	57.8	0	0	0	110	D59 M60 E62 M316 H376 Q378	D59-L249 CarbonylContact C-O 3.54Å; M60-L249 HydrophobicContact CG-CB 4.13Å; M60-L249 HydrophobicContact CG-CD2 3.88Å; M60-L249 HydrophobicContact CG-CG 3.71Å; M60-L249 WeakPolarHBondContact CG-O 3.38Å; M60-L249 HydrophobicContact SD-CD2 4.4Å; E62-L249 PolarHBondContact OE1-N 3.43Å; E62-L249 PolarHBondContact OE2-N 2.89Å; L249-M316 HydrophobicContact CB-CB 4.32Å; L249-M316 HydrophobicContact CB-CE 4.12Å; L249-M316 HydrophobicContact CD1-CB 3.57Å; L249-M316 HydrophobicContact CG-CB 4.49Å; L249-H376 HydrophobicContact CD1-CB 4.43Å; L249-Q378 HydrophobicContact CD2-CG 3.9Å
250	V	96.8	Very high	97.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.4	171.5	-174.6	0	0	0	0	107.2	I57 C58 Q279 I282 I283 M316 G318	I57-V250 HydrophobicContact CG2-CG1 3.3Å; C58-V250 CarbonylContact O-C 3.55Å; C58-V250 WeakPolarHBondContact O-CA 3.37Å; V250-Q279 HydrophobicContact CB-CG 4.13Å; V250-Q279 HydrophobicContact CG1-CG 3.83Å; V250-Q279 PolarHBondContact O-NE2 2.93Å; V250-I282 HydrophobicContact CG1-CB 4.36Å; V250-I282 HydrophobicContact CG1-CG2 4.06Å; V250-I282 HydrophobicContact CG2-CG2 3.95Å; V250-I283 HydrophobicContact CB-CD1 4.36Å; V250-I283 HydrophobicContact CB-CG1 3.87Å; V250-I283 HydrophobicContact CG2-CG1 3.7Å; V250-M316 PolarHBondContact N-O 2.96Å; V250-G318 WeakPolarHBondContact O-CA 3.47Å; V250-G318 PolarHBondContact O-N 3.11Å
251	R	96.9	Very high	97.4	Very high	1 Å²	1	15.6 Å²	15.6	0%	0.004	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	146.1	-173.9	67.3	-179.2	176.8	150.4	15.3	114.4	I57 C58 M60 G318 Y320 I381 D384	I57-R251 WeakPolarHBondContact CA-O 3.49Å; C58-R251 HydrophobicContact CB-CG 3.97Å; C58-R251 PolarHBondContact N-O 3.46Å; C58-R251 PolarHBondContact O-N 3.11Å; M60-R251 WeakPolarHBondContact SD-CD 3.44Å; M60-R251 HydrophobicContact SD-CG 4.15Å; M60-R251 PolarHBondContact SD-NE 3.27Å; R251-G318 VanDerWaalsContact CA-O 3.24Å; R251-G318 WeakPolarHBondContact CA-O 3.45Å; R251-Y320 HydrophobicContact CG-CD1 4.13Å; R251-Y320 HydrophobicContact CG-CE1 4.3Å; R251-I381 VanDerWaalsContact NH2-CG1 3.27Å; R251-D384 IonicContact CZ-OD1 3.8Å; R251-D384 IonicContact CZ-OD2 2.7Å; R251-D384 IonicContact NH1-OD1 2.67Å; R251-D384 IonicContact NH1-OD2 3.74Å; R251-D384 PolarHBondContact NH1-OD2 3.5Å; R251-D384 IonicContact NH2-OD1 4Å; R251-D384 PolarHBondContact NH2-OD1 3.19Å; R251-D384 IonicContact NH2-OD2 3.81Å; R251-D384 PolarHBondContact NH2-OD2 2.8Å
252	L	98.3	Very high	97.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	134.6	173	-61.1	179.4	0	0	0	111.2	I57 L254 I257 L272 Q279 F317 G318 M319 Y320 L356	I57-L252 HydrophobicContact CD1-CD2 4.22Å; I57-L252 HydrophobicContact CG1-CD2 3.97Å; L252-L254 HydrophobicContact CB-CD2 4.34Å; L252-L254 HydrophobicContact CD1-CD2 4.47Å; L252-L254 PolarHBondContact O-N 3.04Å; L252-I257 HydrophobicContact CB-CD1 4.07Å; L252-I257 HydrophobicContact CD1-CD1 4.18Å; L252-I257 HydrophobicContact CD2-CD1 4.16Å; L252-I257 HydrophobicContact CG-CD1 4.37Å; L252-L272 HydrophobicContact CD1-CD1 3.96Å; L252-Q279 HydrophobicContact CD2-CB 4.01Å; L252-F317 HydrophobicContact CD1-CE1 3.88Å; L252-F317 HydrophobicContact CD1-CZ 4.04Å; L252-F317 HydrophobicContact CG-CE1 4.26Å; L252-F317 HydrophobicContact CG-CZ 4.41Å; L252-G318 PolarHBondContact N-O 3.19Å; L252-M319 HydrophobicContact CB-CB 4.44Å; L252-M319 WeakPolarHBondContact O-CA 3.44Å; L252-Y320 WeakPolarHBondContact O-CD1 3.45Å; L252-Y320 PolarHBondContact O-N 3.42Å; L252-L356 HydrophobicContact CD1-CD2 3.95Å
253	N	97	Very high	97.4	Very high	23 Å²	23	23.1 Å²	23.1	12%	0.123	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	94.8	162.1	-177.5	-14.3	0	0	0	109.2	V56 K255 A256 I257 Y320	V56-N253 WeakPolarHBondContact O-CB 3.45Å; V56-N253 PolarHBondContact O-N 3.45Å; N253-K255 VanDerWaalsContact C-N 3.25Å; N253-K255 PolarHBondContact O-N 2.81Å; N253-K255 WeakPolarHBondContact OD1-CB 3.38Å; N253-K255 PolarHBondContact OD1-N 3.05Å; N253-A256 HydrophobicContact CB-CB 3.9Å; N253-A256 VanDerWaalsContact CG-CB 3.48Å; N253-A256 PolarHBondContact O-N 3.4Å; N253-A256 VanDerWaalsContact O-N 3.16Å; N253-A256 PolarHBondContact OD1-N 2.81Å; N253-A256 VanDerWaalsContact OD1-N 3.1Å; N253-I257 WeakPolarHBondContact O-CG1 3.42Å; N253-I257 PolarHBondContact O-N 3.17Å; N253-I257 VanDerWaalsContact O-N 3.12Å; N253-Y320 VanDerWaalsContact CA-CE1 3.47Å; N253-Y320 HydrophobicContact CB-CE1 3.61Å; N253-Y320 WeakPolarHBondContact CB-OH 3.32Å; N253-Y320 VanDerWaalsContact CG-OH 3.28Å; N253-Y320 PolarHBondContact ND2-OH 2.72Å; N253-Y320 VanDerWaalsContact ND2-OH 3.09Å
254	L	98.5	Very high	97.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.4	-31.9	-175.4	-66.6	176.4	0	0	0	112.7	L252 I257 A258 F267 L272 M319 Y320 L322 A325 I352	L252-L254 HydrophobicContact CB-CD2 4.34Å; L252-L254 HydrophobicContact CD1-CD2 4.47Å; L252-L254 PolarHBondContact O-N 3.04Å; L254-I257 HydrophobicContact CD2-CD1 4.34Å; L254-I257 PolarHBondContact O-N 2.76Å; L254-A258 WeakPolarHBondContact O-CB 3.46Å; L254-A258 PolarHBondContact O-N 3.38Å; L254-F267 HydrophobicContact CD2-CZ 4.5Å; L254-L272 HydrophobicContact CD2-CD1 3.92Å; L254-M319 HydrophobicContact CD1-CB 4.15Å; L254-M319 HydrophobicContact CD1-CE 3.28Å; L254-M319 HydrophobicContact CD1-CG 4.45Å; L254-M319 HydrophobicContact CD1-SD 4.15Å; L254-M319 HydrophobicContact CG-CB 4.27Å; L254-Y320 WeakPolarHBondContact CB-O 3.45Å; L254-Y320 WeakPolarHBondContact CG-O 3.4Å; L254-Y320 PolarHBondContact N-O 3.4Å; L254-L322 HydrophobicContact CD1-CB 4.26Å; L254-L322 HydrophobicContact CD1-CD1 3.87Å; L254-A325 HydrophobicContact CB-CB 3.66Å; L254-A325 WeakPolarHBondContact O-CB 3.25Å; L254-I352 HydrophobicContact CD1-CG2 4.04Å; L254-I352 HydrophobicContact CD2-CG2 4.42Å
255	K	97.3	Very high	97.3	Very high	52 Å²	52	28.4 Å²	28.4	23%	0.226	14%	0.138	C	C	.	.	H	α-helix	trans	-60.7	-49.2	174.1	178.2	-172.2	172.7	-175.1	0	110.7	N253 I257 A258 E259 E324 G386 T387	N253-K255 VanDerWaalsContact C-N 3.25Å; N253-K255 PolarHBondContact O-N 2.81Å; N253-K255 WeakPolarHBondContact OD1-CB 3.38Å; N253-K255 PolarHBondContact OD1-N 3.05Å; K255-I257 VanDerWaalsContact C-N 3.25Å; K255-I257 PolarHBondContact O-N 3.48Å; K255-A258 PolarHBondContact O-N 3.06Å; K255-E259 WeakPolarHBondContact CE-OE1 3.37Å; K255-E259 WeakPolarHBondContact O-CG 3.21Å; K255-E259 PolarHBondContact O-N 3.32Å; K255-E324 HydrophobicContact CB-CB 3.95Å; K255-E324 HydrophobicContact CD-CB 3.9Å; K255-E324 HydrophobicContact CD-CG 4.26Å; K255-E324 HydrophobicContact CG-CB 3.88Å; K255-G386 PolarHBondContact NZ-O 3.21Å; K255-T387 HydrophobicContact CB-CG2 4.02Å; K255-T387 HydrophobicContact CD-CG2 3.55Å; K255-T387 HydrophobicContact CG-CG2 4.46Å
256	A	96.8	Very high	97.4	Very high	7 Å²	7	29.2 Å²	29.2	6%	0.058	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-32.6	179.8	0	0	0	0	0	112.7	V56 N253 R260	V56-A256 HydrophobicContact CG1-CB 4.47Å; V56-A256 HydrophobicContact CG2-CB 4.43Å; N253-A256 HydrophobicContact CB-CB 3.9Å; N253-A256 VanDerWaalsContact CG-CB 3.48Å; N253-A256 PolarHBondContact O-N 3.4Å; N253-A256 VanDerWaalsContact O-N 3.16Å; N253-A256 PolarHBondContact OD1-N 2.81Å; N253-A256 VanDerWaalsContact OD1-N 3.1Å; A256-R260 WeakPolarHBondContact O-CD 3.39Å; A256-R260 WeakPolarHBondContact O-CG 3.36Å; A256-R260 PolarHBondContact O-N 3.04Å; A256-R260 PolarHBondContact O-NH1 3.25Å
257	I	98.6	Very high	97.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67.9	-51	172.7	-61.6	172.8	0	0	0	109.7	V56 L252 N253 L254 K255 E259 R260 S261 F267 L272 Y275	V56-I257 HydrophobicContact CG1-CD1 4.29Å; V56-I257 HydrophobicContact CG1-CG1 3.52Å; L252-I257 HydrophobicContact CB-CD1 4.07Å; L252-I257 HydrophobicContact CD1-CD1 4.18Å; L252-I257 HydrophobicContact CD2-CD1 4.16Å; L252-I257 HydrophobicContact CG-CD1 4.37Å; N253-I257 WeakPolarHBondContact O-CG1 3.42Å; N253-I257 PolarHBondContact O-N 3.17Å; N253-I257 VanDerWaalsContact O-N 3.12Å; L254-I257 HydrophobicContact CD2-CD1 4.34Å; L254-I257 PolarHBondContact O-N 2.76Å; K255-I257 VanDerWaalsContact C-N 3.25Å; K255-I257 PolarHBondContact O-N 3.48Å; I257-E259 VanDerWaalsContact C-N 3.27Å; I257-E259 PolarHBondContact O-N 2.91Å; I257-R260 CarbonylContact O-C 3.59Å; I257-R260 WeakPolarHBondContact O-CA 3.44Å; I257-R260 WeakPolarHBondContact O-CB 3.35Å; I257-R260 PolarHBondContact O-N 2.96Å; I257-S261 PolarHBondContact O-N 3.13Å; I257-S261 VanDerWaalsContact O-N 3.1Å; I257-S261 PolarHBondContact O-OG 2.94Å; I257-F267 HydrophobicContact CB-CE2 4.14Å; I257-F267 HydrophobicContact CG2-CD2 3.99Å; I257-F267 HydrophobicContact CG2-CE2 3.6Å; I257-F267 HydrophobicContact CG2-CZ 4.45Å; I257-L272 HydrophobicContact CD1-CD1 4.06Å; I257-L272 HydrophobicContact CG2-CB 4.46Å; I257-Y275 HydrophobicContact CB-CD2 4.34Å; I257-Y275 HydrophobicContact CD1-CD2 4.13Å; I257-Y275 HydrophobicContact CD1-CG 4.17Å; I257-Y275 HydrophobicContact CG1-CD2 3.67Å; I257-Y275 HydrophobicContact CG1-CE2 4.29Å; I257-Y275 HydrophobicContact CG1-CG 4.07Å; I257-Y275 HydrophobicContact CG2-CD2 3.99Å
258	A	98.3	Very high	97.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.7	-35.8	178.8	0	0	0	0	0	112.6	L254 K255 R260 S261 F267 A325 L328 L329 K332	L254-A258 WeakPolarHBondContact O-CB 3.46Å; L254-A258 PolarHBondContact O-N 3.38Å; K255-A258 PolarHBondContact O-N 3.06Å; A258-R260 VanDerWaalsContact C-N 3.25Å; A258-R260 PolarHBondContact O-N 2.71Å; A258-S261 PolarHBondContact O-N 3.45Å; A258-F267 HydrophobicContact CB-CD2 4.2Å; A258-F267 HydrophobicContact CB-CE2 4.11Å; A258-A325 HydrophobicContact CB-CB 3.95Å; A258-L328 HydrophobicContact CB-CD2 4Å; A258-L329 HydrophobicContact CB-CD1 4.44Å; A258-L329 HydrophobicContact CB-CD2 4.17Å; A258-L329 HydrophobicContact CB-CG 4.03Å; A258-K332 PolarHBondContact O-NZ 2.73Å
259	E	97.8	Very high	97.7	Very high	102 Å²	102	33.4 Å²	33.4	48%	0.477	17%	0.168	S	C	.	.	H	α-helix	trans	-59.2	-37.7	173.3	-76.5	171	169	0	0	112	K255 I257 L328 K332	K255-E259 WeakPolarHBondContact CE-OE1 3.37Å; K255-E259 WeakPolarHBondContact O-CG 3.21Å; K255-E259 PolarHBondContact O-N 3.32Å; I257-E259 VanDerWaalsContact C-N 3.27Å; I257-E259 PolarHBondContact O-N 2.91Å; E259-L328 HydrophobicContact CB-CD2 4.16Å; E259-L328 HydrophobicContact CG-CD2 3.48Å; E259-L328 VanDerWaalsContact CG-CD2 3.48Å; E259-K332 PolarHBondContact O-NZ 2.92Å; E259-K332 VanDerWaalsContact O-NZ 3.07Å
260	R	97.9	Very high	97.8	Very high	87 Å²	87	39.3 Å²	39.3	33%	0.328	19%	0.19	S	C	.	.	H	α-helix	trans	-84	-11.4	-179.8	-68	168.9	171.5	69.8	-4.2	114.1	E54 A256 I257 A258 Y275	E54-R260 IonicContact OE2-CZ 3.16Å; E54-R260 IonicContact OE2-NE 2.83Å; E54-R260 PolarHBondContact OE2-NE 3.09Å; E54-R260 IonicContact OE2-NH2 2.98Å; E54-R260 PolarHBondContact OE2-NH2 2.86Å; E54-R260 VanDerWaalsContact OE2-NH2 3.08Å; A256-R260 WeakPolarHBondContact O-CD 3.39Å; A256-R260 WeakPolarHBondContact O-CG 3.36Å; A256-R260 PolarHBondContact O-N 3.04Å; A256-R260 PolarHBondContact O-NH1 3.25Å; I257-R260 CarbonylContact O-C 3.59Å; I257-R260 WeakPolarHBondContact O-CA 3.44Å; I257-R260 WeakPolarHBondContact O-CB 3.35Å; I257-R260 PolarHBondContact O-N 2.96Å; A258-R260 VanDerWaalsContact C-N 3.25Å; A258-R260 PolarHBondContact O-N 2.71Å; R260-Y275 WeakPolarHBondContact CD-OH 3.11Å; R260-Y275 PolarHBondContact NE-OH 2.89Å
261	S	98.1	Very high	97.9	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.021	19%	0.192	C	C	.	.			trans	-81.8	144.7	176.8	-45.8	0	0	0	0	111.6	I257 A258 D266 F267 T271 K332	I257-S261 PolarHBondContact O-N 3.13Å; I257-S261 VanDerWaalsContact O-N 3.1Å; I257-S261 PolarHBondContact O-OG 2.94Å; A258-S261 PolarHBondContact O-N 3.45Å; S261-D266 VanDerWaalsContact CA-OD2 3.25Å; S261-D266 WeakPolarHBondContact CA-OD2 3.38Å; S261-F267 VanDerWaalsContact OG-CD2 3.32Å; S261-F267 WeakPolarHBondContact OG-CD2 3.46Å; S261-T271 PolarHBondContact OG-OG1 3.46Å; S261-K332 PolarHBondContact O-NZ 3.18Å
262	E	97.2	Very high	98	Very high	160 Å²	160	39.7 Å²	39.7	75%	0.748	19%	0.192	S	C	*	.	S	Bend	trans	-82.7	-31	178.7	-65.3	179.6	-176.1	0	0	112.6	D266	E262-D266 HydrophobicContact CB-CB 4.24Å; E262-D266 PolarHBondContact N-OD2 2.87Å
263	S	97.5	Very high	98	Very high	33 Å²	33	41.3 Å²	41.3	23%	0.231	20%	0.203	C	C	.	.	S	Bend	trans	-153.3	175.5	-175.4	67.8	0	0	0	0	110.1	D265 D266 F267 E333	S263-D265 VanDerWaalsContact C-N 3.31Å; S263-D265 PolarHBondContact OG-N 3.09Å; S263-D266 PolarHBondContact O-N 3.38Å; S263-D266 WeakPolarHBondContact OG-CB 3.36Å; S263-D266 PolarHBondContact OG-N 3.14Å; S263-F267 PolarHBondContact O-N 3.18Å; S263-E333 VanDerWaalsContact CB-OE1 3.31Å; S263-E333 WeakPolarHBondContact CB-OE1 3.18Å
264	L	96.6	Very high	98.1	Very high	24 Å²	24	43.5 Å²	43.5	13%	0.126	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-42.5	170.9	-167.7	152.8	0	0	0	110.3	D266 F267 F268 E333 V348	L264-D266 PolarHBondContact O-N 2.68Å; L264-F267 WeakPolarHBondContact O-CB 3.46Å; L264-F267 PolarHBondContact O-N 3.47Å; L264-F268 HydrophobicContact CD2-CD2 3.48Å; L264-F268 VanDerWaalsContact CD2-CD2 3.48Å; L264-F268 HydrophobicContact CD2-CE2 3.56Å; L264-F268 HydrophobicContact CG-CD2 4Å; L264-F268 HydrophobicContact CG-CE2 3.83Å; L264-F268 WeakPolarHBondContact O-CD2 3.27Å; L264-F268 PolarHBondContact O-N 3.09Å; L264-F268 VanDerWaalsContact O-N 3.12Å; L264-E333 HydrophobicContact CB-CG 3.49Å; L264-E333 VanDerWaalsContact CB-CG 3.49Å; L264-E333 WeakPolarHBondContact CB-OE1 3.44Å; L264-E333 HydrophobicContact CD1-CG 4.14Å; L264-E333 HydrophobicContact CG-CG 4.46Å; L264-E333 PolarHBondContact N-OE1 3.02Å; L264-V348 HydrophobicContact CD1-CG1 4.28Å; L264-V348 HydrophobicContact CD1-CG2 3.88Å
265	D	97.8	Very high	98.1	Very high	99 Å²	99	44.7 Å²	44.7	53%	0.529	22%	0.217	S	C	.	.	H	α-helix	trans	-60.8	-44.8	176.3	-172.4	62.2	0	0	0	112.2	S263 F267 F268 T269	S263-D265 VanDerWaalsContact C-N 3.31Å; S263-D265 PolarHBondContact OG-N 3.09Å; D265-F267 VanDerWaalsContact C-N 3.3Å; D265-F267 PolarHBondContact O-N 3.07Å; D265-F268 PolarHBondContact O-N 3.19Å; D265-T269 WeakPolarHBondContact O-CB 3.24Å; D265-T269 WeakPolarHBondContact O-CG2 3.31Å; D265-T269 PolarHBondContact O-N 2.75Å; D265-T269 PolarHBondContact O-OG1 3.37Å; D265-T269 WeakPolarHBondContact OD1-CG2 3.25Å
266	D	98.5	Very high	98.1	Very high	16 Å²	16	42.3 Å²	42.3	9%	0.086	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-33.5	177.4	-177.4	59.4	0	0	0	113	S261 E262 S263 L264 R270 T271	S261-D266 VanDerWaalsContact CA-OD2 3.25Å; S261-D266 WeakPolarHBondContact CA-OD2 3.38Å; E262-D266 HydrophobicContact CB-CB 4.24Å; E262-D266 PolarHBondContact N-OD2 2.87Å; S263-D266 PolarHBondContact O-N 3.38Å; S263-D266 WeakPolarHBondContact OG-CB 3.36Å; S263-D266 PolarHBondContact OG-N 3.14Å; L264-D266 PolarHBondContact O-N 2.68Å; D266-R270 PolarHBondContact O-N 3.06Å; D266-R270 VanDerWaalsContact O-N 3.15Å; D266-R270 IonicContact OD1-CZ 2.77Å; D266-R270 IonicContact OD1-NE 3.56Å; D266-R270 PolarHBondContact OD1-NE 2.67Å; D266-R270 IonicContact OD1-NH2 3.64Å; D266-R270 PolarHBondContact OD1-NH2 3.09Å; D266-R270 IonicContact OD2-CZ 3.42Å; D266-R270 IonicContact OD2-NE 3.74Å; D266-R270 IonicContact OD2-NH2 3.63Å; D266-R270 PolarHBondContact OD2-NH2 3.45Å; D266-T271 PolarHBondContact O-N 2.73Å; D266-T271 PolarHBondContact O-OG1 3.28Å
267	F	98.7	Very high	98.2	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	I	π-helix	trans	-59.1	-56.3	171.7	-177.4	-87.6	0	0	0	111.2	L254 I257 A258 S261 S263 L264 D265 T271 L272 L329 I352	L254-F267 HydrophobicContact CD2-CZ 4.5Å; I257-F267 HydrophobicContact CB-CE2 4.14Å; I257-F267 HydrophobicContact CG2-CD2 3.99Å; I257-F267 HydrophobicContact CG2-CE2 3.6Å; I257-F267 HydrophobicContact CG2-CZ 4.45Å; A258-F267 HydrophobicContact CB-CD2 4.2Å; A258-F267 HydrophobicContact CB-CE2 4.11Å; S261-F267 VanDerWaalsContact OG-CD2 3.32Å; S261-F267 WeakPolarHBondContact OG-CD2 3.46Å; S263-F267 PolarHBondContact O-N 3.18Å; L264-F267 WeakPolarHBondContact O-CB 3.46Å; L264-F267 PolarHBondContact O-N 3.47Å; D265-F267 VanDerWaalsContact C-N 3.3Å; D265-F267 PolarHBondContact O-N 3.07Å; F267-T271 VanDerWaalsContact CA-OG1 3.26Å; F267-T271 WeakPolarHBondContact CA-OG1 3.3Å; F267-L272 HydrophobicContact CD1-CB 4.19Å; F267-L272 HydrophobicContact CD1-CD2 4.38Å; F267-L272 HydrophobicContact CE1-CB 3.84Å; F267-L272 HydrophobicContact CE1-CD2 3.48Å; F267-L272 VanDerWaalsContact CE1-CD2 3.48Å; F267-L272 HydrophobicContact CE1-CG 4.15Å; F267-L272 HydrophobicContact CE2-CB 4.41Å; F267-L272 HydrophobicContact CZ-CB 3.97Å; F267-L272 HydrophobicContact CZ-CD1 4.17Å; F267-L272 HydrophobicContact CZ-CD2 3.85Å; F267-L272 HydrophobicContact CZ-CG 4.22Å; F267-L272 VanDerWaalsContact O-CB 3.24Å; F267-L272 WeakPolarHBondContact O-CB 3.47Å; F267-L272 PolarHBondContact O-N 2.73Å; F267-L329 HydrophobicContact CB-CD1 4.2Å; F267-L329 HydrophobicContact CB-CD2 3.6Å; F267-L329 HydrophobicContact CD1-CD1 3.83Å; F267-L329 HydrophobicContact CD2-CD1 3.79Å; F267-L329 HydrophobicContact CD2-CD2 3.89Å; F267-L329 HydrophobicContact CD2-CG 4.37Å; F267-L329 HydrophobicContact CE1-CD1 4.14Å; F267-L329 HydrophobicContact CE2-CD1 4.09Å; F267-L329 HydrophobicContact CG-CD1 3.66Å; F267-L329 HydrophobicContact CG-CD2 3.84Å; F267-L329 HydrophobicContact CG-CG 4.39Å; F267-L329 HydrophobicContact CZ-CD1 4.25Å; F267-I352 HydrophobicContact CE1-CD1 4.04Å; F267-I352 HydrophobicContact CE1-CG1 3.83Å; F267-I352 HydrophobicContact CZ-CD1 4.16Å; F267-I352 HydrophobicContact CZ-CG1 4.35Å
268	F	98.7	Very high	98.2	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.026	23%	0.23	C	C	.	.	I	π-helix	trans	-74.3	-32.1	-173.6	-77	-78.8	0	0	0	113.3	L264 D265 P273 V348 R351 I352 Q355	L264-F268 HydrophobicContact CD2-CD2 3.48Å; L264-F268 VanDerWaalsContact CD2-CD2 3.48Å; L264-F268 HydrophobicContact CD2-CE2 3.56Å; L264-F268 HydrophobicContact CG-CD2 4Å; L264-F268 HydrophobicContact CG-CE2 3.83Å; L264-F268 WeakPolarHBondContact O-CD2 3.27Å; L264-F268 PolarHBondContact O-N 3.09Å; L264-F268 VanDerWaalsContact O-N 3.12Å; D265-F268 PolarHBondContact O-N 3.19Å; F268-P273 WeakPolarHBondContact O-CG 3.46Å; F268-V348 HydrophobicContact CE2-CG1 4.41Å; F268-V348 HydrophobicContact CZ-CG1 4.42Å; F268-R351 HydrophobicContact CD1-CG 4.02Å; F268-R351 HydrophobicContact CE1-CB 3.92Å; F268-R351 HydrophobicContact CE1-CG 3.43Å; F268-R351 VanDerWaalsContact CE1-CG 3.43Å; F268-R351 HydrophobicContact CE2-CG 4.48Å; F268-R351 HydrophobicContact CZ-CB 3.85Å; F268-R351 HydrophobicContact CZ-CG 3.69Å; F268-I352 HydrophobicContact CE1-CG1 3.96Å; F268-I352 HydrophobicContact CZ-CG1 3.64Å; F268-Q355 PolarHBondContact O-NE2 3.39Å
269	T	98.3	Very high	98.2	Very high	86 Å²	86	47.7 Å²	47.7	53%	0.528	23%	0.23	S	C	.	.	I	π-helix	trans	-93.7	-27.6	-173.1	61.2	0	0	0	0	113.7	D265	D265-T269 WeakPolarHBondContact O-CB 3.24Å; D265-T269 WeakPolarHBondContact O-CG2 3.31Å; D265-T269 PolarHBondContact O-N 2.75Å; D265-T269 PolarHBondContact O-OG1 3.37Å; D265-T269 WeakPolarHBondContact OD1-CG2 3.25Å
270	R	98.4	Very high	98.2	Very high	127 Å²	127	43.3 Å²	43.3	48%	0.479	21%	0.21	S	C	.	.	I	π-helix	trans	-126.8	-63.2	-172.3	-174.1	178.5	63	104.2	2.2	113.5	D266 H274	D266-R270 PolarHBondContact O-N 3.06Å; D266-R270 VanDerWaalsContact O-N 3.15Å; D266-R270 IonicContact OD1-CZ 2.77Å; D266-R270 IonicContact OD1-NE 3.56Å; D266-R270 PolarHBondContact OD1-NE 2.67Å; D266-R270 IonicContact OD1-NH2 3.64Å; D266-R270 PolarHBondContact OD1-NH2 3.09Å; D266-R270 IonicContact OD2-CZ 3.42Å; D266-R270 IonicContact OD2-NE 3.74Å; D266-R270 IonicContact OD2-NH2 3.63Å; D266-R270 PolarHBondContact OD2-NH2 3.45Å; R270-H274 WeakPolarHBondContact O-CB 3.42Å; R270-H274 PolarHBondContact O-N 3.31Å
271	T	98.4	Very high	98.2	Very high	8 Å²	8	40.3 Å²	40.3	5%	0.049	20%	0.204	C	C	.	.	I	π-helix	trans	-72.9	-45.2	-165.2	51.4	0	0	0	0	112.9	S261 D266 F267 H274 Y275	S261-T271 PolarHBondContact OG-OG1 3.46Å; D266-T271 PolarHBondContact O-N 2.73Å; D266-T271 PolarHBondContact O-OG1 3.28Å; F267-T271 VanDerWaalsContact CA-OG1 3.26Å; F267-T271 WeakPolarHBondContact CA-OG1 3.3Å; T271-H274 PolarHBondContact O-N 2.71Å; T271-Y275 WeakPolarHBondContact O-CD2 3.48Å; T271-Y275 PolarHBondContact O-N 3.1Å; T271-Y275 VanDerWaalsContact O-N 3.09Å
272	L	98.7	Very high	98.2	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-63.1	-51.1	175.4	179.9	63.7	0	0	0	111.7	L252 L254 I257 F267 H274 Y275 C276 I352 L356	L252-L272 HydrophobicContact CD1-CD1 3.96Å; L254-L272 HydrophobicContact CD2-CD1 3.92Å; I257-L272 HydrophobicContact CD1-CD1 4.06Å; I257-L272 HydrophobicContact CG2-CB 4.46Å; F267-L272 HydrophobicContact CD1-CB 4.19Å; F267-L272 HydrophobicContact CD1-CD2 4.38Å; F267-L272 HydrophobicContact CE1-CB 3.84Å; F267-L272 HydrophobicContact CE1-CD2 3.48Å; F267-L272 VanDerWaalsContact CE1-CD2 3.48Å; F267-L272 HydrophobicContact CE1-CG 4.15Å; F267-L272 HydrophobicContact CE2-CB 4.41Å; F267-L272 HydrophobicContact CZ-CB 3.97Å; F267-L272 HydrophobicContact CZ-CD1 4.17Å; F267-L272 HydrophobicContact CZ-CD2 3.85Å; F267-L272 HydrophobicContact CZ-CG 4.22Å; F267-L272 VanDerWaalsContact O-CB 3.24Å; F267-L272 WeakPolarHBondContact O-CB 3.47Å; F267-L272 PolarHBondContact O-N 2.73Å; L272-H274 VanDerWaalsContact C-N 3.28Å; L272-H274 PolarHBondContact O-N 3.01Å; L272-Y275 PolarHBondContact O-N 2.89Å; L272-C276 WeakPolarHBondContact O-CB 3.31Å; L272-C276 PolarHBondContact O-N 2.76Å; L272-C276 PolarHBondContact O-SG 2.92Å; L272-I352 HydrophobicContact CD2-CG2 4.4Å; L272-L356 HydrophobicContact CD1-CD2 3.99Å; L272-L356 HydrophobicContact CD2-CD2 4.25Å; L272-L356 HydrophobicContact CD2-CG 4.44Å; L272-L356 HydrophobicContact CG-CD2 4.4Å
273	P	98.6	Very high	98.3	Very high	34 Å²	34	32.6 Å²	32.6	22%	0.221	17%	0.168	C	C	.	.	H	α-helix	trans	-54.9	-40.1	174.8	-28	35.5	0	0	0	114	F268 C276 Q277	F268-P273 WeakPolarHBondContact O-CG 3.46Å; P273-C276 PolarHBondContact O-N 3.45Å; P273-Q277 WeakPolarHBondContact O-CG 3.3Å; P273-Q277 PolarHBondContact O-N 2.79Å; P273-Q277 VanDerWaalsContact O-N 3.11Å
274	H	98.6	Very high	98.3	Very high	68 Å²	68	33.1 Å²	33.1	32%	0.315	17%	0.168	S	C	.	.	H	α-helix	trans	-59.8	-52.4	177	171.4	78.3	0	0	0	111.6	E47 R270 T271 L272 C276 Q277 Q278	E47-H274 IonicContact OE2-CE1 2.77Å; E47-H274 PolarHBondContact OE2-CE1 2.85Å; R270-H274 WeakPolarHBondContact O-CB 3.42Å; R270-H274 PolarHBondContact O-N 3.31Å; T271-H274 PolarHBondContact O-N 2.71Å; L272-H274 VanDerWaalsContact C-N 3.28Å; L272-H274 PolarHBondContact O-N 3.01Å; H274-C276 VanDerWaalsContact C-N 3.3Å; H274-C276 PolarHBondContact O-N 2.91Å; H274-Q277 WeakPolarHBondContact O-CB 3.31Å; H274-Q277 PolarHBondContact O-N 2.65Å; H274-Q278 PolarHBondContact CE1-NE2 3.3Å; H274-Q278 VanDerWaalsContact CE1-NE2 3.29Å; H274-Q278 WeakPolarHBondContact O-CG 3.44Å; H274-Q278 PolarHBondContact O-N 3.45Å; H274-Q278 VanDerWaalsContact O-N 3.16Å
275	Y	98.8	Very high	98.3	Very high	26 Å²	26	32.8 Å²	32.8	10%	0.102	17%	0.169	C	C	.	.	H	α-helix	trans	-69.8	-27.8	-179.6	-74	-66.4	0	0	0	113	A51 V56 I257 R260 T271 L272 Q278 Q279	A51-Y275 HydrophobicContact CB-CD1 4.03Å; A51-Y275 HydrophobicContact CB-CE1 3.98Å; V56-Y275 HydrophobicContact CB-CD1 4.19Å; V56-Y275 HydrophobicContact CB-CE1 3.89Å; V56-Y275 HydrophobicContact CG1-CD1 3.58Å; V56-Y275 HydrophobicContact CG1-CD2 4.03Å; V56-Y275 HydrophobicContact CG1-CE1 3.57Å; V56-Y275 HydrophobicContact CG1-CE2 4.01Å; V56-Y275 HydrophobicContact CG1-CG 3.82Å; V56-Y275 HydrophobicContact CG2-CE1 4.09Å; I257-Y275 HydrophobicContact CB-CD2 4.34Å; I257-Y275 HydrophobicContact CD1-CD2 4.13Å; I257-Y275 HydrophobicContact CD1-CG 4.17Å; I257-Y275 HydrophobicContact CG1-CD2 3.67Å; I257-Y275 HydrophobicContact CG1-CE2 4.29Å; I257-Y275 HydrophobicContact CG1-CG 4.07Å; I257-Y275 HydrophobicContact CG2-CD2 3.99Å; R260-Y275 WeakPolarHBondContact CD-OH 3.11Å; R260-Y275 PolarHBondContact NE-OH 2.89Å; T271-Y275 WeakPolarHBondContact O-CD2 3.48Å; T271-Y275 PolarHBondContact O-N 3.1Å; T271-Y275 VanDerWaalsContact O-N 3.09Å; L272-Y275 PolarHBondContact O-N 2.89Å; Y275-Q278 PolarHBondContact O-N 3.29Å; Y275-Q279 PolarHBondContact O-N 3.01Å
276	C	98.8	Very high	98.2	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.014	14%	0.144	C	C	.	.	H	α-helix	trans	-60.8	-43	170	-70.9	0	0	0	0	112.3	L272 P273 H274 Q279 I280 F317 F359	L272-C276 WeakPolarHBondContact O-CB 3.31Å; L272-C276 PolarHBondContact O-N 2.76Å; L272-C276 PolarHBondContact O-SG 2.92Å; P273-C276 PolarHBondContact O-N 3.45Å; H274-C276 VanDerWaalsContact C-N 3.3Å; H274-C276 PolarHBondContact O-N 2.91Å; C276-Q279 PolarHBondContact O-N 3.09Å; C276-I280 PolarHBondContact O-N 3.1Å; C276-I280 VanDerWaalsContact O-N 3.13Å; C276-F317 HydrophobicContact CB-CZ 4.02Å; C276-F359 HydrophobicContact CB-CD1 3.7Å; C276-F359 HydrophobicContact CB-CD2 3.94Å; C276-F359 HydrophobicContact CB-CE1 3.52Å; C276-F359 HydrophobicContact CB-CE2 3.74Å; C276-F359 HydrophobicContact CB-CG 3.93Å; C276-F359 HydrophobicContact CB-CZ 3.53Å
277	Q	98.4	Very high	98.1	Very high	105 Å²	105	27.4 Å²	27.4	49%	0.491	14%	0.14	S	C	.	.	H	α-helix	trans	-61.9	-43.6	174.3	-71.5	-76.9	-5.6	0	0	111.7	P273 H274 Q279 I280 A281 F359	P273-Q277 WeakPolarHBondContact O-CG 3.3Å; P273-Q277 PolarHBondContact O-N 2.79Å; P273-Q277 VanDerWaalsContact O-N 3.11Å; H274-Q277 WeakPolarHBondContact O-CB 3.31Å; H274-Q277 PolarHBondContact O-N 2.65Å; Q277-Q279 VanDerWaalsContact C-N 3.31Å; Q277-Q279 PolarHBondContact O-N 3.46Å; Q277-I280 PolarHBondContact O-N 2.97Å; Q277-A281 PolarHBondContact O-N 3.21Å; Q277-F359 HydrophobicContact CG-CE2 4.16Å; Q277-F359 HydrophobicContact CG-CZ 4.15Å
278	Q	98.5	Very high	98	Very high	14 Å²	14	30 Å²	30	7%	0.065	15%	0.152	C	C	.	.	H	α-helix	trans	-63.5	-38	177.8	-56.2	-40.5	-41.8	0	0	112.1	E47 A48 A51 I57 H274 Y275 A281 I282	E47-Q278 HydrophobicContact CB-CG 4.45Å; E47-Q278 VanDerWaalsContact CB-OE1 3.31Å; E47-Q278 PolarHBondContact OE2-NE2 3.41Å; A48-Q278 HydrophobicContact CB-CB 4.44Å; A51-Q278 HydrophobicContact CB-CB 4.2Å; A51-Q278 HydrophobicContact CB-CG 4.47Å; I57-Q278 HydrophobicContact CD1-CB 3.69Å; H274-Q278 PolarHBondContact CE1-NE2 3.3Å; H274-Q278 VanDerWaalsContact CE1-NE2 3.29Å; H274-Q278 WeakPolarHBondContact O-CG 3.44Å; H274-Q278 PolarHBondContact O-N 3.45Å; H274-Q278 VanDerWaalsContact O-N 3.16Å; Y275-Q278 PolarHBondContact O-N 3.29Å; Q278-A281 PolarHBondContact O-N 3.49Å; Q278-I282 WeakPolarHBondContact O-CD1 3.46Å; Q278-I282 VanDerWaalsContact O-CG1 3.32Å; Q278-I282 WeakPolarHBondContact O-CG1 3.2Å; Q278-I282 PolarHBondContact O-N 3.14Å; Q278-I282 VanDerWaalsContact O-N 3.12Å
279	Q	98.5	Very high	97.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.3	-41.6	175.4	178.7	155.8	-52.7	0	0	112.2	I57 V250 L252 Y275 C276 Q277 A281 I282 I283 F317 G318	I57-Q279 HydrophobicContact CD1-CB 4.01Å; V250-Q279 HydrophobicContact CB-CG 4.13Å; V250-Q279 HydrophobicContact CG1-CG 3.83Å; V250-Q279 PolarHBondContact O-NE2 2.93Å; L252-Q279 HydrophobicContact CD2-CB 4.01Å; Y275-Q279 PolarHBondContact O-N 3.01Å; C276-Q279 PolarHBondContact O-N 3.09Å; Q277-Q279 VanDerWaalsContact C-N 3.31Å; Q277-Q279 PolarHBondContact O-N 3.46Å; Q279-A281 VanDerWaalsContact C-N 3.34Å; Q279-I282 PolarHBondContact O-N 3.13Å; Q279-I283 HydrophobicContact CG-CD1 3.95Å; Q279-I283 HydrophobicContact CG-CG1 4.49Å; Q279-I283 WeakPolarHBondContact O-CG1 3.18Å; Q279-I283 PolarHBondContact O-N 2.83Å; Q279-F317 HydrophobicContact CB-CE2 3.78Å; Q279-F317 HydrophobicContact CB-CZ 4.06Å; Q279-F317 HydrophobicContact CG-CD2 3.9Å; Q279-F317 HydrophobicContact CG-CE2 3.6Å; Q279-F317 HydrophobicContact CG-CZ 4.03Å; Q279-F317 VanDerWaalsContact NE2-CD2 3.33Å; Q279-G318 PolarHBondContact NE2-O 2.93Å; Q279-G318 VanDerWaalsContact NE2-O 3.14Å
280	I	98.1	Very high	97.8	Very high	10 Å²	10	27.8 Å²	27.8	5%	0.051	14%	0.135	C	C	.	.	H	α-helix	trans	-61.9	-43.3	174.9	-67.8	-66.8	0	0	0	111	C276 Q277 I282 I283 D284 F317 F359 T363 V365	C276-I280 PolarHBondContact O-N 3.1Å; C276-I280 VanDerWaalsContact O-N 3.13Å; Q277-I280 PolarHBondContact O-N 2.97Å; I280-I282 VanDerWaalsContact C-N 3.25Å; I280-I282 PolarHBondContact O-N 2.85Å; I280-I283 HydrophobicContact CD1-CD1 4.49Å; I280-I283 WeakPolarHBondContact O-CB 3.47Å; I280-I283 PolarHBondContact O-N 3.12Å; I280-I283 VanDerWaalsContact O-N 3.15Å; I280-D284 PolarHBondContact O-N 3.49Å; I280-F317 HydrophobicContact CD1-CD2 3.83Å; I280-F317 HydrophobicContact CD1-CE2 4.02Å; I280-F317 HydrophobicContact CG1-CD2 4.4Å; I280-F317 HydrophobicContact CG1-CE2 4.08Å; I280-F359 HydrophobicContact CD1-CE1 4.43Å; I280-F359 HydrophobicContact CG1-CE1 3.75Å; I280-F359 HydrophobicContact CG1-CZ 4.25Å; I280-T363 HydrophobicContact CD1-CG2 4.26Å; I280-T363 HydrophobicContact CG1-CG2 3.96Å; I280-T363 HydrophobicContact CG2-CG2 4.16Å; I280-V365 HydrophobicContact CD1-CG1 4.06Å
281	A	97.9	Very high	97.7	Very high	25 Å²	25	23.5 Å²	23.5	21%	0.207	12%	0.12	C	C	.	.	H	α-helix	trans	-59	-37.7	177.1	0	0	0	0	0	112.6	P45 A48 Q277 Q278 Q279 A285	P45-A281 HydrophobicContact CG-CB 4.14Å; A48-A281 HydrophobicContact CB-CB 4.03Å; Q277-A281 PolarHBondContact O-N 3.21Å; Q278-A281 PolarHBondContact O-N 3.49Å; Q279-A281 VanDerWaalsContact C-N 3.34Å; A281-A285 WeakPolarHBondContact O-CB 3.03Å; A281-A285 PolarHBondContact O-N 2.96Å; A281-A285 VanDerWaalsContact O-N 3.12Å
282	I	97.8	Very high	97.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-69.6	-45.7	175.9	-61.9	157.2	0	0	0	110.6	L44 A48 L52 I57 V250 Q278 Q279 I280 D284 A285 R286	L44-I282 HydrophobicContact CD1-CG1 4.19Å; L44-I282 HydrophobicContact CD2-CB 4.48Å; L44-I282 HydrophobicContact CD2-CG1 4.18Å; A48-I282 HydrophobicContact CB-CD1 4.47Å; A48-I282 HydrophobicContact CB-CG1 4Å; L52-I282 HydrophobicContact CD1-CD1 3.88Å; L52-I282 HydrophobicContact CD1-CG1 3.98Å; L52-I282 HydrophobicContact CD1-CG2 4.16Å; L52-I282 HydrophobicContact CD2-CD1 3.89Å; L52-I282 HydrophobicContact CG-CD1 3.56Å; L52-I282 HydrophobicContact CG-CG1 4.23Å; I57-I282 HydrophobicContact CB-CD1 4.12Å; I57-I282 HydrophobicContact CD1-CD1 3.82Å; I57-I282 HydrophobicContact CG2-CD1 3.65Å; V250-I282 HydrophobicContact CG1-CB 4.36Å; V250-I282 HydrophobicContact CG1-CG2 4.06Å; V250-I282 HydrophobicContact CG2-CG2 3.95Å; Q278-I282 WeakPolarHBondContact O-CD1 3.46Å; Q278-I282 VanDerWaalsContact O-CG1 3.32Å; Q278-I282 WeakPolarHBondContact O-CG1 3.2Å; Q278-I282 PolarHBondContact O-N 3.14Å; Q278-I282 VanDerWaalsContact O-N 3.12Å; Q279-I282 PolarHBondContact O-N 3.13Å; I280-I282 VanDerWaalsContact C-N 3.25Å; I280-I282 PolarHBondContact O-N 2.85Å; I282-D284 PolarHBondContact O-N 3.38Å; I282-A285 PolarHBondContact O-N 2.79Å; I282-R286 HydrophobicContact CG2-CG 4.38Å; I282-R286 VanDerWaalsContact O-CG 3.29Å; I282-R286 WeakPolarHBondContact O-CG 3.3Å; I282-R286 PolarHBondContact O-N 3.01Å
283	I	97.8	Very high	97.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.2	-50.4	176.3	-76	169.7	0	0	0	110.5	V250 Q279 I280 A285 R286 C287 P315 F317	V250-I283 HydrophobicContact CB-CD1 4.36Å; V250-I283 HydrophobicContact CB-CG1 3.87Å; V250-I283 HydrophobicContact CG2-CG1 3.7Å; Q279-I283 HydrophobicContact CG-CD1 3.95Å; Q279-I283 HydrophobicContact CG-CG1 4.49Å; Q279-I283 WeakPolarHBondContact O-CG1 3.18Å; Q279-I283 PolarHBondContact O-N 2.83Å; I280-I283 HydrophobicContact CD1-CD1 4.49Å; I280-I283 WeakPolarHBondContact O-CB 3.47Å; I280-I283 PolarHBondContact O-N 3.12Å; I280-I283 VanDerWaalsContact O-N 3.15Å; I283-A285 PolarHBondContact O-N 3.23Å; I283-R286 PolarHBondContact O-N 3.44Å; I283-C287 VanDerWaalsContact O-CB 3.32Å; I283-C287 WeakPolarHBondContact O-CB 3.34Å; I283-C287 PolarHBondContact O-N 3.02Å; I283-C287 PolarHBondContact O-SG 3.04Å; I283-C287 VanDerWaalsContact O-SG 3.42Å; I283-P315 HydrophobicContact CG2-CB 3.35Å; I283-P315 HydrophobicContact CG2-CG 3.73Å; I283-F317 HydrophobicContact CD1-CB 4.42Å; I283-F317 HydrophobicContact CD1-CD2 3.99Å
284	D	97.4	Very high	97.1	Very high	45 Å²	45	32 Å²	32	24%	0.241	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-44.3	-178.5	-82.2	-28.4	0	0	0	111.2	I280 I282 R286 C287 E288	I280-D284 PolarHBondContact O-N 3.49Å; I282-D284 PolarHBondContact O-N 3.38Å; D284-R286 PolarHBondContact O-N 3.41Å; D284-C287 PolarHBondContact O-N 3.04Å; D284-E288 VanDerWaalsContact O-CB 3.24Å; D284-E288 WeakPolarHBondContact O-CB 3.21Å; D284-E288 PolarHBondContact O-N 3.25Å
285	A	96.9	Very high	96.8	Very high	17 Å²	17	33 Å²	33	14%	0.14	16%	0.163	C	C	.	.	H	α-helix	trans	-62.7	-42.7	178.3	0	0	0	0	0	112.8	P42 L44 A281 I282 I283 F289	P42-A285 HydrophobicContact CB-CB 4.24Å; L44-A285 HydrophobicContact CD2-CB 3.5Å; A281-A285 WeakPolarHBondContact O-CB 3.03Å; A281-A285 PolarHBondContact O-N 2.96Å; A281-A285 VanDerWaalsContact O-N 3.12Å; I282-A285 PolarHBondContact O-N 2.79Å; I283-A285 PolarHBondContact O-N 3.23Å; A285-F289 PolarHBondContact O-N 2.81Å; A285-F289 VanDerWaalsContact O-N 3.16Å
286	R	96.1	Very high	96.7	Very high	1 Å²	1	33 Å²	33	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-66.6	-44.7	177.3	-69.2	179	71	67.8	11.5	111.5	Y41 D59 E62 G63 P66 T248 I282 I283 D284 F289 L290	Y41-R286 VanDerWaalsContact OH-CD 3.28Å; Y41-R286 WeakPolarHBondContact OH-CD 3.41Å; Y41-R286 WeakPolarHBondContact OH-CG 3.37Å; Y41-R286 PolarHBondContact OH-NH1 3.43Å; D59-R286 IonicContact OD2-NH1 3.45Å; E62-R286 PolarHBondContact O-NH2 3.16Å; E62-R286 IonicContact OE2-CZ 3.49Å; E62-R286 IonicContact OE2-NE 3.08Å; E62-R286 IonicContact OE2-NH2 2.69Å; E62-R286 PolarHBondContact OE2-NH2 3.38Å; G63-R286 PolarHBondContact O-NH1 3.49Å; G63-R286 PolarHBondContact O-NH2 2.89Å; P66-R286 HydrophobicContact CG-CB 4.28Å; P66-R286 WeakPolarHBondContact CG-O 3.49Å; T248-R286 HydrophobicContact CG2-CB 4.41Å; T248-R286 PolarHBondContact OG1-NE 3.26Å; I282-R286 HydrophobicContact CG2-CG 4.38Å; I282-R286 VanDerWaalsContact O-CG 3.29Å; I282-R286 WeakPolarHBondContact O-CG 3.3Å; I282-R286 PolarHBondContact O-N 3.01Å; I283-R286 PolarHBondContact O-N 3.44Å; D284-R286 PolarHBondContact O-N 3.41Å; R286-F289 PolarHBondContact O-N 3.22Å; R286-L290 PolarHBondContact O-N 2.8Å
287	C	97.1	Very high	96.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.007	17%	0.166	C	C	.	.	H	α-helix	trans	-65.2	-43.5	176.6	-76.5	0	0	0	0	112	I283 D284 F289 L290 Y291 Y367	I283-C287 VanDerWaalsContact O-CB 3.32Å; I283-C287 WeakPolarHBondContact O-CB 3.34Å; I283-C287 PolarHBondContact O-N 3.02Å; I283-C287 PolarHBondContact O-SG 3.04Å; I283-C287 VanDerWaalsContact O-SG 3.42Å; D284-C287 PolarHBondContact O-N 3.04Å; C287-F289 VanDerWaalsContact C-N 3.27Å; C287-F289 PolarHBondContact O-N 3.19Å; C287-L290 PolarHBondContact O-N 2.96Å; C287-Y291 HydrophobicContact CB-CD2 4.43Å; C287-Y291 WeakPolarHBondContact O-CB 3.47Å; C287-Y291 WeakPolarHBondContact O-CD2 3.29Å; C287-Y291 PolarHBondContact O-N 3.48Å; C287-Y367 HydrophobicContact CB-CD2 4.11Å; C287-Y367 HydrophobicContact CB-CG 4.46Å
288	E	96.3	Very high	96.3	Very high	55 Å²	55	35.3 Å²	35.3	26%	0.257	17%	0.174	S	C	.	.	H	α-helix	trans	-55	-46.3	176	-171.4	102.7	-169.6	0	0	110.7	D284 Y291 Q292 K366 Y367	D284-E288 VanDerWaalsContact O-CB 3.24Å; D284-E288 WeakPolarHBondContact O-CB 3.21Å; D284-E288 PolarHBondContact O-N 3.25Å; E288-Y291 PolarHBondContact O-N 3.31Å; E288-Q292 VanDerWaalsContact CD-NE2 3.27Å; E288-Q292 VanDerWaalsContact O-CB 3.32Å; E288-Q292 WeakPolarHBondContact O-CB 3.2Å; E288-Q292 PolarHBondContact O-N 3.47Å; E288-Q292 PolarHBondContact OE1-NE2 2.79Å; E288-Q292 PolarHBondContact OE1-OE1 3.14Å; E288-K366 IonicContact OE1-NZ 2.71Å; E288-K366 PolarHBondContact OE1-NZ 3.39Å; E288-K366 WeakPolarHBondContact OE2-CD 3.36Å; E288-K366 WeakPolarHBondContact OE2-CE 3.39Å; E288-K366 IonicContact OE2-NZ 3.41Å; E288-K366 PolarHBondContact OE2-NZ 2.9Å; E288-Y367 HydrophobicContact CB-CE2 4.46Å
289	F	96.5	Very high	95.9	Very high	42 Å²	42	40.5 Å²	40.5	18%	0.184	20%	0.203	C	C	.	.	I	π-helix	trans	-61.7	-50.8	176.3	-170.5	-85.7	0	0	0	111.9	P42 A65 P66 A285 R286 C287 Y291 Q293 S294	P42-F289 HydrophobicContact CG-CB 4.02Å; P42-F289 HydrophobicContact CG-CD2 4.29Å; P42-F289 HydrophobicContact CG-CG 4.19Å; A65-F289 HydrophobicContact CB-CD1 4.36Å; A65-F289 HydrophobicContact CB-CE1 3.71Å; A65-F289 HydrophobicContact CB-CE2 4.37Å; A65-F289 HydrophobicContact CB-CZ 3.72Å; P66-F289 HydrophobicContact CG-CD1 4.3Å; P66-F289 WeakPolarHBondContact O-CD1 3.39Å; A285-F289 PolarHBondContact O-N 2.81Å; A285-F289 VanDerWaalsContact O-N 3.16Å; R286-F289 PolarHBondContact O-N 3.22Å; C287-F289 VanDerWaalsContact C-N 3.27Å; C287-F289 PolarHBondContact O-N 3.19Å; F289-Y291 VanDerWaalsContact C-N 3.34Å; F289-Y291 PolarHBondContact O-N 3.46Å; F289-Q293 HydrophobicContact CD2-CB 3.81Å; F289-Q293 HydrophobicContact CD2-CG 4.3Å; F289-Q293 HydrophobicContact CE2-CB 3.89Å; F289-Q293 HydrophobicContact CG-CB 4.2Å; F289-Q293 HydrophobicContact CZ-CB 4.32Å; F289-Q293 CarbonylContact O-C 3.36Å; F289-Q293 WeakPolarHBondContact O-CA 3.43Å; F289-Q293 WeakPolarHBondContact O-CB 3.47Å; F289-Q293 PolarHBondContact O-N 3.19Å; F289-S294 PolarHBondContact O-N 3.04Å
290	L	96	Very high	95.8	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	21%	0.208	C	C	.	.	I	π-helix	trans	-58.3	-44.8	179.3	176.8	64.6	0	0	0	111.8	P66 K68 P69 R286 C287 S294 F296 F297	P66-L290 HydrophobicContact CG-CB 4.41Å; K68-L290 VanDerWaalsContact C-CD1 3.49Å; P69-L290 HydrophobicContact CB-CD2 4.37Å; P69-L290 HydrophobicContact CG-CD2 4.29Å; R286-L290 PolarHBondContact O-N 2.8Å; C287-L290 PolarHBondContact O-N 2.96Å; L290-S294 PolarHBondContact O-OG 3.41Å; L290-F296 HydrophobicContact CD1-CB 4.12Å; L290-F296 HydrophobicContact CD1-CG 4.47Å; L290-F297 HydrophobicContact CD2-CE2 4.22Å; L290-F297 HydrophobicContact CD2-CZ 4.41Å; L290-F297 HydrophobicContact CG-CE2 4.02Å
291	Y	95.8	Very high	95.8	Very high	38 Å²	38	41.9 Å²	41.9	15%	0.149	21%	0.21	C	C	.	.	I	π-helix	trans	-80.7	-32.1	-173.4	-81.6	-105.9	0	0	0	113.9	S247 C287 E288 F289 F297 P310 F313 Y367	S247-Y291 PolarHBondContact OG-OH 3.03Å; C287-Y291 HydrophobicContact CB-CD2 4.43Å; C287-Y291 WeakPolarHBondContact O-CB 3.47Å; C287-Y291 WeakPolarHBondContact O-CD2 3.29Å; C287-Y291 PolarHBondContact O-N 3.48Å; E288-Y291 PolarHBondContact O-N 3.31Å; F289-Y291 VanDerWaalsContact C-N 3.34Å; F289-Y291 PolarHBondContact O-N 3.46Å; Y291-F297 AromaticContact CD1-CD2 3.71Å; Y291-F297 HydrophobicContact CD1-CD2 3.71Å; Y291-F297 AromaticContact CD1-CE2 3.61Å; Y291-F297 HydrophobicContact CD1-CE2 3.61Å; Y291-F297 HydrophobicContact CD2-CD2 4.36Å; Y291-F297 AromaticContact CD2-CE2 3.64Å; Y291-F297 HydrophobicContact CD2-CE2 3.64Å; Y291-F297 AromaticContact CE1-CD2 3.96Å; Y291-F297 HydrophobicContact CE1-CD2 3.96Å; Y291-F297 AromaticContact CE1-CE2 3.54Å; Y291-F297 HydrophobicContact CE1-CE2 3.54Å; Y291-F297 HydrophobicContact CE1-CZ 4.02Å; Y291-F297 AromaticContact CE2-CE2 3.58Å; Y291-F297 HydrophobicContact CE2-CE2 3.58Å; Y291-F297 HydrophobicContact CE2-CZ 4.05Å; Y291-F297 AromaticContact CG-CD2 3.95Å; Y291-F297 HydrophobicContact CG-CD2 3.95Å; Y291-F297 AromaticContact CG-CE2 3.69Å; Y291-F297 HydrophobicContact CG-CE2 3.69Å; Y291-F297 AromaticContact CZ-CE2 3.54Å; Y291-F297 AromaticContact CZ-CZ 3.79Å; Y291-P310 HydrophobicContact CE1-CB 3.99Å; Y291-P310 PolarHBondContact OH-O 3.32Å; Y291-P310 VanDerWaalsContact OH-O 3.09Å; Y291-F313 WeakPolarHBondContact OH-CB 3.31Å; Y291-Y367 AromaticContact CD1-CD1 3.41Å; Y291-Y367 HydrophobicContact CD1-CD1 3.41Å; Y291-Y367 VanDerWaalsContact CD1-CD1 3.41Å; Y291-Y367 AromaticContact CD1-CE1 3.83Å; Y291-Y367 HydrophobicContact CD1-CE1 3.83Å; Y291-Y367 HydrophobicContact CD1-CG 4.07Å; Y291-Y367 HydrophobicContact CD2-CD1 4.11Å; Y291-Y367 HydrophobicContact CD2-CD2 4.43Å; Y291-Y367 AromaticContact CD2-CG 3.91Å; Y291-Y367 HydrophobicContact CD2-CG 3.91Å; Y291-Y367 AromaticContact CE1-CD1 3.84Å; Y291-Y367 HydrophobicContact CE1-CD1 3.84Å; Y291-Y367 HydrophobicContact CE1-CG 4.37Å; Y291-Y367 HydrophobicContact CE2-CD1 4.47Å; Y291-Y367 HydrophobicContact CE2-CG 4.23Å; Y291-Y367 AromaticContact CG-CD1 3.54Å; Y291-Y367 HydrophobicContact CG-CD1 3.54Å; Y291-Y367 HydrophobicContact CG-CD2 4.36Å; Y291-Y367 AromaticContact CG-CE1 3.9Å; Y291-Y367 HydrophobicContact CG-CE1 3.9Å; Y291-Y367 AromaticContact CG-CG 3.79Å; Y291-Y367 HydrophobicContact CG-CG 3.79Å
292	Q	94.8	Very high	95.8	Very high	83 Å²	83	40.7 Å²	40.7	39%	0.388	20%	0.201	S	C	.	.	I	π-helix	trans	-111.4	-31.4	-172.8	-60.5	-178.5	10.4	0	0	114.6	E288 K366 Y367	E288-Q292 VanDerWaalsContact CD-NE2 3.27Å; E288-Q292 VanDerWaalsContact O-CB 3.32Å; E288-Q292 WeakPolarHBondContact O-CB 3.2Å; E288-Q292 PolarHBondContact O-N 3.47Å; E288-Q292 PolarHBondContact OE1-NE2 2.79Å; E288-Q292 PolarHBondContact OE1-OE1 3.14Å; Q292-K366 VanDerWaalsContact NE2-NZ 3.16Å; Q292-Y367 WeakPolarHBondContact CG-OH 3.43Å; Q292-Y367 PolarHBondContact NE2-OH 3.45Å
293	Q	94.5	Very high	95.8	Very high	110 Å²	110	42.7 Å²	42.7	51%	0.514	21%	0.212	S	C	.	.	I	π-helix	trans	-110.4	-29.6	-168.5	-62.1	-177.5	55.2	0	0	112.7	F289 H295	F289-Q293 HydrophobicContact CD2-CB 3.81Å; F289-Q293 HydrophobicContact CD2-CG 4.3Å; F289-Q293 HydrophobicContact CE2-CB 3.89Å; F289-Q293 HydrophobicContact CG-CB 4.2Å; F289-Q293 HydrophobicContact CZ-CB 4.32Å; F289-Q293 CarbonylContact O-C 3.36Å; F289-Q293 WeakPolarHBondContact O-CA 3.43Å; F289-Q293 WeakPolarHBondContact O-CB 3.47Å; F289-Q293 PolarHBondContact O-N 3.19Å; Q293-H295 VanDerWaalsContact C-N 3.28Å; Q293-H295 PolarHBondContact O-CD2 2.69Å; Q293-H295 PolarHBondContact O-NE2 3.48Å
294	S	94.3	Very high	95.8	Very high	27 Å²	27	50.9 Å²	50.9	19%	0.189	25%	0.248	C	C	.	.	S	Bend	trans	-76.1	-19.5	177.1	82.7	0	0	0	0	113.8	F289 L290 F296	F289-S294 PolarHBondContact O-N 3.04Å; L290-S294 PolarHBondContact O-OG 3.41Å; S294-F296 PolarHBondContact O-N 2.7Å; S294-F296 VanDerWaalsContact O-N 3.17Å; S294-F296 WeakPolarHBondContact OG-CB 3.44Å; S294-F296 PolarHBondContact OG-N 2.84Å; S294-F296 VanDerWaalsContact OG-N 3.16Å
295	H	93.3	Very high	95.8	Very high	89 Å²	89	50.3 Å²	50.3	41%	0.412	24%	0.244	S	C	.	.			trans	56.8	22	-173.3	-54	-78.9	0	0	0	114.9	Q293 E298 N299	Q293-H295 VanDerWaalsContact C-N 3.28Å; Q293-H295 PolarHBondContact O-CD2 2.69Å; Q293-H295 PolarHBondContact O-NE2 3.48Å; H295-E298 IonicContact CE1-OE2 3.82Å; H295-E298 IonicContact CG-OE2 3.82Å; H295-E298 IonicContact ND1-OE2 2.87Å; H295-E298 PolarHBondContact ND1-OE2 3.11Å; H295-N299 WeakPolarHBondContact CB-ND2 3.38Å; H295-N299 PolarHBondContact O-N 2.91Å
296	F	95.5	Very high	95.8	Very high	26 Å²	26	50.7 Å²	50.7	11%	0.114	25%	0.249	C	C	.	.	H	α-helix	trans	-57.1	-56.7	178.9	176.1	-97	0	0	0	112.2	K68 P69 V72 P110 L290 S294 S300 I308	K68-F296 HydrophobicContact CB-CD2 4.4Å; K68-F296 HydrophobicContact CB-CE2 4.41Å; P69-F296 VanDerWaalsContact CD-CZ 3.4Å; P69-F296 HydrophobicContact CG-CD1 3.79Å; P69-F296 HydrophobicContact CG-CE1 3.42Å; P69-F296 VanDerWaalsContact CG-CE1 3.42Å; P69-F296 HydrophobicContact CG-CZ 3.88Å; V72-F296 HydrophobicContact CG2-CZ 4.46Å; P110-F296 HydrophobicContact CB-CE2 4.29Å; P110-F296 HydrophobicContact CG-CE2 3.49Å; P110-F296 VanDerWaalsContact CG-CE2 3.49Å; P110-F296 HydrophobicContact CG-CZ 3.64Å; L290-F296 HydrophobicContact CD1-CB 4.12Å; L290-F296 HydrophobicContact CD1-CG 4.47Å; S294-F296 PolarHBondContact O-N 2.7Å; S294-F296 VanDerWaalsContact O-N 3.17Å; S294-F296 WeakPolarHBondContact OG-CB 3.44Å; S294-F296 PolarHBondContact OG-N 2.84Å; S294-F296 VanDerWaalsContact OG-N 3.16Å; F296-S300 WeakPolarHBondContact O-CB 3.24Å; F296-S300 PolarHBondContact O-N 3.3Å; F296-I308 HydrophobicContact CE1-CD1 4.17Å; F296-I308 HydrophobicContact CZ-CD1 4.44Å
297	F	96.5	Very high	95.9	Very high	12 Å²	12	50.8 Å²	50.8	5%	0.053	25%	0.25	C	C	.	.	H	α-helix	trans	-72.1	-35.7	-174.1	-64.2	-68.8	0	0	0	112.9	P69 L290 Y291 N299 V303 P310 F313	P69-F297 HydrophobicContact CG-CE1 4.22Å; P69-F297 HydrophobicContact CG-CZ 3.99Å; L290-F297 HydrophobicContact CD2-CE2 4.22Å; L290-F297 HydrophobicContact CD2-CZ 4.41Å; L290-F297 HydrophobicContact CG-CE2 4.02Å; Y291-F297 AromaticContact CD1-CD2 3.71Å; Y291-F297 HydrophobicContact CD1-CD2 3.71Å; Y291-F297 AromaticContact CD1-CE2 3.61Å; Y291-F297 HydrophobicContact CD1-CE2 3.61Å; Y291-F297 HydrophobicContact CD2-CD2 4.36Å; Y291-F297 AromaticContact CD2-CE2 3.64Å; Y291-F297 HydrophobicContact CD2-CE2 3.64Å; Y291-F297 AromaticContact CE1-CD2 3.96Å; Y291-F297 HydrophobicContact CE1-CD2 3.96Å; Y291-F297 AromaticContact CE1-CE2 3.54Å; Y291-F297 HydrophobicContact CE1-CE2 3.54Å; Y291-F297 HydrophobicContact CE1-CZ 4.02Å; Y291-F297 AromaticContact CE2-CE2 3.58Å; Y291-F297 HydrophobicContact CE2-CE2 3.58Å; Y291-F297 HydrophobicContact CE2-CZ 4.05Å; Y291-F297 AromaticContact CG-CD2 3.95Å; Y291-F297 HydrophobicContact CG-CD2 3.95Å; Y291-F297 AromaticContact CG-CE2 3.69Å; Y291-F297 HydrophobicContact CG-CE2 3.69Å; Y291-F297 AromaticContact CZ-CE2 3.54Å; Y291-F297 AromaticContact CZ-CZ 3.79Å; F297-N299 VanDerWaalsContact C-N 3.35Å; F297-N299 PolarHBondContact O-N 2.99Å; F297-V303 HydrophobicContact CB-CG2 4.47Å; F297-V303 HydrophobicContact CD1-CG2 4.27Å; F297-V303 WeakPolarHBondContact O-CG2 3.24Å; F297-P310 HydrophobicContact CB-CB 4.33Å; F297-P310 HydrophobicContact CB-CG 3.78Å; F297-P310 HydrophobicContact CD1-CB 3.82Å; F297-P310 HydrophobicContact CD1-CG 3.62Å; F297-P310 HydrophobicContact CD2-CB 4.44Å; F297-P310 HydrophobicContact CE1-CB 4.2Å; F297-P310 HydrophobicContact CE1-CG 4.4Å; F297-P310 HydrophobicContact CG-CB 3.94Å; F297-P310 HydrophobicContact CG-CG 3.8Å; F297-F313 HydrophobicContact CE1-CD1 4.47Å; F297-F313 AromaticContact CE1-CD2 3.73Å; F297-F313 HydrophobicContact CE1-CD2 3.73Å; F297-F313 HydrophobicContact CE1-CE1 4.37Å; F297-F313 AromaticContact CE1-CE2 3.6Å; F297-F313 HydrophobicContact CE1-CE2 3.6Å; F297-F313 HydrophobicContact CE1-CG 4.18Å; F297-F313 AromaticContact CE1-CZ 3.94Å; F297-F313 HydrophobicContact CE1-CZ 3.94Å; F297-F313 HydrophobicContact CZ-CD1 4.37Å; F297-F313 HydrophobicContact CZ-CD2 4.14Å; F297-F313 HydrophobicContact CZ-CE2 4.37Å; F297-F313 HydrophobicContact CZ-CG 4.15Å
298	E	92.9	Very high	96	Very high	144 Å²	144	50.9 Å²	50.9	67%	0.673	25%	0.25	S	S	*	.	H	α-helix	trans	-62.6	-40.8	-179.4	-176.2	-179.7	-171.3	0	0	112.1	H295	H295-E298 IonicContact CE1-OE2 3.82Å; H295-E298 IonicContact CG-OE2 3.82Å; H295-E298 IonicContact ND1-OE2 2.87Å; H295-E298 PolarHBondContact ND1-OE2 3.11Å
299	N	90.6	Very high	96	Very high	124 Å²	124	51.3 Å²	51.3	66%	0.663	25%	0.254	S	S	*	.	H	α-helix	trans	-105.4	1.7	-172	-66	-43	0	0	0	114.4	H295 F297	H295-N299 WeakPolarHBondContact CB-ND2 3.38Å; H295-N299 PolarHBondContact O-N 2.91Å; F297-N299 VanDerWaalsContact C-N 3.35Å; F297-N299 PolarHBondContact O-N 2.99Å
300	S	95.5	Very high	96.1	Very high	16 Å²	16	50.9 Å²	50.9	11%	0.112	26%	0.256	C	S	.	.			trans	-79.4	125.1	-177.3	178.1	0	0	0	0	111.9	F296 L302 V303 K304	F296-S300 WeakPolarHBondContact O-CB 3.24Å; F296-S300 PolarHBondContact O-N 3.3Å; S300-L302 PolarHBondContact O-N 3.18Å; S300-L302 WeakPolarHBondContact OG-CB 3.22Å; S300-L302 PolarHBondContact OG-N 3.32Å; S300-V303 WeakPolarHBondContact O-CB 3.42Å; S300-V303 PolarHBondContact O-N 2.98Å; S300-K304 PolarHBondContact O-N 3.41Å; S300-K304 VanDerWaalsContact O-N 3.09Å
301	F	97.4	Very high	96.1	Very high	22 Å²	22	57.7 Å²	57.7	10%	0.096	29%	0.288	C	S	.	.	H	α-helix	trans	-60.8	-29.5	172.7	83.3	-84	0	0	0	111.8	W86 L87 L105 H108 V303 K304 E305	W86-F301 HydrophobicContact CB-CB 3.92Å; W86-F301 HydrophobicContact CB-CD2 3.97Å; W86-F301 HydrophobicContact CB-CG 4.12Å; W86-F301 HydrophobicContact CD2-CB 3.95Å; W86-F301 HydrophobicContact CD2-CD1 4.01Å; W86-F301 HydrophobicContact CD2-CD2 4.24Å; W86-F301 AromaticContact CD2-CG 3.79Å; W86-F301 HydrophobicContact CD2-CG 3.79Å; W86-F301 AromaticContact CE3-CD1 3.81Å; W86-F301 HydrophobicContact CE3-CD1 3.81Å; W86-F301 HydrophobicContact CE3-CD2 4.05Å; W86-F301 AromaticContact CE3-CE1 3.98Å; W86-F301 HydrophobicContact CE3-CE1 3.98Å; W86-F301 HydrophobicContact CE3-CE2 4.2Å; W86-F301 AromaticContact CE3-CG 3.85Å; W86-F301 HydrophobicContact CE3-CG 3.85Å; W86-F301 HydrophobicContact CE3-CZ 4.16Å; W86-F301 HydrophobicContact CG-CB 3.63Å; W86-F301 HydrophobicContact CG-CD2 4.21Å; W86-F301 AromaticContact CG-CG 3.89Å; W86-F301 HydrophobicContact CG-CG 3.89Å; W86-F301 HydrophobicContact CZ3-CD1 4.15Å; W86-F301 HydrophobicContact CZ3-CE1 4.05Å; W86-F301 HydrophobicContact CZ3-CZ 4.43Å; L87-F301 HydrophobicContact CD1-CE2 4.26Å; L87-F301 HydrophobicContact CD1-CZ 4.42Å; L87-F301 HydrophobicContact CG-CE2 4.35Å; L105-F301 HydrophobicContact CD1-CE2 4.27Å; L105-F301 HydrophobicContact CD1-CZ 4.02Å; H108-F301 HydrophobicContact CB-CE1 4.05Å; H108-F301 HydrophobicContact CB-CZ 3.86Å; F301-V303 PolarHBondContact O-N 3.14Å; F301-K304 PolarHBondContact O-N 2.74Å; F301-E305 WeakPolarHBondContact O-CB 3.17Å; F301-E305 WeakPolarHBondContact O-CG 3.2Å; F301-E305 PolarHBondContact O-N 3.32Å
302	L	98.1	Very high	96.1	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-59.7	-34.9	174.8	-56.7	174.7	0	0	0	111.3	V72 L105 S300 G306 L307 I308	V72-L302 HydrophobicContact CG1-CD1 4.45Å; L105-L302 HydrophobicContact CD1-CD2 3.96Å; S300-L302 PolarHBondContact O-N 3.18Å; S300-L302 WeakPolarHBondContact OG-CB 3.22Å; S300-L302 PolarHBondContact OG-N 3.32Å; L302-G306 PolarHBondContact O-N 3.08Å; L302-L307 HydrophobicContact CB-CB 4.47Å; L302-L307 HydrophobicContact CD2-CD1 3.93Å; L302-L307 WeakPolarHBondContact O-CA 3.19Å; L302-L307 WeakPolarHBondContact O-CB 3.49Å; L302-L307 PolarHBondContact O-N 2.98Å; L302-I308 HydrophobicContact CB-CD1 3.67Å; L302-I308 HydrophobicContact CB-CG1 3.69Å; L302-I308 HydrophobicContact CB-CG2 4.43Å; L302-I308 HydrophobicContact CD1-CD1 4.13Å; L302-I308 PolarHBondContact O-N 2.94Å
303	V	98	Very high	96.3	Very high	41 Å²	41	54.9 Å²	54.9	25%	0.248	27%	0.273	C	S	.	.	H	α-helix	trans	-75.5	-48.3	174.2	176.9	0	0	0	0	110.2	F297 S300 F301 E305 G306 I308 P310	F297-V303 HydrophobicContact CB-CG2 4.47Å; F297-V303 HydrophobicContact CD1-CG2 4.27Å; F297-V303 WeakPolarHBondContact O-CG2 3.24Å; S300-V303 WeakPolarHBondContact O-CB 3.42Å; S300-V303 PolarHBondContact O-N 2.98Å; F301-V303 PolarHBondContact O-N 3.14Å; V303-E305 VanDerWaalsContact C-N 3.27Å; V303-E305 PolarHBondContact O-N 3.03Å; V303-G306 WeakPolarHBondContact O-CA 3.32Å; V303-G306 PolarHBondContact O-N 3.27Å; V303-I308 HydrophobicContact CG2-CD1 3.91Å; V303-I308 HydrophobicContact CG2-CG1 3.64Å; V303-P310 HydrophobicContact CG1-CG 4.44Å; V303-P310 HydrophobicContact CG2-CG 4.33Å
304	K	97.5	Very high	96.4	Very high	172 Å²	172	49.6 Å²	49.6	75%	0.748	25%	0.249	S	C	*	.	H	α-helix	trans	-56.3	-40.5	-179.3	-172.6	-174.3	173.9	-165	0	112.6	S300 F301 G306	S300-K304 PolarHBondContact O-N 3.41Å; S300-K304 VanDerWaalsContact O-N 3.09Å; F301-K304 PolarHBondContact O-N 2.74Å; K304-G306 VanDerWaalsContact C-N 3.3Å
305	E	97.8	Very high	96.6	Very high	34 Å²	34	48.3 Å²	48.3	16%	0.159	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-2.7	179.7	-64	-176.4	168.5	0	0	113	R78 S84 E85 W86 F301 V303 L307	R78-E305 PolarHBondContact NE-O 2.84Å; R78-E305 PolarHBondContact NH2-O 2.81Å; S84-E305 WeakPolarHBondContact CB-OE2 3.3Å; S84-E305 PolarHBondContact OG-OE1 2.98Å; S84-E305 PolarHBondContact OG-OE2 3.39Å; E85-E305 PolarHBondContact N-OE1 3.46Å; E85-E305 VanDerWaalsContact N-OE1 3.13Å; W86-E305 WeakPolarHBondContact CB-OE1 3.34Å; W86-E305 PolarHBondContact N-OE1 3.27Å; F301-E305 WeakPolarHBondContact O-CB 3.17Å; F301-E305 WeakPolarHBondContact O-CG 3.2Å; F301-E305 PolarHBondContact O-N 3.32Å; V303-E305 VanDerWaalsContact C-N 3.27Å; V303-E305 PolarHBondContact O-N 3.03Å; E305-L307 VanDerWaalsContact C-N 3.33Å; E305-L307 HydrophobicContact CB-CG 4.22Å
306	G	97.6	Very high	96.8	Very high	24 Å²	24	44.1 Å²	44.1	25%	0.247	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	23.6	177.3	0	0	0	0	0	114.1	R78 L302 V303 K304	R78-G306 WeakPolarHBondContact CD-O 3.47Å; L302-G306 PolarHBondContact O-N 3.08Å; V303-G306 WeakPolarHBondContact O-CA 3.32Å; V303-G306 PolarHBondContact O-N 3.27Å; K304-G306 VanDerWaalsContact C-N 3.3Å
307	L	98.3	Very high	96.9	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	22%	0.215	C	C	.	.	S	Bend	trans	-76.3	-27.9	173.8	-54.6	-174.4	0	0	0	111.5	P74 D75 R78 F79 L105 L302 E305	P74-L307 WeakPolarHBondContact CA-O 3.28Å; P74-L307 HydrophobicContact CB-CB 4.47Å; D75-L307 PolarHBondContact N-O 3.1Å; R78-L307 HydrophobicContact CB-CD2 4.19Å; R78-L307 HydrophobicContact CG-CD2 4.08Å; F79-L307 HydrophobicContact CB-CD1 4.11Å; F79-L307 HydrophobicContact CB-CD2 3.78Å; F79-L307 HydrophobicContact CD2-CD1 4.05Å; F79-L307 HydrophobicContact CG-CD1 4.41Å; L105-L307 HydrophobicContact CD1-CD1 4.46Å; L105-L307 HydrophobicContact CD2-CD1 4.26Å; L302-L307 HydrophobicContact CB-CB 4.47Å; L302-L307 HydrophobicContact CD2-CD1 3.93Å; L302-L307 WeakPolarHBondContact O-CA 3.19Å; L302-L307 WeakPolarHBondContact O-CB 3.49Å; L302-L307 PolarHBondContact O-N 2.98Å; E305-L307 VanDerWaalsContact C-N 3.33Å; E305-L307 HydrophobicContact CB-CG 4.22Å
308	I	98.3	Very high	97	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	21%	0.212	C	C	.	.			trans	-134.5	152.2	171.4	67.9	179.2	0	0	0	110.9	V72 P74 A243 F296 L302 V303 F313	V72-I308 HydrophobicContact CG1-CD1 4.24Å; V72-I308 HydrophobicContact CG1-CG2 3.72Å; P74-I308 HydrophobicContact CB-CG2 4.35Å; A243-I308 CarbonylContact O-C 3.46Å; A243-I308 WeakPolarHBondContact O-CA 3.28Å; F296-I308 HydrophobicContact CE1-CD1 4.17Å; F296-I308 HydrophobicContact CZ-CD1 4.44Å; L302-I308 HydrophobicContact CB-CD1 3.67Å; L302-I308 HydrophobicContact CB-CG1 3.69Å; L302-I308 HydrophobicContact CB-CG2 4.43Å; L302-I308 HydrophobicContact CD1-CD1 4.13Å; L302-I308 PolarHBondContact O-N 2.94Å; V303-I308 HydrophobicContact CG2-CD1 3.91Å; V303-I308 HydrophobicContact CG2-CG1 3.64Å; I308-F313 HydrophobicContact CB-CE2 4.16Å; I308-F313 HydrophobicContact CB-CZ 4.46Å; I308-F313 HydrophobicContact CD1-CE2 4.24Å; I308-F313 HydrophobicContact CD1-CZ 4.12Å; I308-F313 HydrophobicContact CG1-CE2 4.5Å
309	N	97.5	Very high	97.2	Very high	63 Å²	63	35.4 Å²	35.4	34%	0.337	18%	0.18	S	C	.	.			trans	-124.7	122.4	175.6	178.8	-12.3	0	0	0	109.3	A243 E311 R312 F313	A243-N309 PolarHBondContact O-N 2.97Å; N309-E311 PolarHBondContact O-N 3.3Å; N309-E311 VanDerWaalsContact O-N 3.08Å; N309-E311 WeakPolarHBondContact OD1-CB 3.45Å; N309-E311 PolarHBondContact OD1-N 3.4Å; N309-R312 HydrophobicContact CB-CB 4.49Å; N309-R312 HydrophobicContact CB-CG 4.14Å; N309-R312 PolarHBondContact O-N 2.87Å; N309-F313 WeakPolarHBondContact O-CD2 3.21Å
310	P	96.9	Very high	97.4	Very high	33 Å²	33	30.1 Å²	30.1	21%	0.214	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-53.4	-28.7	177.8	-24.9	33.7	0	0	0	114.7	Y291 F297 V303 R312 F313	Y291-P310 HydrophobicContact CE1-CB 3.99Å; Y291-P310 PolarHBondContact OH-O 3.32Å; Y291-P310 VanDerWaalsContact OH-O 3.09Å; F297-P310 HydrophobicContact CB-CB 4.33Å; F297-P310 HydrophobicContact CB-CG 3.78Å; F297-P310 HydrophobicContact CD1-CB 3.82Å; F297-P310 HydrophobicContact CD1-CG 3.62Å; F297-P310 HydrophobicContact CD2-CB 4.44Å; F297-P310 HydrophobicContact CE1-CB 4.2Å; F297-P310 HydrophobicContact CE1-CG 4.4Å; F297-P310 HydrophobicContact CG-CB 3.94Å; F297-P310 HydrophobicContact CG-CG 3.8Å; V303-P310 HydrophobicContact CG1-CG 4.44Å; V303-P310 HydrophobicContact CG2-CG 4.33Å; P310-R312 VanDerWaalsContact C-N 3.26Å; P310-R312 PolarHBondContact O-N 3.08Å; P310-F313 PolarHBondContact O-N 3.49Å
311	E	96.4	Very high	97.4	Very high	146 Å²	146	29.4 Å²	29.4	68%	0.682	15%	0.145	S	C	*	.	G	3₁₀ helix	trans	-75.1	-12.3	178.1	-60	-175.5	161.2	0	0	113.6	N309 W369	N309-E311 PolarHBondContact O-N 3.3Å; N309-E311 VanDerWaalsContact O-N 3.08Å; N309-E311 WeakPolarHBondContact OD1-CB 3.45Å; N309-E311 PolarHBondContact OD1-N 3.4Å; E311-W369 WeakPolarHBondContact O-CA 3.41Å
312	R	96.9	Very high	97.4	Very high	61 Å²	61	28.3 Å²	28.3	23%	0.23	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-97.5	5.6	176	-63.5	-161.4	74.1	-179	-2	113.2	G230 P241 L242 G244 G245 N309 P310	G230-R312 PolarHBondContact O-NH2 3.49Å; P241-R312 HydrophobicContact CB-CB 4.27Å; P241-R312 WeakPolarHBondContact CB-O 3.1Å; P241-R312 WeakPolarHBondContact CG-O 3.4Å; L242-R312 WeakPolarHBondContact O-CD 3.45Å; L242-R312 PolarHBondContact O-NE 3.13Å; L242-R312 PolarHBondContact O-NH1 3.41Å; L242-R312 PolarHBondContact O-NH2 3.33Å; G244-R312 WeakPolarHBondContact CA-O 3.05Å; G245-R312 PolarHBondContact N-O 2.79Å; N309-R312 HydrophobicContact CB-CB 4.49Å; N309-R312 HydrophobicContact CB-CG 4.14Å; N309-R312 PolarHBondContact O-N 2.87Å; P310-R312 VanDerWaalsContact C-N 3.26Å; P310-R312 PolarHBondContact O-N 3.08Å
313	F	97.9	Very high	97.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	146	173.1	-79	-99.2	0	0	0	111.2	P69 V72 G244 G245 S247 Y291 F297 I308 N309 P310 G368 W369	P69-F313 HydrophobicContact CB-CD1 3.91Å; P69-F313 HydrophobicContact CB-CE1 3.53Å; P69-F313 HydrophobicContact CG-CD1 4.16Å; P69-F313 HydrophobicContact CG-CE1 3.59Å; P69-F313 HydrophobicContact CG-CZ 4.17Å; V72-F313 HydrophobicContact CG1-CZ 4.26Å; V72-F313 HydrophobicContact CG2-CE1 4.08Å; V72-F313 HydrophobicContact CG2-CZ 4.18Å; G244-F313 VanDerWaalsContact O-CZ 3.3Å; G244-F313 WeakPolarHBondContact O-CZ 3.36Å; G245-F313 CarbonylContact O-C 3.56Å; G245-F313 VanDerWaalsContact O-CA 3.3Å; G245-F313 WeakPolarHBondContact O-CA 3.14Å; S247-F313 WeakPolarHBondContact OG-CB 3.45Å; Y291-F313 WeakPolarHBondContact OH-CB 3.31Å; F297-F313 HydrophobicContact CE1-CD1 4.47Å; F297-F313 AromaticContact CE1-CD2 3.73Å; F297-F313 HydrophobicContact CE1-CD2 3.73Å; F297-F313 HydrophobicContact CE1-CE1 4.37Å; F297-F313 AromaticContact CE1-CE2 3.6Å; F297-F313 HydrophobicContact CE1-CE2 3.6Å; F297-F313 HydrophobicContact CE1-CG 4.18Å; F297-F313 AromaticContact CE1-CZ 3.94Å; F297-F313 HydrophobicContact CE1-CZ 3.94Å; F297-F313 HydrophobicContact CZ-CD1 4.37Å; F297-F313 HydrophobicContact CZ-CD2 4.14Å; F297-F313 HydrophobicContact CZ-CE2 4.37Å; F297-F313 HydrophobicContact CZ-CG 4.15Å; I308-F313 HydrophobicContact CB-CE2 4.16Å; I308-F313 HydrophobicContact CB-CZ 4.46Å; I308-F313 HydrophobicContact CD1-CE2 4.24Å; I308-F313 HydrophobicContact CD1-CZ 4.12Å; I308-F313 HydrophobicContact CG1-CE2 4.5Å; N309-F313 WeakPolarHBondContact O-CD2 3.21Å; P310-F313 PolarHBondContact O-N 3.49Å; F313-G368 CarbonylContact O-C 3.5Å; F313-G368 VanDerWaalsContact O-CA 3.31Å; F313-G368 WeakPolarHBondContact O-CA 3.39Å; F313-W369 PolarHBondContact O-N 3.09Å
314	V	97.4	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.1	179.1	-67.5	0	0	0	0	111.4	L240 P241 G245 G246 S247 W369 M374	L240-V314 HydrophobicContact CD2-CG2 3.43Å; L240-V314 VanDerWaalsContact CD2-CG2 3.43Å; P241-V314 HydrophobicContact CG-CG1 4.27Å; G245-V314 WeakPolarHBondContact O-CG2 3.38Å; G245-V314 PolarHBondContact O-N 3.23Å; G246-V314 CarbonylContact C-O 3.5Å; G246-V314 VanDerWaalsContact CA-O 3.29Å; G246-V314 WeakPolarHBondContact CA-O 3.21Å; S247-V314 PolarHBondContact N-O 2.87Å; V314-W369 HydrophobicContact CG1-CB 3.37Å; V314-W369 HydrophobicContact CG1-CE3 4.43Å; V314-W369 HydrophobicContact CG1-CG 4.46Å; V314-M374 HydrophobicContact CB-CG 4.16Å; V314-M374 HydrophobicContact CB-SD 4.24Å; V314-M374 HydrophobicContact CG1-CG 4.1Å; V314-M374 HydrophobicContact CG1-SD 3.9Å; V314-M374 HydrophobicContact CG2-CG 4.29Å; V314-M374 HydrophobicContact CG2-SD 3.94Å
315	P	97.9	Very high	97.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	137.8	160.3	27.9	-27.3	0	0	0	109.6	T248 I283 V365 Y367 A373 M374	T248-P315 HydrophobicContact CG2-CB 4.12Å; I283-P315 HydrophobicContact CG2-CB 3.35Å; I283-P315 HydrophobicContact CG2-CG 3.73Å; P315-V365 HydrophobicContact CG-CG2 3.94Å; P315-Y367 VanDerWaalsContact CD-O 3.3Å; P315-Y367 WeakPolarHBondContact CD-O 3.14Å; P315-Y367 WeakPolarHBondContact CG-O 3.4Å; P315-A373 HydrophobicContact CG-CB 3.99Å; P315-A373 CarbonylContact O-C 3.58Å; P315-A373 VanDerWaalsContact O-CA 3.27Å; P315-A373 WeakPolarHBondContact O-CA 3.49Å; P315-M374 PolarHBondContact O-N 3.3Å
316	M	98	Very high	97.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.6	175.7	-66.8	-176.1	-73.7	0	0	109.6	Y71 N238 L240 T248 L249 V250 M374 H376	Y71-M316 HydrophobicContact CD2-CE 4.15Å; Y71-M316 HydrophobicContact CE2-CE 4.21Å; N238-M316 HydrophobicContact CB-SD 4.22Å; N238-M316 PolarHBondContact OD1-SD 3.04Å; L240-M316 HydrophobicContact CD2-CG 4.27Å; L240-M316 HydrophobicContact CD2-SD 3.91Å; T248-M316 PolarHBondContact O-N 3.16Å; L249-M316 HydrophobicContact CB-CB 4.32Å; L249-M316 HydrophobicContact CB-CE 4.12Å; L249-M316 HydrophobicContact CD1-CB 3.57Å; L249-M316 HydrophobicContact CG-CB 4.49Å; V250-M316 PolarHBondContact N-O 2.96Å; M316-M374 WeakPolarHBondContact CA-O 3.43Å; M316-H376 HydrophobicContact CB-CB 4.34Å
317	F	98.1	Very high	97.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	98.1	174.4	-169.6	-73	0	0	0	108.1	L252 C276 Q279 I280 I283 L356 F359 V360 A373 M374 L375 H376	L252-F317 HydrophobicContact CD1-CE1 3.88Å; L252-F317 HydrophobicContact CD1-CZ 4.04Å; L252-F317 HydrophobicContact CG-CE1 4.26Å; L252-F317 HydrophobicContact CG-CZ 4.41Å; C276-F317 HydrophobicContact CB-CZ 4.02Å; Q279-F317 HydrophobicContact CB-CE2 3.78Å; Q279-F317 HydrophobicContact CB-CZ 4.06Å; Q279-F317 HydrophobicContact CG-CD2 3.9Å; Q279-F317 HydrophobicContact CG-CE2 3.6Å; Q279-F317 HydrophobicContact CG-CZ 4.03Å; Q279-F317 VanDerWaalsContact NE2-CD2 3.33Å; I280-F317 HydrophobicContact CD1-CD2 3.83Å; I280-F317 HydrophobicContact CD1-CE2 4.02Å; I280-F317 HydrophobicContact CG1-CD2 4.4Å; I280-F317 HydrophobicContact CG1-CE2 4.08Å; I283-F317 HydrophobicContact CD1-CB 4.42Å; I283-F317 HydrophobicContact CD1-CD2 3.99Å; F317-L356 HydrophobicContact CE1-CD2 4.13Å; F317-F359 HydrophobicContact CE2-CD1 4.43Å; F317-F359 HydrophobicContact CE2-CE1 4.19Å; F317-F359 HydrophobicContact CZ-CD1 4.48Å; F317-V360 HydrophobicContact CB-CG2 3.87Å; F317-V360 HydrophobicContact CD1-CG2 3.77Å; F317-V360 HydrophobicContact CD2-CG2 3.94Å; F317-V360 HydrophobicContact CE1-CG2 4.3Å; F317-V360 HydrophobicContact CE2-CG2 4.44Å; F317-V360 HydrophobicContact CG-CG2 3.57Å; F317-A373 HydrophobicContact CB-CB 4.19Å; F317-M374 PolarHBondContact N-O 3.23Å; F317-L375 HydrophobicContact CD1-CD1 3.73Å; F317-L375 HydrophobicContact CE1-CD1 4.41Å; F317-L375 CarbonylContact O-C 3.58Å; F317-L375 WeakPolarHBondContact O-CA 3.4Å; F317-H376 PolarHBondContact O-N 3.19Å
318	G	97.5	Very high	97.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	158.9	-174.8	0	0	0	0	0	114.3	V250 R251 L252 Q279 H376	V250-G318 WeakPolarHBondContact O-CA 3.47Å; V250-G318 PolarHBondContact O-N 3.11Å; R251-G318 VanDerWaalsContact CA-O 3.24Å; R251-G318 WeakPolarHBondContact CA-O 3.45Å; L252-G318 PolarHBondContact N-O 3.19Å; Q279-G318 PolarHBondContact NE2-O 2.93Å; Q279-G318 VanDerWaalsContact NE2-O 3.14Å; G318-H376 CarbonylContact C-O 3.51Å; G318-H376 VanDerWaalsContact CA-O 3.24Å; G318-H376 WeakPolarHBondContact CA-O 3.4Å
319	M	97.5	Very high	97.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	157	163.4	62.1	78.9	99.2	0	0	110.6	L252 L254 L322 L356 H376 A377 Q378 Y415	L252-M319 HydrophobicContact CB-CB 4.44Å; L252-M319 WeakPolarHBondContact O-CA 3.44Å; L254-M319 HydrophobicContact CD1-CB 4.15Å; L254-M319 HydrophobicContact CD1-CE 3.28Å; L254-M319 HydrophobicContact CD1-CG 4.45Å; L254-M319 HydrophobicContact CD1-SD 4.15Å; L254-M319 HydrophobicContact CG-CB 4.27Å; M319-L322 HydrophobicContact CE-CB 3.86Å; M319-L322 HydrophobicContact CE-CD1 3.8Å; M319-L322 HydrophobicContact CE-CD2 4.23Å; M319-L322 HydrophobicContact CE-CG 4.17Å; M319-L356 HydrophobicContact CB-CD1 4.15Å; M319-L356 HydrophobicContact CE-CD1 4.29Å; M319-L356 HydrophobicContact CG-CD1 3.92Å; M319-H376 PolarHBondContact N-O 3.28Å; M319-A377 HydrophobicContact SD-CB 4.17Å; M319-Q378 PolarHBondContact O-N 3.44Å; M319-Y415 HydrophobicContact CE-CE1 4.38Å; M319-Y415 WeakPolarHBondContact CE-OH 3.32Å; M319-Y415 HydrophobicContact CG-CE1 3.68Å; M319-Y415 HydrophobicContact SD-CE1 4.03Å
320	Y	95.7	Very high	97.2	Very high	13 Å²	13	16.9 Å²	16.9	5%	0.051	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	171.1	168	76.8	-73.1	0	0	0	110.8	R251 L252 N253 L254 D384 T387	R251-Y320 HydrophobicContact CG-CD1 4.13Å; R251-Y320 HydrophobicContact CG-CE1 4.3Å; L252-Y320 WeakPolarHBondContact O-CD1 3.45Å; L252-Y320 PolarHBondContact O-N 3.42Å; N253-Y320 VanDerWaalsContact CA-CE1 3.47Å; N253-Y320 HydrophobicContact CB-CE1 3.61Å; N253-Y320 WeakPolarHBondContact CB-OH 3.32Å; N253-Y320 VanDerWaalsContact CG-OH 3.28Å; N253-Y320 PolarHBondContact ND2-OH 2.72Å; N253-Y320 VanDerWaalsContact ND2-OH 3.09Å; L254-Y320 WeakPolarHBondContact CB-O 3.45Å; L254-Y320 WeakPolarHBondContact CG-O 3.4Å; L254-Y320 PolarHBondContact N-O 3.4Å; Y320-D384 HydrophobicContact CD2-CB 4.49Å; Y320-D384 HydrophobicContact CE2-CB 4.05Å; Y320-T387 HydrophobicContact CE2-CG2 4.03Å; Y320-T387 WeakPolarHBondContact CE2-OG1 3.48Å
321	G	95.1	Very high	97.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.102	C	C	.	.			trans	76.2	28.7	178.2	0	0	0	0	0	113.6	A323 E324 A325 T388	G321-A323 PolarHBondContact O-N 3Å; G321-E324 WeakPolarHBondContact CA-OE2 3.42Å; G321-E324 PolarHBondContact O-N 3.27Å; G321-A325 WeakPolarHBondContact O-CB 3.27Å; G321-A325 PolarHBondContact O-N 3.02Å; G321-A325 VanDerWaalsContact O-N 3.07Å; G321-T388 WeakPolarHBondContact CA-O 3.48Å; G321-T388 PolarHBondContact N-O 3.26Å
322	L	97.8	Very high	97.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.1	-47.2	-178.9	-175.8	66.3	0	0	0	111.6	L254 M319 E324 A325 V326 I352 G390 A391 H411	L254-L322 HydrophobicContact CD1-CB 4.26Å; L254-L322 HydrophobicContact CD1-CD1 3.87Å; M319-L322 HydrophobicContact CE-CB 3.86Å; M319-L322 HydrophobicContact CE-CD1 3.8Å; M319-L322 HydrophobicContact CE-CD2 4.23Å; M319-L322 HydrophobicContact CE-CG 4.17Å; L322-E324 VanDerWaalsContact C-N 3.31Å; L322-E324 PolarHBondContact O-N 3.06Å; L322-A325 PolarHBondContact O-N 3.18Å; L322-V326 HydrophobicContact CD1-CG2 4.19Å; L322-V326 HydrophobicContact CG-CG2 4.23Å; L322-V326 VanDerWaalsContact O-CG2 3.32Å; L322-V326 WeakPolarHBondContact O-CG2 3.01Å; L322-V326 PolarHBondContact O-N 2.6Å; L322-I352 HydrophobicContact CD1-CB 3.88Å; L322-I352 HydrophobicContact CD1-CD1 3.76Å; L322-I352 HydrophobicContact CD1-CG1 4.39Å; L322-I352 HydrophobicContact CD1-CG2 3.75Å; L322-G390 VanDerWaalsContact CB-O 3.3Å; L322-G390 WeakPolarHBondContact CB-O 3.17Å; L322-G390 PolarHBondContact N-O 3.13Å; L322-A391 HydrophobicContact CD2-CB 3.57Å; L322-H411 VanDerWaalsContact CD2-CE1 3.5Å; L322-H411 WeakPolarHBondContact CD2-CE1 3.32Å
323	A	95.7	Very high	96.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.4	-43.9	-176	0	0	0	0	0	111.8	G321 N327 Y339 P394	G321-A323 PolarHBondContact O-N 3Å; A323-N327 WeakPolarHBondContact O-CB 3.34Å; A323-N327 PolarHBondContact O-N 2.96Å; A323-N327 PolarHBondContact O-ND2 3.43Å; A323-Y339 HydrophobicContact CB-CD1 3.57Å; A323-Y339 HydrophobicContact CB-CE1 4.21Å; A323-Y339 HydrophobicContact CB-CG 4.48Å; A323-P394 HydrophobicContact CB-CG 3.63Å
324	E	96.4	Very high	96.7	Very high	35 Å²	35	23.3 Å²	23.3	16%	0.164	13%	0.127	C	C	.	.	H	α-helix	trans	-69.9	-39.5	178.8	-65.8	72.1	-149	0	0	111.8	K255 G321 L322 N327 L328 T387 T388	K255-E324 HydrophobicContact CB-CB 3.95Å; K255-E324 HydrophobicContact CD-CB 3.9Å; K255-E324 HydrophobicContact CD-CG 4.26Å; K255-E324 HydrophobicContact CG-CB 3.88Å; G321-E324 WeakPolarHBondContact CA-OE2 3.42Å; G321-E324 PolarHBondContact O-N 3.27Å; L322-E324 VanDerWaalsContact C-N 3.31Å; L322-E324 PolarHBondContact O-N 3.06Å; E324-N327 PolarHBondContact O-N 3.46Å; E324-L328 VanDerWaalsContact O-CB 3.27Å; E324-L328 WeakPolarHBondContact O-CB 3.29Å; E324-L328 PolarHBondContact O-N 3.28Å; E324-T387 WeakPolarHBondContact OE2-CA 3.15Å; E324-T388 WeakPolarHBondContact OE1-CB 3.37Å; E324-T388 PolarHBondContact OE1-N 3.42Å; E324-T388 PolarHBondContact OE1-OG1 3.1Å; E324-T388 PolarHBondContact OE2-N 3.09Å
325	A	98.1	Very high	96.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.2	-49.5	174.8	0	0	0	0	0	111.5	L254 A258 G321 L322 N327 L328 L329	L254-A325 HydrophobicContact CB-CB 3.66Å; L254-A325 WeakPolarHBondContact O-CB 3.25Å; A258-A325 HydrophobicContact CB-CB 3.95Å; G321-A325 WeakPolarHBondContact O-CB 3.27Å; G321-A325 PolarHBondContact O-N 3.02Å; G321-A325 VanDerWaalsContact O-N 3.07Å; L322-A325 PolarHBondContact O-N 3.18Å; A325-N327 PolarHBondContact O-N 3.46Å; A325-L328 PolarHBondContact O-N 3.47Å; A325-L329 WeakPolarHBondContact O-CB 3.12Å; A325-L329 WeakPolarHBondContact O-CG 3.44Å; A325-L329 PolarHBondContact O-N 3.14Å
326	V	98.4	Very high	96.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.4	-51.2	177.9	169.5	0	0	0	0	111	L322 L328 L329 C330 Y339 A345 V348 G349 I352	L322-V326 HydrophobicContact CD1-CG2 4.19Å; L322-V326 HydrophobicContact CG-CG2 4.23Å; L322-V326 VanDerWaalsContact O-CG2 3.32Å; L322-V326 WeakPolarHBondContact O-CG2 3.01Å; L322-V326 PolarHBondContact O-N 2.6Å; V326-L328 VanDerWaalsContact C-N 3.3Å; V326-L328 PolarHBondContact O-N 2.83Å; V326-L329 PolarHBondContact O-N 3.31Å; V326-C330 PolarHBondContact O-N 2.99Å; V326-C330 PolarHBondContact O-SG 3.41Å; V326-C330 VanDerWaalsContact O-SG 3.4Å; V326-Y339 HydrophobicContact CB-CG 4.45Å; V326-Y339 HydrophobicContact CG1-CD2 4.24Å; V326-Y339 HydrophobicContact CG1-CG 4.33Å; V326-Y339 HydrophobicContact CG2-CD2 4.44Å; V326-A345 HydrophobicContact CG1-CB 3.9Å; V326-A345 WeakPolarHBondContact CG1-O 3.43Å; V326-V348 HydrophobicContact CG1-CB 4.2Å; V326-V348 HydrophobicContact CG1-CG1 4.41Å; V326-V348 HydrophobicContact CG2-CG1 4.29Å; V326-G349 VanDerWaalsContact CG2-CA 3.48Å; V326-I352 HydrophobicContact CG2-CD1 3.94Å
327	N	96.6	Very high	95.7	Very high	31 Å²	31	31.1 Å²	31.1	17%	0.166	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-42.8	-178.4	-69.8	-27.1	0	0	0	111.6	A323 E324 A325 C330 E331 R338 Y339	A323-N327 WeakPolarHBondContact O-CB 3.34Å; A323-N327 PolarHBondContact O-N 2.96Å; A323-N327 PolarHBondContact O-ND2 3.43Å; E324-N327 PolarHBondContact O-N 3.46Å; A325-N327 PolarHBondContact O-N 3.46Å; N327-C330 PolarHBondContact O-N 2.85Å; N327-E331 WeakPolarHBondContact O-CB 3.32Å; N327-E331 PolarHBondContact O-N 3.49Å; N327-R338 VanDerWaalsContact OD1-CA 3.28Å; N327-R338 WeakPolarHBondContact OD1-CA 3.31Å; N327-Y339 PolarHBondContact OD1-N 3.25Å
328	L	97.3	Very high	95.5	Very high	36 Å²	36	34.3 Å²	34.3	19%	0.188	19%	0.194	C	C	.	.	H	α-helix	trans	-67.7	-38.4	179.1	-175.7	63.5	0	0	0	112.4	A258 E259 E324 A325 V326 E331 K332	A258-L328 HydrophobicContact CB-CD2 4Å; E259-L328 HydrophobicContact CB-CD2 4.16Å; E259-L328 HydrophobicContact CG-CD2 3.48Å; E259-L328 VanDerWaalsContact CG-CD2 3.48Å; E324-L328 VanDerWaalsContact O-CB 3.27Å; E324-L328 WeakPolarHBondContact O-CB 3.29Å; E324-L328 PolarHBondContact O-N 3.28Å; A325-L328 PolarHBondContact O-N 3.47Å; V326-L328 VanDerWaalsContact C-N 3.3Å; V326-L328 PolarHBondContact O-N 2.83Å; L328-E331 PolarHBondContact O-N 3.34Å; L328-K332 WeakPolarHBondContact O-CG 3.46Å; L328-K332 PolarHBondContact O-N 3.27Å
329	L	98	Very high	95.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68.5	-40.4	176.5	-68	169.1	0	0	0	111.5	A258 F267 A325 V326 E331 K332 E333 V348 I352	A258-L329 HydrophobicContact CB-CD1 4.44Å; A258-L329 HydrophobicContact CB-CD2 4.17Å; A258-L329 HydrophobicContact CB-CG 4.03Å; F267-L329 HydrophobicContact CB-CD1 4.2Å; F267-L329 HydrophobicContact CB-CD2 3.6Å; F267-L329 HydrophobicContact CD1-CD1 3.83Å; F267-L329 HydrophobicContact CD2-CD1 3.79Å; F267-L329 HydrophobicContact CD2-CD2 3.89Å; F267-L329 HydrophobicContact CD2-CG 4.37Å; F267-L329 HydrophobicContact CE1-CD1 4.14Å; F267-L329 HydrophobicContact CE2-CD1 4.09Å; F267-L329 HydrophobicContact CG-CD1 3.66Å; F267-L329 HydrophobicContact CG-CD2 3.84Å; F267-L329 HydrophobicContact CG-CG 4.39Å; F267-L329 HydrophobicContact CZ-CD1 4.25Å; A325-L329 WeakPolarHBondContact O-CB 3.12Å; A325-L329 WeakPolarHBondContact O-CG 3.44Å; A325-L329 PolarHBondContact O-N 3.14Å; V326-L329 PolarHBondContact O-N 3.31Å; L329-E331 VanDerWaalsContact C-N 3.33Å; L329-E331 PolarHBondContact O-N 3.49Å; L329-K332 PolarHBondContact O-N 3.14Å; L329-E333 PolarHBondContact O-N 2.9Å; L329-V348 HydrophobicContact CD1-CG1 4.42Å; L329-I352 HydrophobicContact CD1-CD1 4.27Å
330	C	97.1	Very high	95	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-43.6	172.5	-72.4	0	0	0	0	111.3	V326 N327 K332 E333 G334 I335	V326-C330 PolarHBondContact O-N 2.99Å; V326-C330 PolarHBondContact O-SG 3.41Å; V326-C330 VanDerWaalsContact O-SG 3.4Å; N327-C330 PolarHBondContact O-N 2.85Å; C330-K332 PolarHBondContact O-N 3.26Å; C330-E333 PolarHBondContact O-N 3.41Å; C330-G334 PolarHBondContact O-N 2.96Å; C330-I335 HydrophobicContact CB-CB 4.1Å; C330-I335 PolarHBondContact O-N 2.8Å
331	E	95.8	Very high	94.7	Very high	143 Å²	143	39.1 Å²	39.1	67%	0.668	22%	0.217	S	C	*	.	H	α-helix	trans	-59.3	-45.7	175.8	-176.7	179.5	-179.8	0	0	111.9	N327 L328 L329 E333 G334	N327-E331 WeakPolarHBondContact O-CB 3.32Å; N327-E331 PolarHBondContact O-N 3.49Å; L328-E331 PolarHBondContact O-N 3.34Å; L329-E331 VanDerWaalsContact C-N 3.33Å; L329-E331 PolarHBondContact O-N 3.49Å; E331-E333 PolarHBondContact O-N 2.8Å; E331-G334 PolarHBondContact O-N 2.98Å
332	K	95.4	Very high	94.7	Very high	76 Å²	76	43.1 Å²	43.1	33%	0.33	24%	0.236	S	C	.	.	H	α-helix	trans	-61.9	-30.2	178.5	-74.4	178.5	177.5	-172.1	0	113.6	A258 E259 S261 L328 L329 C330	A258-K332 PolarHBondContact O-NZ 2.73Å; E259-K332 PolarHBondContact O-NZ 2.92Å; E259-K332 VanDerWaalsContact O-NZ 3.07Å; S261-K332 PolarHBondContact O-NZ 3.18Å; L328-K332 WeakPolarHBondContact O-CG 3.46Å; L328-K332 PolarHBondContact O-N 3.27Å; L329-K332 PolarHBondContact O-N 3.14Å; C330-K332 PolarHBondContact O-N 3.26Å
333	E	94.3	Very high	94.4	Very high	89 Å²	89	46.6 Å²	46.6	42%	0.416	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-0	176.1	-67.2	-63.3	145.5	0	0	113.5	S263 L264 L329 C330 E331 I335	S263-E333 VanDerWaalsContact CB-OE1 3.31Å; S263-E333 WeakPolarHBondContact CB-OE1 3.18Å; L264-E333 HydrophobicContact CB-CG 3.49Å; L264-E333 VanDerWaalsContact CB-CG 3.49Å; L264-E333 WeakPolarHBondContact CB-OE1 3.44Å; L264-E333 HydrophobicContact CD1-CG 4.14Å; L264-E333 HydrophobicContact CG-CG 4.46Å; L264-E333 PolarHBondContact N-OE1 3.02Å; L329-E333 PolarHBondContact O-N 2.9Å; C330-E333 PolarHBondContact O-N 3.41Å; E331-E333 PolarHBondContact O-N 2.8Å; E333-I335 HydrophobicContact CB-CD1 3.78Å; E333-I335 HydrophobicContact CB-CG1 3.78Å; E333-I335 HydrophobicContact CG-CD1 4.47Å; E333-I335 PolarHBondContact O-N 2.89Å
334	G	92.3	Very high	94.4	Very high	67 Å²	67	49.2 Å²	49.2	69%	0.691	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	20.5	-174.4	0	0	0	0	0	113.9	C330 E331 A336	C330-G334 PolarHBondContact O-N 2.96Å; E331-G334 PolarHBondContact O-N 2.98Å; G334-A336 PolarHBondContact O-N 3.16Å
335	I	91.7	Very high	94.4	Very high	64 Å²	64	47.5 Å²	47.5	33%	0.328	28%	0.278	S	S	.	.			trans	-82.7	110.6	175.8	-55.4	170.6	0	0	0	107.9	C330 E333 A337 A344	C330-I335 HydrophobicContact CB-CB 4.1Å; C330-I335 PolarHBondContact O-N 2.8Å; E333-I335 HydrophobicContact CB-CD1 3.78Å; E333-I335 HydrophobicContact CB-CG1 3.78Å; E333-I335 HydrophobicContact CG-CD1 4.47Å; E333-I335 PolarHBondContact O-N 2.89Å; I335-A337 HydrophobicContact CG2-CB 3.7Å; I335-A337 PolarHBondContact O-N 3.18Å; I335-A344 HydrophobicContact CG2-CB 4.38Å
336	A	91	Very high	94.3	Very high	89 Å²	89	48.3 Å²	48.3	74%	0.736	28%	0.282	S	S	*	.			trans	-75.6	63.2	175.4	0	0	0	0	0	111.9	G334	G334-A336 PolarHBondContact O-N 3.16Å
337	A	90.4	Very high	94.3	Very high	10 Å²	10	54 Å²	54	8%	0.083	31%	0.308	C	S	.	.			trans	-137.8	149.4	-179.5	0	0	0	0	0	110.5	I335 E342 A344 A345	I335-A337 HydrophobicContact CG2-CB 3.7Å; I335-A337 PolarHBondContact O-N 3.18Å; A337-E342 HydrophobicContact CB-CB 3.84Å; A337-E342 HydrophobicContact CB-CG 4.37Å; A337-A344 HydrophobicContact CB-CB 4.22Å; A337-A345 HydrophobicContact CB-CB 3.83Å
338	R	92.8	Very high	94.4	Very high	68 Å²	68	53.1 Å²	53.1	26%	0.257	31%	0.305	S	S	.	.			trans	-127.7	141.9	178	-64	-172.2	68.7	-151.7	-7.9	110.8	N327 G340 K341 E342 A345 D397 R678	N327-R338 VanDerWaalsContact OD1-CA 3.28Å; N327-R338 WeakPolarHBondContact OD1-CA 3.31Å; R338-G340 PolarHBondContact O-N 3.46Å; R338-K341 HydrophobicContact CB-CB 4.38Å; R338-K341 HydrophobicContact CB-CG 4.37Å; R338-K341 PolarHBondContact O-N 2.84Å; R338-E342 PolarHBondContact N-OE2 3.1Å; R338-E342 PolarHBondContact O-N 2.97Å; R338-E342 VanDerWaalsContact O-N 3.16Å; R338-A345 WeakPolarHBondContact O-CB 3.34Å; R338-D397 IonicContact CZ-OD2 2.8Å; R338-D397 IonicContact NH1-OD2 2.79Å; R338-D397 PolarHBondContact NH1-OD2 3.3Å; R338-D397 IonicContact NH2-OD2 3.75Å; R338-D397 PolarHBondContact NH2-OD2 3.4Å; R338-R678 VanDerWaalsContact NH1-NH1 3.19Å
339	Y	94.2	Very high	94.4	Very high	6 Å²	6	51.4 Å²	51.4	2%	0.024	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	132.8	175.8	-174.6	-117.7	0	0	0	110.8	A323 V326 N327 K341 A391 L393 T407 H411	A323-Y339 HydrophobicContact CB-CD1 3.57Å; A323-Y339 HydrophobicContact CB-CE1 4.21Å; A323-Y339 HydrophobicContact CB-CG 4.48Å; V326-Y339 HydrophobicContact CB-CG 4.45Å; V326-Y339 HydrophobicContact CG1-CD2 4.24Å; V326-Y339 HydrophobicContact CG1-CG 4.33Å; V326-Y339 HydrophobicContact CG2-CD2 4.44Å; N327-Y339 PolarHBondContact OD1-N 3.25Å; Y339-K341 VanDerWaalsContact C-N 3.32Å; Y339-A391 PolarHBondContact OH-O 3.33Å; Y339-L393 HydrophobicContact CD1-CD2 3.8Å; Y339-L393 HydrophobicContact CE1-CD2 3.52Å; Y339-T407 HydrophobicContact CE2-CG2 4.45Å; Y339-H411 AromaticContact CE2-NE2 3.83Å; Y339-H411 AromaticContact CZ-NE2 3.68Å; Y339-H411 PolarHBondContact OH-CD2 3.26Å; Y339-H411 PolarHBondContact OH-NE2 3.43Å
340	G	91.3	Very high	94.4	Very high	6 Å²	6	53.2 Å²	53.2	6%	0.062	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-8.9	-174.8	0	0	0	0	0	115.5	R338 N346 L393	R338-G340 PolarHBondContact O-N 3.46Å; G340-N346 PolarHBondContact N-OD1 3.46Å; G340-L393 VanDerWaalsContact CA-CD2 3.45Å
341	K	90.1	Very high	94.5	Very high	102 Å²	102	58.9 Å²	58.9	44%	0.443	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-49	-173.7	-60.7	-55.8	-169.6	-164.6	0	112	R338 Y339 D397	R338-K341 HydrophobicContact CB-CB 4.38Å; R338-K341 HydrophobicContact CB-CG 4.37Å; R338-K341 PolarHBondContact O-N 2.84Å; Y339-K341 VanDerWaalsContact C-N 3.32Å; K341-D397 WeakPolarHBondContact CE-O 3.16Å; K341-D397 PolarHBondContact NZ-O 3.48Å
342	E	93.5	Very high	94.6	Very high	84 Å²	84	52 Å²	52	39%	0.393	29%	0.292	S	S	.	.			trans	-118.9	141.5	-178.4	-62.4	78.6	-163.5	0	0	112.3	A337 R338 A344 A345 N346	A337-E342 HydrophobicContact CB-CB 3.84Å; A337-E342 HydrophobicContact CB-CG 4.37Å; R338-E342 PolarHBondContact N-OE2 3.1Å; R338-E342 PolarHBondContact O-N 2.97Å; R338-E342 VanDerWaalsContact O-N 3.16Å; E342-A344 VanDerWaalsContact C-N 3.26Å; E342-A344 PolarHBondContact O-N 2.82Å; E342-A345 PolarHBondContact O-N 2.76Å; E342-A345 VanDerWaalsContact O-N 3.16Å; E342-N346 PolarHBondContact O-N 3.43Å; E342-N346 VanDerWaalsContact O-N 3.16Å
343	A	92.8	Very high	94.8	Very high	72 Å²	72	48.4 Å²	48.4	60%	0.595	28%	0.276	S	S	*	.	H	α-helix	trans	-56.2	-39.2	-178.4	0	0	0	0	0	112.8	A345 N346 E347	A343-A345 VanDerWaalsContact C-N 3.32Å; A343-A345 PolarHBondContact O-N 2.98Å; A343-N346 WeakPolarHBondContact O-CB 3.46Å; A343-N346 PolarHBondContact O-N 2.93Å; A343-N346 VanDerWaalsContact O-N 3.14Å; A343-E347 WeakPolarHBondContact O-CG 3.06Å; A343-E347 PolarHBondContact O-N 2.84Å
344	A	94.4	Very high	95	Very high	55 Å²	55	45.7 Å²	45.7	46%	0.455	27%	0.269	S	S	.	.	H	α-helix	trans	-59	-41.1	-179.9	0	0	0	0	0	112.8	I335 A337 E342 V348	I335-A344 HydrophobicContact CG2-CB 4.38Å; A337-A344 HydrophobicContact CB-CB 4.22Å; E342-A344 VanDerWaalsContact C-N 3.26Å; E342-A344 PolarHBondContact O-N 2.82Å; A344-V348 PolarHBondContact O-N 3.35Å
345	A	96.8	Very high	95.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-73.1	-37.5	176	0	0	0	0	0	111.7	V326 A337 R338 E342 A343 E347 V348 G349	V326-A345 HydrophobicContact CG1-CB 3.9Å; V326-A345 WeakPolarHBondContact CG1-O 3.43Å; A337-A345 HydrophobicContact CB-CB 3.83Å; R338-A345 WeakPolarHBondContact O-CB 3.34Å; E342-A345 PolarHBondContact O-N 2.76Å; E342-A345 VanDerWaalsContact O-N 3.16Å; A343-A345 VanDerWaalsContact C-N 3.32Å; A343-A345 PolarHBondContact O-N 2.98Å; A345-E347 VanDerWaalsContact C-N 3.31Å; A345-E347 PolarHBondContact O-N 3.49Å; A345-V348 WeakPolarHBondContact O-CB 3.39Å; A345-V348 PolarHBondContact O-N 3.1Å; A345-V348 VanDerWaalsContact O-N 3.17Å; A345-G349 PolarHBondContact O-N 3.15Å; A345-G349 VanDerWaalsContact O-N 3.13Å
346	N	96.7	Very high	95.6	Very high	17 Å²	17	41.6 Å²	41.6	9%	0.091	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-41.9	175.9	-65.5	-11.3	0	0	0	111.7	G340 E342 A343 V348 G349 Y350	G340-N346 PolarHBondContact N-OD1 3.46Å; E342-N346 PolarHBondContact O-N 3.43Å; E342-N346 VanDerWaalsContact O-N 3.16Å; A343-N346 WeakPolarHBondContact O-CB 3.46Å; A343-N346 PolarHBondContact O-N 2.93Å; A343-N346 VanDerWaalsContact O-N 3.14Å; N346-V348 VanDerWaalsContact C-N 3.3Å; N346-V348 PolarHBondContact O-N 2.96Å; N346-G349 WeakPolarHBondContact O-CA 3.48Å; N346-G349 PolarHBondContact O-N 2.99Å; N346-Y350 HydrophobicContact CB-CE2 3.92Å; N346-Y350 VanDerWaalsContact O-CD2 3.32Å; N346-Y350 WeakPolarHBondContact O-CD2 3.5Å; N346-Y350 VanDerWaalsContact O-CG 3.23Å; N346-Y350 PolarHBondContact O-N 2.77Å
347	E	97.6	Very high	96	Very high	118 Å²	118	38.2 Å²	38.2	55%	0.551	20%	0.203	S	C	*	.	H	α-helix	trans	-59.9	-37.3	175.4	-70.9	-54.1	136.8	0	0	112.9	A343 A345 Y350 R351	A343-E347 WeakPolarHBondContact O-CG 3.06Å; A343-E347 PolarHBondContact O-N 2.84Å; A345-E347 VanDerWaalsContact C-N 3.31Å; A345-E347 PolarHBondContact O-N 3.49Å; E347-Y350 PolarHBondContact O-N 2.86Å; E347-R351 WeakPolarHBondContact O-CB 3.44Å; E347-R351 PolarHBondContact O-N 2.81Å
348	V	98	Very high	96.3	Very high	14 Å²	14	43.6 Å²	43.6	9%	0.085	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-46.1	172.5	179	0	0	0	0	110.1	L264 F268 V326 L329 A344 A345 N346 Y350 R351 I352	L264-V348 HydrophobicContact CD1-CG1 4.28Å; L264-V348 HydrophobicContact CD1-CG2 3.88Å; F268-V348 HydrophobicContact CE2-CG1 4.41Å; F268-V348 HydrophobicContact CZ-CG1 4.42Å; V326-V348 HydrophobicContact CG1-CB 4.2Å; V326-V348 HydrophobicContact CG1-CG1 4.41Å; V326-V348 HydrophobicContact CG2-CG1 4.29Å; L329-V348 HydrophobicContact CD1-CG1 4.42Å; A344-V348 PolarHBondContact O-N 3.35Å; A345-V348 WeakPolarHBondContact O-CB 3.39Å; A345-V348 PolarHBondContact O-N 3.1Å; A345-V348 VanDerWaalsContact O-N 3.17Å; N346-V348 VanDerWaalsContact C-N 3.3Å; N346-V348 PolarHBondContact O-N 2.96Å; V348-Y350 PolarHBondContact O-N 2.86Å; V348-R351 WeakPolarHBondContact O-CB 3.4Å; V348-R351 PolarHBondContact O-N 3Å; V348-I352 HydrophobicContact CG1-CD1 4.44Å; V348-I352 WeakPolarHBondContact O-CG1 3.44Å; V348-I352 PolarHBondContact O-N 2.81Å
349	G	98.1	Very high	96.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.1	-43.5	176.5	0	0	0	0	0	113.1	V326 A345 N346 I352 S353 H411	V326-G349 VanDerWaalsContact CG2-CA 3.48Å; A345-G349 PolarHBondContact O-N 3.15Å; A345-G349 VanDerWaalsContact O-N 3.13Å; N346-G349 WeakPolarHBondContact O-CA 3.48Å; N346-G349 PolarHBondContact O-N 2.99Å; G349-I352 PolarHBondContact O-N 2.79Å; G349-S353 PolarHBondContact O-N 2.75Å; G349-S353 VanDerWaalsContact O-N 3.17Å; G349-S353 PolarHBondContact O-OG 2.78Å; G349-H411 VanDerWaalsContact C-CE1 3.49Å; G349-H411 PolarHBondContact O-CE1 2.8Å
350	Y	98.5	Very high	96.8	Very high	38 Å²	38	42 Å²	42	15%	0.149	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-42.7	176.9	-55.6	-31.4	0	0	0	111.2	N346 E347 V348 I352 S353 A354 T407 P410 H411	N346-Y350 HydrophobicContact CB-CE2 3.92Å; N346-Y350 VanDerWaalsContact O-CD2 3.32Å; N346-Y350 WeakPolarHBondContact O-CD2 3.5Å; N346-Y350 VanDerWaalsContact O-CG 3.23Å; N346-Y350 PolarHBondContact O-N 2.77Å; E347-Y350 PolarHBondContact O-N 2.86Å; V348-Y350 PolarHBondContact O-N 2.86Å; Y350-I352 VanDerWaalsContact C-N 3.31Å; Y350-I352 PolarHBondContact O-N 3.24Å; Y350-S353 PolarHBondContact O-N 3.31Å; Y350-S353 VanDerWaalsContact O-N 3.17Å; Y350-A354 WeakPolarHBondContact O-CB 3.23Å; Y350-A354 PolarHBondContact O-N 2.88Å; Y350-T407 WeakPolarHBondContact CE1-O 3.42Å; Y350-T407 PolarHBondContact OH-O 3.16Å; Y350-T407 VanDerWaalsContact OH-O 3.11Å; Y350-P410 HydrophobicContact CD1-CB 3.87Å; Y350-P410 HydrophobicContact CD1-CG 4.48Å; Y350-P410 HydrophobicContact CE1-CB 3.68Å; Y350-P410 HydrophobicContact CE1-CG 3.82Å; Y350-P410 HydrophobicContact CE2-CG 4.41Å; Y350-P410 HydrophobicContact CG-CB 4.43Å; Y350-H411 AromaticContact CD1-CE1 3.45Å; Y350-H411 VanDerWaalsContact CD1-CE1 3.45Å; Y350-H411 WeakPolarHBondContact CD1-CE1 3.48Å; Y350-H411 AromaticContact CD1-NE2 3.52Å; Y350-H411 AromaticContact CE1-CD2 4Å; Y350-H411 AromaticContact CE1-CE1 3.92Å; Y350-H411 AromaticContact CE1-NE2 3.48Å; Y350-H411 WeakPolarHBondContact CE1-NE2 3.28Å
351	R	98.4	Very high	97	Very high	118 Å²	118	44 Å²	44	45%	0.445	24%	0.237	S	C	.	.	H	α-helix	trans	-59.8	-39.9	176.2	-168.7	-174.5	167.9	-173	-4.6	112.2	F268 E347 V348 A354 Q355	F268-R351 HydrophobicContact CD1-CG 4.02Å; F268-R351 HydrophobicContact CE1-CB 3.92Å; F268-R351 HydrophobicContact CE1-CG 3.43Å; F268-R351 VanDerWaalsContact CE1-CG 3.43Å; F268-R351 HydrophobicContact CE2-CG 4.48Å; F268-R351 HydrophobicContact CZ-CB 3.85Å; F268-R351 HydrophobicContact CZ-CG 3.69Å; E347-R351 WeakPolarHBondContact O-CB 3.44Å; E347-R351 PolarHBondContact O-N 2.81Å; V348-R351 WeakPolarHBondContact O-CB 3.4Å; V348-R351 PolarHBondContact O-N 3Å; R351-A354 PolarHBondContact O-N 3.43Å; R351-Q355 WeakPolarHBondContact O-CB 3.45Å; R351-Q355 PolarHBondContact O-N 3.14Å
352	I	98.7	Very high	97.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-49.5	174.7	-64.4	174	0	0	0	110.3	L254 F267 F268 L272 L322 V326 L329 V348 G349 Y350 A354 Q355 L356	L254-I352 HydrophobicContact CD1-CG2 4.04Å; L254-I352 HydrophobicContact CD2-CG2 4.42Å; F267-I352 HydrophobicContact CE1-CD1 4.04Å; F267-I352 HydrophobicContact CE1-CG1 3.83Å; F267-I352 HydrophobicContact CZ-CD1 4.16Å; F267-I352 HydrophobicContact CZ-CG1 4.35Å; F268-I352 HydrophobicContact CE1-CG1 3.96Å; F268-I352 HydrophobicContact CZ-CG1 3.64Å; L272-I352 HydrophobicContact CD2-CG2 4.4Å; L322-I352 HydrophobicContact CD1-CB 3.88Å; L322-I352 HydrophobicContact CD1-CD1 3.76Å; L322-I352 HydrophobicContact CD1-CG1 4.39Å; L322-I352 HydrophobicContact CD1-CG2 3.75Å; V326-I352 HydrophobicContact CG2-CD1 3.94Å; L329-I352 HydrophobicContact CD1-CD1 4.27Å; V348-I352 HydrophobicContact CG1-CD1 4.44Å; V348-I352 WeakPolarHBondContact O-CG1 3.44Å; V348-I352 PolarHBondContact O-N 2.81Å; G349-I352 PolarHBondContact O-N 2.79Å; Y350-I352 VanDerWaalsContact C-N 3.31Å; Y350-I352 PolarHBondContact O-N 3.24Å; I352-A354 VanDerWaalsContact C-N 3.34Å; I352-A354 PolarHBondContact O-N 2.69Å; I352-Q355 PolarHBondContact O-N 2.77Å; I352-L356 HydrophobicContact CG2-CD1 3.98Å; I352-L356 HydrophobicContact CG2-CG 4.39Å; I352-L356 WeakPolarHBondContact O-CG 3.49Å; I352-L356 PolarHBondContact O-N 2.96Å
353	S	98.7	Very high	97.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.7	-40.3	-178.5	-61.7	0	0	0	0	112.2	G349 Y350 A357 H411 Y415	G349-S353 PolarHBondContact O-N 2.75Å; G349-S353 VanDerWaalsContact O-N 3.17Å; G349-S353 PolarHBondContact O-OG 2.78Å; Y350-S353 PolarHBondContact O-N 3.31Å; Y350-S353 VanDerWaalsContact O-N 3.17Å; S353-A357 WeakPolarHBondContact O-CB 3.23Å; S353-A357 PolarHBondContact O-N 2.68Å; S353-H411 PolarHBondContact OG-ND1 2.82Å; S353-Y415 PolarHBondContact OG-OH 3.48Å
354	A	98.7	Very high	97.7	Very high	31 Å²	31	42.9 Å²	42.9	26%	0.256	24%	0.235	S	C	.	.	H	α-helix	trans	-62.5	-46.6	175.9	0	0	0	0	0	112	Y350 R351 I352 A357 E358 Y414	Y350-A354 WeakPolarHBondContact O-CB 3.23Å; Y350-A354 PolarHBondContact O-N 2.88Å; R351-A354 PolarHBondContact O-N 3.43Å; I352-A354 VanDerWaalsContact C-N 3.34Å; I352-A354 PolarHBondContact O-N 2.69Å; A354-A357 PolarHBondContact O-N 2.96Å; A354-E358 WeakPolarHBondContact O-CB 3.18Å; A354-E358 PolarHBondContact O-N 3.04Å; A354-Y414 HydrophobicContact CB-CE1 4.02Å; A354-Y414 HydrophobicContact CB-CE2 4.44Å
355	Q	98.7	Very high	97.8	Very high	45 Å²	45	40.5 Å²	40.5	21%	0.21	22%	0.215	C	C	.	.	H	α-helix	trans	-65.5	-41.1	179.4	-172.1	-179	22.4	0	0	112.1	F268 R351 I352 A357 E358 F359	F268-Q355 PolarHBondContact O-NE2 3.39Å; R351-Q355 WeakPolarHBondContact O-CB 3.45Å; R351-Q355 PolarHBondContact O-N 3.14Å; I352-Q355 PolarHBondContact O-N 2.77Å; Q355-A357 VanDerWaalsContact C-N 3.32Å; Q355-A357 PolarHBondContact O-N 3.01Å; Q355-E358 PolarHBondContact O-N 3.38Å; Q355-F359 WeakPolarHBondContact O-CB 3.43Å; Q355-F359 PolarHBondContact O-N 3.4Å
356	L	98.7	Very high	97.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.3	-44.5	175.3	-73.5	176.8	0	0	0	111.3	L252 L272 F317 M319 I352 F359 V360 L375	L252-L356 HydrophobicContact CD1-CD2 3.95Å; L272-L356 HydrophobicContact CD1-CD2 3.99Å; L272-L356 HydrophobicContact CD2-CD2 4.25Å; L272-L356 HydrophobicContact CD2-CG 4.44Å; L272-L356 HydrophobicContact CG-CD2 4.4Å; F317-L356 HydrophobicContact CE1-CD2 4.13Å; M319-L356 HydrophobicContact CB-CD1 4.15Å; M319-L356 HydrophobicContact CE-CD1 4.29Å; M319-L356 HydrophobicContact CG-CD1 3.92Å; I352-L356 HydrophobicContact CG2-CD1 3.98Å; I352-L356 HydrophobicContact CG2-CG 4.39Å; I352-L356 WeakPolarHBondContact O-CG 3.49Å; I352-L356 PolarHBondContact O-N 2.96Å; L356-F359 PolarHBondContact O-N 3.23Å; L356-V360 WeakPolarHBondContact O-CG2 3.49Å; L356-V360 PolarHBondContact O-N 2.9Å; L356-L375 HydrophobicContact CB-CD1 3.86Å; L356-L375 HydrophobicContact CB-CD2 3.98Å
357	A	98.3	Very high	97.6	Very high	19 Å²	19	47.3 Å²	47.3	16%	0.157	24%	0.243	C	C	.	.	H	α-helix	trans	-64.8	-42.8	177.9	0	0	0	0	0	112.3	S353 A354 Q355 V360 A361 L375 Y414	S353-A357 WeakPolarHBondContact O-CB 3.23Å; S353-A357 PolarHBondContact O-N 2.68Å; A354-A357 PolarHBondContact O-N 2.96Å; Q355-A357 VanDerWaalsContact C-N 3.32Å; Q355-A357 PolarHBondContact O-N 3.01Å; A357-V360 PolarHBondContact O-N 3.16Å; A357-A361 VanDerWaalsContact O-CB 3.22Å; A357-A361 WeakPolarHBondContact O-CB 3.31Å; A357-A361 PolarHBondContact O-N 2.86Å; A357-L375 HydrophobicContact CB-CD2 3.97Å; A357-Y414 HydrophobicContact CB-CD1 3.54Å; A357-Y414 HydrophobicContact CB-CE1 4.48Å; A357-Y414 HydrophobicContact CB-CG 4.09Å
358	E	98.3	Very high	97.5	Very high	123 Å²	123	42.3 Å²	42.3	58%	0.575	22%	0.223	S	C	*	.	H	α-helix	trans	-61	-46.3	175.3	-177	177.7	-166.9	0	0	111.3	A354 Q355 V360 A361 N362	A354-E358 WeakPolarHBondContact O-CB 3.18Å; A354-E358 PolarHBondContact O-N 3.04Å; Q355-E358 PolarHBondContact O-N 3.38Å; E358-V360 PolarHBondContact O-N 3.2Å; E358-A361 PolarHBondContact O-N 2.98Å; E358-N362 WeakPolarHBondContact CG-ND2 3.37Å; E358-N362 WeakPolarHBondContact O-CB 3.41Å; E358-N362 PolarHBondContact O-N 2.96Å; E358-N362 PolarHBondContact O-ND2 3.14Å; E358-N362 VanDerWaalsContact O-ND2 3.15Å
359	F	98.4	Very high	97.4	Very high	32 Å²	32	43.8 Å²	43.8	14%	0.14	23%	0.227	C	C	.	.	H	α-helix	trans	-58.6	-50.1	177.1	-179.9	-85.9	0	0	0	111.5	C276 Q277 I280 F317 Q355 L356 A361 N362 T363	C276-F359 HydrophobicContact CB-CD1 3.7Å; C276-F359 HydrophobicContact CB-CD2 3.94Å; C276-F359 HydrophobicContact CB-CE1 3.52Å; C276-F359 HydrophobicContact CB-CE2 3.74Å; C276-F359 HydrophobicContact CB-CG 3.93Å; C276-F359 HydrophobicContact CB-CZ 3.53Å; Q277-F359 HydrophobicContact CG-CE2 4.16Å; Q277-F359 HydrophobicContact CG-CZ 4.15Å; I280-F359 HydrophobicContact CD1-CE1 4.43Å; I280-F359 HydrophobicContact CG1-CE1 3.75Å; I280-F359 HydrophobicContact CG1-CZ 4.25Å; F317-F359 HydrophobicContact CE2-CD1 4.43Å; F317-F359 HydrophobicContact CE2-CE1 4.19Å; F317-F359 HydrophobicContact CZ-CD1 4.48Å; Q355-F359 WeakPolarHBondContact O-CB 3.43Å; Q355-F359 PolarHBondContact O-N 3.4Å; L356-F359 PolarHBondContact O-N 3.23Å; F359-A361 VanDerWaalsContact C-N 3.35Å; F359-A361 PolarHBondContact O-N 3.3Å; F359-N362 PolarHBondContact O-N 3.13Å; F359-T363 HydrophobicContact CE1-CG2 4.32Å; F359-T363 HydrophobicContact CZ-CG2 4.33Å; F359-T363 VanDerWaalsContact O-CB 3.28Å; F359-T363 WeakPolarHBondContact O-CB 3.14Å; F359-T363 PolarHBondContact O-N 3.11Å; F359-T363 PolarHBondContact O-OG1 3.46Å
360	V	97.7	Very high	97.1	Very high	8 Å²	8	48.8 Å²	48.8	5%	0.048	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-39.6	-179.7	171.2	0	0	0	0	111.4	F317 L356 A357 E358 N362 A373 L375	F317-V360 HydrophobicContact CB-CG2 3.87Å; F317-V360 HydrophobicContact CD1-CG2 3.77Å; F317-V360 HydrophobicContact CD2-CG2 3.94Å; F317-V360 HydrophobicContact CE1-CG2 4.3Å; F317-V360 HydrophobicContact CE2-CG2 4.44Å; F317-V360 HydrophobicContact CG-CG2 3.57Å; L356-V360 WeakPolarHBondContact O-CG2 3.49Å; L356-V360 PolarHBondContact O-N 2.9Å; A357-V360 PolarHBondContact O-N 3.16Å; E358-V360 PolarHBondContact O-N 3.2Å; V360-N362 VanDerWaalsContact C-N 3.28Å; V360-N362 PolarHBondContact O-N 3.06Å; V360-A373 HydrophobicContact CG1-CB 4.27Å; V360-A373 WeakPolarHBondContact CG1-O 3.27Å; V360-L375 HydrophobicContact CG2-CB 4.46Å; V360-L375 HydrophobicContact CG2-CD1 4.09Å
361	A	95.6	Very high	97	Very high	47 Å²	47	53.9 Å²	53.9	39%	0.388	27%	0.273	S	S	.	.	H	α-helix	trans	-65	-32.9	178.2	0	0	0	0	0	112.8	A357 E358 F359	A357-A361 VanDerWaalsContact O-CB 3.22Å; A357-A361 WeakPolarHBondContact O-CB 3.31Å; A357-A361 PolarHBondContact O-N 2.86Å; E358-A361 PolarHBondContact O-N 2.98Å; F359-A361 VanDerWaalsContact C-N 3.35Å; F359-A361 PolarHBondContact O-N 3.3Å
362	N	96.9	Very high	96.8	Very high	117 Å²	117	53.1 Å²	53.1	63%	0.626	27%	0.271	S	S	*	.	H	α-helix	trans	-97.9	-1.6	-176	-68.6	-34.7	0	0	0	114.3	E358 F359 V360 P364	E358-N362 WeakPolarHBondContact CG-ND2 3.37Å; E358-N362 WeakPolarHBondContact O-CB 3.41Å; E358-N362 PolarHBondContact O-N 2.96Å; E358-N362 PolarHBondContact O-ND2 3.14Å; E358-N362 VanDerWaalsContact O-ND2 3.15Å; F359-N362 PolarHBondContact O-N 3.13Å; V360-N362 VanDerWaalsContact C-N 3.28Å; V360-N362 PolarHBondContact O-N 3.06Å; N362-P364 WeakPolarHBondContact O-CD 3.28Å
363	T	97.4	Very high	96.7	Very high	23 Å²	23	53.4 Å²	53.4	14%	0.141	27%	0.273	C	S	.	.	S	Bend	trans	-112.6	101.5	-179.6	-52.6	0	0	0	0	110.4	I280 F359	I280-T363 HydrophobicContact CD1-CG2 4.26Å; I280-T363 HydrophobicContact CG1-CG2 3.96Å; I280-T363 HydrophobicContact CG2-CG2 4.16Å; F359-T363 HydrophobicContact CE1-CG2 4.32Å; F359-T363 HydrophobicContact CZ-CG2 4.33Å; F359-T363 VanDerWaalsContact O-CB 3.28Å; F359-T363 WeakPolarHBondContact O-CB 3.14Å; F359-T363 PolarHBondContact O-N 3.11Å; F359-T363 PolarHBondContact O-OG1 3.46Å
364	P	96.6	Very high	96.7	Very high	96 Å²	96	54.1 Å²	54.1	62%	0.623	28%	0.277	S	S	*	.	B	Isolated β-bridge	trans	-67.5	144.2	177.7	-11.9	25.8	0	0	0	110.9	N362 K371	N362-P364 WeakPolarHBondContact O-CD 3.28Å; P364-K371 CarbonylContact C-O 3.5Å; P364-K371 VanDerWaalsContact CA-O 3.27Å; P364-K371 WeakPolarHBondContact CA-O 3.21Å
365	V	97	Very high	96.6	Very high	4 Å²	4	53 Å²	53	2%	0.024	27%	0.266	C	S	.	.			trans	-111.9	151	168.9	-62.4	0	0	0	0	109.7	I280 P315 K371 R372 A373	I280-V365 HydrophobicContact CD1-CG1 4.06Å; P315-V365 HydrophobicContact CG-CG2 3.94Å; V365-K371 PolarHBondContact N-O 2.75Å; V365-R372 VanDerWaalsContact CG2-C 3.41Å; V365-A373 HydrophobicContact CG1-CB 4.19Å
366	K	93.7	Very high	96.6	Very high	114 Å²	114	50.9 Å²	50.9	50%	0.496	26%	0.256	S	S	.	.	S	Bend	trans	-66.1	-39.8	-178.6	-176.1	175.7	173.7	-177.2	0	112.3	E288 Q292	E288-K366 IonicContact OE1-NZ 2.71Å; E288-K366 PolarHBondContact OE1-NZ 3.39Å; E288-K366 WeakPolarHBondContact OE2-CD 3.36Å; E288-K366 WeakPolarHBondContact OE2-CE 3.39Å; E288-K366 IonicContact OE2-NZ 3.41Å; E288-K366 PolarHBondContact OE2-NZ 2.9Å; Q292-K366 VanDerWaalsContact NE2-NZ 3.16Å
367	Y	95.8	Very high	96.4	Very high	46 Å²	46	50.9 Å²	50.9	18%	0.18	26%	0.257	C	S	.	.	S	Bend	trans	-121.5	108.1	-179.6	-61.6	-72	0	0	0	109.8	C287 E288 Y291 Q292 P315	C287-Y367 HydrophobicContact CB-CD2 4.11Å; C287-Y367 HydrophobicContact CB-CG 4.46Å; E288-Y367 HydrophobicContact CB-CE2 4.46Å; Y291-Y367 AromaticContact CD1-CD1 3.41Å; Y291-Y367 HydrophobicContact CD1-CD1 3.41Å; Y291-Y367 VanDerWaalsContact CD1-CD1 3.41Å; Y291-Y367 AromaticContact CD1-CE1 3.83Å; Y291-Y367 HydrophobicContact CD1-CE1 3.83Å; Y291-Y367 HydrophobicContact CD1-CG 4.07Å; Y291-Y367 HydrophobicContact CD2-CD1 4.11Å; Y291-Y367 HydrophobicContact CD2-CD2 4.43Å; Y291-Y367 AromaticContact CD2-CG 3.91Å; Y291-Y367 HydrophobicContact CD2-CG 3.91Å; Y291-Y367 AromaticContact CE1-CD1 3.84Å; Y291-Y367 HydrophobicContact CE1-CD1 3.84Å; Y291-Y367 HydrophobicContact CE1-CG 4.37Å; Y291-Y367 HydrophobicContact CE2-CD1 4.47Å; Y291-Y367 HydrophobicContact CE2-CG 4.23Å; Y291-Y367 AromaticContact CG-CD1 3.54Å; Y291-Y367 HydrophobicContact CG-CD1 3.54Å; Y291-Y367 HydrophobicContact CG-CD2 4.36Å; Y291-Y367 AromaticContact CG-CE1 3.9Å; Y291-Y367 HydrophobicContact CG-CE1 3.9Å; Y291-Y367 AromaticContact CG-CG 3.79Å; Y291-Y367 HydrophobicContact CG-CG 3.79Å; Q292-Y367 WeakPolarHBondContact CG-OH 3.43Å; Q292-Y367 PolarHBondContact NE2-OH 3.45Å; P315-Y367 VanDerWaalsContact CD-O 3.3Å; P315-Y367 WeakPolarHBondContact CD-O 3.14Å; P315-Y367 WeakPolarHBondContact CG-O 3.4Å
368	G	95.5	Very high	96.1	Very high	14 Å²	14	50.1 Å²	50.1	14%	0.144	25%	0.25	C	C	.	.	S	Bend	trans	176.6	146.2	178.1	0	0	0	0	0	110	F313 Q370 K371	F313-G368 CarbonylContact O-C 3.5Å; F313-G368 VanDerWaalsContact O-CA 3.31Å; F313-G368 WeakPolarHBondContact O-CA 3.39Å; G368-Q370 PolarHBondContact O-N 3.48Å; G368-K371 VanDerWaalsContact O-CA 3.28Å; G368-K371 WeakPolarHBondContact O-CA 3.45Å; G368-K371 PolarHBondContact O-N 2.87Å
369	W	95.3	Very high	95.2	Very high	44 Å²	44	44.6 Å²	44.6	17%	0.167	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-55.1	129	172.6	-179.3	60	0	0	0	109.6	F226 P241 E311 F313 V314 K371 R372 M374	F226-W369 HydrophobicContact CD1-CE3 4.5Å; F226-W369 HydrophobicContact CD1-CH2 4.05Å; F226-W369 AromaticContact CD1-CZ3 3.78Å; F226-W369 HydrophobicContact CD1-CZ3 3.78Å; F226-W369 HydrophobicContact CE1-CZ3 4.08Å; P241-W369 HydrophobicContact CG-CB 4.43Å; P241-W369 HydrophobicContact CG-CD2 4.04Å; P241-W369 HydrophobicContact CG-CE3 3.94Å; P241-W369 HydrophobicContact CG-CG 4.27Å; E311-W369 WeakPolarHBondContact O-CA 3.41Å; F313-W369 PolarHBondContact O-N 3.09Å; V314-W369 HydrophobicContact CG1-CB 3.37Å; V314-W369 HydrophobicContact CG1-CE3 4.43Å; V314-W369 HydrophobicContact CG1-CG 4.46Å; W369-K371 PolarHBondContact O-N 2.88Å; W369-R372 PolarHBondContact O-N 2.95Å; W369-M374 HydrophobicContact CE3-SD 4.49Å
370	Q	93.2	Very high	94	Very high	105 Å²	105	43.3 Å²	43.3	49%	0.491	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	57.3	25.1	-171.2	-51.9	179.7	-6.7	0	0	114.4	G368 R372	G368-Q370 PolarHBondContact O-N 3.48Å; Q370-R372 PolarHBondContact O-N 3.15Å
371	K	95.4	Very high	92.7	Very high	145 Å²	145	44.9 Å²	44.9	63%	0.63	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	56.3	32.5	-176.7	-55.9	-178.1	179.1	-179	0	113.1	P364 V365 G368 W369	P364-K371 CarbonylContact C-O 3.5Å; P364-K371 VanDerWaalsContact CA-O 3.27Å; P364-K371 WeakPolarHBondContact CA-O 3.21Å; V365-K371 PolarHBondContact N-O 2.75Å; G368-K371 VanDerWaalsContact O-CA 3.28Å; G368-K371 WeakPolarHBondContact O-CA 3.45Å; G368-K371 PolarHBondContact O-N 2.87Å; W369-K371 PolarHBondContact O-N 2.88Å
372	R	94.7	Very high	91	Very high	102 Å²	102	44.3 Å²	44.3	39%	0.385	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-130	147.3	-177.9	-71.3	-170.9	-73.7	-170.7	0.8	111.8	V365 W369 Q370	V365-R372 VanDerWaalsContact CG2-C 3.41Å; W369-R372 PolarHBondContact O-N 2.95Å; Q370-R372 PolarHBondContact O-N 3.15Å
373	A	97.5	Very high	89.5	Confident	6 Å²	6	41.6 Å²	41.6	5%	0.05	21%	0.211	C	C	.	.			trans	-75.8	164.6	158.8	0	0	0	0	0	109.6	P315 F317 V360 V365	P315-A373 HydrophobicContact CG-CB 3.99Å; P315-A373 CarbonylContact O-C 3.58Å; P315-A373 VanDerWaalsContact O-CA 3.27Å; P315-A373 WeakPolarHBondContact O-CA 3.49Å; F317-A373 HydrophobicContact CB-CB 4.19Å; V360-A373 HydrophobicContact CG1-CB 4.27Å; V360-A373 WeakPolarHBondContact CG1-O 3.27Å; V365-A373 HydrophobicContact CG1-CB 4.19Å
374	M	97.1	Very high	88.2	Confident	16 Å²	16	41.7 Å²	41.7	8%	0.079	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.8	175	-65.1	-169.4	67.8	0	0	110.9	I225 F226 V314 P315 M316 F317 W369 Y416 S417	I225-M374 HydrophobicContact CG2-CE 4.28Å; F226-M374 HydrophobicContact CE1-CE 3.72Å; F226-M374 HydrophobicContact CE1-SD 3.87Å; F226-M374 HydrophobicContact CE2-CE 4.4Å; F226-M374 HydrophobicContact CZ-CE 3.43Å; F226-M374 VanDerWaalsContact CZ-CE 3.43Å; F226-M374 HydrophobicContact CZ-SD 4.1Å; V314-M374 HydrophobicContact CB-CG 4.16Å; V314-M374 HydrophobicContact CB-SD 4.24Å; V314-M374 HydrophobicContact CG1-CG 4.1Å; V314-M374 HydrophobicContact CG1-SD 3.9Å; V314-M374 HydrophobicContact CG2-CG 4.29Å; V314-M374 HydrophobicContact CG2-SD 3.94Å; P315-M374 PolarHBondContact O-N 3.3Å; M316-M374 WeakPolarHBondContact CA-O 3.43Å; F317-M374 PolarHBondContact N-O 3.23Å; W369-M374 HydrophobicContact CE3-SD 4.49Å; M374-Y416 VanDerWaalsContact CE-CB 3.42Å; M374-S417 VanDerWaalsContact CB-CB 3.49Å; M374-S417 WeakPolarHBondContact CB-OG 3.31Å; M374-S417 PolarHBondContact O-OG 2.98Å
375	L	97.8	Very high	87	Confident	6 Å²	6	40.9 Å²	40.9	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	129.4	-177.6	-172.2	70.4	0	0	0	111.7	F317 L356 A357 V360 Y415 Y416 S417	F317-L375 HydrophobicContact CD1-CD1 3.73Å; F317-L375 HydrophobicContact CE1-CD1 4.41Å; F317-L375 CarbonylContact O-C 3.58Å; F317-L375 WeakPolarHBondContact O-CA 3.4Å; L356-L375 HydrophobicContact CB-CD1 3.86Å; L356-L375 HydrophobicContact CB-CD2 3.98Å; A357-L375 HydrophobicContact CB-CD2 3.97Å; V360-L375 HydrophobicContact CG2-CB 4.46Å; V360-L375 HydrophobicContact CG2-CD1 4.09Å; L375-Y415 HydrophobicContact CB-CD1 4.42Å; L375-Y415 HydrophobicContact CD1-CD1 4.46Å; L375-Y415 HydrophobicContact CD1-CE1 4.15Å; L375-Y415 HydrophobicContact CD2-CD1 3.71Å; L375-Y415 HydrophobicContact CD2-CE1 3.57Å; L375-Y415 HydrophobicContact CD2-CG 4.31Å; L375-Y415 HydrophobicContact CG-CD1 3.51Å; L375-Y415 HydrophobicContact CG-CE1 3.58Å; L375-Y415 HydrophobicContact CG-CG 4.42Å; L375-Y415 CarbonylContact O-C 3.52Å; L375-Y415 VanDerWaalsContact O-CA 3.26Å; L375-Y415 WeakPolarHBondContact O-CA 3.28Å; L375-Y416 PolarHBondContact O-N 3.44Å; L375-S417 PolarHBondContact O-N 3.47Å; L375-S417 PolarHBondContact O-OG 3.38Å
376	H	97	Very high	86.1	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.6	-174.8	-179.3	53.2	0	0	0	111.6	N238 L249 M316 F317 G318 M319 Q378 S417 G418	N238-H376 PolarHBondContact OD1-CE1 3.25Å; N238-H376 PolarHBondContact OD1-ND1 3.09Å; N238-H376 PolarHBondContact OD1-NE2 3.28Å; L249-H376 HydrophobicContact CD1-CB 4.43Å; M316-H376 HydrophobicContact CB-CB 4.34Å; F317-H376 PolarHBondContact O-N 3.19Å; G318-H376 CarbonylContact C-O 3.51Å; G318-H376 VanDerWaalsContact CA-O 3.24Å; G318-H376 WeakPolarHBondContact CA-O 3.4Å; M319-H376 PolarHBondContact N-O 3.28Å; H376-Q378 WeakPolarHBondContact NE2-CA 3.25Å; H376-S417 WeakPolarHBondContact CB-OG 3.03Å; H376-S417 PolarHBondContact N-OG 3.29Å; H376-G418 PolarHBondContact ND1-O 3.42Å
377	A	95.6	Very high	85.5	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	109.4	168.8	0	0	0	0	0	108.1	M319 Y415 G418 I419	M319-A377 HydrophobicContact SD-CB 4.17Å; A377-Y415 HydrophobicContact CB-CD1 3.68Å; A377-Y415 HydrophobicContact CB-CD2 4.3Å; A377-Y415 HydrophobicContact CB-CE1 3.84Å; A377-Y415 HydrophobicContact CB-CE2 4.46Å; A377-Y415 HydrophobicContact CB-CG 3.94Å; A377-G418 PolarHBondContact N-O 3.12Å; A377-I419 HydrophobicContact CB-CB 4.03Å; A377-I419 HydrophobicContact CB-CD1 4.21Å; A377-I419 HydrophobicContact CB-CG1 3.96Å
378	Q	92.4	Very high	85.1	Confident	3 Å²	3	36.9 Å²	36.9	1%	0.014	20%	0.201	C	C	.	.			trans	-84.9	131.6	-164.3	-165.8	-76.4	-24.8	0	0	111.9	M60 L249 M319 H376 G380 G390	M60-Q378 HydrophobicContact CE-CG 4.44Å; M60-Q378 VanDerWaalsContact CE-NE2 3.33Å; M60-Q378 HydrophobicContact SD-CG 4.14Å; L249-Q378 HydrophobicContact CD2-CG 3.9Å; M319-Q378 PolarHBondContact O-N 3.44Å; H376-Q378 WeakPolarHBondContact NE2-CA 3.25Å; Q378-G380 PolarHBondContact O-N 2.94Å; Q378-G390 WeakPolarHBondContact O-CA 3.45Å; Q378-G390 PolarHBondContact O-N 3.43Å
379	S	78.8	Confident	84.8	Confident	7 Å²	7	37 Å²	37	5%	0.049	20%	0.199	C	C	.	.			trans	-75.9	101	176.1	24.4	0	0	0	0	110.7	C236 T464	C236-S379 WeakPolarHBondContact CB-OG 3.41Å; C236-S379 PolarHBondContact SG-OG 3.25Å; S379-T464 WeakPolarHBondContact CB-O 3.2Å
380	G	73.2	Confident	84.7	Confident	4 Å²	4	35.1 Å²	35.1	4%	0.041	19%	0.193	C	C	.	.			trans	-42.5	157.5	-168.2	0	0	0	0	0	117.7	Q378 D384 T464	Q378-G380 PolarHBondContact O-N 2.94Å; G380-D384 WeakPolarHBondContact CA-OD2 3.48Å; G380-T464 WeakPolarHBondContact O-CB 3.26Å; G380-T464 WeakPolarHBondContact O-CG2 3.4Å; G380-T464 PolarHBondContact O-OG1 3.5Å
381	I	69.8	Low	84.7	Confident	42 Å²	42	30.2 Å²	30.2	22%	0.215	17%	0.171	C	C	.	.			trans	-112.2	169.2	-177.5	62.3	176.3	0	0	0	111.5	M60 F61 R251 S383 D384	M60-I381 HydrophobicContact CE-CG2 3.68Å; F61-I381 HydrophobicContact CD2-CD1 4.04Å; F61-I381 HydrophobicContact CE2-CD1 3.63Å; R251-I381 VanDerWaalsContact NH2-CG1 3.27Å; I381-S383 WeakPolarHBondContact CD1-OG 3.43Å; I381-S383 WeakPolarHBondContact CG1-OG 3.44Å; I381-S383 PolarHBondContact O-N 3.38Å; I381-S383 VanDerWaalsContact O-N 3.12Å; I381-D384 WeakPolarHBondContact CG1-OD1 3.44Å; I381-D384 PolarHBondContact N-OD2 3.2Å; I381-D384 VanDerWaalsContact O-CB 3.3Å; I381-D384 WeakPolarHBondContact O-CB 3.49Å; I381-D384 PolarHBondContact O-N 3.37Å
382	S	61	Low	84.5	Confident	35 Å²	35	23.8 Å²	23.8	25%	0.245	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.7	-175.5	54.3	0	0	0	0	114.2	D384 E491	S382-D384 VanDerWaalsContact C-N 3.3Å; S382-D384 PolarHBondContact O-N 3.03Å; S382-E491 WeakPolarHBondContact CB-OE2 3.43Å; S382-E491 PolarHBondContact OG-OE2 2.78Å
383	S	64.7	Low	84.2	Confident	60 Å²	60	19 Å²	19	42%	0.42	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-7.5	177.1	61.2	0	0	0	0	114.5	I381 I385	I381-S383 WeakPolarHBondContact CD1-OG 3.43Å; I381-S383 WeakPolarHBondContact CG1-OG 3.44Å; I381-S383 PolarHBondContact O-N 3.38Å; I381-S383 VanDerWaalsContact O-N 3.12Å; S383-I385 PolarHBondContact O-N 3.23Å
384	D	71.4	Confident	83.5	Confident	25 Å²	25	19.4 Å²	19.4	13%	0.134	13%	0.127	C	C	.	.			trans	-81.1	87.7	-177	-63.6	-13.8	0	0	0	110.3	R251 Y320 G380 I381 S382	R251-D384 IonicContact CZ-OD1 3.8Å; R251-D384 IonicContact CZ-OD2 2.7Å; R251-D384 IonicContact NH1-OD1 2.67Å; R251-D384 IonicContact NH1-OD2 3.74Å; R251-D384 PolarHBondContact NH1-OD2 3.5Å; R251-D384 IonicContact NH2-OD1 4Å; R251-D384 PolarHBondContact NH2-OD1 3.19Å; R251-D384 IonicContact NH2-OD2 3.81Å; R251-D384 PolarHBondContact NH2-OD2 2.8Å; Y320-D384 HydrophobicContact CD2-CB 4.49Å; Y320-D384 HydrophobicContact CE2-CB 4.05Å; G380-D384 WeakPolarHBondContact CA-OD2 3.48Å; I381-D384 WeakPolarHBondContact CG1-OD1 3.44Å; I381-D384 PolarHBondContact N-OD2 3.2Å; I381-D384 VanDerWaalsContact O-CB 3.3Å; I381-D384 WeakPolarHBondContact O-CB 3.49Å; I381-D384 PolarHBondContact O-N 3.37Å; S382-D384 VanDerWaalsContact C-N 3.3Å; S382-D384 PolarHBondContact O-N 3.03Å
385	I	71.1	Confident	82.3	Confident	78 Å²	78	24.2 Å²	24.2	40%	0.4	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	124.9	-174.5	-59.7	171.5	0	0	0	110.7	S383 T387 R535	S383-I385 PolarHBondContact O-N 3.23Å; I385-T387 VanDerWaalsContact C-N 3.3Å; I385-T387 PolarHBondContact O-N 3.48Å; I385-R535 HydrophobicContact CG2-CB 4.13Å
386	G	77.1	Confident	81	Confident	51 Å²	51	26.1 Å²	26.1	53%	0.526	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	34.6	174.2	0	0	0	0	0	112.9	K255	K255-G386 PolarHBondContact NZ-O 3.21Å
387	T	81.7	Confident	79.8	Confident	21 Å²	21	27.8 Å²	27.8	13%	0.129	17%	0.174	C	C	.	.			trans	-138.5	148	177	47.1	0	0	0	0	109.8	K255 Y320 E324 I385	K255-T387 HydrophobicContact CB-CG2 4.02Å; K255-T387 HydrophobicContact CD-CG2 3.55Å; K255-T387 HydrophobicContact CG-CG2 4.46Å; Y320-T387 HydrophobicContact CE2-CG2 4.03Å; Y320-T387 WeakPolarHBondContact CE2-OG1 3.48Å; E324-T387 WeakPolarHBondContact OE2-CA 3.15Å; I385-T387 VanDerWaalsContact C-N 3.3Å; I385-T387 PolarHBondContact O-N 3.48Å
388	T	86.8	Confident	78.9	Confident	8 Å²	8	30.3 Å²	30.3	5%	0.049	19%	0.186	C	C	.	.			trans	-93.9	141.2	177.5	-60.8	0	0	0	0	110.8	G321 E324 G390 R392	G321-T388 WeakPolarHBondContact CA-O 3.48Å; G321-T388 PolarHBondContact N-O 3.26Å; E324-T388 WeakPolarHBondContact OE1-CB 3.37Å; E324-T388 PolarHBondContact OE1-N 3.42Å; E324-T388 PolarHBondContact OE1-OG1 3.1Å; E324-T388 PolarHBondContact OE2-N 3.09Å; T388-G390 PolarHBondContact O-N 2.99Å; T388-R392 HydrophobicContact CG2-CB 3.98Å; T388-R392 WeakPolarHBondContact CG2-O 3.13Å
389	P	89	Confident	78.2	Confident	17 Å²	17	31.8 Å²	31.8	11%	0.11	20%	0.196	C	C	.	.	S	Bend	trans	-55.6	134.2	174.4	-30.1	38.6	0	0	0	113.3	A391 R392 Y395 T464	P389-A391 PolarHBondContact O-N 3.02Å; P389-R392 VanDerWaalsContact O-CB 3.24Å; P389-R392 WeakPolarHBondContact O-CB 3.44Å; P389-R392 PolarHBondContact O-N 3Å; P389-Y395 HydrophobicContact CG-CE2 4.16Å; P389-T464 HydrophobicContact CG-CG2 4.08Å
390	G	93.1	Very high	78.5	Confident	4 Å²	4	35.4 Å²	35.4	4%	0.041	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	-125.3	172.6	0	0	0	0	0	114.1	L322 Q378 T388	L322-G390 VanDerWaalsContact CB-O 3.3Å; L322-G390 WeakPolarHBondContact CB-O 3.17Å; L322-G390 PolarHBondContact N-O 3.13Å; Q378-G390 WeakPolarHBondContact O-CA 3.45Å; Q378-G390 PolarHBondContact O-N 3.43Å; T388-G390 PolarHBondContact O-N 2.99Å
391	A	94	Very high	78.8	Confident	3 Å²	3	37.3 Å²	37.3	3%	0.025	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	10.6	176.7	0	0	0	0	0	113.4	L322 Y339 P389 H411 I419	L322-A391 HydrophobicContact CD2-CB 3.57Å; Y339-A391 PolarHBondContact OH-O 3.33Å; P389-A391 PolarHBondContact O-N 3.02Å; A391-H411 HydrophobicContact CB-CB 4.18Å; A391-I419 HydrophobicContact CB-CD1 4.15Å
392	R	91	Very high	79.6	Confident	9 Å²	9	40 Å²	40	3%	0.034	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-67.7	155.4	-173	-168.2	-179.9	-171.8	-81.1	1.8	111.6	T388 P389 E398 D421 I422	T388-R392 HydrophobicContact CG2-CB 3.98Å; T388-R392 WeakPolarHBondContact CG2-O 3.13Å; P389-R392 VanDerWaalsContact O-CB 3.24Å; P389-R392 WeakPolarHBondContact O-CB 3.44Å; P389-R392 PolarHBondContact O-N 3Å; R392-E398 IonicContact CZ-OE1 3.49Å; R392-E398 IonicContact NH1-OE1 3.38Å; R392-E398 PolarHBondContact NH1-OE1 2.97Å; R392-E398 IonicContact NH2-OE1 3.9Å; R392-E398 PolarHBondContact NH2-OE1 2.88Å; R392-D421 WeakPolarHBondContact CA-OD1 3.41Å; R392-D421 WeakPolarHBondContact CB-OD1 3.36Å; R392-D421 WeakPolarHBondContact CG-OD1 3.28Å; R392-I422 PolarHBondContact NH2-O 3.35Å
393	L	87.9	Confident	80.7	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.01	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-67.9	143.2	166	-57.9	-175.2	0	0	0	111.3	Y339 G340 Y395 E398 P399 H404 T407 V408	Y339-L393 HydrophobicContact CD1-CD2 3.8Å; Y339-L393 HydrophobicContact CE1-CD2 3.52Å; G340-L393 VanDerWaalsContact CA-CD2 3.45Å; L393-Y395 PolarHBondContact O-N 3.16Å; L393-E398 HydrophobicContact CB-CG 4.42Å; L393-P399 HydrophobicContact CD1-CG 3.9Å; L393-H404 HydrophobicContact CD1-CB 4.3Å; L393-T407 HydrophobicContact CD2-CG2 3.96Å; L393-V408 HydrophobicContact CG-CG1 4.15Å
394	P	82.2	Confident	81.9	Confident	15 Å²	15	38.1 Å²	38.1	10%	0.097	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-58.6	134.2	179.5	-22.9	32.4	0	0	0	112	A323 G396 D397	A323-P394 HydrophobicContact CB-CG 3.63Å; P394-G396 PolarHBondContact O-N 3.02Å; P394-D397 HydrophobicContact CB-CB 4.27Å; P394-D397 PolarHBondContact O-N 3.12Å
395	Y	71.8	Confident	82.8	Confident	117 Å²	117	37.4 Å²	37.4	46%	0.459	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	132.8	176.8	-70.2	-80.6	0	0	0	111.2	P389 L393 D397	P389-Y395 HydrophobicContact CG-CE2 4.16Å; L393-Y395 PolarHBondContact O-N 3.16Å; Y395-D397 PolarHBondContact O-N 3.3Å
396	G	70.5	Confident	83.7	Confident	45 Å²	45	39.5 Å²	39.5	46%	0.464	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-18.2	-178.7	0	0	0	0	0	114.9	P394 E398	P394-G396 PolarHBondContact O-N 3.02Å; G396-E398 PolarHBondContact N-OE2 3.35Å
397	D	73.6	Confident	84.4	Confident	36 Å²	36	37.4 Å²	37.4	19%	0.193	21%	0.206	C	C	.	.			trans	-96.4	7	169.4	-74.2	-17.7	0	0	0	111.2	R338 K341 P394 Y395 R678	R338-D397 IonicContact CZ-OD2 2.8Å; R338-D397 IonicContact NH1-OD2 2.79Å; R338-D397 PolarHBondContact NH1-OD2 3.3Å; R338-D397 IonicContact NH2-OD2 3.75Å; R338-D397 PolarHBondContact NH2-OD2 3.4Å; K341-D397 WeakPolarHBondContact CE-O 3.16Å; K341-D397 PolarHBondContact NZ-O 3.48Å; P394-D397 HydrophobicContact CB-CB 4.27Å; P394-D397 PolarHBondContact O-N 3.12Å; Y395-D397 PolarHBondContact O-N 3.3Å; D397-R678 IonicContact OD1-NH1 3.65Å; D397-R678 IonicContact OD2-NH1 3.4Å; D397-R678 PolarHBondContact OD2-NH1 3.49Å
398	E	76.5	Confident	85	Confident	55 Å²	55	36.4 Å²	36.4	26%	0.257	20%	0.2	S	C	.	.			trans	-64.2	133.5	-179.3	-63.5	135.4	139.1	0	0	111.5	R392 L393 G396	R392-E398 IonicContact CZ-OE1 3.49Å; R392-E398 IonicContact NH1-OE1 3.38Å; R392-E398 PolarHBondContact NH1-OE1 2.97Å; R392-E398 IonicContact NH2-OE1 3.9Å; R392-E398 PolarHBondContact NH2-OE1 2.88Å; L393-E398 HydrophobicContact CB-CG 4.42Å; G396-E398 PolarHBondContact N-OE2 3.35Å
399	P	77.1	Confident	85.4	Confident	33 Å²	33	36.1 Å²	36.1	21%	0.214	20%	0.198	C	C	.	.			trans	-77	-168.8	171.7	36.3	-36.9	0	0	0	110.6	L393 T403 H404	L393-P399 HydrophobicContact CD1-CG 3.9Å; P399-T403 HydrophobicContact CB-CG2 3.86Å; P399-T403 HydrophobicContact CG-CG2 3.82Å; P399-H404 HydrophobicContact CG-CB 4.09Å
400	D	84.2	Confident	85.7	Confident	83 Å²	83	37.8 Å²	37.8	44%	0.444	21%	0.209	S	C	.	.			trans	-59.5	158	170.7	71.4	89.6	0	0	0	111.5	I402 T403 H404	D400-I402 VanDerWaalsContact C-N 3.27Å; D400-I402 PolarHBondContact O-N 3.47Å; D400-I402 VanDerWaalsContact O-N 3.14Å; D400-I402 WeakPolarHBondContact OD1-CB 3.32Å; D400-I402 PolarHBondContact OD1-N 2.91Å; D400-T403 PolarHBondContact O-N 3.43Å; D400-T403 PolarHBondContact OD1-N 3.38Å; D400-T403 VanDerWaalsContact OD1-N 3.12Å; D400-T403 PolarHBondContact OD1-OG1 2.97Å; D400-T403 VanDerWaalsContact OD2-CB 3.26Å; D400-T403 WeakPolarHBondContact OD2-CB 3.22Å; D400-T403 PolarHBondContact OD2-OG1 3.43Å; D400-H404 WeakPolarHBondContact O-CB 3.42Å; D400-H404 PolarHBondContact O-N 3.49Å
401	P	81.2	Confident	85.9	Confident	45 Å²	45	37.6 Å²	37.6	29%	0.292	21%	0.207	S	C	.	.	H	α-helix	trans	-52.3	-37	-175.9	-33.6	39	0	0	0	116.2	L405 L423 L425	P401-L405 WeakPolarHBondContact O-CD1 3.36Å; P401-L405 WeakPolarHBondContact O-CG 3.21Å; P401-L405 PolarHBondContact O-N 2.97Å; P401-L405 VanDerWaalsContact O-N 3.1Å; P401-L423 HydrophobicContact CB-CD1 3.87Å; P401-L423 HydrophobicContact CB-CD2 4.07Å; P401-L423 HydrophobicContact CB-CG 4.45Å; P401-L423 HydrophobicContact CG-CD1 4.33Å; P401-L425 HydrophobicContact CB-CD2 4.46Å; P401-L425 HydrophobicContact CG-CD2 4.15Å
402	I	85.1	Confident	86	Confident	97 Å²	97	37.4 Å²	37.4	50%	0.497	21%	0.206	S	C	.	.	H	α-helix	trans	-74.2	-49.2	-176.2	-62.2	172.9	0	0	0	109.4	D400 H404 L405 Q406 L439	D400-I402 VanDerWaalsContact C-N 3.27Å; D400-I402 PolarHBondContact O-N 3.47Å; D400-I402 VanDerWaalsContact O-N 3.14Å; D400-I402 WeakPolarHBondContact OD1-CB 3.32Å; D400-I402 PolarHBondContact OD1-N 2.91Å; I402-H404 PolarHBondContact O-N 3.27Å; I402-L405 PolarHBondContact O-N 3Å; I402-Q406 HydrophobicContact CG2-CG 4.38Å; I402-Q406 WeakPolarHBondContact O-CB 3.42Å; I402-Q406 WeakPolarHBondContact O-CG 3.33Å; I402-Q406 PolarHBondContact O-N 3.08Å; I402-L439 HydrophobicContact CG1-CD2 4.23Å
403	T	85.7	Confident	86.2	Confident	52 Å²	52	39.7 Å²	39.7	32%	0.319	23%	0.226	S	C	.	.	H	α-helix	trans	-59.9	-36.8	176.6	-54.7	0	0	0	0	111.5	P399 D400 T407	P399-T403 HydrophobicContact CB-CG2 3.86Å; P399-T403 HydrophobicContact CG-CG2 3.82Å; D400-T403 PolarHBondContact O-N 3.43Å; D400-T403 PolarHBondContact OD1-N 3.38Å; D400-T403 VanDerWaalsContact OD1-N 3.12Å; D400-T403 PolarHBondContact OD1-OG1 2.97Å; D400-T403 VanDerWaalsContact OD2-CB 3.26Å; D400-T403 WeakPolarHBondContact OD2-CB 3.22Å; D400-T403 PolarHBondContact OD2-OG1 3.43Å; T403-T407 WeakPolarHBondContact O-CB 3.46Å; T403-T407 PolarHBondContact O-N 3.38Å; T403-T407 PolarHBondContact O-OG1 3.21Å
404	H	88.5	Confident	86.6	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.019	24%	0.241	C	C	.	.	H	α-helix	trans	-59.2	-57.5	174.2	-173.4	132	0	0	0	110.4	L393 P399 D400 I402 Q406 T407 V408	L393-H404 HydrophobicContact CD1-CB 4.3Å; P399-H404 HydrophobicContact CG-CB 4.09Å; D400-H404 WeakPolarHBondContact O-CB 3.42Å; D400-H404 PolarHBondContact O-N 3.49Å; I402-H404 PolarHBondContact O-N 3.27Å; H404-Q406 VanDerWaalsContact C-N 3.31Å; H404-Q406 PolarHBondContact O-N 2.8Å; H404-T407 PolarHBondContact O-N 2.88Å; H404-T407 VanDerWaalsContact O-N 3.09Å; H404-V408 WeakPolarHBondContact O-CG2 3.33Å; H404-V408 PolarHBondContact O-N 3.15Å; H404-V408 VanDerWaalsContact O-N 3.09Å
405	L	90.5	Very high	87.3	Confident	10 Å²	10	42.8 Å²	42.8	5%	0.052	24%	0.236	C	C	.	.	H	α-helix	trans	-59.5	-41.9	-177.7	-67.7	168.6	0	0	0	111.5	P401 I402 T407 V408 A409 L423 L439 A443 M448 F451	P401-L405 WeakPolarHBondContact O-CD1 3.36Å; P401-L405 WeakPolarHBondContact O-CG 3.21Å; P401-L405 PolarHBondContact O-N 2.97Å; P401-L405 VanDerWaalsContact O-N 3.1Å; I402-L405 PolarHBondContact O-N 3Å; L405-T407 VanDerWaalsContact C-N 3.28Å; L405-T407 PolarHBondContact O-N 2.98Å; L405-V408 PolarHBondContact O-N 3.07Å; L405-A409 WeakPolarHBondContact O-CB 3.37Å; L405-A409 PolarHBondContact O-N 3.4Å; L405-L423 HydrophobicContact CD1-CD2 4.31Å; L405-L439 HydrophobicContact CD1-CD2 4.29Å; L405-A443 HydrophobicContact CD1-CB 4.37Å; L405-A443 HydrophobicContact CD2-CB 4.39Å; L405-M448 HydrophobicContact CB-SD 4.28Å; L405-M448 HydrophobicContact CD2-CE 3.88Å; L405-M448 HydrophobicContact CD2-SD 3.57Å; L405-M448 VanDerWaalsContact CD2-SD 3.57Å; L405-M448 HydrophobicContact CG-SD 4.49Å; L405-F451 HydrophobicContact CD1-CE2 4.2Å; L405-F451 HydrophobicContact CD2-CD2 4.34Å; L405-F451 HydrophobicContact CD2-CE2 4.31Å
406	Q	89.6	Confident	88.4	Confident	122 Å²	122	42.7 Å²	42.7	57%	0.57	24%	0.236	S	C	*	.	H	α-helix	trans	-63.7	-33.2	177.4	-74.9	-178.8	-27.9	0	0	113.1	I402 H404 P410	I402-Q406 HydrophobicContact CG2-CG 4.38Å; I402-Q406 WeakPolarHBondContact O-CB 3.42Å; I402-Q406 WeakPolarHBondContact O-CG 3.33Å; I402-Q406 PolarHBondContact O-N 3.08Å; H404-Q406 VanDerWaalsContact C-N 3.31Å; H404-Q406 PolarHBondContact O-N 2.8Å; Q406-P410 WeakPolarHBondContact O-CD 3.33Å
407	T	93	Very high	89.5	Confident	8 Å²	8	40.6 Å²	40.6	5%	0.049	21%	0.214	C	C	.	.	H	α-helix	trans	-73.8	-40.3	177.9	-56.1	0	0	0	0	111.8	Y339 Y350 L393 T403 H404 L405	Y339-T407 HydrophobicContact CE2-CG2 4.45Å; Y350-T407 WeakPolarHBondContact CE1-O 3.42Å; Y350-T407 PolarHBondContact OH-O 3.16Å; Y350-T407 VanDerWaalsContact OH-O 3.11Å; L393-T407 HydrophobicContact CD2-CG2 3.96Å; T403-T407 WeakPolarHBondContact O-CB 3.46Å; T403-T407 PolarHBondContact O-N 3.38Å; T403-T407 PolarHBondContact O-OG1 3.21Å; H404-T407 PolarHBondContact O-N 2.88Å; H404-T407 VanDerWaalsContact O-N 3.09Å; L405-T407 VanDerWaalsContact C-N 3.28Å; L405-T407 PolarHBondContact O-N 2.98Å
408	V	94.2	Very high	90.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-85.8	-28.2	-175	-59.8	0	0	0	0	113.2	L393 H404 L405 P410 H411 D421 M448	L393-V408 HydrophobicContact CG-CG1 4.15Å; H404-V408 WeakPolarHBondContact O-CG2 3.33Å; H404-V408 PolarHBondContact O-N 3.15Å; H404-V408 VanDerWaalsContact O-N 3.09Å; L405-V408 PolarHBondContact O-N 3.07Å; V408-P410 VanDerWaalsContact C-CD 3.44Å; V408-H411 WeakPolarHBondContact O-CB 3.45Å; V408-H411 PolarHBondContact O-CD2 2.79Å; V408-H411 PolarHBondContact O-N 2.76Å; V408-D421 WeakPolarHBondContact CB-OD2 3.48Å; V408-D421 HydrophobicContact CG2-CB 4.04Å; V408-D421 WeakPolarHBondContact CG2-OD2 3.35Å; V408-M448 HydrophobicContact CG2-CE 4.04Å
409	A	94.8	Very high	91.3	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.017	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-51.7	-42.2	-175.1	0	0	0	0	0	115.2	L405 H411 H412 A446 M448	L405-A409 WeakPolarHBondContact O-CB 3.37Å; L405-A409 PolarHBondContact O-N 3.4Å; A409-H411 PolarHBondContact O-N 3.45Å; A409-H411 VanDerWaalsContact O-N 3.16Å; A409-H412 WeakPolarHBondContact O-CB 3.37Å; A409-H412 PolarHBondContact O-N 3.04Å; A409-A446 HydrophobicContact CB-CB 3.98Å; A409-M448 HydrophobicContact CB-CG 3.53Å; A409-M448 HydrophobicContact CB-SD 4.3Å
410	P	95.7	Very high	91.6	Very high	51 Å²	51	35.6 Å²	35.6	33%	0.331	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-58.7	-29.1	178.9	-26.9	37.1	0	0	0	114.1	Y350 Q406 V408 H412	Y350-P410 HydrophobicContact CD1-CB 3.87Å; Y350-P410 HydrophobicContact CD1-CG 4.48Å; Y350-P410 HydrophobicContact CE1-CB 3.68Å; Y350-P410 HydrophobicContact CE1-CG 3.82Å; Y350-P410 HydrophobicContact CE2-CG 4.41Å; Y350-P410 HydrophobicContact CG-CB 4.43Å; Q406-P410 WeakPolarHBondContact O-CD 3.33Å; V408-P410 VanDerWaalsContact C-CD 3.44Å; P410-H412 VanDerWaalsContact C-N 3.3Å; P410-H412 PolarHBondContact O-N 2.87Å
411	H	97.3	Very high	91.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-65.3	-34	177.1	-64.2	-69.9	0	0	0	112.2	L322 Y339 G349 Y350 S353 A391 V408 A409 A413 Y414 Y415 I419	L322-H411 VanDerWaalsContact CD2-CE1 3.5Å; L322-H411 WeakPolarHBondContact CD2-CE1 3.32Å; Y339-H411 AromaticContact CE2-NE2 3.83Å; Y339-H411 AromaticContact CZ-NE2 3.68Å; Y339-H411 PolarHBondContact OH-CD2 3.26Å; Y339-H411 PolarHBondContact OH-NE2 3.43Å; G349-H411 VanDerWaalsContact C-CE1 3.49Å; G349-H411 PolarHBondContact O-CE1 2.8Å; Y350-H411 AromaticContact CD1-CE1 3.45Å; Y350-H411 VanDerWaalsContact CD1-CE1 3.45Å; Y350-H411 WeakPolarHBondContact CD1-CE1 3.48Å; Y350-H411 AromaticContact CD1-NE2 3.52Å; Y350-H411 AromaticContact CE1-CD2 4Å; Y350-H411 AromaticContact CE1-CE1 3.92Å; Y350-H411 AromaticContact CE1-NE2 3.48Å; Y350-H411 WeakPolarHBondContact CE1-NE2 3.28Å; S353-H411 PolarHBondContact OG-ND1 2.82Å; A391-H411 HydrophobicContact CB-CB 4.18Å; V408-H411 WeakPolarHBondContact O-CB 3.45Å; V408-H411 PolarHBondContact O-CD2 2.79Å; V408-H411 PolarHBondContact O-N 2.76Å; A409-H411 PolarHBondContact O-N 3.45Å; A409-H411 VanDerWaalsContact O-N 3.16Å; H411-A413 PolarHBondContact O-N 3.35Å; H411-Y414 PolarHBondContact O-N 2.95Å; H411-Y415 HydrophobicContact CB-CD2 4.32Å; H411-Y415 HydrophobicContact CB-CE2 4.04Å; H411-Y415 WeakPolarHBondContact O-CD2 3.4Å; H411-I419 HydrophobicContact CB-CD1 3.68Å
412	H	95.7	Very high	91.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-59.4	-27.6	-172.4	-77.7	-113.7	0	0	0	113.9	A409 P410 Y414 I419 D421 M448 R449	A409-H412 WeakPolarHBondContact O-CB 3.37Å; A409-H412 PolarHBondContact O-N 3.04Å; P410-H412 VanDerWaalsContact C-N 3.3Å; P410-H412 PolarHBondContact O-N 2.87Å; H412-Y414 PolarHBondContact O-N 2.86Å; H412-Y414 VanDerWaalsContact O-N 3.14Å; H412-I419 HydrophobicContact CB-CG2 4.28Å; H412-I419 WeakPolarHBondContact ND1-CG2 3.47Å; H412-D421 IonicContact NE2-OD2 2.92Å; H412-D421 PolarHBondContact NE2-OD2 2.89Å; H412-M448 VanDerWaalsContact CE1-CE 3.49Å; H412-M448 WeakPolarHBondContact CE1-CE 3.27Å; H412-M448 WeakPolarHBondContact NE2-CE 3.49Å; H412-R449 HydrophobicContact CB-CB 4.44Å; H412-R449 HydrophobicContact CB-CG 4.13Å; H412-R449 PolarHBondContact ND1-N 3.28Å; H412-R449 WeakPolarHBondContact O-CD 3.46Å
413	A	94.9	Very high	91.9	Very high	56 Å²	56	25.6 Å²	25.6	46%	0.463	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-61.7	-19.8	177.6	0	0	0	0	0	113.5	H411 Y416	H411-A413 PolarHBondContact O-N 3.35Å; A413-Y416 WeakPolarHBondContact O-CE1 3.37Å
414	Y	96.8	Very high	91.7	Very high	82 Å²	82	26.3 Å²	26.3	32%	0.322	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-30.9	-172.8	-62.3	-63.5	0	0	0	114.1	A354 A357 H411 H412 Y416	A354-Y414 HydrophobicContact CB-CE1 4.02Å; A354-Y414 HydrophobicContact CB-CE2 4.44Å; A357-Y414 HydrophobicContact CB-CD1 3.54Å; A357-Y414 HydrophobicContact CB-CE1 4.48Å; A357-Y414 HydrophobicContact CB-CG 4.09Å; H411-Y414 PolarHBondContact O-N 2.95Å; H412-Y414 PolarHBondContact O-N 2.86Å; H412-Y414 VanDerWaalsContact O-N 3.14Å; Y414-Y416 PolarHBondContact O-N 3Å
415	Y	96.6	Very high	91.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.			trans	-95	71	-169	-66.2	-81.1	0	0	0	112.7	M319 S353 L375 A377 H411 S417 G418 I419 R449	M319-Y415 HydrophobicContact CE-CE1 4.38Å; M319-Y415 WeakPolarHBondContact CE-OH 3.32Å; M319-Y415 HydrophobicContact CG-CE1 3.68Å; M319-Y415 HydrophobicContact SD-CE1 4.03Å; S353-Y415 PolarHBondContact OG-OH 3.48Å; L375-Y415 HydrophobicContact CB-CD1 4.42Å; L375-Y415 HydrophobicContact CD1-CD1 4.46Å; L375-Y415 HydrophobicContact CD1-CE1 4.15Å; L375-Y415 HydrophobicContact CD2-CD1 3.71Å; L375-Y415 HydrophobicContact CD2-CE1 3.57Å; L375-Y415 HydrophobicContact CD2-CG 4.31Å; L375-Y415 HydrophobicContact CG-CD1 3.51Å; L375-Y415 HydrophobicContact CG-CE1 3.58Å; L375-Y415 HydrophobicContact CG-CG 4.42Å; L375-Y415 CarbonylContact O-C 3.52Å; L375-Y415 VanDerWaalsContact O-CA 3.26Å; L375-Y415 WeakPolarHBondContact O-CA 3.28Å; A377-Y415 HydrophobicContact CB-CD1 3.68Å; A377-Y415 HydrophobicContact CB-CD2 4.3Å; A377-Y415 HydrophobicContact CB-CE1 3.84Å; A377-Y415 HydrophobicContact CB-CE2 4.46Å; A377-Y415 HydrophobicContact CB-CG 3.94Å; H411-Y415 HydrophobicContact CB-CD2 4.32Å; H411-Y415 HydrophobicContact CB-CE2 4.04Å; H411-Y415 WeakPolarHBondContact O-CD2 3.4Å; Y415-S417 VanDerWaalsContact C-N 3.32Å; Y415-S417 PolarHBondContact O-N 3.19Å; Y415-G418 PolarHBondContact O-N 2.92Å; Y415-G418 VanDerWaalsContact O-N 3.15Å; Y415-I419 HydrophobicContact CD2-CB 4.36Å; Y415-I419 HydrophobicContact CD2-CD1 3.53Å; Y415-I419 HydrophobicContact CD2-CG1 4.47Å; Y415-I419 HydrophobicContact CE2-CD1 4.11Å; Y415-I419 HydrophobicContact CG-CB 4.2Å; Y415-I419 HydrophobicContact CG-CD1 4.2Å; Y415-R449 PolarHBondContact O-NH1 2.8Å
416	Y	94.9	Very high	91.1	Very high	116 Å²	116	29.9 Å²	29.9	46%	0.455	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-30.3	-173.4	-64.1	-24.3	0	0	0	115.2	I225 M374 L375 A413 Y414 R449	I225-Y416 HydrophobicContact CD1-CD1 3.51Å; I225-Y416 HydrophobicContact CD1-CE1 4.01Å; I225-Y416 HydrophobicContact CD1-CG 4.04Å; I225-Y416 HydrophobicContact CG1-CD1 4.1Å; I225-Y416 HydrophobicContact CG1-CE1 4.28Å; I225-Y416 HydrophobicContact CG1-CG 4.41Å; I225-Y416 HydrophobicContact CG2-CD2 4.45Å; I225-Y416 HydrophobicContact CG2-CG 4.22Å; M374-Y416 VanDerWaalsContact CE-CB 3.42Å; L375-Y416 PolarHBondContact O-N 3.44Å; A413-Y416 WeakPolarHBondContact O-CE1 3.37Å; Y414-Y416 PolarHBondContact O-N 3Å; Y416-R449 PolarHBondContact O-NH2 2.88Å
417	S	94.7	Very high	90.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-7.1	177.5	45.5	0	0	0	0	113.6	N238 S239 M374 L375 H376 Y415	N238-S417 CarbonylContact C-O 3.52Å; N238-S417 WeakPolarHBondContact CA-O 3.17Å; N238-S417 WeakPolarHBondContact CB-O 3.2Å; N238-S417 PolarHBondContact OD1-O 2.87Å; S239-S417 PolarHBondContact N-O 3.36Å; M374-S417 VanDerWaalsContact CB-CB 3.49Å; M374-S417 WeakPolarHBondContact CB-OG 3.31Å; M374-S417 PolarHBondContact O-OG 2.98Å; L375-S417 PolarHBondContact O-N 3.47Å; L375-S417 PolarHBondContact O-OG 3.38Å; H376-S417 WeakPolarHBondContact CB-OG 3.03Å; H376-S417 PolarHBondContact N-OG 3.29Å; Y415-S417 VanDerWaalsContact C-N 3.32Å; Y415-S417 PolarHBondContact O-N 3.19Å
418	G	93.1	Very high	90.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	146.3	143.3	171.6	0	0	0	0	0	112.7	H376 A377 Y415	H376-G418 PolarHBondContact ND1-O 3.42Å; A377-G418 PolarHBondContact N-O 3.12Å; Y415-G418 PolarHBondContact O-N 2.92Å; Y415-G418 VanDerWaalsContact O-N 3.15Å
419	I	93.1	Very high	90	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	18%	0.181	C	C	.	.			trans	-134.5	-72.4	175.9	168.1	156.3	0	0	0	113.1	A377 A391 H411 H412 Y415 E450	A377-I419 HydrophobicContact CB-CB 4.03Å; A377-I419 HydrophobicContact CB-CD1 4.21Å; A377-I419 HydrophobicContact CB-CG1 3.96Å; A391-I419 HydrophobicContact CB-CD1 4.15Å; H411-I419 HydrophobicContact CB-CD1 3.68Å; H412-I419 HydrophobicContact CB-CG2 4.28Å; H412-I419 WeakPolarHBondContact ND1-CG2 3.47Å; Y415-I419 HydrophobicContact CD2-CB 4.36Å; Y415-I419 HydrophobicContact CD2-CD1 3.53Å; Y415-I419 HydrophobicContact CD2-CG1 4.47Å; Y415-I419 HydrophobicContact CE2-CD1 4.11Å; Y415-I419 HydrophobicContact CG-CB 4.2Å; Y415-I419 HydrophobicContact CG-CD1 4.2Å; I419-E450 VanDerWaalsContact C-OE1 3.29Å; I419-E450 WeakPolarHBondContact CA-OE1 3.26Å; I419-E450 VanDerWaalsContact CG2-OE1 3.28Å; I419-E450 WeakPolarHBondContact CG2-OE1 3.47Å; I419-E450 PolarHBondContact N-OE1 2.83Å
420	S	84.1	Confident	89.7	Confident	15 Å²	15	36.6 Å²	36.6	11%	0.105	19%	0.193	C	C	.	.			trans	65.6	123.7	-178.7	82.9	0	0	0	0	117.6	Y237 E450	Y237-S420 WeakPolarHBondContact CD2-OG 3.42Å; S420-E450 PolarHBondContact N-OE1 2.79Å
421	D	85.1	Confident	89.4	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.016	22%	0.217	C	C	.	.			trans	-123.6	117.1	165.2	-76.3	-78.2	0	0	0	108.6	R392 V408 H412 L423 M448	R392-D421 WeakPolarHBondContact CA-OD1 3.41Å; R392-D421 WeakPolarHBondContact CB-OD1 3.36Å; R392-D421 WeakPolarHBondContact CG-OD1 3.28Å; V408-D421 WeakPolarHBondContact CB-OD2 3.48Å; V408-D421 HydrophobicContact CG2-CB 4.04Å; V408-D421 WeakPolarHBondContact CG2-OD2 3.35Å; H412-D421 IonicContact NE2-OD2 2.92Å; H412-D421 PolarHBondContact NE2-OD2 2.89Å; D421-L423 PolarHBondContact O-N 3.41Å; D421-M448 HydrophobicContact CB-CE 4.41Å
422	I	84.7	Confident	89.2	Confident	7 Å²	7	49 Å²	49	4%	0.036	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	103.1	178.9	-56.2	162.8	0	0	0	108.6	R392 T452 N454 R462 T464	R392-I422 PolarHBondContact NH2-O 3.35Å; I422-T452 HydrophobicContact CG1-CG2 4.07Å; I422-T452 HydrophobicContact CG2-CG2 4.49Å; I422-N454 HydrophobicContact CG2-CB 4.23Å; I422-N454 WeakPolarHBondContact CG2-ND2 3.43Å; I422-R462 HydrophobicContact CD1-CB 3.66Å; I422-R462 HydrophobicContact CG1-CB 4.42Å; I422-R462 HydrophobicContact CG2-CB 4.41Å; I422-T464 VanDerWaalsContact CD1-O 3.23Å; I422-T464 WeakPolarHBondContact CD1-O 3.49Å
423	L	86.7	Confident	89	Confident	6 Å²	6	50.2 Å²	50.2	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	132	174.6	-174.3	65.3	0	0	0	110.1	P401 L405 D421 L425 F451 T452 A453 N454	P401-L423 HydrophobicContact CB-CD1 3.87Å; P401-L423 HydrophobicContact CB-CD2 4.07Å; P401-L423 HydrophobicContact CB-CG 4.45Å; P401-L423 HydrophobicContact CG-CD1 4.33Å; L405-L423 HydrophobicContact CD1-CD2 4.31Å; D421-L423 PolarHBondContact O-N 3.41Å; L423-L425 HydrophobicContact CD2-CD1 4.46Å; L423-L425 HydrophobicContact CD2-CD2 3.55Å; L423-L425 HydrophobicContact CD2-CG 4.1Å; L423-L425 HydrophobicContact CG-CD2 3.81Å; L423-L425 HydrophobicContact CG-CG 4.17Å; L423-F451 HydrophobicContact CD2-CE2 4.28Å; L423-F451 HydrophobicContact CD2-CZ 4.39Å; L423-T452 WeakPolarHBondContact CB-O 3.26Å; L423-T452 PolarHBondContact N-O 2.88Å; L423-A453 HydrophobicContact CB-CB 4.41Å; L423-A453 CarbonylContact O-C 3.5Å; L423-A453 VanDerWaalsContact O-CA 3.25Å; L423-A453 WeakPolarHBondContact O-CA 3.47Å; L423-N454 PolarHBondContact O-N 2.91Å
424	T	81.6	Confident	88.8	Confident	67 Å²	67	51.5 Å²	51.5	41%	0.411	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	115.8	172	-59.2	0	0	0	0	108.9
425	L	83.6	Confident	88.5	Confident	7 Å²	7	49.1 Å²	49.1	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	152.2	178.3	-62.6	178.5	0	0	0	110.5	P401 L423 I429 L436 L439 A453 N454 V455 S456	P401-L425 HydrophobicContact CB-CD2 4.46Å; P401-L425 HydrophobicContact CG-CD2 4.15Å; L423-L425 HydrophobicContact CD2-CD1 4.46Å; L423-L425 HydrophobicContact CD2-CD2 3.55Å; L423-L425 HydrophobicContact CD2-CG 4.1Å; L423-L425 HydrophobicContact CG-CD2 3.81Å; L423-L425 HydrophobicContact CG-CG 4.17Å; L425-I429 HydrophobicContact CB-CG2 4.3Å; L425-I429 HydrophobicContact CD1-CG1 4.28Å; L425-L436 HydrophobicContact CD1-CD1 3.36Å; L425-L439 HydrophobicContact CD1-CD1 4.44Å; L425-L439 HydrophobicContact CD2-CD1 4.1Å; L425-A453 HydrophobicContact CD1-CB 3.78Å; L425-A453 HydrophobicContact CG-CB 4.25Å; L425-N454 PolarHBondContact N-O 3.13Å; L425-V455 HydrophobicContact CB-CG2 4.5Å; L425-S456 VanDerWaalsContact O-CB 3.27Å; L425-S456 WeakPolarHBondContact O-CB 3.46Å; L425-S456 PolarHBondContact O-N 2.8Å; L425-S456 PolarHBondContact O-OG 3Å
426	D	82.7	Confident	88.3	Confident	82 Å²	82	49.2 Å²	49.2	44%	0.439	24%	0.242	S	C	.	.			trans	-76.8	161.8	174.8	74.3	92.9	0	0	0	111.1	T428 I429	D426-T428 PolarHBondContact O-N 2.97Å; D426-T428 WeakPolarHBondContact OD1-CA 3.25Å; D426-T428 WeakPolarHBondContact OD1-CB 3.35Å; D426-T428 WeakPolarHBondContact OD1-CG2 3.46Å; D426-T428 PolarHBondContact OD1-N 3.22Å; D426-T428 PolarHBondContact OD1-OG1 3.14Å; D426-I429 WeakPolarHBondContact O-CG2 3.4Å; D426-I429 PolarHBondContact O-N 2.97Å
427	E	85.4	Confident	88.2	Confident	107 Å²	107	44 Å²	44	50%	0.5	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-67.1	-19.8	-175.2	-171.5	163.8	-152	0	0	113.6	I429 K430 S456	E427-I429 PolarHBondContact O-N 3.33Å; E427-K430 HydrophobicContact CG-CD 3.81Å; E427-K430 HydrophobicContact CG-CG 4.44Å; E427-K430 WeakPolarHBondContact O-CB 3.26Å; E427-K430 WeakPolarHBondContact O-CG 3.27Å; E427-K430 PolarHBondContact O-N 3.46Å; E427-K430 VanDerWaalsContact O-N 3.15Å; E427-K430 IonicContact OE1-NZ 3.58Å; E427-K430 PolarHBondContact OE1-NZ 3.43Å; E427-S456 WeakPolarHBondContact CB-O 3.3Å
428	T	82.4	Confident	88.1	Confident	87 Å²	87	49.2 Å²	49.2	53%	0.534	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-65.2	-22.3	-179	76.2	0	0	0	0	112.3	D426 K430 R431	D426-T428 PolarHBondContact O-N 2.97Å; D426-T428 WeakPolarHBondContact OD1-CA 3.25Å; D426-T428 WeakPolarHBondContact OD1-CB 3.35Å; D426-T428 WeakPolarHBondContact OD1-CG2 3.46Å; D426-T428 PolarHBondContact OD1-N 3.22Å; D426-T428 PolarHBondContact OD1-OG1 3.14Å; T428-K430 PolarHBondContact O-N 3.15Å; T428-K430 VanDerWaalsContact O-N 3.11Å; T428-R431 WeakPolarHBondContact O-CB 3.48Å; T428-R431 PolarHBondContact O-N 2.89Å
429	I	87	Confident	87.9	Confident	16 Å²	16	50.8 Å²	50.8	8%	0.082	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-56.4	-28.5	175.2	-159.3	68	0	0	0	112.6	L425 D426 E427 R431 N432 A435 L436 V455	L425-I429 HydrophobicContact CB-CG2 4.3Å; L425-I429 HydrophobicContact CD1-CG1 4.28Å; D426-I429 WeakPolarHBondContact O-CG2 3.4Å; D426-I429 PolarHBondContact O-N 2.97Å; E427-I429 PolarHBondContact O-N 3.33Å; I429-R431 PolarHBondContact O-N 2.96Å; I429-R431 VanDerWaalsContact O-N 3.15Å; I429-N432 CarbonylContact O-C 3.44Å; I429-N432 PolarHBondContact O-N 3.22Å; I429-A435 HydrophobicContact CD1-CB 3.72Å; I429-L436 HydrophobicContact CD1-CB 4.43Å; I429-L436 HydrophobicContact CG1-CB 4.18Å; I429-V455 HydrophobicContact CG2-CB 4.33Å; I429-V455 HydrophobicContact CG2-CG1 3.64Å; I429-V455 HydrophobicContact CG2-CG2 3.72Å
430	K	88.4	Confident	88	Confident	62 Å²	62	50.7 Å²	50.7	27%	0.27	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-59.1	-27.7	176.6	-63	-177.2	-178	172.9	0	112.7	C209 E427 T428 N432 V455 N458	C209-K430 HydrophobicContact CB-CG 4.19Å; C209-K430 WeakPolarHBondContact O-CE 3.41Å; E427-K430 HydrophobicContact CG-CD 3.81Å; E427-K430 HydrophobicContact CG-CG 4.44Å; E427-K430 WeakPolarHBondContact O-CB 3.26Å; E427-K430 WeakPolarHBondContact O-CG 3.27Å; E427-K430 PolarHBondContact O-N 3.46Å; E427-K430 VanDerWaalsContact O-N 3.15Å; E427-K430 IonicContact OE1-NZ 3.58Å; E427-K430 PolarHBondContact OE1-NZ 3.43Å; T428-K430 PolarHBondContact O-N 3.15Å; T428-K430 VanDerWaalsContact O-N 3.11Å; K430-N432 VanDerWaalsContact C-N 3.34Å; K430-V455 HydrophobicContact CD-CG1 4.47Å; K430-V455 HydrophobicContact CG-CG1 4.01Å; K430-N458 WeakPolarHBondContact CE-OD1 3.45Å; K430-N458 PolarHBondContact NZ-OD1 2.87Å
431	R	88.9	Confident	88.5	Confident	224 Å²	224	51.4 Å²	51.4	85%	0.845	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-81.6	-16	177.9	-57.6	179.3	-176.6	174.4	1.7	112.6	T428 I429	T428-R431 WeakPolarHBondContact O-CB 3.48Å; T428-R431 PolarHBondContact O-N 2.89Å; I429-R431 PolarHBondContact O-N 2.96Å; I429-R431 VanDerWaalsContact O-N 3.15Å
432	N	92	Very high	88.8	Confident	88 Å²	88	53 Å²	53	47%	0.471	27%	0.274	S	S	.	.			trans	-142.3	70.5	179.7	-172.8	12.1	0	0	0	112.2	I429 K430 Q434 A435	I429-N432 CarbonylContact O-C 3.44Å; I429-N432 PolarHBondContact O-N 3.22Å; K430-N432 VanDerWaalsContact C-N 3.34Å; N432-Q434 PolarHBondContact O-N 3.45Å; N432-Q434 WeakPolarHBondContact OD1-CB 3.36Å; N432-A435 WeakPolarHBondContact O-CB 3.23Å; N432-A435 PolarHBondContact O-N 3.36Å
433	P	92.4	Very high	89.3	Confident	25 Å²	25	52.7 Å²	52.7	16%	0.162	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-22	178.4	-24.7	35.3	0	0	0	113.8	L202 A205 K206 A435 L436 V437	L202-P433 HydrophobicContact CD1-CB 4.21Å; A205-P433 HydrophobicContact CB-CB 4.45Å; K206-P433 HydrophobicContact CG-CB 3.93Å; K206-P433 HydrophobicContact CG-CG 3.93Å; P433-A435 PolarHBondContact O-N 3.19Å; P433-L436 WeakPolarHBondContact O-CB 3.43Å; P433-L436 PolarHBondContact O-N 3.38Å; P433-L436 VanDerWaalsContact O-N 3.08Å; P433-V437 PolarHBondContact O-N 3.07Å
434	Q	91	Very high	89.7	Confident	83 Å²	83	53.3 Å²	53.3	39%	0.388	28%	0.275	S	S	.	.	H	α-helix	trans	-62	-31.4	175.7	-169.9	63.9	60.3	0	0	112.4	L202 N432 L436 V437 Q438	L202-Q434 HydrophobicContact CD1-CB 4.43Å; N432-Q434 PolarHBondContact O-N 3.45Å; N432-Q434 WeakPolarHBondContact OD1-CB 3.36Å; Q434-L436 VanDerWaalsContact C-N 3.31Å; Q434-V437 WeakPolarHBondContact O-CB 3.27Å; Q434-V437 PolarHBondContact O-N 2.75Å; Q434-Q438 WeakPolarHBondContact O-CG 3.48Å; Q434-Q438 PolarHBondContact O-N 2.93Å; Q434-Q438 VanDerWaalsContact O-N 3.11Å
435	A	90	Very high	90.2	Very high	33 Å²	33	58.7 Å²	58.7	27%	0.273	29%	0.293	S	S	.	.	H	α-helix	trans	-66.4	-34.9	174.6	0	0	0	0	0	111.8	I429 N432 P433 Q438 L439	I429-A435 HydrophobicContact CD1-CB 3.72Å; N432-A435 WeakPolarHBondContact O-CB 3.23Å; N432-A435 PolarHBondContact O-N 3.36Å; P433-A435 PolarHBondContact O-N 3.19Å; A435-Q438 PolarHBondContact O-N 2.72Å; A435-L439 PolarHBondContact O-N 2.83Å
436	L	92.1	Very high	90.6	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-65.8	-40	174.2	-177	68	0	0	0	111.7	A205 I208 L425 I429 P433 Q434 Q438 L439 C440 F451 A453	A205-L436 HydrophobicContact CB-CB 4.27Å; A205-L436 HydrophobicContact CB-CD2 3.96Å; A205-L436 HydrophobicContact CB-CG 4.3Å; A205-L436 WeakPolarHBondContact O-CD2 3.45Å; I208-L436 HydrophobicContact CB-CD2 3.63Å; I208-L436 HydrophobicContact CD1-CD2 4.08Å; I208-L436 HydrophobicContact CG1-CD2 4.43Å; I208-L436 HydrophobicContact CG2-CD2 3.61Å; L425-L436 HydrophobicContact CD1-CD1 3.36Å; I429-L436 HydrophobicContact CD1-CB 4.43Å; I429-L436 HydrophobicContact CG1-CB 4.18Å; P433-L436 WeakPolarHBondContact O-CB 3.43Å; P433-L436 PolarHBondContact O-N 3.38Å; P433-L436 VanDerWaalsContact O-N 3.08Å; Q434-L436 VanDerWaalsContact C-N 3.31Å; L436-Q438 VanDerWaalsContact C-N 3.31Å; L436-Q438 PolarHBondContact O-N 3.07Å; L436-L439 PolarHBondContact O-N 3.1Å; L436-C440 PolarHBondContact O-N 3.31Å; L436-F451 HydrophobicContact CD1-CE1 3.8Å; L436-F451 HydrophobicContact CD1-CZ 3.83Å; L436-F451 HydrophobicContact CG-CE1 4.44Å; L436-A453 HydrophobicContact CD1-CB 4.17Å
437	V	93.5	Very high	91.1	Very high	7 Å²	7	58.9 Å²	58.9	4%	0.042	31%	0.311	C	S	.	.	H	α-helix	trans	-56.6	-47	172	174.8	0	0	0	0	110.4	L201 L202 A205 P433 Q434 L439 C440 L441	L201-V437 HydrophobicContact CD2-CG1 3.69Å; L201-V437 HydrophobicContact CG-CG1 4.03Å; L201-V437 HydrophobicContact CG-CG2 4.4Å; L202-V437 HydrophobicContact CB-CG2 4.47Å; L202-V437 HydrophobicContact CD1-CG2 4.07Å; A205-V437 HydrophobicContact CB-CG2 3.5Å; P433-V437 PolarHBondContact O-N 3.07Å; Q434-V437 WeakPolarHBondContact O-CB 3.27Å; Q434-V437 PolarHBondContact O-N 2.75Å; V437-L439 PolarHBondContact O-N 3.48Å; V437-C440 PolarHBondContact O-N 2.97Å; V437-L441 HydrophobicContact CG1-CD1 3.89Å; V437-L441 HydrophobicContact CG1-CG 4.3Å; V437-L441 WeakPolarHBondContact O-CG 3.44Å; V437-L441 PolarHBondContact O-N 3.27Å
438	Q	91.5	Very high	91.6	Very high	109 Å²	109	53.8 Å²	53.8	51%	0.509	29%	0.287	S	S	.	.	H	α-helix	trans	-65	-38.9	179.6	-66.6	-59.6	-31.8	0	0	112.6	Q434 A435 L436 L441 G442	Q434-Q438 WeakPolarHBondContact O-CG 3.48Å; Q434-Q438 PolarHBondContact O-N 2.93Å; Q434-Q438 VanDerWaalsContact O-N 3.11Å; A435-Q438 PolarHBondContact O-N 2.72Å; L436-Q438 VanDerWaalsContact C-N 3.31Å; L436-Q438 PolarHBondContact O-N 3.07Å; Q438-L441 PolarHBondContact O-N 3.08Å; Q438-G442 PolarHBondContact O-N 3.39Å
439	L	90.6	Very high	92.2	Very high	34 Å²	34	49.8 Å²	49.8	18%	0.178	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-46.1	173	-77.2	171.7	0	0	0	111.6	I402 L405 L425 A435 L436 V437 G442 A443 F451	I402-L439 HydrophobicContact CG1-CD2 4.23Å; L405-L439 HydrophobicContact CD1-CD2 4.29Å; L425-L439 HydrophobicContact CD1-CD1 4.44Å; L425-L439 HydrophobicContact CD2-CD1 4.1Å; A435-L439 PolarHBondContact O-N 2.83Å; L436-L439 PolarHBondContact O-N 3.1Å; V437-L439 PolarHBondContact O-N 3.48Å; L439-G442 PolarHBondContact O-N 3.44Å; L439-A443 WeakPolarHBondContact O-CB 3.39Å; L439-A443 PolarHBondContact O-N 3.4Å; L439-F451 HydrophobicContact CB-CE2 4.22Å; L439-F451 HydrophobicContact CB-CZ 4.08Å
440	C	95	Very high	92.5	Very high	1 Å²	1	49 Å²	49	1%	0.007	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-48.1	177.3	-179	0	0	0	0	112.1	I216 L436 V437 G442 A443 F444 F451	I216-C440 HydrophobicContact CD1-CB 4.29Å; I216-C440 VanDerWaalsContact CD1-SG 3.57Å; L436-C440 PolarHBondContact O-N 3.31Å; V437-C440 PolarHBondContact O-N 2.97Å; C440-G442 VanDerWaalsContact C-N 3.31Å; C440-G442 PolarHBondContact O-N 3.48Å; C440-A443 WeakPolarHBondContact O-CB 3.42Å; C440-A443 PolarHBondContact O-N 2.84Å; C440-F444 PolarHBondContact O-N 3Å; C440-F444 VanDerWaalsContact SG-CE2 3.56Å; C440-F451 HydrophobicContact CB-CD1 3.72Å; C440-F451 HydrophobicContact CB-CD2 4.43Å; C440-F451 HydrophobicContact CB-CE1 3.92Å; C440-F451 HydrophobicContact CB-CG 3.99Å; C440-F451 HydrophobicContact CB-CZ 4.35Å
441	L	94.5	Very high	92.8	Very high	30 Å²	30	46.1 Å²	46.1	16%	0.157	25%	0.246	C	C	.	.	H	α-helix	trans	-66	-36.6	179	-67	177.7	0	0	0	111.7	Y191 L201 V437 Q438 F444 K445	Y191-L441 HydrophobicContact CE1-CD2 3.91Å; Y191-L441 HydrophobicContact CE2-CD2 4.38Å; Y191-L441 VanDerWaalsContact OH-CD2 3.3Å; Y191-L441 WeakPolarHBondContact OH-CD2 3.44Å; L201-L441 HydrophobicContact CD2-CD1 4.31Å; L201-L441 HydrophobicContact CD2-CD2 3.85Å; L201-L441 HydrophobicContact CD2-CG 4.13Å; V437-L441 HydrophobicContact CG1-CD1 3.89Å; V437-L441 HydrophobicContact CG1-CG 4.3Å; V437-L441 WeakPolarHBondContact O-CG 3.44Å; V437-L441 PolarHBondContact O-N 3.27Å; Q438-L441 PolarHBondContact O-N 3.08Å; L441-F444 PolarHBondContact O-N 3.14Å; L441-K445 WeakPolarHBondContact O-CB 3.29Å; L441-K445 VanDerWaalsContact O-CG 3.3Å; L441-K445 WeakPolarHBondContact O-CG 3.31Å; L441-K445 PolarHBondContact O-N 2.97Å
442	G	91.3	Very high	92.9	Very high	37 Å²	37	35.5 Å²	35.5	38%	0.381	21%	0.206	S	C	.	.	H	α-helix	trans	-61.8	-46	172.6	0	0	0	0	0	112.3	Q438 L439 C440 F444 K445 A446	Q438-G442 PolarHBondContact O-N 3.39Å; L439-G442 PolarHBondContact O-N 3.44Å; C440-G442 VanDerWaalsContact C-N 3.31Å; C440-G442 PolarHBondContact O-N 3.48Å; G442-F444 PolarHBondContact O-N 2.98Å; G442-K445 PolarHBondContact O-N 3.36Å; G442-A446 WeakPolarHBondContact O-CB 3.42Å; G442-A446 PolarHBondContact O-N 3.11Å
443	A	94.1	Very high	92.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-57.3	-46.8	174.6	0	0	0	0	0	112.1	L405 L439 C440 A446 G447 M448 F451	L405-A443 HydrophobicContact CD1-CB 4.37Å; L405-A443 HydrophobicContact CD2-CB 4.39Å; L439-A443 WeakPolarHBondContact O-CB 3.39Å; L439-A443 PolarHBondContact O-N 3.4Å; C440-A443 WeakPolarHBondContact O-CB 3.42Å; C440-A443 PolarHBondContact O-N 2.84Å; A443-A446 CarbonylContact O-C 3.58Å; A443-A446 WeakPolarHBondContact O-CB 3.25Å; A443-A446 PolarHBondContact O-N 2.84Å; A443-A446 VanDerWaalsContact O-N 3.16Å; A443-G447 PolarHBondContact O-N 2.91Å; A443-M448 HydrophobicContact CB-CB 4.3Å; A443-M448 HydrophobicContact CB-CG 4.26Å; A443-M448 HydrophobicContact CB-SD 3.51Å; A443-M448 VanDerWaalsContact CB-SD 3.51Å; A443-M448 WeakPolarHBondContact O-CB 3.47Å; A443-M448 WeakPolarHBondContact O-CG 3.13Å; A443-M448 PolarHBondContact O-N 2.94Å; A443-F451 HydrophobicContact CB-CD2 3.73Å; A443-F451 HydrophobicContact CB-CE2 4.41Å
444	F	95.7	Very high	92.6	Very high	19 Å²	19	30.9 Å²	30.9	8%	0.083	18%	0.18	C	C	.	.	H	α-helix	trans	-65.8	-38.6	176.9	-68.1	-17.3	0	0	0	113	Y191 I216 N218 C440 L441 G442 A446 G447 M448 F451	Y191-F444 AromaticContact CD1-CD2 3.64Å; Y191-F444 HydrophobicContact CD1-CD2 3.64Å; Y191-F444 AromaticContact CD1-CE2 3.53Å; Y191-F444 HydrophobicContact CD1-CE2 3.53Å; Y191-F444 HydrophobicContact CE1-CD2 4.02Å; Y191-F444 HydrophobicContact CE1-CE2 4.32Å; Y191-F444 HydrophobicContact CG-CE2 4.02Å; I216-F444 HydrophobicContact CB-CZ 4.1Å; I216-F444 HydrophobicContact CG2-CE2 3.75Å; I216-F444 HydrophobicContact CG2-CZ 3.59Å; N218-F444 HydrophobicContact CB-CD1 3.99Å; N218-F444 HydrophobicContact CB-CD2 4.49Å; N218-F444 HydrophobicContact CB-CE1 3.9Å; N218-F444 HydrophobicContact CB-CE2 4.41Å; N218-F444 HydrophobicContact CB-CG 4.28Å; N218-F444 HydrophobicContact CB-CZ 4.11Å; C440-F444 PolarHBondContact O-N 3Å; C440-F444 VanDerWaalsContact SG-CE2 3.56Å; L441-F444 PolarHBondContact O-N 3.14Å; G442-F444 PolarHBondContact O-N 2.98Å; F444-A446 VanDerWaalsContact C-N 3.26Å; F444-A446 PolarHBondContact O-N 3.27Å; F444-G447 PolarHBondContact O-N 3.09Å; F444-M448 HydrophobicContact CD1-CB 4.48Å; F444-M448 VanDerWaalsContact CD1-O 3.3Å; F444-M448 WeakPolarHBondContact CD1-O 3.25Å; F444-F451 HydrophobicContact CE1-CB 3.99Å; F444-F451 HydrophobicContact CZ-CB 4.27Å
445	K	92.2	Very high	92.3	Very high	179 Å²	179	27 Å²	27	78%	0.778	16%	0.162	S	C	*	.	H	α-helix	trans	-64.6	-30.7	172.5	-74.4	173.3	-177.9	176.5	0	112.6	L441 G442 G447	L441-K445 WeakPolarHBondContact O-CB 3.29Å; L441-K445 VanDerWaalsContact O-CG 3.3Å; L441-K445 WeakPolarHBondContact O-CG 3.31Å; L441-K445 PolarHBondContact O-N 2.97Å; G442-K445 PolarHBondContact O-N 3.36Å; K445-G447 PolarHBondContact O-N 2.8Å
446	A	92.5	Very high	91.8	Very high	52 Å²	52	27.2 Å²	27.2	43%	0.43	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-3.6	173.3	0	0	0	0	0	113.4	A409 G442 A443 F444	A409-A446 HydrophobicContact CB-CB 3.98Å; G442-A446 WeakPolarHBondContact O-CB 3.42Å; G442-A446 PolarHBondContact O-N 3.11Å; A443-A446 CarbonylContact O-C 3.58Å; A443-A446 WeakPolarHBondContact O-CB 3.25Å; A443-A446 PolarHBondContact O-N 2.84Å; A443-A446 VanDerWaalsContact O-N 3.16Å; F444-A446 VanDerWaalsContact C-N 3.26Å; F444-A446 PolarHBondContact O-N 3.27Å
447	G	92.6	Very high	91	Very high	42 Å²	42	30.2 Å²	30.2	43%	0.433	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.6	7.2	176.5	0	0	0	0	0	114.9	A443 F444 K445 R449	A443-G447 PolarHBondContact O-N 2.91Å; F444-G447 PolarHBondContact O-N 3.09Å; K445-G447 PolarHBondContact O-N 2.8Å; G447-R449 PolarHBondContact O-N 3.24Å
448	M	95.1	Very high	90.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.193	C	C	.	.			trans	-66.1	135.5	175.7	-64.3	-176.9	78.9	0	0	110.9	N218 L405 V408 A409 H412 D421 A443 F444 E450	N218-M448 PolarHBondContact ND2-O 2.78Å; L405-M448 HydrophobicContact CB-SD 4.28Å; L405-M448 HydrophobicContact CD2-CE 3.88Å; L405-M448 HydrophobicContact CD2-SD 3.57Å; L405-M448 VanDerWaalsContact CD2-SD 3.57Å; L405-M448 HydrophobicContact CG-SD 4.49Å; V408-M448 HydrophobicContact CG2-CE 4.04Å; A409-M448 HydrophobicContact CB-CG 3.53Å; A409-M448 HydrophobicContact CB-SD 4.3Å; H412-M448 VanDerWaalsContact CE1-CE 3.49Å; H412-M448 WeakPolarHBondContact CE1-CE 3.27Å; H412-M448 WeakPolarHBondContact NE2-CE 3.49Å; D421-M448 HydrophobicContact CB-CE 4.41Å; A443-M448 HydrophobicContact CB-CB 4.3Å; A443-M448 HydrophobicContact CB-CG 4.26Å; A443-M448 HydrophobicContact CB-SD 3.51Å; A443-M448 VanDerWaalsContact CB-SD 3.51Å; A443-M448 WeakPolarHBondContact O-CB 3.47Å; A443-M448 WeakPolarHBondContact O-CG 3.13Å; A443-M448 PolarHBondContact O-N 2.94Å; F444-M448 HydrophobicContact CD1-CB 4.48Å; F444-M448 VanDerWaalsContact CD1-O 3.3Å; F444-M448 WeakPolarHBondContact CD1-O 3.25Å; M448-E450 VanDerWaalsContact C-N 3.27Å; M448-E450 WeakPolarHBondContact CE-O 3.5Å
449	R	95	Very high	90.2	Very high	3 Å²	3	28.1 Å²	28.1	1%	0.011	19%	0.185	C	C	.	.	S	Bend	trans	-74	-25.4	171.9	-68.4	178.8	64.9	-117.4	-3.2	111.9	N218 V221 H222 S239 H412 Y415 Y416 G447	N218-R449 VanDerWaalsContact CB-O 3.26Å; N218-R449 WeakPolarHBondContact CB-O 3.27Å; N218-R449 PolarHBondContact N-O 2.84Å; V221-R449 HydrophobicContact CG1-CG 3.83Å; H222-R449 PolarHBondContact CE1-NH2 3.14Å; H222-R449 PolarHBondContact ND1-NH2 3.12Å; H222-R449 PolarHBondContact NE2-O 2.95Å; S239-R449 PolarHBondContact OG-NH2 3.21Å; H412-R449 HydrophobicContact CB-CB 4.44Å; H412-R449 HydrophobicContact CB-CG 4.13Å; H412-R449 PolarHBondContact ND1-N 3.28Å; H412-R449 WeakPolarHBondContact O-CD 3.46Å; Y415-R449 PolarHBondContact O-NH1 2.8Å; Y416-R449 PolarHBondContact O-NH2 2.88Å; G447-R449 PolarHBondContact O-N 3.24Å
450	E	94.1	Very high	89.9	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	151.2	-169.1	66.6	-167.8	146.2	0	0	111.9	H215 I216 Y237 I419 S420 M448	H215-E450 IonicContact CD2-OE2 2.78Å; H215-E450 VanDerWaalsContact CE1-CB 3.49Å; H215-E450 WeakPolarHBondContact CE1-CB 3.46Å; H215-E450 IonicContact CE1-OE2 3.74Å; H215-E450 PolarHBondContact CE1-OE2 3.01Å; H215-E450 VanDerWaalsContact NE2-CB 3.31Å; H215-E450 WeakPolarHBondContact NE2-CB 3.44Å; H215-E450 IonicContact NE2-OE2 2.87Å; H215-E450 PolarHBondContact NE2-OE2 2.83Å; I216-E450 CarbonylContact O-C 3.53Å; I216-E450 VanDerWaalsContact O-CA 3.26Å; I216-E450 WeakPolarHBondContact O-CA 3.45Å; Y237-E450 WeakPolarHBondContact CB-OE2 3.48Å; I419-E450 VanDerWaalsContact C-OE1 3.29Å; I419-E450 WeakPolarHBondContact CA-OE1 3.26Å; I419-E450 VanDerWaalsContact CG2-OE1 3.28Å; I419-E450 WeakPolarHBondContact CG2-OE1 3.47Å; I419-E450 PolarHBondContact N-OE1 2.83Å; S420-E450 PolarHBondContact N-OE1 2.79Å; M448-E450 VanDerWaalsContact C-N 3.27Å; M448-E450 WeakPolarHBondContact CE-O 3.5Å
451	F	94	Very high	89.1	Confident	1 Å²	1	27.7 Å²	27.7	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	125.1	-176.2	176.3	-92.6	0	0	0	110.2	H215 I216 L405 L423 L436 L439 C440 A443 F444 A453	H215-F451 PolarHBondContact ND1-O 2.68Å; H215-F451 VanDerWaalsContact ND1-O 3.14Å; I216-F451 HydrophobicContact CB-CB 4.48Å; I216-F451 HydrophobicContact CD1-CD1 4.29Å; I216-F451 PolarHBondContact N-O 3.32Å; I216-F451 PolarHBondContact O-N 2.76Å; L405-F451 HydrophobicContact CD1-CE2 4.2Å; L405-F451 HydrophobicContact CD2-CD2 4.34Å; L405-F451 HydrophobicContact CD2-CE2 4.31Å; L423-F451 HydrophobicContact CD2-CE2 4.28Å; L423-F451 HydrophobicContact CD2-CZ 4.39Å; L436-F451 HydrophobicContact CD1-CE1 3.8Å; L436-F451 HydrophobicContact CD1-CZ 3.83Å; L436-F451 HydrophobicContact CG-CE1 4.44Å; L439-F451 HydrophobicContact CB-CE2 4.22Å; L439-F451 HydrophobicContact CB-CZ 4.08Å; C440-F451 HydrophobicContact CB-CD1 3.72Å; C440-F451 HydrophobicContact CB-CD2 4.43Å; C440-F451 HydrophobicContact CB-CE1 3.92Å; C440-F451 HydrophobicContact CB-CG 3.99Å; C440-F451 HydrophobicContact CB-CZ 4.35Å; A443-F451 HydrophobicContact CB-CD2 3.73Å; A443-F451 HydrophobicContact CB-CE2 4.41Å; F444-F451 HydrophobicContact CE1-CB 3.99Å; F444-F451 HydrophobicContact CZ-CB 4.27Å; F451-A453 HydrophobicContact CE1-CB 4.3Å; F451-A453 HydrophobicContact CZ-CB 4.39Å
452	T	91.4	Very high	88.4	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.8	179.5	-35.6	0	0	0	0	110.2	H215 I422 L423	H215-T452 PolarHBondContact CE1-OG1 2.92Å; H215-T452 PolarHBondContact ND1-OG1 3.41Å; I422-T452 HydrophobicContact CG1-CG2 4.07Å; I422-T452 HydrophobicContact CG2-CG2 4.49Å; L423-T452 WeakPolarHBondContact CB-O 3.26Å; L423-T452 PolarHBondContact N-O 2.88Å
453	A	90.1	Very high	87.2	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	143.1	170.2	0	0	0	0	0	111.9	I208 L423 L425 L436 F451	I208-A453 HydrophobicContact CG2-CB 4.17Å; L423-A453 HydrophobicContact CB-CB 4.41Å; L423-A453 CarbonylContact O-C 3.5Å; L423-A453 VanDerWaalsContact O-CA 3.25Å; L423-A453 WeakPolarHBondContact O-CA 3.47Å; L425-A453 HydrophobicContact CD1-CB 3.78Å; L425-A453 HydrophobicContact CG-CB 4.25Å; L436-A453 HydrophobicContact CD1-CB 4.17Å; F451-A453 HydrophobicContact CE1-CB 4.3Å; F451-A453 HydrophobicContact CZ-CB 4.39Å
454	N	88.2	Confident	85.8	Confident	15 Å²	15	28 Å²	28	8%	0.08	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139	159.8	-77.2	-21.2	0	0	0	108	I422 L423 L425 R462	I422-N454 HydrophobicContact CG2-CB 4.23Å; I422-N454 WeakPolarHBondContact CG2-ND2 3.43Å; L423-N454 PolarHBondContact O-N 2.91Å; L425-N454 PolarHBondContact N-O 3.13Å; N454-R462 PolarHBondContact ND2-N 3.24Å; N454-R462 PolarHBondContact ND2-O 3.34Å; N454-R462 PolarHBondContact OD1-N 3.41Å
455	V	85.9	Confident	84.1	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	125.5	171.9	179.9	0	0	0	0	109.2	L425 I429 K430 G457 N458	L425-V455 HydrophobicContact CB-CG2 4.5Å; I429-V455 HydrophobicContact CG2-CB 4.33Å; I429-V455 HydrophobicContact CG2-CG1 3.64Å; I429-V455 HydrophobicContact CG2-CG2 3.72Å; K430-V455 HydrophobicContact CD-CG1 4.47Å; K430-V455 HydrophobicContact CG-CG1 4.01Å; V455-G457 PolarHBondContact O-N 3.36Å; V455-N458 VanDerWaalsContact O-CB 3.31Å; V455-N458 WeakPolarHBondContact O-CB 3.36Å; V455-N458 PolarHBondContact O-N 2.82Å; V455-N458 VanDerWaalsContact O-N 3.12Å
456	S	77.5	Confident	83	Confident	38 Å²	38	19.1 Å²	19.1	27%	0.266	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	138.3	178.2	-62.7	0	0	0	0	110.4	L425 E427 N458	L425-S456 VanDerWaalsContact O-CB 3.27Å; L425-S456 WeakPolarHBondContact O-CB 3.46Å; L425-S456 PolarHBondContact O-N 2.8Å; L425-S456 PolarHBondContact O-OG 3Å; E427-S456 WeakPolarHBondContact CB-O 3.3Å; S456-N458 VanDerWaalsContact C-N 3.31Å
457	G	76.5	Confident	82.4	Confident	64 Å²	64	16.7 Å²	16.7	66%	0.66	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.9	-9.5	-176.2	0	0	0	0	0	114.7	V455	V455-G457 PolarHBondContact O-N 3.36Å
458	N	84.4	Confident	81.6	Confident	10 Å²	10	15 Å²	15	5%	0.053	10%	0.1	C	C	.	.			trans	-73.6	139.6	171.1	-72.6	-0.7	0	0	0	111.1	C209 S212 K430 V455 S456 V461	C209-N458 PolarHBondContact O-ND2 3.21Å; C209-N458 PolarHBondContact O-OD1 2.84Å; S212-N458 PolarHBondContact OG-ND2 2.79Å; K430-N458 WeakPolarHBondContact CE-OD1 3.45Å; K430-N458 PolarHBondContact NZ-OD1 2.87Å; V455-N458 VanDerWaalsContact O-CB 3.31Å; V455-N458 WeakPolarHBondContact O-CB 3.36Å; V455-N458 PolarHBondContact O-N 2.82Å; V455-N458 VanDerWaalsContact O-N 3.12Å; S456-N458 VanDerWaalsContact C-N 3.31Å; N458-V461 WeakPolarHBondContact O-CG1 3.46Å
459	D	82.6	Confident	80.9	Confident	61 Å²	61	17.2 Å²	17.2	33%	0.326	11%	0.108	S	C	.	.	S	Bend	trans	-71.4	-34	175.3	-171.9	27.2	0	0	0	111.5	R469 L470 S471	D459-R469 HydrophobicContact CB-CG 4.47Å; D459-R469 CarbonylContact O-C 3.51Å; D459-R469 WeakPolarHBondContact O-CA 3.29Å; D459-R469 WeakPolarHBondContact OD1-CG 3.44Å; D459-R469 WeakPolarHBondContact OD2-CD 3.35Å; D459-R469 WeakPolarHBondContact OD2-CG 3.16Å; D459-R469 IonicContact OD2-NH1 3.92Å; D459-L470 PolarHBondContact O-N 3.45Å; D459-L470 PolarHBondContact OD1-N 2.87Å; D459-S471 WeakPolarHBondContact OD1-CB 3.41Å; D459-S471 PolarHBondContact OD1-N 2.77Å; D459-S471 PolarHBondContact OD1-OG 2.86Å; D459-S471 PolarHBondContact OD2-OG 2.62Å
460	L	85.5	Confident	79.8	Confident	4 Å²	4	20.6 Å²	20.6	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	120.1	170.5	-73.1	178.1	0	0	0	110.5	K181 V183 C211 S212 M467 V468 R469	K181-L460 VanDerWaalsContact C-CD1 3.41Å; K181-L460 HydrophobicContact CB-CD1 3.95Å; K181-L460 WeakPolarHBondContact O-CD1 3.5Å; V183-L460 HydrophobicContact CG2-CD2 3.84Å; C211-L460 HydrophobicContact CB-CD1 4.07Å; S212-L460 VanDerWaalsContact CB-O 3.32Å; S212-L460 WeakPolarHBondContact CB-O 3.24Å; S212-L460 PolarHBondContact OG-O 3.08Å; L460-M467 HydrophobicContact CB-SD 3.94Å; L460-M467 HydrophobicContact CD2-CG 4.1Å; L460-M467 HydrophobicContact CD2-SD 4.37Å; L460-V468 WeakPolarHBondContact CA-O 3.27Å; L460-R469 HydrophobicContact CD2-CB 3.99Å; L460-R469 HydrophobicContact CD2-CG 4.36Å
461	V	78.8	Confident	78.8	Confident	23 Å²	23	22.1 Å²	22.1	14%	0.139	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.5	176.4	-60.6	0	0	0	0	110.5	N458 V463 M467 V468 L470	N458-V461 WeakPolarHBondContact O-CG1 3.46Å; V461-V463 HydrophobicContact CG2-CG2 4.19Å; V461-M467 VanDerWaalsContact O-SD 3.33Å; V461-V468 HydrophobicContact CG2-CG2 3.64Å; V461-V468 PolarHBondContact N-O 3.46Å; V461-V468 WeakPolarHBondContact O-CG2 3.18Å; V461-V468 PolarHBondContact O-N 2.96Å; V461-L470 HydrophobicContact CG1-CD1 4Å; V461-L470 HydrophobicContact CG1-CG 4.32Å; V461-L470 HydrophobicContact CG2-CD1 4.28Å; V461-L470 HydrophobicContact CG2-CD2 3.6Å; V461-L470 HydrophobicContact CG2-CG 3.8Å
462	R	78.4	Confident	77.7	Confident	7 Å²	7	24 Å²	24	3%	0.026	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	124.7	167.5	-74.8	146.9	174.9	169	-10.4	110	N186 S212 Y237 I422 N454 Y466 M467	N186-R462 PolarHBondContact OD1-NH2 2.92Å; S212-R462 PolarHBondContact O-NH1 3.22Å; Y237-R462 WeakPolarHBondContact OH-CD 3.43Å; Y237-R462 PolarHBondContact OH-NE 3.45Å; I422-R462 HydrophobicContact CD1-CB 3.66Å; I422-R462 HydrophobicContact CG1-CB 4.42Å; I422-R462 HydrophobicContact CG2-CB 4.41Å; N454-R462 PolarHBondContact ND2-N 3.24Å; N454-R462 PolarHBondContact ND2-O 3.34Å; N454-R462 PolarHBondContact OD1-N 3.41Å; R462-Y466 WeakPolarHBondContact CA-O 3.36Å; R462-M467 HydrophobicContact CG-CE 3.54Å; R462-M467 HydrophobicContact CG-SD 4.01Å; R462-M467 VanDerWaalsContact NE-CE 3.28Å
463	V	65.8	Low	76.5	Confident	43 Å²	43	24.7 Å²	24.7	26%	0.261	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	116.1	171.3	178.6	0	0	0	0	106.6	V461 G465 Y466 V468	V461-V463 HydrophobicContact CG2-CG2 4.19Å; V463-G465 VanDerWaalsContact C-N 3.34Å; V463-G465 PolarHBondContact O-N 3Å; V463-Y466 HydrophobicContact CB-CE2 4.29Å; V463-Y466 PolarHBondContact N-O 2.96Å; V463-Y466 PolarHBondContact O-N 3.38Å; V463-Y466 VanDerWaalsContact O-N 3.1Å; V463-V468 HydrophobicContact CB-CG2 4.45Å; V463-V468 HydrophobicContact CG2-CG2 3.63Å
464	T	64.8	Low	75	Confident	25 Å²	25	30.7 Å²	30.7	15%	0.153	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	-82.8	-174.2	67.8	0	0	0	0	114.2	S379 G380 P389 I422 Y466	S379-T464 WeakPolarHBondContact CB-O 3.2Å; G380-T464 WeakPolarHBondContact O-CB 3.26Å; G380-T464 WeakPolarHBondContact O-CG2 3.4Å; G380-T464 PolarHBondContact O-OG1 3.5Å; P389-T464 HydrophobicContact CG-CG2 4.08Å; I422-T464 VanDerWaalsContact CD1-O 3.23Å; I422-T464 WeakPolarHBondContact CD1-O 3.49Å; T464-Y466 WeakPolarHBondContact OG1-CE1 3.3Å
465	G	61.6	Low	73.7	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-4.1	-176.2	0	0	0	0	0	115.4	V463	V463-G465 VanDerWaalsContact C-N 3.34Å; V463-G465 PolarHBondContact O-N 3Å
466	Y	68.6	Low	72.4	Confident	11 Å²	11	38 Å²	38	4%	0.043	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.3	-174.1	51	-88	0	0	0	112	R462 V463 T464 V468 L488 G489	R462-Y466 WeakPolarHBondContact CA-O 3.36Å; V463-Y466 HydrophobicContact CB-CE2 4.29Å; V463-Y466 PolarHBondContact N-O 2.96Å; V463-Y466 PolarHBondContact O-N 3.38Å; V463-Y466 VanDerWaalsContact O-N 3.1Å; T464-Y466 WeakPolarHBondContact OG1-CE1 3.3Å; Y466-V468 HydrophobicContact CD2-CG1 3.61Å; Y466-V468 HydrophobicContact CE2-CG1 3.68Å; Y466-L488 HydrophobicContact CE1-CB 4.3Å; Y466-L488 HydrophobicContact CE2-CB 4.07Å; Y466-L488 VanDerWaalsContact OH-C 3.26Å; Y466-L488 PolarHBondContact OH-O 3.17Å; Y466-L488 VanDerWaalsContact OH-O 3.13Å; Y466-G489 PolarHBondContact OH-N 3.07Å
467	M	79.6	Confident	71.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	136.2	175.6	-173	63.3	71.9	0	0	109.6	A156 V183 K213 L460 V461 R462	A156-M467 WeakPolarHBondContact CB-O 3.16Å; V183-M467 HydrophobicContact CG1-CB 4.17Å; V183-M467 HydrophobicContact CG1-CG 4.33Å; V183-M467 WeakPolarHBondContact CG1-O 3.33Å; K213-M467 HydrophobicContact CD-CE 3.77Å; K213-M467 HydrophobicContact CG-CE 3.35Å; L460-M467 HydrophobicContact CB-SD 3.94Å; L460-M467 HydrophobicContact CD2-CG 4.1Å; L460-M467 HydrophobicContact CD2-SD 4.37Å; V461-M467 VanDerWaalsContact O-SD 3.33Å; R462-M467 HydrophobicContact CG-CE 3.54Å; R462-M467 HydrophobicContact CG-SD 4.01Å; R462-M467 VanDerWaalsContact NE-CE 3.28Å
468	V	76.1	Confident	69.7	Low	6 Å²	6	42.7 Å²	42.7	4%	0.036	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	152.7	170.7	-60.6	0	0	0	0	109.8	L460 V461 V463 Y466 L473	L460-V468 WeakPolarHBondContact CA-O 3.27Å; V461-V468 HydrophobicContact CG2-CG2 3.64Å; V461-V468 PolarHBondContact N-O 3.46Å; V461-V468 WeakPolarHBondContact O-CG2 3.18Å; V461-V468 PolarHBondContact O-N 2.96Å; V463-V468 HydrophobicContact CB-CG2 4.45Å; V463-V468 HydrophobicContact CG2-CG2 3.63Å; Y466-V468 HydrophobicContact CD2-CG1 3.61Å; Y466-V468 HydrophobicContact CE2-CG1 3.68Å; V468-L473 HydrophobicContact CB-CD1 4.06Å; V468-L473 HydrophobicContact CG2-CD1 3.83Å
469	R	79.4	Confident	68.3	Low	47 Å²	47	50.4 Å²	50.4	18%	0.177	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	119.6	166.2	-169.8	-165.4	-52.6	-89.4	-5.8	108	K181 V183 D459 L460 S471 D472 L473	K181-R469 PolarHBondContact O-NH1 3.12Å; K181-R469 PolarHBondContact O-NH2 3.05Å; V183-R469 HydrophobicContact CG2-CB 3.83Å; D459-R469 HydrophobicContact CB-CG 4.47Å; D459-R469 CarbonylContact O-C 3.51Å; D459-R469 WeakPolarHBondContact O-CA 3.29Å; D459-R469 WeakPolarHBondContact OD1-CG 3.44Å; D459-R469 WeakPolarHBondContact OD2-CD 3.35Å; D459-R469 WeakPolarHBondContact OD2-CG 3.16Å; D459-R469 IonicContact OD2-NH1 3.92Å; L460-R469 HydrophobicContact CD2-CB 3.99Å; L460-R469 HydrophobicContact CD2-CG 4.36Å; R469-S471 VanDerWaalsContact C-N 3.26Å; R469-S471 WeakPolarHBondContact CD-OG 2.95Å; R469-S471 WeakPolarHBondContact CG-OG 3.3Å; R469-S471 PolarHBondContact O-N 2.95Å; R469-D472 HydrophobicContact CB-CB 3.99Å; R469-D472 WeakPolarHBondContact CB-OD2 3.42Å; R469-D472 VanDerWaalsContact CD-CG 3.46Å; R469-D472 VanDerWaalsContact CD-OD2 3.26Å; R469-D472 WeakPolarHBondContact CD-OD2 3.18Å; R469-D472 IonicContact NE-OD1 2.75Å; R469-D472 IonicContact NE-OD2 3.48Å; R469-D472 PolarHBondContact NE-OD2 3.01Å; R469-D472 PolarHBondContact O-N 3.2Å; R469-L473 PolarHBondContact O-N 3.29Å; R469-L473 VanDerWaalsContact O-N 3.09Å
470	L	72.6	Confident	66.8	Low	74 Å²	74	48.3 Å²	48.3	39%	0.387	25%	0.246	S	C	.	.	H	α-helix	trans	-57.7	-41.4	-178.1	-66.9	177.2	0	0	0	111.4	D459 V461 D472 L473 E474	D459-L470 PolarHBondContact O-N 3.45Å; D459-L470 PolarHBondContact OD1-N 2.87Å; V461-L470 HydrophobicContact CG1-CD1 4Å; V461-L470 HydrophobicContact CG1-CG 4.32Å; V461-L470 HydrophobicContact CG2-CD1 4.28Å; V461-L470 HydrophobicContact CG2-CD2 3.6Å; V461-L470 HydrophobicContact CG2-CG 3.8Å; L470-D472 VanDerWaalsContact C-N 3.32Å; L470-D472 PolarHBondContact O-N 2.79Å; L470-L473 HydrophobicContact CD2-CD1 4.26Å; L470-L473 WeakPolarHBondContact O-CB 3.18Å; L470-L473 PolarHBondContact O-N 2.92Å; L470-E474 PolarHBondContact O-N 3.32Å; L470-E474 VanDerWaalsContact O-N 3.07Å
471	S	73.7	Confident	65.6	Low	32 Å²	32	49.4 Å²	49.4	22%	0.224	26%	0.255	C	S	.	.	H	α-helix	trans	-66.6	-28.5	176.2	63.6	0	0	0	0	114	D459 R469 E474 K475	D459-S471 WeakPolarHBondContact OD1-CB 3.41Å; D459-S471 PolarHBondContact OD1-N 2.77Å; D459-S471 PolarHBondContact OD1-OG 2.86Å; D459-S471 PolarHBondContact OD2-OG 2.62Å; R469-S471 VanDerWaalsContact C-N 3.26Å; R469-S471 WeakPolarHBondContact CD-OG 2.95Å; R469-S471 WeakPolarHBondContact CG-OG 3.3Å; R469-S471 PolarHBondContact O-N 2.95Å; S471-E474 PolarHBondContact O-N 3.06Å; S471-K475 WeakPolarHBondContact O-CG 3.45Å; S471-K475 PolarHBondContact O-N 3.03Å
472	D	71.2	Confident	64.7	Low	40 Å²	40	54.6 Å²	54.6	21%	0.214	27%	0.271	C	S	.	.	H	α-helix	trans	-74.6	-34.5	173.2	-69.5	-24.5	0	0	0	111.1	R469 L470 E474 K475 Y476	R469-D472 HydrophobicContact CB-CB 3.99Å; R469-D472 WeakPolarHBondContact CB-OD2 3.42Å; R469-D472 VanDerWaalsContact CD-CG 3.46Å; R469-D472 VanDerWaalsContact CD-OD2 3.26Å; R469-D472 WeakPolarHBondContact CD-OD2 3.18Å; R469-D472 IonicContact NE-OD1 2.75Å; R469-D472 IonicContact NE-OD2 3.48Å; R469-D472 PolarHBondContact NE-OD2 3.01Å; R469-D472 PolarHBondContact O-N 3.2Å; L470-D472 VanDerWaalsContact C-N 3.32Å; L470-D472 PolarHBondContact O-N 2.79Å; D472-E474 VanDerWaalsContact C-N 3.28Å; D472-E474 PolarHBondContact O-N 3.06Å; D472-K475 PolarHBondContact O-N 3.42Å; D472-Y476 WeakPolarHBondContact O-CB 2.97Å; D472-Y476 PolarHBondContact O-N 3.33Å
473	L	64.7	Low	63.6	Low	17 Å²	17	54.7 Å²	54.7	9%	0.089	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-36.4	171.9	-69.9	167.6	0	0	0	111.5	V468 R469 L470 R477 T486	V468-L473 HydrophobicContact CB-CD1 4.06Å; V468-L473 HydrophobicContact CG2-CD1 3.83Å; R469-L473 PolarHBondContact O-N 3.29Å; R469-L473 VanDerWaalsContact O-N 3.09Å; L470-L473 HydrophobicContact CD2-CD1 4.26Å; L470-L473 WeakPolarHBondContact O-CB 3.18Å; L470-L473 PolarHBondContact O-N 2.92Å; L473-R477 WeakPolarHBondContact O-CG 3.35Å; L473-T486 HydrophobicContact CD2-CG2 3.68Å; L473-T486 WeakPolarHBondContact CD2-O 3.46Å; L473-T486 HydrophobicContact CG-CG2 4.29Å
474	E	59.6	Low	63.1	Low	126 Å²	126	53.9 Å²	53.9	59%	0.589	27%	0.267	S	S	*	.	H	α-helix	trans	-67.8	-46.2	174.4	-70.5	174.3	177.7	0	0	112	L470 S471 D472 R477	L470-E474 PolarHBondContact O-N 3.32Å; L470-E474 VanDerWaalsContact O-N 3.07Å; S471-E474 PolarHBondContact O-N 3.06Å; D472-E474 VanDerWaalsContact C-N 3.28Å; D472-E474 PolarHBondContact O-N 3.06Å; E474-R477 WeakPolarHBondContact O-CB 3.4Å; E474-R477 PolarHBondContact O-N 3.14Å
475	K	60.6	Low	62.4	Low	130 Å²	130	53 Å²	53	57%	0.565	26%	0.262	S	S	*	.	H	α-helix	trans	-65.1	-38.7	176.7	-74.1	176.8	-176.3	171.8	0	113.3	S471 D472 R477 A478 E479	S471-K475 WeakPolarHBondContact O-CG 3.45Å; S471-K475 PolarHBondContact O-N 3.03Å; D472-K475 PolarHBondContact O-N 3.42Å; K475-R477 PolarHBondContact O-N 2.99Å; K475-A478 WeakPolarHBondContact O-CA 3.38Å; K475-A478 PolarHBondContact O-N 3.41Å; K475-E479 PolarHBondContact O-N 3.15Å
476	Y	59.1	Low	61.6	Low	40 Å²	40	53.2 Å²	53.2	16%	0.157	26%	0.263	C	S	.	.	H	α-helix	trans	-53.2	-39.5	176.3	177.3	-107.7	0	0	0	112	D472 A478 G480 T486 E490	D472-Y476 WeakPolarHBondContact O-CB 2.97Å; D472-Y476 PolarHBondContact O-N 3.33Å; Y476-A478 PolarHBondContact O-N 3.45Å; Y476-G480 WeakPolarHBondContact CA-O 3.45Å; Y476-G480 VanDerWaalsContact CD2-C 3.48Å; Y476-G480 PolarHBondContact O-N 3.3Å; Y476-T486 HydrophobicContact CD1-CG2 4.39Å; Y476-T486 HydrophobicContact CD2-CG2 4.31Å; Y476-T486 HydrophobicContact CG-CG2 3.84Å; Y476-E490 HydrophobicContact CD1-CB 4.17Å; Y476-E490 HydrophobicContact CD1-CG 4.06Å; Y476-E490 HydrophobicContact CE1-CB 4.09Å; Y476-E490 HydrophobicContact CE1-CG 3.95Å
477	R	50.6	Low	60.5	Low	120 Å²	120	56.7 Å²	56.7	45%	0.453	28%	0.276	S	S	.	.	H	α-helix	trans	-62.8	-26.3	177.8	-65.5	165.8	-179	170.1	1.7	112.9	L473 E474 K475	L473-R477 WeakPolarHBondContact O-CG 3.35Å; E474-R477 WeakPolarHBondContact O-CB 3.4Å; E474-R477 PolarHBondContact O-N 3.14Å; K475-R477 PolarHBondContact O-N 2.99Å
478	A	46.7	Very low	58.7	Low	80 Å²	80	58.1 Å²	58.1	66%	0.661	28%	0.284	S	S	*	.	H	α-helix	trans	-94.1	-40.4	-179.8	0	0	0	0	0	113.1	K475 Y476	K475-A478 WeakPolarHBondContact O-CA 3.38Å; K475-A478 PolarHBondContact O-N 3.41Å; Y476-A478 PolarHBondContact O-N 3.45Å
479	E	54.9	Low	56.9	Low	173 Å²	173	58 Å²	58	81%	0.808	28%	0.284	S	S	*	.	H	α-helix	trans	-138	-0.1	-162	-63.7	177.2	-171.8	0	0	114.7	K475	K475-E479 PolarHBondContact O-N 3.15Å
480	G	50.6	Low	55.1	Low	16 Å²	16	57.8 Å²	57.8	17%	0.165	29%	0.285	C	S	.	.			trans	80.9	-179	-167.9	0	0	0	0	0	112.7	Y476	Y476-G480 WeakPolarHBondContact CA-O 3.45Å; Y476-G480 VanDerWaalsContact CD2-C 3.48Å; Y476-G480 PolarHBondContact O-N 3.3Å
481	S	60.2	Low	53.5	Low	28 Å²	28	56.7 Å²	56.7	20%	0.196	28%	0.277	C	S	.	.			trans	-142.4	148.7	-170.9	176.2	0	0	0	0	111.6	Q26 T483 T486	Q26-S481 PolarHBondContact NE2-O 2.91Å; S481-T483 PolarHBondContact OG-N 3.48Å; S481-T483 PolarHBondContact OG-OG1 2.94Å; S481-T486 WeakPolarHBondContact CB-OG1 3.41Å; S481-T486 PolarHBondContact OG-OG1 3.32Å
482	R	60.8	Low	51.9	Low	131 Å²	131	57.9 Å²	57.9	49%	0.494	29%	0.29	S	S	.	.	S	Bend	trans	-73	-31.6	170.5	-170.6	-177.1	71.5	-144.9	-3	112.5	D150 R151	D150-R482 IonicContact OD2-CZ 3.91Å; D150-R482 IonicContact OD2-NH2 2.79Å; D150-R482 PolarHBondContact OD2-NH2 3.07Å; R151-R482 VanDerWaalsContact CD-NH2 3.3Å
483	T	55	Low	50.4	Low	10 Å²	10	57.7 Å²	57.7	6%	0.061	29%	0.294	C	S	.	.	S	Bend	trans	-88	134.7	-171.4	56.2	0	0	0	0	111.9	P154 S481 T485 T486	P154-T483 HydrophobicContact CB-CG2 4.08Å; S481-T483 PolarHBondContact OG-N 3.48Å; S481-T483 PolarHBondContact OG-OG1 2.94Å; T483-T485 PolarHBondContact O-N 3.48Å; T483-T485 VanDerWaalsContact O-N 3.07Å; T483-T486 PolarHBondContact O-N 2.88Å; T483-T486 PolarHBondContact O-OG1 2.99Å; T483-T486 VanDerWaalsContact O-OG1 3.06Å; T483-T486 PolarHBondContact OG1-OG1 3.43Å
484	N	54.3	Low	49.7	Very low	26 Å²	26	61.1 Å²	61.1	14%	0.139	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-9.9	-175.3	-81.5	-12.7	0	0	0	113.5	Q26 P154 W487	Q26-N484 WeakPolarHBondContact CG-OD1 3.44Å; Q26-N484 PolarHBondContact NE2-OD1 2.85Å; P154-N484 PolarHBondContact O-N 2.83Å; P154-N484 VanDerWaalsContact O-N 3.16Å; N484-W487 PolarHBondContact O-NE1 3.37Å
485	T	50.9	Low	49.8	Very low	6 Å²	6	56.4 Å²	56.4	4%	0.037	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-3.7	-173.7	54.6	0	0	0	0	114	A156 F157 T483 W487 L488 G489	A156-T485 HydrophobicContact CB-CG2 3.64Å; A156-T485 WeakPolarHBondContact CB-OG1 3.45Å; F157-T485 HydrophobicContact CD2-CG2 4.39Å; F157-T485 HydrophobicContact CE2-CG2 4.41Å; T483-T485 PolarHBondContact O-N 3.48Å; T483-T485 VanDerWaalsContact O-N 3.07Å; T485-W487 PolarHBondContact O-N 3.48Å; T485-L488 HydrophobicContact CG2-CD1 4.12Å; T485-L488 WeakPolarHBondContact O-CB 3.42Å; T485-L488 PolarHBondContact O-N 2.84Å; T485-G489 PolarHBondContact O-N 3.17Å
486	T	45.3	Very low	50.2	Low	4 Å²	4	51.4 Å²	51.4	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-30.4	177.1	-26.1	0	0	0	0	111.4	L473 Y476 S481 T483 E490	L473-T486 HydrophobicContact CD2-CG2 3.68Å; L473-T486 WeakPolarHBondContact CD2-O 3.46Å; L473-T486 HydrophobicContact CG-CG2 4.29Å; Y476-T486 HydrophobicContact CD1-CG2 4.39Å; Y476-T486 HydrophobicContact CD2-CG2 4.31Å; Y476-T486 HydrophobicContact CG-CG2 3.84Å; S481-T486 WeakPolarHBondContact CB-OG1 3.41Å; S481-T486 PolarHBondContact OG-OG1 3.32Å; T483-T486 PolarHBondContact O-N 2.88Å; T483-T486 PolarHBondContact O-OG1 2.99Å; T483-T486 VanDerWaalsContact O-OG1 3.06Å; T483-T486 PolarHBondContact OG1-OG1 3.43Å; T486-E490 VanDerWaalsContact O-CB 3.3Å; T486-E490 WeakPolarHBondContact O-CB 3.32Å; T486-E490 PolarHBondContact O-N 2.99Å
487	W	43.9	Very low	50.9	Low	85 Å²	85	49.6 Å²	49.6	32%	0.322	26%	0.258	S	S	.	.	H	α-helix	trans	-69.9	-34.5	175.1	78.4	-91.7	0	0	0	113.4	F30 N484 T485 E490 E491	F30-W487 HydrophobicContact CE1-CZ2 4.37Å; F30-W487 AromaticContact CZ-NE1 3.88Å; N484-W487 PolarHBondContact O-NE1 3.37Å; T485-W487 PolarHBondContact O-N 3.48Å; W487-E490 PolarHBondContact O-N 3.1Å; W487-E491 WeakPolarHBondContact O-CB 3.26Å; W487-E491 PolarHBondContact O-N 2.9Å
488	L	42.5	Very low	52.3	Low	30 Å²	30	44.7 Å²	44.7	16%	0.157	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-44.8	176.3	-72.4	170.5	0	0	0	110.5	F157 Y466 T485 A492	F157-L488 HydrophobicContact CE2-CD1 3.94Å; F157-L488 HydrophobicContact CZ-CD1 4.42Å; Y466-L488 HydrophobicContact CE1-CB 4.3Å; Y466-L488 HydrophobicContact CE2-CB 4.07Å; Y466-L488 VanDerWaalsContact OH-C 3.26Å; Y466-L488 PolarHBondContact OH-O 3.17Å; Y466-L488 VanDerWaalsContact OH-O 3.13Å; T485-L488 HydrophobicContact CG2-CD1 4.12Å; T485-L488 WeakPolarHBondContact O-CB 3.42Å; T485-L488 PolarHBondContact O-N 2.84Å; L488-A492 PolarHBondContact O-N 2.83Å
489	G	38.9	Very low	54	Low	4 Å²	4	46.8 Å²	46.8	4%	0.041	24%	0.236	C	C	.	.	H	α-helix	trans	-67.8	-35.8	175.1	0	0	0	0	0	113	Y466 T485 A493	Y466-G489 PolarHBondContact OH-N 3.07Å; T485-G489 PolarHBondContact O-N 3.17Å; G489-A493 VanDerWaalsContact O-CB 3.27Å; G489-A493 WeakPolarHBondContact O-CB 3.24Å; G489-A493 PolarHBondContact O-N 3.26Å; G489-A493 VanDerWaalsContact O-N 3.1Å
490	E	41.2	Very low	55.4	Low	42 Å²	42	40 Å²	40	20%	0.196	21%	0.205	C	C	.	.	H	α-helix	trans	-66.8	-44.7	176.6	-173.5	-100.7	140.9	0	0	111.9	Y476 T486 W487 A492 A493 R494	Y476-E490 HydrophobicContact CD1-CB 4.17Å; Y476-E490 HydrophobicContact CD1-CG 4.06Å; Y476-E490 HydrophobicContact CE1-CB 4.09Å; Y476-E490 HydrophobicContact CE1-CG 3.95Å; T486-E490 VanDerWaalsContact O-CB 3.3Å; T486-E490 WeakPolarHBondContact O-CB 3.32Å; T486-E490 PolarHBondContact O-N 2.99Å; W487-E490 PolarHBondContact O-N 3.1Å; E490-A492 VanDerWaalsContact C-N 3.35Å; E490-A492 PolarHBondContact O-N 2.83Å; E490-A493 CarbonylContact O-C 3.41Å; E490-A493 WeakPolarHBondContact O-CA 3.25Å; E490-A493 PolarHBondContact O-N 3.39Å; E490-R494 WeakPolarHBondContact O-CG 3.36Å; E490-R494 PolarHBondContact O-N 2.97Å; E490-R494 VanDerWaalsContact O-N 3.09Å; E490-R494 IonicContact OE1-CZ 2.83Å; E490-R494 IonicContact OE1-NE 3.41Å; E490-R494 PolarHBondContact OE1-NE 3.3Å; E490-R494 IonicContact OE1-NH2 2.83Å; E490-R494 IonicContact OE2-CZ 3.54Å; E490-R494 IonicContact OE2-NE 3.55Å; E490-R494 IonicContact OE2-NH2 3.43Å; E490-R494 PolarHBondContact OE2-NH2 2.7Å
491	E	39.3	Very low	56.7	Low	50 Å²	50	41.2 Å²	41.2	23%	0.234	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-40.1	179.8	-161.2	174.1	-144	0	0	111.7	S382 W487 A493 R494 K557	S382-E491 WeakPolarHBondContact CB-OE2 3.43Å; S382-E491 PolarHBondContact OG-OE2 2.78Å; W487-E491 WeakPolarHBondContact O-CB 3.26Å; W487-E491 PolarHBondContact O-N 2.9Å; E491-A493 VanDerWaalsContact C-N 3.26Å; E491-A493 PolarHBondContact O-N 2.99Å; E491-R494 WeakPolarHBondContact O-CB 3.34Å; E491-R494 PolarHBondContact O-N 2.73Å; E491-R494 IonicContact OE1-NH1 3.46Å; E491-K557 IonicContact OE1-NZ 3.78Å
492	A	38.7	Very low	57	Low	58 Å²	58	43.7 Å²	43.7	48%	0.479	22%	0.222	S	C	.	.	H	α-helix	trans	-65.3	-29	172.1	0	0	0	0	0	112.8	L488 E490	L488-A492 PolarHBondContact O-N 2.83Å; E490-A492 VanDerWaalsContact C-N 3.35Å; E490-A492 PolarHBondContact O-N 2.83Å
493	A	41.5	Very low	57.4	Low	36 Å²	36	42.8 Å²	42.8	30%	0.298	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	7.9	178.4	0	0	0	0	0	114	G489 E490 E491 N495	G489-A493 VanDerWaalsContact O-CB 3.27Å; G489-A493 WeakPolarHBondContact O-CB 3.24Å; G489-A493 PolarHBondContact O-N 3.26Å; G489-A493 VanDerWaalsContact O-N 3.1Å; E490-A493 CarbonylContact O-C 3.41Å; E490-A493 WeakPolarHBondContact O-CA 3.25Å; E490-A493 PolarHBondContact O-N 3.39Å; E491-A493 VanDerWaalsContact C-N 3.26Å; E491-A493 PolarHBondContact O-N 2.99Å; A493-N495 PolarHBondContact O-N 2.84Å; A493-N495 PolarHBondContact O-ND2 3.25Å; A493-N495 PolarHBondContact O-OD1 2.99Å
494	R	49	Very low	58.3	Low	88 Å²	88	42.8 Å²	42.8	33%	0.332	22%	0.223	S	C	.	.			trans	-66.8	101.7	-177.6	-83	-178	-175.1	162.2	8.3	111.8	E490 E491 T496	E490-R494 WeakPolarHBondContact O-CG 3.36Å; E490-R494 PolarHBondContact O-N 2.97Å; E490-R494 VanDerWaalsContact O-N 3.09Å; E490-R494 IonicContact OE1-CZ 2.83Å; E490-R494 IonicContact OE1-NE 3.41Å; E490-R494 PolarHBondContact OE1-NE 3.3Å; E490-R494 IonicContact OE1-NH2 2.83Å; E490-R494 IonicContact OE2-CZ 3.54Å; E490-R494 IonicContact OE2-NE 3.55Å; E490-R494 IonicContact OE2-NH2 3.43Å; E490-R494 PolarHBondContact OE2-NH2 2.7Å; E491-R494 WeakPolarHBondContact O-CB 3.34Å; E491-R494 PolarHBondContact O-N 2.73Å; E491-R494 IonicContact OE1-NH1 3.46Å; R494-T496 PolarHBondContact O-N 3.38Å; R494-T496 PolarHBondContact O-OG1 3.17Å
495	N	61.1	Low	59.1	Low	28 Å²	28	45.8 Å²	45.8	15%	0.15	25%	0.245	C	C	.	.			trans	-69.9	112.8	176.5	-48.7	-53.2	0	0	0	109	A493 S585 M586 F618	A493-N495 PolarHBondContact O-N 2.84Å; A493-N495 PolarHBondContact O-ND2 3.25Å; A493-N495 PolarHBondContact O-OD1 2.99Å; N495-S585 VanDerWaalsContact O-CA 3.25Å; N495-S585 WeakPolarHBondContact O-CA 3.47Å; N495-M586 PolarHBondContact O-N 3.35Å; N495-M586 VanDerWaalsContact O-N 3.1Å; N495-F618 HydrophobicContact CB-CB 4.24Å; N495-F618 HydrophobicContact CB-CD1 4.27Å; N495-F618 HydrophobicContact CB-CD2 3.71Å; N495-F618 HydrophobicContact CB-CE2 4.06Å; N495-F618 HydrophobicContact CB-CG 3.8Å; N495-F618 HydrophobicContact CB-CZ 4.5Å; N495-F618 VanDerWaalsContact CG-CB 3.49Å; N495-F618 VanDerWaalsContact CG-CG 3.46Å; N495-F618 WeakPolarHBondContact ND2-CD2 3.27Å; N495-F618 VanDerWaalsContact OD1-CB 3.25Å; N495-F618 WeakPolarHBondContact OD1-CB 3.45Å
496	T	69.5	Low	60.1	Low	25 Å²	25	50.2 Å²	50.2	15%	0.153	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	118.8	-175.1	-8.6	0	0	0	0	109.5	R494 Q518 R535 A583 Q584 Q615	R494-T496 PolarHBondContact O-N 3.38Å; R494-T496 PolarHBondContact O-OG1 3.17Å; T496-Q518 WeakPolarHBondContact O-CB 3.33Å; T496-Q518 PolarHBondContact O-N 2.67Å; T496-R535 PolarHBondContact OG1-NH1 2.84Å; T496-A583 HydrophobicContact CG2-CB 3.84Å; T496-Q584 WeakPolarHBondContact CA-O 3.33Å; T496-Q615 PolarHBondContact O-NE2 3.15Å; T496-Q615 VanDerWaalsContact O-NE2 3.13Å
497	L	74.6	Confident	61.7	Low	2 Å²	2	50.8 Å²	50.8	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.7	-177.6	-132.6	156.3	0	0	0	107.7	K499 I500 L515 L517 A583 Q584 M586 V591	L497-K499 WeakPolarHBondContact CD2-O 3.2Å; L497-I500 HydrophobicContact CD2-CG1 3.79Å; L497-L515 HydrophobicContact CD1-CD2 4.15Å; L497-L515 HydrophobicContact CD2-CB 4.25Å; L497-L515 HydrophobicContact CD2-CD2 4.22Å; L497-L517 HydrophobicContact CB-CD2 4.48Å; L497-L517 HydrophobicContact CD1-CD2 4.19Å; L497-L517 HydrophobicContact CG-CD2 3.79Å; L497-A583 WeakPolarHBondContact O-CA 3.34Å; L497-Q584 PolarHBondContact N-O 3.36Å; L497-Q584 PolarHBondContact O-N 2.86Å; L497-M586 HydrophobicContact CB-CE 4.17Å; L497-M586 HydrophobicContact CB-SD 4.37Å; L497-M586 HydrophobicContact CD1-CB 4.37Å; L497-M586 HydrophobicContact CD1-SD 4.04Å; L497-V591 HydrophobicContact CD1-CG2 3.63Å
498	S	80.3	Confident	63.4	Low	17 Å²	17	47.2 Å²	47.2	12%	0.119	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-34.5	-178.2	66	0	0	0	0	112.9	F516	S498-F516 PolarHBondContact N-O 3.28Å; S498-F516 VanDerWaalsContact OG-CB 3.31Å; S498-F516 WeakPolarHBondContact OG-CB 3.35Å; S498-F516 PolarHBondContact OG-O 2.87Å
499	K	81.9	Confident	65	Low	123 Å²	123	49.8 Å²	49.8	54%	0.535	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	140	-174	-166.8	171.7	-176	174.1	0	110.9	L497 I501 F516	L497-K499 WeakPolarHBondContact CD2-O 3.2Å; K499-I501 HydrophobicContact CD-CG1 4.38Å; K499-I501 HydrophobicContact CG-CG1 4.35Å; K499-F516 HydrophobicContact CB-CB 4.14Å; K499-F516 PolarHBondContact O-N 2.84Å
500	I	84.6	Confident	66.8	Low	30 Å²	30	51.3 Å²	51.3	15%	0.154	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.6	164.8	-58.5	-175.4	0	0	0	107	L497 P502 L513 L515 M586 H594	L497-I500 HydrophobicContact CD2-CG1 3.79Å; I500-P502 WeakPolarHBondContact O-CD 3.3Å; I500-L513 HydrophobicContact CG2-CD1 4.2Å; I500-L513 HydrophobicContact CG2-CD2 4.15Å; I500-L513 HydrophobicContact CG2-CG 4.22Å; I500-L515 HydrophobicContact CB-CD2 4.36Å; I500-L515 HydrophobicContact CD1-CD2 4.06Å; I500-L515 HydrophobicContact CG1-CD2 3.76Å; I500-L515 HydrophobicContact CG2-CD2 4.07Å; I500-M586 HydrophobicContact CD1-CE 3.92Å; I500-M586 HydrophobicContact CD1-SD 3.72Å; I500-M586 HydrophobicContact CG1-CE 4.29Å; I500-H594 HydrophobicContact CD1-CB 4.13Å
501	I	78	Confident	68.5	Low	43 Å²	43	50.4 Å²	50.4	22%	0.221	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	102.8	169.5	-54.1	-179	0	0	0	106.3	K499 F503 L513 A514 F516	K499-I501 HydrophobicContact CD-CG1 4.38Å; K499-I501 HydrophobicContact CG-CG1 4.35Å; I501-F503 WeakPolarHBondContact CG2-O 3.24Å; I501-F503 PolarHBondContact O-N 3.27Å; I501-F503 VanDerWaalsContact O-N 3.14Å; I501-L513 WeakPolarHBondContact O-CA 3.38Å; I501-A514 HydrophobicContact CB-CB 4.18Å; I501-A514 PolarHBondContact N-O 3.31Å; I501-A514 PolarHBondContact O-N 3.12Å; I501-F516 HydrophobicContact CD1-CD2 4.14Å; I501-F516 HydrophobicContact CD1-CE2 3.54Å; I501-F516 HydrophobicContact CD1-CZ 4.13Å; I501-F516 HydrophobicContact CG1-CD2 4.4Å; I501-F516 HydrophobicContact CG1-CE2 4.23Å
502	P	65.2	Low	70.9	Confident	79 Å²	79	48.2 Å²	48.2	51%	0.513	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	-26.3	-173.2	-24.6	35	0	0	0	113.8	I500	I500-P502 WeakPolarHBondContact O-CD 3.3Å
503	F	69.3	Low	73.5	Confident	113 Å²	113	45.5 Å²	45.5	50%	0.496	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	117.4	-179	-174.7	-84.7	0	0	0	109.9	I501 C505 R512 F601 I602	I501-F503 WeakPolarHBondContact CG2-O 3.24Å; I501-F503 PolarHBondContact O-N 3.27Å; I501-F503 VanDerWaalsContact O-N 3.14Å; F503-C505 WeakPolarHBondContact CE1-SG 3.45Å; F503-R512 CarbonylContact C-O 3.58Å; F503-F601 HydrophobicContact CD2-CB 4.42Å; F503-F601 WeakPolarHBondContact CE2-O 3.38Å; F503-I602 HydrophobicContact CD2-CG2 4.43Å
504	S	73.5	Confident	75.8	Confident	9 Å²	9	43.8 Å²	43.8	6%	0.063	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	141.7	177	179.2	0	0	0	0	110.5	V506 D507 S511 R512	S504-V506 WeakPolarHBondContact OG-CG2 3.42Å; S504-V506 PolarHBondContact OG-N 2.96Å; S504-D507 WeakPolarHBondContact CB-OD2 3.4Å; S504-D507 PolarHBondContact OG-N 3.29Å; S504-D507 PolarHBondContact OG-OD2 2.94Å; S504-S511 WeakPolarHBondContact O-CA 3.41Å; S504-R512 PolarHBondContact N-O 3.47Å; S504-R512 PolarHBondContact O-N 3.18Å
505	C	71.9	Confident	77.9	Confident	89 Å²	89	39.6 Å²	39.6	60%	0.601	23%	0.233	S	C	*	.	S	Bend	trans	-107.5	4.8	174.8	-54.7	0	0	0	0	112.7	F503	F503-C505 WeakPolarHBondContact CE1-SG 3.45Å
506	V	71.4	Confident	79.3	Confident	99 Å²	99	39.1 Å²	39.1	60%	0.6	23%	0.23	S	C	*	.	S	Bend	trans	-119.3	-19.6	-173.5	-63.1	0	0	0	0	113.3	S504 G508	S504-V506 WeakPolarHBondContact OG-CG2 3.42Å; S504-V506 PolarHBondContact OG-N 2.96Å; V506-G508 PolarHBondContact O-N 2.87Å; V506-G508 VanDerWaalsContact O-N 3.13Å
507	D	79.2	Confident	80.4	Confident	17 Å²	17	38 Å²	38	9%	0.091	22%	0.223	C	C	.	.	S	Bend	trans	-86.4	31	-177	-60.7	-58.7	0	0	0	113.1	S504 R512 A514 T606 M661	S504-D507 WeakPolarHBondContact CB-OD2 3.4Å; S504-D507 PolarHBondContact OG-N 3.29Å; S504-D507 PolarHBondContact OG-OD2 2.94Å; D507-R512 WeakPolarHBondContact O-CD 3.23Å; D507-A514 HydrophobicContact CB-CB 3.98Å; D507-A514 WeakPolarHBondContact OD2-CB 3.36Å; D507-T606 HydrophobicContact CB-CG2 4.32Å; D507-T606 WeakPolarHBondContact O-CB 3.48Å; D507-T606 WeakPolarHBondContact O-CG2 3.45Å; D507-T606 PolarHBondContact O-OG1 2.93Å; D507-M661 WeakPolarHBondContact O-CE 3.13Å
508	G	79.9	Confident	81.1	Confident	9 Å²	9	38 Å²	38	9%	0.093	22%	0.223	C	C	.	.	S	Bend	trans	131.2	-176.9	178.8	0	0	0	0	0	113.3	V506	V506-G508 PolarHBondContact O-N 2.87Å; V506-G508 VanDerWaalsContact O-N 3.13Å
509	P	76.7	Confident	81.3	Confident	84 Å²	84	37.6 Å²	37.6	55%	0.545	22%	0.222	S	C	.	.	S	Bend	trans	-65.9	141.6	178.6	-19	32.3	0	0	0	112.3	R512	P509-R512 WeakPolarHBondContact O-CD 3.36Å; P509-R512 WeakPolarHBondContact O-CG 3.36Å; P509-R512 PolarHBondContact O-NH1 3.4Å
510	G	77.1	Confident	81.5	Confident	36 Å²	36	32.7 Å²	32.7	37%	0.371	20%	0.202	S	C	.	.	S	Bend	trans	73.8	-165.1	179.9	0	0	0	0	0	113.3	E603	G510-E603 WeakPolarHBondContact CA-OE2 3.41Å
511	S	76.2	Confident	81.4	Confident	24 Å²	24	33.1 Å²	33.1	17%	0.168	21%	0.205	C	C	.	.	S	Bend	trans	-86.9	132.6	167.5	50.3	0	0	0	0	110.1	S504 F601 I602 E603	S504-S511 WeakPolarHBondContact O-CA 3.41Å; S511-F601 WeakPolarHBondContact CB-O 3.4Å; S511-F601 PolarHBondContact OG-O 2.89Å; S511-I602 CarbonylContact O-C 3.47Å; S511-I602 WeakPolarHBondContact O-CA 3.35Å; S511-E603 PolarHBondContact O-N 2.97Å
512	R	90.3	Very high	81.9	Confident	4 Å²	4	31.1 Å²	31.1	2%	0.015	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	149.6	-174.7	-49	-174.2	74	76.3	7.3	111.8	F503 S504 D507 P509 G604 I605 T606 T636 L638	F503-R512 CarbonylContact C-O 3.58Å; S504-R512 PolarHBondContact N-O 3.47Å; S504-R512 PolarHBondContact O-N 3.18Å; D507-R512 WeakPolarHBondContact O-CD 3.23Å; P509-R512 WeakPolarHBondContact O-CD 3.36Å; P509-R512 WeakPolarHBondContact O-CG 3.36Å; P509-R512 PolarHBondContact O-NH1 3.4Å; R512-G604 CarbonylContact C-O 3.55Å; R512-G604 VanDerWaalsContact CA-O 3.23Å; R512-G604 WeakPolarHBondContact CA-O 3.3Å; R512-I605 PolarHBondContact NH2-O 3.44Å; R512-T606 WeakPolarHBondContact CD-OG1 3.22Å; R512-T606 PolarHBondContact NE-OG1 2.94Å; R512-T636 PolarHBondContact NH1-OG1 3.42Å; R512-T636 PolarHBondContact NH2-O 2.88Å; R512-T636 PolarHBondContact NH2-OG1 2.77Å; R512-L638 VanDerWaalsContact CZ-CD1 3.49Å
513	L	91.7	Very high	82.8	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	125.2	163.1	-179.7	150.9	0	0	0	108.5	I500 I501 L515 V595 A598 I602 G604 I605 T606	I500-L513 HydrophobicContact CG2-CD1 4.2Å; I500-L513 HydrophobicContact CG2-CD2 4.15Å; I500-L513 HydrophobicContact CG2-CG 4.22Å; I501-L513 WeakPolarHBondContact O-CA 3.38Å; L513-L515 HydrophobicContact CD2-CD1 4.35Å; L513-L515 HydrophobicContact CD2-CD2 3.5Å; L513-L515 VanDerWaalsContact CD2-CD2 3.5Å; L513-L515 HydrophobicContact CD2-CG 3.65Å; L513-V595 HydrophobicContact CD1-CG2 4.37Å; L513-V595 HydrophobicContact CD2-CG2 4.31Å; L513-A598 HydrophobicContact CD1-CB 3.99Å; L513-I602 HydrophobicContact CB-CD1 3.66Å; L513-I602 HydrophobicContact CB-CG2 4.45Å; L513-G604 PolarHBondContact N-O 2.95Å; L513-I605 HydrophobicContact CB-CG2 4.28Å; L513-I605 HydrophobicContact CD2-CG2 4.49Å; L513-I605 CarbonylContact O-C 3.11Å; L513-I605 VanDerWaalsContact O-CA 3.22Å; L513-I605 WeakPolarHBondContact O-CA 3.27Å; L513-T606 PolarHBondContact O-N 3.39Å
514	A	90	Very high	83.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	131.7	-179.6	0	0	0	0	0	111.6	I501 D507 F516 T606	I501-A514 HydrophobicContact CB-CB 4.18Å; I501-A514 PolarHBondContact N-O 3.31Å; I501-A514 PolarHBondContact O-N 3.12Å; D507-A514 HydrophobicContact CB-CB 3.98Å; D507-A514 WeakPolarHBondContact OD2-CB 3.36Å; A514-F516 HydrophobicContact CB-CD2 4.37Å; A514-F516 HydrophobicContact CB-CE2 3.9Å; A514-T606 CarbonylContact C-O 3.6Å; A514-T606 VanDerWaalsContact CA-O 3.29Å; A514-T606 WeakPolarHBondContact CA-O 3.47Å
515	L	93.4	Very high	84.6	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	113.7	179.9	-61.8	172.4	0	0	0	109.3	L497 I500 L513 V591 T606 V607 S608 L622	L497-L515 HydrophobicContact CD1-CD2 4.15Å; L497-L515 HydrophobicContact CD2-CB 4.25Å; L497-L515 HydrophobicContact CD2-CD2 4.22Å; I500-L515 HydrophobicContact CB-CD2 4.36Å; I500-L515 HydrophobicContact CD1-CD2 4.06Å; I500-L515 HydrophobicContact CG1-CD2 3.76Å; I500-L515 HydrophobicContact CG2-CD2 4.07Å; L513-L515 HydrophobicContact CD2-CD1 4.35Å; L513-L515 HydrophobicContact CD2-CD2 3.5Å; L513-L515 VanDerWaalsContact CD2-CD2 3.5Å; L513-L515 HydrophobicContact CD2-CG 3.65Å; L515-V591 HydrophobicContact CD1-CG1 3.46Å; L515-V591 VanDerWaalsContact CD1-CG1 3.46Å; L515-V591 HydrophobicContact CD2-CG1 3.98Å; L515-V591 HydrophobicContact CG-CG1 4.37Å; L515-T606 PolarHBondContact N-O 3.19Å; L515-V607 HydrophobicContact CB-CG1 4.31Å; L515-V607 HydrophobicContact CD1-CG1 4.13Å; L515-S608 CarbonylContact O-C 3.49Å; L515-S608 PolarHBondContact O-N 2.79Å; L515-S608 VanDerWaalsContact O-O 3.1Å; L515-L622 HydrophobicContact CD1-CD2 3.48Å; L515-L622 VanDerWaalsContact CD1-CD2 3.48Å
516	F	91	Very high	85.4	Confident	18 Å²	18	29 Å²	29	8%	0.079	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	101.1	-179.1	-79.1	-116.3	0	0	0	110.2	S498 K499 I501 A514 S608	S498-F516 PolarHBondContact N-O 3.28Å; S498-F516 VanDerWaalsContact OG-CB 3.31Å; S498-F516 WeakPolarHBondContact OG-CB 3.35Å; S498-F516 PolarHBondContact OG-O 2.87Å; K499-F516 HydrophobicContact CB-CB 4.14Å; K499-F516 PolarHBondContact O-N 2.84Å; I501-F516 HydrophobicContact CD1-CD2 4.14Å; I501-F516 HydrophobicContact CD1-CE2 3.54Å; I501-F516 HydrophobicContact CD1-CZ 4.13Å; I501-F516 HydrophobicContact CG1-CD2 4.4Å; I501-F516 HydrophobicContact CG1-CE2 4.23Å; A514-F516 HydrophobicContact CB-CD2 4.37Å; A514-F516 HydrophobicContact CB-CE2 3.9Å; F516-S608 WeakPolarHBondContact CA-O 3.39Å
517	L	92	Very high	86.3	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	154.6	178.9	-64.2	171.7	0	0	0	112.2	L497 V607 S608 G609 G610 A612 Q615 F618 V619	L497-L517 HydrophobicContact CB-CD2 4.48Å; L497-L517 HydrophobicContact CD1-CD2 4.19Å; L497-L517 HydrophobicContact CG-CD2 3.79Å; L517-V607 HydrophobicContact CD1-CB 4.39Å; L517-S608 PolarHBondContact N-O 2.65Å; L517-G609 WeakPolarHBondContact O-CA 3.27Å; L517-G610 PolarHBondContact O-N 2.85Å; L517-G610 VanDerWaalsContact O-N 3.08Å; L517-A612 HydrophobicContact CD1-CB 4Å; L517-Q615 HydrophobicContact CD1-CB 4.35Å; L517-F618 HydrophobicContact CD1-CD1 4.17Å; L517-F618 HydrophobicContact CD1-CE1 4.35Å; L517-F618 HydrophobicContact CD2-CD1 4.05Å; L517-F618 HydrophobicContact CD2-CE1 3.74Å; L517-V619 HydrophobicContact CD1-CG2 3.88Å
518	Q	88.8	Confident	86.4	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.009	16%	0.156	C	C	.	.	S	Bend	trans	-91.8	146.4	178.1	-79.9	-66.7	-6.8	0	0	113.6	T496 W531 T532 G534 R535 A583 Q615	T496-Q518 WeakPolarHBondContact O-CB 3.33Å; T496-Q518 PolarHBondContact O-N 2.67Å; Q518-W531 PolarHBondContact NE2-O 3.46Å; Q518-W531 PolarHBondContact OE1-O 2.76Å; Q518-T532 PolarHBondContact OE1-O 2.76Å; Q518-T532 VanDerWaalsContact OE1-O 3.06Å; Q518-G534 PolarHBondContact OE1-O 3.18Å; Q518-R535 HydrophobicContact CB-CG 4.36Å; Q518-R535 PolarHBondContact O-NH2 2.96Å; Q518-A583 HydrophobicContact CG-CB 3.77Å; Q518-Q615 PolarHBondContact O-NE2 3.32Å
519	G	84.6	Confident	86.8	Confident	9 Å²	9	30.2 Å²	30.2	9%	0.093	17%	0.165	C	C	.	.			trans	99.3	129.7	-179.6	0	0	0	0	0	111.7	T532 M533 E611 T614	G519-T532 PolarHBondContact N-O 2.83Å; G519-M533 CarbonylContact C-O 3.53Å; G519-M533 VanDerWaalsContact CA-O 3.3Å; G519-M533 WeakPolarHBondContact CA-O 3.21Å; G519-E611 PolarHBondContact O-N 3.29Å; G519-T614 PolarHBondContact O-OG1 2.89Å
520	C	86.8	Confident	87.3	Confident	20 Å²	20	26.6 Å²	26.6	14%	0.135	14%	0.141	C	C	.	.			trans	-135.3	144	171.4	-165.9	0	0	0	0	109.8	L522 R523 M533 E611	C520-L522 PolarHBondContact SG-N 3.2Å; C520-R523 PolarHBondContact O-NH1 3.26Å; C520-M533 HydrophobicContact CB-CB 4.22Å; C520-M533 HydrophobicContact CB-CG 4.14Å; C520-M533 PolarHBondContact N-O 2.85Å; C520-E611 HydrophobicContact CB-CB 4.41Å
521	N	83.4	Confident	87.9	Confident	39 Å²	39	27.3 Å²	27.3	21%	0.209	13%	0.133	C	C	.	.	S	Bend	trans	-92.5	-2	174.1	56.5	-4.8	0	0	0	113.3	T614 N642 M644 R678	N521-T614 HydrophobicContact CB-CG2 4.47Å; N521-N642 PolarHBondContact OD1-ND2 2.98Å; N521-M644 VanDerWaalsContact ND2-CB 3.27Å; N521-M644 WeakPolarHBondContact ND2-CB 3.43Å; N521-R678 PolarHBondContact O-NE 2.97Å
522	L	86.8	Confident	88.5	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.125	C	C	.	.			trans	-108	163.1	169	-60.7	-176.5	0	0	0	111.4	C520 N642 M644 R678	C520-L522 PolarHBondContact SG-N 3.2Å; L522-N642 HydrophobicContact CD1-CB 3.61Å; L522-N642 HydrophobicContact CG-CB 4.49Å; L522-M644 HydrophobicContact CD2-CG 4.08Å; L522-M644 HydrophobicContact CG-CG 4.35Å; L522-R678 HydrophobicContact CD2-CB 3.69Å; L522-R678 HydrophobicContact CD2-CG 3.75Å
523	R	86	Confident	88.2	Confident	136 Å²	136	26.4 Å²	26.4	51%	0.513	13%	0.126	S	C	.	.			trans	-128.5	57.1	175.9	-64.6	-66.4	178.1	-90.8	0.7	109.9	C520 K525 T676	C520-R523 PolarHBondContact O-NH1 3.26Å; R523-K525 PolarHBondContact O-N 3.25Å; R523-K525 VanDerWaalsContact O-N 3.15Å; R523-T676 CarbonylContact C-O 3.29Å; R523-T676 PolarHBondContact N-O 3.02Å
524	C	90.1	Very high	87.8	Confident	14 Å²	14	26.9 Å²	26.9	10%	0.095	13%	0.131	C	C	.	.			trans	-59.4	115.5	-177.9	-57.7	0	0	0	0	110.8	N526 C527 M533 K665 L675	C524-N526 WeakPolarHBondContact CB-OD1 3.44Å; C524-N526 PolarHBondContact O-N 3Å; C524-N526 VanDerWaalsContact O-N 3.15Å; C524-C527 HydrophobicContact CB-CB 4.21Å; C524-C527 WeakPolarHBondContact O-CB 3.29Å; C524-C527 PolarHBondContact O-N 3.43Å; C524-C527 VanDerWaalsContact O-N 3.1Å; C524-M533 HydrophobicContact CB-CE 4.46Å; C524-M533 WeakPolarHBondContact O-CE 3.33Å; C524-K665 VanDerWaalsContact SG-CD 3.57Å; C524-K665 VanDerWaalsContact SG-CE 3.52Å; C524-L675 WeakPolarHBondContact CA-O 3.33Å
525	K	89.2	Confident	87.5	Confident	89 Å²	89	30.5 Å²	30.5	39%	0.387	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.7	178.1	-70.8	160.8	164.4	-158.4	0	112.4	R523 Q674 L675 V739 E742 A743 W746	R523-K525 PolarHBondContact O-N 3.25Å; R523-K525 VanDerWaalsContact O-N 3.15Å; K525-Q674 VanDerWaalsContact CD-O 3.26Å; K525-Q674 WeakPolarHBondContact CD-O 3.2Å; K525-Q674 WeakPolarHBondContact CE-O 3.43Å; K525-Q674 PolarHBondContact NZ-O 3.34Å; K525-Q674 VanDerWaalsContact NZ-O 3.12Å; K525-L675 PolarHBondContact N-O 2.71Å; K525-V739 WeakPolarHBondContact O-CG1 3.42Å; K525-E742 WeakPolarHBondContact CD-OE1 3.42Å; K525-E742 WeakPolarHBondContact CE-OE1 3.29Å; K525-E742 IonicContact NZ-OE1 2.79Å; K525-E742 PolarHBondContact NZ-OE1 2.78Å; K525-A743 HydrophobicContact CB-CB 4.5Å; K525-A743 WeakPolarHBondContact O-CB 3.1Å; K525-W746 HydrophobicContact CB-CH2 3.72Å; K525-W746 HydrophobicContact CB-CZ2 4.36Å; K525-W746 HydrophobicContact CB-CZ3 4.44Å; K525-W746 HydrophobicContact CD-CH2 4.15Å; K525-W746 HydrophobicContact CD-CZ2 4.39Å
526	N	88.7	Confident	87.1	Confident	6 Å²	6	32 Å²	32	3%	0.032	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	14.2	-178.4	61.5	-52	0	0	0	114.8	C524 H528 L702 I704 F734 W746	C524-N526 WeakPolarHBondContact CB-OD1 3.44Å; C524-N526 PolarHBondContact O-N 3Å; C524-N526 VanDerWaalsContact O-N 3.15Å; N526-H528 PolarHBondContact O-N 2.93Å; N526-L702 WeakPolarHBondContact ND2-CD2 3.41Å; N526-I704 HydrophobicContact CB-CD1 3.84Å; N526-F734 HydrophobicContact CB-CD2 4.25Å; N526-F734 HydrophobicContact CB-CE2 3.85Å; N526-W746 HydrophobicContact CB-CZ3 4.08Å
527	C	89.5	Confident	86.7	Confident	30 Å²	30	34.2 Å²	34.2	20%	0.203	17%	0.168	C	C	.	.			trans	-65.4	130.9	-178.3	-171.4	0	0	0	0	111.6	C524 N529 P530 M533	C524-C527 HydrophobicContact CB-CB 4.21Å; C524-C527 WeakPolarHBondContact O-CB 3.29Å; C524-C527 PolarHBondContact O-N 3.43Å; C524-C527 VanDerWaalsContact O-N 3.1Å; C527-N529 VanDerWaalsContact SG-C 3.53Å; C527-N529 PolarHBondContact SG-N 2.88Å; C527-N529 VanDerWaalsContact SG-N 3.42Å; C527-P530 HydrophobicContact CB-CB 4.46Å; C527-P530 WeakPolarHBondContact O-CD 3.3Å; C527-M533 HydrophobicContact CB-CE 3.16Å
528	H	83.3	Confident	86.5	Confident	70 Å²	70	37.5 Å²	37.5	32%	0.324	18%	0.183	S	C	.	.	S	Bend	trans	-83.4	-14.5	173.8	-69.5	92.7	0	0	0	113.9	N526 P530 W531 H735 V739	N526-H528 PolarHBondContact O-N 2.93Å; H528-P530 WeakPolarHBondContact O-CD 3.3Å; H528-W531 VanDerWaalsContact O-CH2 3.31Å; H528-W531 WeakPolarHBondContact O-CH2 3.41Å; H528-W531 WeakPolarHBondContact O-CZ3 3.47Å; H528-H735 PolarHBondContact NE2-O 3.32Å; H528-V739 WeakPolarHBondContact NE2-CG2 3.45Å
529	N	87.3	Confident	86.4	Confident	52 Å²	52	40.6 Å²	40.6	28%	0.278	20%	0.204	S	C	.	.			trans	-123.8	50.9	176.8	-57.9	-63.8	0	0	0	111.8	C527 W531 T532	C527-N529 VanDerWaalsContact SG-C 3.53Å; C527-N529 PolarHBondContact SG-N 2.88Å; C527-N529 VanDerWaalsContact SG-N 3.42Å; N529-W531 HydrophobicContact CB-CH2 4.34Å; N529-W531 HydrophobicContact CB-CZ2 4.07Å; N529-W531 PolarHBondContact O-N 3.48Å; N529-W531 VanDerWaalsContact O-N 3.12Å; N529-W531 WeakPolarHBondContact OD1-CH2 3.35Å; N529-W531 VanDerWaalsContact OD1-CZ2 3.27Å; N529-W531 WeakPolarHBondContact OD1-CZ2 3.35Å; N529-T532 HydrophobicContact CB-CG2 4.1Å; N529-T532 WeakPolarHBondContact O-CB 3.46Å; N529-T532 PolarHBondContact O-N 2.8Å; N529-T532 PolarHBondContact O-OG1 2.85Å
530	P	87.1	Confident	86.7	Confident	7 Å²	7	40.5 Å²	40.5	5%	0.045	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-60	-30.3	-170.3	24.6	-34.4	0	0	0	112.7	C527 H528 T532 M533 H578 Y740	C527-P530 HydrophobicContact CB-CB 4.46Å; C527-P530 WeakPolarHBondContact O-CD 3.3Å; H528-P530 WeakPolarHBondContact O-CD 3.3Å; P530-T532 PolarHBondContact O-N 2.92Å; P530-M533 HydrophobicContact CB-CE 4.39Å; P530-M533 WeakPolarHBondContact O-CB 3.35Å; P530-M533 WeakPolarHBondContact O-CG 3.41Å; P530-M533 PolarHBondContact O-N 2.97Å; P530-H578 VanDerWaalsContact O-CB 3.32Å; P530-H578 WeakPolarHBondContact O-CB 3.37Å; P530-Y740 HydrophobicContact CB-CD2 3.94Å; P530-Y740 HydrophobicContact CB-CE2 4.36Å; P530-Y740 HydrophobicContact CG-CD2 3.12Å; P530-Y740 HydrophobicContact CG-CE2 3.3Å; P530-Y740 HydrophobicContact CG-CG 3.96Å
531	W	89	Confident	86.9	Confident	51 Å²	51	45 Å²	45	19%	0.193	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-64	-1.1	175	65.1	82.4	0	0	0	115.1	Q518 H528 N529 L572 H578 A579 T580 Y740	Q518-W531 PolarHBondContact NE2-O 3.46Å; Q518-W531 PolarHBondContact OE1-O 2.76Å; H528-W531 VanDerWaalsContact O-CH2 3.31Å; H528-W531 WeakPolarHBondContact O-CH2 3.41Å; H528-W531 WeakPolarHBondContact O-CZ3 3.47Å; N529-W531 HydrophobicContact CB-CH2 4.34Å; N529-W531 HydrophobicContact CB-CZ2 4.07Å; N529-W531 PolarHBondContact O-N 3.48Å; N529-W531 VanDerWaalsContact O-N 3.12Å; N529-W531 WeakPolarHBondContact OD1-CH2 3.35Å; N529-W531 VanDerWaalsContact OD1-CZ2 3.27Å; N529-W531 WeakPolarHBondContact OD1-CZ2 3.35Å; W531-L572 HydrophobicContact CB-CB 4.18Å; W531-L572 HydrophobicContact CB-CD1 4.38Å; W531-L572 HydrophobicContact CB-CD2 3.9Å; W531-L572 HydrophobicContact CB-CG 4.38Å; W531-L572 HydrophobicContact CD2-CD1 3.69Å; W531-L572 HydrophobicContact CE3-CD1 4Å; W531-L572 HydrophobicContact CG-CB 4.49Å; W531-L572 HydrophobicContact CG-CD1 3.83Å; W531-L572 HydrophobicContact CG-CD2 4.01Å; W531-L572 HydrophobicContact CG-CG 4.33Å; W531-H578 CarbonylContact C-O 3.54Å; W531-H578 WeakPolarHBondContact CA-O 3.39Å; W531-A579 CarbonylContact O-C 3.47Å; W531-A579 VanDerWaalsContact O-C 3.26Å; W531-A579 VanDerWaalsContact O-CA 3.25Å; W531-A579 WeakPolarHBondContact O-CA 3.5Å; W531-T580 PolarHBondContact O-N 3.44Å; W531-Y740 HydrophobicContact CE3-CE2 4.34Å
532	T	89.3	Confident	87.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-98.5	-5.3	172.5	66.5	0	0	0	0	113.3	Q518 G519 N529 P530 G610	Q518-T532 PolarHBondContact OE1-O 2.76Å; Q518-T532 VanDerWaalsContact OE1-O 3.06Å; G519-T532 PolarHBondContact N-O 2.83Å; N529-T532 HydrophobicContact CB-CG2 4.1Å; N529-T532 WeakPolarHBondContact O-CB 3.46Å; N529-T532 PolarHBondContact O-N 2.8Å; N529-T532 PolarHBondContact O-OG1 2.85Å; P530-T532 PolarHBondContact O-N 2.92Å; T532-G610 WeakPolarHBondContact OG1-CA 3.41Å; T532-G610 PolarHBondContact OG1-N 2.93Å; T532-G610 VanDerWaalsContact OG1-N 3.16Å
533	M	85.4	Confident	87.7	Confident	10 Å²	10	44.7 Å²	44.7	5%	0.049	22%	0.222	C	C	.	.	S	Bend	trans	-74.8	-44.5	-176.3	-70.3	-172.5	-172	0	0	113.1	G519 C520 C524 C527 P530 H578	G519-M533 CarbonylContact C-O 3.53Å; G519-M533 VanDerWaalsContact CA-O 3.3Å; G519-M533 WeakPolarHBondContact CA-O 3.21Å; C520-M533 HydrophobicContact CB-CB 4.22Å; C520-M533 HydrophobicContact CB-CG 4.14Å; C520-M533 PolarHBondContact N-O 2.85Å; C524-M533 HydrophobicContact CB-CE 4.46Å; C524-M533 WeakPolarHBondContact O-CE 3.33Å; C527-M533 HydrophobicContact CB-CE 3.16Å; P530-M533 HydrophobicContact CB-CE 4.39Å; P530-M533 WeakPolarHBondContact O-CB 3.35Å; P530-M533 WeakPolarHBondContact O-CG 3.41Å; P530-M533 PolarHBondContact O-N 2.97Å; M533-H578 HydrophobicContact CB-CB 4.41Å; M533-H578 PolarHBondContact N-O 3.41Å
534	G	81.8	Confident	88.1	Confident	10 Å²	10	43 Å²	43	10%	0.103	23%	0.229	C	C	.	.	S	Bend	trans	-107.6	168.2	-178.2	0	0	0	0	0	112.6	Q518 Q577 H578 A579	Q518-G534 PolarHBondContact OE1-O 3.18Å; G534-Q577 VanDerWaalsContact CA-O 3.29Å; G534-Q577 WeakPolarHBondContact CA-O 3.45Å; G534-H578 PolarHBondContact N-O 3.38Å; G534-A579 VanDerWaalsContact O-CB 3.27Å; G534-A579 WeakPolarHBondContact O-CB 3.39Å
535	R	84	Confident	88.3	Confident	76 Å²	76	46.8 Å²	46.8	29%	0.287	25%	0.245	S	C	.	.			trans	-103.9	143.6	174.8	-65.2	178.7	-177.5	-123.5	4.6	109	I385 T496 Q518 N537 A579	I385-R535 HydrophobicContact CG2-CB 4.13Å; T496-R535 PolarHBondContact OG1-NH1 2.84Å; Q518-R535 HydrophobicContact CB-CG 4.36Å; Q518-R535 PolarHBondContact O-NH2 2.96Å; R535-N537 PolarHBondContact O-N 3.3Å; R535-N537 VanDerWaalsContact O-N 3.14Å; R535-A579 VanDerWaalsContact C-CB 3.49Å
536	C	84.8	Confident	88.5	Confident	31 Å²	31	43.2 Å²	43.2	21%	0.209	23%	0.231	C	C	.	.			trans	-61.9	120.2	177.2	-174.2	0	0	0	0	108.5	H538 A579	C536-H538 VanDerWaalsContact C-N 3.3Å; C536-H538 PolarHBondContact SG-N 3.27Å; C536-A579 HydrophobicContact CB-CB 4.41Å
537	N	82.4	Confident	88.7	Confident	66 Å²	66	46.8 Å²	46.8	35%	0.353	26%	0.255	S	S	.	.			trans	-96.2	15.2	174.8	68.4	-13.6	0	0	0	112.1	R535 C539 Q577	R535-N537 PolarHBondContact O-N 3.3Å; R535-N537 VanDerWaalsContact O-N 3.14Å; N537-C539 PolarHBondContact O-N 3.48Å; N537-C539 VanDerWaalsContact O-N 3.08Å; N537-C539 WeakPolarHBondContact OD1-CB 3.15Å; N537-C539 PolarHBondContact OD1-N 2.92Å; N537-C539 PolarHBondContact OD1-SG 3.02Å; N537-Q577 HydrophobicContact CB-CG 4.46Å; N537-Q577 PolarHBondContact ND2-NE2 2.88Å; N537-Q577 WeakPolarHBondContact OD1-CG 3.45Å
538	H	89.3	Confident	88.9	Confident	69 Å²	69	49 Å²	49	32%	0.319	26%	0.261	S	S	.	.			trans	53.9	26.1	-179.7	-53	-61.3	0	0	0	116.3	C536 G540 G556 V558	C536-H538 VanDerWaalsContact C-N 3.3Å; C536-H538 PolarHBondContact SG-N 3.27Å; H538-G540 PolarHBondContact O-N 3.45Å; H538-G556 WeakPolarHBondContact CB-O 3.47Å; H538-V558 HydrophobicContact CB-CG2 4.36Å; H538-V558 PolarHBondContact ND1-N 3.16Å; H538-V558 VanDerWaalsContact ND1-N 3.17Å
539	C	86.6	Confident	89.4	Confident	67 Å²	67	53.9 Å²	53.9	45%	0.453	29%	0.285	S	S	.	.			trans	-58.2	-14.1	177.8	60	0	0	0	0	115.5	N537 E541	N537-C539 PolarHBondContact O-N 3.48Å; N537-C539 VanDerWaalsContact O-N 3.08Å; N537-C539 WeakPolarHBondContact OD1-CB 3.15Å; N537-C539 PolarHBondContact OD1-N 2.92Å; N537-C539 PolarHBondContact OD1-SG 3.02Å; C539-E541 PolarHBondContact O-N 2.78Å
540	G	89.9	Confident	89.8	Confident	7 Å²	7	51.4 Å²	51.4	7%	0.072	27%	0.272	C	S	.	.			trans	79	-5.8	174.1	0	0	0	0	0	115.8	H538 C542 V543 P544	H538-G540 PolarHBondContact O-N 3.45Å; G540-C542 PolarHBondContact O-N 3.21Å; G540-C542 VanDerWaalsContact O-N 3.15Å; G540-V543 VanDerWaalsContact O-CB 3.27Å; G540-V543 WeakPolarHBondContact O-CB 3.31Å; G540-V543 WeakPolarHBondContact O-CG2 3.5Å; G540-V543 PolarHBondContact O-N 3.02Å; G540-P544 VanDerWaalsContact O-CD 3.28Å; G540-P544 WeakPolarHBondContact O-CD 3.32Å
541	E	91	Very high	90.1	Very high	113 Å²	113	51.7 Å²	51.7	53%	0.528	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.4	-172.8	-162.5	168.2	-161	0	0	114	C539 P576	C539-E541 PolarHBondContact O-N 2.78Å; E541-P576 VanDerWaalsContact OE2-CD 3.28Å; E541-P576 WeakPolarHBondContact OE2-CD 3.49Å; E541-P576 WeakPolarHBondContact OE2-CG 3.37Å
542	C	93	Very high	90.3	Very high	6 Å²	6	54.1 Å²	54.1	4%	0.041	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-19	176.4	61.1	0	0	0	0	114.3	G540 Q545 C546 L551 C571	G540-C542 PolarHBondContact O-N 3.21Å; G540-C542 VanDerWaalsContact O-N 3.15Å; C542-Q545 PolarHBondContact O-N 2.94Å; C542-C546 PolarHBondContact O-N 3.12Å; C542-L551 HydrophobicContact CB-CD1 4.18Å; C542-C571 HydrophobicContact CB-CB 4.01Å
543	V	94.9	Very high	90.4	Very high	28 Å²	28	58.6 Å²	58.6	17%	0.17	31%	0.309	C	S	.	.	S	Bend	trans	-62.6	-55.8	-174.1	175.1	0	0	0	0	112.3	G540 Q545 C546 L551 I553 V558	G540-V543 VanDerWaalsContact O-CB 3.27Å; G540-V543 WeakPolarHBondContact O-CB 3.31Å; G540-V543 WeakPolarHBondContact O-CG2 3.5Å; G540-V543 PolarHBondContact O-N 3.02Å; V543-Q545 PolarHBondContact O-N 3.11Å; V543-Q545 VanDerWaalsContact O-N 3.14Å; V543-C546 PolarHBondContact O-N 3.23Å; V543-L551 HydrophobicContact CG2-CB 4.15Å; V543-I553 HydrophobicContact CB-CG1 4.49Å; V543-I553 HydrophobicContact CG1-CG1 4.48Å; V543-I553 HydrophobicContact CG2-CG1 3.88Å; V543-V558 HydrophobicContact CG2-CG1 4Å; V543-V558 HydrophobicContact CG2-CG2 4Å
544	P	93.4	Very high	90.3	Very high	102 Å²	102	60.1 Å²	60.1	66%	0.662	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.5	179.5	27.8	-35.4	0	0	0	113	G540	G540-P544 VanDerWaalsContact O-CD 3.28Å; G540-P544 WeakPolarHBondContact O-CD 3.32Å
545	Q	93.5	Very high	90.3	Very high	92 Å²	92	62.4 Å²	62.4	43%	0.43	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-6.4	-178	-57.1	-61.1	-39.5	0	0	113.1	C542 V543 P547 T570 R574	C542-Q545 PolarHBondContact O-N 2.94Å; V543-Q545 PolarHBondContact O-N 3.11Å; V543-Q545 VanDerWaalsContact O-N 3.14Å; Q545-P547 WeakPolarHBondContact O-CD 3.33Å; Q545-T570 HydrophobicContact CB-CG2 4.43Å; Q545-T570 WeakPolarHBondContact O-CG2 3.35Å; Q545-R574 HydrophobicContact CB-CB 4.49Å; Q545-R574 HydrophobicContact CB-CG 3.98Å; Q545-R574 HydrophobicContact CG-CG 4.16Å
546	C	94.5	Very high	90	Very high	14 Å²	14	61.3 Å²	61.3	10%	0.095	34%	0.341	C	S	.	.			trans	-74.1	109.3	179	-173.5	0	0	0	0	110.2	C542 V543 H548 Q549 A550 L551	C542-C546 PolarHBondContact O-N 3.12Å; V543-C546 PolarHBondContact O-N 3.23Å; C546-H548 PolarHBondContact O-N 2.91Å; C546-H548 VanDerWaalsContact O-N 3.17Å; C546-Q549 PolarHBondContact O-N 2.71Å; C546-A550 PolarHBondContact SG-N 3.29Å; C546-L551 HydrophobicContact CB-CB 4.23Å; C546-L551 HydrophobicContact CB-CD1 4.11Å; C546-L551 HydrophobicContact CB-CG 4.09Å
547	P	93.6	Very high	89.9	Confident	82 Å²	82	64.2 Å²	64.2	53%	0.532	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-22.4	-175.1	26.9	-33.8	0	0	0	112.9	Q545	Q545-P547 WeakPolarHBondContact O-CD 3.33Å
548	H	93.9	Very high	90.1	Very high	75 Å²	75	61.6 Å²	61.6	35%	0.347	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	1.7	178.6	-57	-74	0	0	0	113	C546 A550 V564	C546-H548 PolarHBondContact O-N 2.91Å; C546-H548 VanDerWaalsContact O-N 3.17Å; H548-A550 PolarHBondContact O-N 2.67Å; H548-A550 VanDerWaalsContact O-N 3.1Å; H548-V564 WeakPolarHBondContact O-CG1 3.44Å
549	Q	92.9	Very high	90	Very high	173 Å²	173	61 Å²	61	81%	0.808	34%	0.338	S	S	*	.			trans	54.5	30	-177.6	-55.9	-179.5	-32.5	0	0	113.3	C546 L551	C546-Q549 PolarHBondContact O-N 2.71Å; Q549-L551 PolarHBondContact O-N 2.86Å
550	A	94.6	Very high	90.2	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.008	33%	0.327	C	S	.	.			trans	-79.9	-0.1	179.7	0	0	0	0	0	113.5	C546 H548 N561 V564 C565	C546-A550 PolarHBondContact SG-N 3.29Å; H548-A550 PolarHBondContact O-N 2.67Å; H548-A550 VanDerWaalsContact O-N 3.1Å; A550-N561 PolarHBondContact O-N 3.3Å; A550-V564 HydrophobicContact CB-CB 4Å; A550-V564 HydrophobicContact CB-CG1 3.98Å; A550-C565 HydrophobicContact CB-CB 3.78Å
551	L	95	Very high	90.3	Very high	12 Å²	12	63.7 Å²	63.7	6%	0.063	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.5	-179.5	-59	-178.3	0	0	0	109.6	C542 V543 C546 Q549 V558 V559 W560 C571 P581	C542-L551 HydrophobicContact CB-CD1 4.18Å; V543-L551 HydrophobicContact CG2-CB 4.15Å; C546-L551 HydrophobicContact CB-CB 4.23Å; C546-L551 HydrophobicContact CB-CD1 4.11Å; C546-L551 HydrophobicContact CB-CG 4.09Å; Q549-L551 PolarHBondContact O-N 2.86Å; L551-V558 HydrophobicContact CD2-CG1 4.49Å; L551-V559 WeakPolarHBondContact CA-O 3.27Å; L551-W560 HydrophobicContact CD2-CB 3.84Å; L551-W560 HydrophobicContact CD2-CG 4.22Å; L551-C571 HydrophobicContact CD1-CB 3.6Å; L551-P581 HydrophobicContact CD1-CB 4.44Å; L551-P581 HydrophobicContact CD1-CG 3.88Å; L551-P581 HydrophobicContact CD2-CB 3.85Å; L551-P581 HydrophobicContact CD2-CG 3.75Å
552	Q	93.3	Very high	90	Very high	103 Å²	103	61.2 Å²	61.2	48%	0.481	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	154.9	177.3	54.8	-178.6	11.9	0	0	110.3	V554 V558 V559	Q552-V554 HydrophobicContact CG-CG2 3.9Å; Q552-V558 CarbonylContact O-C 3.55Å; Q552-V558 WeakPolarHBondContact O-CA 3.35Å; Q552-V559 HydrophobicContact CG-CB 4.09Å; Q552-V559 PolarHBondContact N-O 3.37Å; Q552-V559 PolarHBondContact O-N 2.68Å
553	I	90.1	Very high	89.8	Confident	94 Å²	94	65.5 Å²	65.5	48%	0.482	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	116.5	170.1	-56.3	-179.1	0	0	0	107.6	V543 K557	V543-I553 HydrophobicContact CB-CG1 4.49Å; V543-I553 HydrophobicContact CG1-CG1 4.48Å; V543-I553 HydrophobicContact CG2-CG1 3.88Å; I553-K557 WeakPolarHBondContact CA-O 3.38Å
554	V	83.9	Confident	89.6	Confident	42 Å²	42	67 Å²	67	26%	0.255	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.3	174.2	-178.5	0	0	0	0	106.9	Q552 G556 K557 V559	Q552-V554 HydrophobicContact CG-CG2 3.9Å; V554-G556 VanDerWaalsContact C-N 3.26Å; V554-G556 PolarHBondContact O-N 3.02Å; V554-K557 PolarHBondContact N-O 3.46Å; V554-K557 PolarHBondContact O-N 3.47Å; V554-K557 VanDerWaalsContact O-O 3.13Å; V554-V559 HydrophobicContact CB-CG2 3.83Å; V554-V559 HydrophobicContact CG2-CB 4.38Å; V554-V559 HydrophobicContact CG2-CG2 4.1Å
555	D	81.3	Confident	89.4	Confident	57 Å²	57	63.3 Å²	63.3	31%	0.305	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	44	-179	-60	-44.5	0	0	0	113.5	R12 K557	R12-D555 VanDerWaalsContact CD-OD1 3.26Å; R12-D555 WeakPolarHBondContact CD-OD1 3.42Å; R12-D555 HydrophobicContact CG-CB 4.4Å; R12-D555 VanDerWaalsContact CG-CG 3.43Å; R12-D555 WeakPolarHBondContact CG-OD1 3.46Å; R12-D555 IonicContact CZ-OD1 3.57Å; R12-D555 IonicContact NE-OD1 3.51Å; R12-D555 IonicContact NH1-OD1 2.7Å; R12-D555 PolarHBondContact NH1-OD1 2.79Å; D555-K557 PolarHBondContact O-N 3.48Å; D555-K557 VanDerWaalsContact O-N 3.12Å
556	G	78.3	Confident	89.2	Confident	54 Å²	54	65.8 Å²	65.8	56%	0.557	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	-0.4	-178.9	0	0	0	0	0	114.7	H538 V554	H538-G556 WeakPolarHBondContact CB-O 3.47Å; V554-G556 VanDerWaalsContact C-N 3.26Å; V554-G556 PolarHBondContact O-N 3.02Å
557	K	82.4	Confident	88.6	Confident	91 Å²	91	71.6 Å²	71.6	40%	0.396	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	136.8	179.3	-64	-173.9	177.3	178.4	0	111.1	E491 I553 V554 D555 V559	E491-K557 IonicContact OE1-NZ 3.78Å; I553-K557 WeakPolarHBondContact CA-O 3.38Å; V554-K557 PolarHBondContact N-O 3.46Å; V554-K557 PolarHBondContact O-N 3.47Å; V554-K557 VanDerWaalsContact O-O 3.13Å; D555-K557 PolarHBondContact O-N 3.48Å; D555-K557 VanDerWaalsContact O-N 3.12Å; K557-V559 PolarHBondContact O-N 3.36Å
558	V	86.3	Confident	88.3	Confident	11 Å²	11	70 Å²	70	7%	0.067	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	115	169.1	178.3	0	0	0	0	108.5	H538 V543 L551 Q552 P581	H538-V558 HydrophobicContact CB-CG2 4.36Å; H538-V558 PolarHBondContact ND1-N 3.16Å; H538-V558 VanDerWaalsContact ND1-N 3.17Å; V543-V558 HydrophobicContact CG2-CG1 4Å; V543-V558 HydrophobicContact CG2-CG2 4Å; L551-V558 HydrophobicContact CD2-CG1 4.49Å; Q552-V558 CarbonylContact O-C 3.55Å; Q552-V558 WeakPolarHBondContact O-CA 3.35Å; V558-P581 HydrophobicContact CG1-CB 3.78Å
559	V	88.3	Confident	88.1	Confident	57 Å²	57	69.5 Å²	69.5	35%	0.345	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.8	176.3	176.5	0	0	0	0	109.1	L551 Q552 V554 K557	L551-V559 WeakPolarHBondContact CA-O 3.27Å; Q552-V559 HydrophobicContact CG-CB 4.09Å; Q552-V559 PolarHBondContact N-O 3.37Å; Q552-V559 PolarHBondContact O-N 2.68Å; V554-V559 HydrophobicContact CB-CG2 3.83Å; V554-V559 HydrophobicContact CG2-CB 4.38Å; V554-V559 HydrophobicContact CG2-CG2 4.1Å; K557-V559 PolarHBondContact O-N 3.36Å
560	W	90.8	Very high	88	Confident	59 Å²	59	63 Å²	63	22%	0.223	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.8	176.7	166.8	55.6	0	0	0	111.2	L551 A562 C565 P581 M582 Q584	L551-W560 HydrophobicContact CD2-CB 3.84Å; L551-W560 HydrophobicContact CD2-CG 4.22Å; W560-A562 HydrophobicContact CD2-CB 4.44Å; W560-A562 HydrophobicContact CE3-CB 4.49Å; W560-A562 HydrophobicContact CH2-CB 3.65Å; W560-A562 HydrophobicContact CZ2-CB 3.55Å; W560-A562 HydrophobicContact CZ3-CB 4.13Å; W560-C565 HydrophobicContact CZ2-CB 4.45Å; W560-C565 PolarHBondContact NE1-SG 3.38Å; W560-P581 WeakPolarHBondContact CB-O 3.46Å; W560-M582 HydrophobicContact CD2-CB 4Å; W560-M582 HydrophobicContact CD2-CG 3.71Å; W560-M582 HydrophobicContact CE3-CB 3.93Å; W560-M582 HydrophobicContact CE3-CG 4.19Å; W560-M582 HydrophobicContact CG-CG 4.01Å; W560-M582 HydrophobicContact CH2-CB 4.25Å; W560-M582 HydrophobicContact CH2-CG 4.44Å; W560-M582 HydrophobicContact CZ2-CB 4.32Å; W560-M582 HydrophobicContact CZ2-CG 4Å; W560-M582 HydrophobicContact CZ2-SD 4.14Å; W560-M582 HydrophobicContact CZ3-CB 4.05Å; W560-Q584 HydrophobicContact CZ3-CG 4.44Å
561	N	91	Very high	87.8	Confident	72 Å²	72	63.4 Å²	63.4	39%	0.385	36%	0.364	S	S	.	.			trans	-97.5	101.2	172.6	-171.5	-20.3	0	0	0	110.3	A550 A563 V564 C565	A550-N561 PolarHBondContact O-N 3.3Å; N561-A563 PolarHBondContact O-N 3.06Å; N561-A563 WeakPolarHBondContact OD1-CB 3.39Å; N561-A563 PolarHBondContact OD1-N 3.02Å; N561-V564 HydrophobicContact CB-CB 4.37Å; N561-V564 HydrophobicContact CB-CG2 4.34Å; N561-V564 WeakPolarHBondContact ND2-CG2 3.32Å; N561-V564 PolarHBondContact O-N 3.16Å; N561-C565 PolarHBondContact O-N 3.39Å
562	A	85.3	Confident	87.5	Confident	60 Å²	60	63.2 Å²	63.2	50%	0.496	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.4	-179.8	0	0	0	0	0	113.7	W560 V564	W560-A562 HydrophobicContact CD2-CB 4.44Å; W560-A562 HydrophobicContact CE3-CB 4.49Å; W560-A562 HydrophobicContact CH2-CB 3.65Å; W560-A562 HydrophobicContact CZ2-CB 3.55Å; W560-A562 HydrophobicContact CZ3-CB 4.13Å; A562-V564 VanDerWaalsContact C-N 3.29Å; A562-V564 PolarHBondContact O-N 3.29Å
563	A	87.8	Confident	87.2	Confident	97 Å²	97	64.7 Å²	64.7	80%	0.802	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-18.4	-178.8	0	0	0	0	0	113.5	N561	N561-A563 PolarHBondContact O-N 3.06Å; N561-A563 WeakPolarHBondContact OD1-CB 3.39Å; N561-A563 PolarHBondContact OD1-N 3.02Å
564	V	91.1	Very high	87.2	Confident	60 Å²	60	67 Å²	67	36%	0.364	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-20.3	-179.6	-178.8	0	0	0	0	111.5	H548 A550 N561 A562 E566	H548-V564 WeakPolarHBondContact O-CG1 3.44Å; A550-V564 HydrophobicContact CB-CB 4Å; A550-V564 HydrophobicContact CB-CG1 3.98Å; N561-V564 HydrophobicContact CB-CB 4.37Å; N561-V564 HydrophobicContact CB-CG2 4.34Å; N561-V564 WeakPolarHBondContact ND2-CG2 3.32Å; N561-V564 PolarHBondContact O-N 3.16Å; A562-V564 VanDerWaalsContact C-N 3.29Å; A562-V564 PolarHBondContact O-N 3.29Å; V564-E566 PolarHBondContact O-N 3.04Å
565	C	89.9	Confident	87.4	Confident	24 Å²	24	65.5 Å²	65.5	16%	0.162	36%	0.362	C	S	.	.			trans	-76.8	113.4	-175.2	-172.5	0	0	0	0	112.4	A550 W560 N561 Q567	A550-C565 HydrophobicContact CB-CB 3.78Å; W560-C565 HydrophobicContact CZ2-CB 4.45Å; W560-C565 PolarHBondContact NE1-SG 3.38Å; N561-C565 PolarHBondContact O-N 3.39Å; C565-Q567 PolarHBondContact O-N 2.65Å; C565-Q567 PolarHBondContact SG-N 3.42Å
566	E	89.3	Confident	87.5	Confident	143 Å²	143	65.9 Å²	65.9	67%	0.668	37%	0.367	S	S	*	.			trans	-83.8	15.8	173.2	-63.8	-66.8	165	0	0	113.6	V564 C568	V564-E566 PolarHBondContact O-N 3.04Å; E566-C568 VanDerWaalsContact C-N 3.25Å; E566-C568 PolarHBondContact O-N 3.41Å; E566-C568 VanDerWaalsContact O-N 3.14Å
567	Q	82.2	Confident	87.8	Confident	137 Å²	137	67.1 Å²	67.1	64%	0.64	36%	0.359	S	S	*	.			trans	52.3	37.4	178.5	-57.1	-175.2	0.4	0	0	114.5	C565 D569	C565-Q567 PolarHBondContact O-N 2.65Å; C565-Q567 PolarHBondContact SG-N 3.42Å; Q567-D569 PolarHBondContact O-N 2.73Å; Q567-D569 VanDerWaalsContact O-N 3.11Å
568	C	87.6	Confident	88.1	Confident	48 Å²	48	66.9 Å²	66.9	32%	0.324	36%	0.359	S	S	.	.			trans	-69.3	-3.1	179.3	68.8	0	0	0	0	115.3	E566 T570	E566-C568 VanDerWaalsContact C-N 3.25Å; E566-C568 PolarHBondContact O-N 3.41Å; E566-C568 VanDerWaalsContact O-N 3.14Å; C568-T570 PolarHBondContact O-N 2.91Å; C568-T570 PolarHBondContact SG-OG1 2.76Å; C568-T570 VanDerWaalsContact SG-OG1 3.41Å
569	D	88.6	Confident	88.3	Confident	65 Å²	65	66.3 Å²	66.3	35%	0.348	36%	0.356	S	S	.	.			trans	57	5.9	-177.9	-59.8	-22.1	0	0	0	117.2	Q567 C571 L572 K573	Q567-D569 PolarHBondContact O-N 2.73Å; Q567-D569 VanDerWaalsContact O-N 3.11Å; D569-C571 PolarHBondContact O-N 3.42Å; D569-L572 HydrophobicContact CB-CD1 4.12Å; D569-L572 HydrophobicContact CB-CG 4.39Å; D569-L572 WeakPolarHBondContact O-CB 3.48Å; D569-L572 PolarHBondContact O-N 3.37Å; D569-K573 PolarHBondContact O-N 3.22Å
570	T	90.8	Very high	88.4	Confident	36 Å²	36	63.7 Å²	63.7	22%	0.221	34%	0.34	C	S	.	.	H	α-helix	trans	-56.4	-40	177.9	-58	0	0	0	0	111.9	Q545 C568 L572 K573 R574	Q545-T570 HydrophobicContact CB-CG2 4.43Å; Q545-T570 WeakPolarHBondContact O-CG2 3.35Å; C568-T570 PolarHBondContact O-N 2.91Å; C568-T570 PolarHBondContact SG-OG1 2.76Å; C568-T570 VanDerWaalsContact SG-OG1 3.41Å; T570-L572 VanDerWaalsContact C-N 3.3Å; T570-L572 PolarHBondContact O-N 2.98Å; T570-K573 PolarHBondContact O-N 3.01Å; T570-R574 HydrophobicContact CG2-CG 4.18Å; T570-R574 WeakPolarHBondContact O-CB 3.5Å; T570-R574 WeakPolarHBondContact O-CG 3.18Å; T570-R574 PolarHBondContact O-N 3.32Å; T570-R574 VanDerWaalsContact O-N 3.13Å
571	C	90.4	Very high	88.2	Confident	10 Å²	10	61.5 Å²	61.5	7%	0.068	33%	0.333	C	S	.	.	H	α-helix	trans	-64.8	-32.8	178.4	62.6	0	0	0	0	113.3	C542 L551 D569 R574 C575 P581	C542-C571 HydrophobicContact CB-CB 4.01Å; L551-C571 HydrophobicContact CD1-CB 3.6Å; D569-C571 PolarHBondContact O-N 3.42Å; C571-R574 PolarHBondContact O-N 3.01Å; C571-C575 WeakPolarHBondContact O-CB 3.45Å; C571-C575 PolarHBondContact O-N 3.16Å; C571-P581 HydrophobicContact CB-CG 3.95Å
572	L	89.4	Confident	88.1	Confident	7 Å²	7	59.3 Å²	59.3	4%	0.037	32%	0.321	C	S	.	.	H	α-helix	trans	-68.1	-45.5	177.9	-55.4	-172.9	0	0	0	110.6	W531 D569 T570 R574 C575 T580 M582	W531-L572 HydrophobicContact CB-CB 4.18Å; W531-L572 HydrophobicContact CB-CD1 4.38Å; W531-L572 HydrophobicContact CB-CD2 3.9Å; W531-L572 HydrophobicContact CB-CG 4.38Å; W531-L572 HydrophobicContact CD2-CD1 3.69Å; W531-L572 HydrophobicContact CE3-CD1 4Å; W531-L572 HydrophobicContact CG-CB 4.49Å; W531-L572 HydrophobicContact CG-CD1 3.83Å; W531-L572 HydrophobicContact CG-CD2 4.01Å; W531-L572 HydrophobicContact CG-CG 4.33Å; D569-L572 HydrophobicContact CB-CD1 4.12Å; D569-L572 HydrophobicContact CB-CG 4.39Å; D569-L572 WeakPolarHBondContact O-CB 3.48Å; D569-L572 PolarHBondContact O-N 3.37Å; T570-L572 VanDerWaalsContact C-N 3.3Å; T570-L572 PolarHBondContact O-N 2.98Å; L572-R574 PolarHBondContact O-N 3.49Å; L572-C575 PolarHBondContact O-N 3.37Å; L572-T580 WeakPolarHBondContact CD2-OG1 3.45Å; L572-M582 HydrophobicContact CD1-CE 4.16Å; L572-M582 HydrophobicContact CD2-CE 3.7Å; L572-M582 HydrophobicContact CG-CE 4.06Å
573	K	87	Confident	88.2	Confident	135 Å²	135	57.7 Å²	57.7	59%	0.587	31%	0.307	S	S	*	.	H	α-helix	trans	-67.3	-23.3	179.4	-66.1	172.1	-176.4	168.3	0	113.5	D569 T570 Y740	D569-K573 PolarHBondContact O-N 3.22Å; T570-K573 PolarHBondContact O-N 3.01Å; K573-Y740 HydrophobicContact CG-CE1 3.99Å
574	R	89	Confident	87.9	Confident	142 Å²	142	57.6 Å²	57.6	54%	0.536	29%	0.29	S	S	.	.	H	α-helix	trans	-98.4	-8.7	-177.5	-64.4	-65.5	-176.1	-160.7	-0.3	113.5	Q545 T570 C571 L572 P576	Q545-R574 HydrophobicContact CB-CB 4.49Å; Q545-R574 HydrophobicContact CB-CG 3.98Å; Q545-R574 HydrophobicContact CG-CG 4.16Å; T570-R574 HydrophobicContact CG2-CG 4.18Å; T570-R574 WeakPolarHBondContact O-CB 3.5Å; T570-R574 WeakPolarHBondContact O-CG 3.18Å; T570-R574 PolarHBondContact O-N 3.32Å; T570-R574 VanDerWaalsContact O-N 3.13Å; C571-R574 PolarHBondContact O-N 3.01Å; L572-R574 PolarHBondContact O-N 3.49Å; R574-P576 WeakPolarHBondContact O-CD 3.34Å
575	C	87.9	Confident	87.4	Confident	11 Å²	11	57.6 Å²	57.6	7%	0.074	29%	0.293	C	S	.	.			trans	-77.9	116.9	-176.8	-173.3	0	0	0	0	110.5	C571 L572 Q577 H578	C571-C575 WeakPolarHBondContact O-CB 3.45Å; C571-C575 PolarHBondContact O-N 3.16Å; L572-C575 PolarHBondContact O-N 3.37Å; C575-Q577 PolarHBondContact O-N 3.03Å; C575-H578 PolarHBondContact O-N 3.33Å; C575-H578 VanDerWaalsContact O-N 3.15Å
576	P	85.4	Confident	86.9	Confident	64 Å²	64	57.5 Å²	57.5	42%	0.416	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.2	179.6	30.9	-39.5	0	0	0	112.3	E541 R574 H578	E541-P576 VanDerWaalsContact OE2-CD 3.28Å; E541-P576 WeakPolarHBondContact OE2-CD 3.49Å; E541-P576 WeakPolarHBondContact OE2-CG 3.37Å; R574-P576 WeakPolarHBondContact O-CD 3.34Å; P576-H578 VanDerWaalsContact C-N 3.26Å; P576-H578 PolarHBondContact O-N 3.17Å
577	Q	84.6	Confident	86.5	Confident	80 Å²	80	52.1 Å²	52.1	37%	0.374	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.3	179.9	-56.7	-53.2	-51.9	0	0	112.9	G534 N537 C575 A579	G534-Q577 VanDerWaalsContact CA-O 3.29Å; G534-Q577 WeakPolarHBondContact CA-O 3.45Å; N537-Q577 HydrophobicContact CB-CG 4.46Å; N537-Q577 PolarHBondContact ND2-NE2 2.88Å; N537-Q577 WeakPolarHBondContact OD1-CG 3.45Å; C575-Q577 PolarHBondContact O-N 3.03Å; Q577-A579 HydrophobicContact CB-CB 3.95Å; Q577-A579 PolarHBondContact O-N 2.89Å
578	H	88.4	Confident	86.5	Confident	86 Å²	86	46.6 Å²	46.6	40%	0.398	24%	0.244	S	C	.	.	S	Bend	trans	46.9	50.6	-164.8	-55.9	160.7	0	0	0	110.4	P530 W531 M533 G534 C575 P576	P530-H578 VanDerWaalsContact O-CB 3.32Å; P530-H578 WeakPolarHBondContact O-CB 3.37Å; W531-H578 CarbonylContact C-O 3.54Å; W531-H578 WeakPolarHBondContact CA-O 3.39Å; M533-H578 HydrophobicContact CB-CB 4.41Å; M533-H578 PolarHBondContact N-O 3.41Å; G534-H578 PolarHBondContact N-O 3.38Å; C575-H578 PolarHBondContact O-N 3.33Å; C575-H578 VanDerWaalsContact O-N 3.15Å; P576-H578 VanDerWaalsContact C-N 3.26Å; P576-H578 PolarHBondContact O-N 3.17Å
579	A	90.5	Very high	86	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.256	C	S	.	.			trans	-118.3	-177.7	178.1	0	0	0	0	0	110	W531 G534 R535 C536 Q577	W531-A579 CarbonylContact O-C 3.47Å; W531-A579 VanDerWaalsContact O-C 3.26Å; W531-A579 VanDerWaalsContact O-CA 3.25Å; W531-A579 WeakPolarHBondContact O-CA 3.5Å; G534-A579 VanDerWaalsContact O-CB 3.27Å; G534-A579 WeakPolarHBondContact O-CB 3.39Å; R535-A579 VanDerWaalsContact C-CB 3.49Å; C536-A579 HydrophobicContact CB-CB 4.41Å; Q577-A579 HydrophobicContact CB-CB 3.95Å; Q577-A579 PolarHBondContact O-N 2.89Å
580	T	89.5	Confident	85.8	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.012	26%	0.261	C	S	.	.			trans	-130.1	136.6	171.6	178.7	0	0	0	0	111.4	W531 L572 M582 A583	W531-T580 PolarHBondContact O-N 3.44Å; L572-T580 WeakPolarHBondContact CD2-OG1 3.45Å; T580-M582 PolarHBondContact O-N 3.23Å; T580-M582 WeakPolarHBondContact OG1-CB 3.2Å; T580-M582 WeakPolarHBondContact OG1-CE 3.31Å; T580-M582 PolarHBondContact OG1-N 2.94Å; T580-A583 HydrophobicContact CG2-CB 3.76Å; T580-A583 PolarHBondContact O-N 3.4Å
581	P	86.9	Confident	85.6	Confident	12 Å²	12	49.1 Å²	49.1	8%	0.078	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-11.1	169.2	31.8	-35.6	0	0	0	112.4	L551 V558 W560 C571 A583	L551-P581 HydrophobicContact CD1-CB 4.44Å; L551-P581 HydrophobicContact CD1-CG 3.88Å; L551-P581 HydrophobicContact CD2-CB 3.85Å; L551-P581 HydrophobicContact CD2-CG 3.75Å; V558-P581 HydrophobicContact CG1-CB 3.78Å; W560-P581 WeakPolarHBondContact CB-O 3.46Å; C571-P581 HydrophobicContact CB-CG 3.95Å; P581-A583 VanDerWaalsContact C-N 3.3Å
582	M	88	Confident	85.5	Confident	27 Å²	27	49 Å²	49	13%	0.133	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-3.1	178.2	-53.9	179.5	-83.4	0	0	112.7	W560 L572 T580 Q584	W560-M582 HydrophobicContact CD2-CB 4Å; W560-M582 HydrophobicContact CD2-CG 3.71Å; W560-M582 HydrophobicContact CE3-CB 3.93Å; W560-M582 HydrophobicContact CE3-CG 4.19Å; W560-M582 HydrophobicContact CG-CG 4.01Å; W560-M582 HydrophobicContact CH2-CB 4.25Å; W560-M582 HydrophobicContact CH2-CG 4.44Å; W560-M582 HydrophobicContact CZ2-CB 4.32Å; W560-M582 HydrophobicContact CZ2-CG 4Å; W560-M582 HydrophobicContact CZ2-SD 4.14Å; W560-M582 HydrophobicContact CZ3-CB 4.05Å; L572-M582 HydrophobicContact CD1-CE 4.16Å; L572-M582 HydrophobicContact CD2-CE 3.7Å; L572-M582 HydrophobicContact CG-CE 4.06Å; T580-M582 PolarHBondContact O-N 3.23Å; T580-M582 WeakPolarHBondContact OG1-CB 3.2Å; T580-M582 WeakPolarHBondContact OG1-CE 3.31Å; T580-M582 PolarHBondContact OG1-N 2.94Å; M582-Q584 PolarHBondContact O-N 3Å
583	A	88.4	Confident	85.3	Confident	25 Å²	25	51.3 Å²	51.3	21%	0.207	27%	0.265	C	S	.	.			trans	-67.9	129.7	175.7	0	0	0	0	0	109.9	T496 L497 Q518 T580 P581	T496-A583 HydrophobicContact CG2-CB 3.84Å; L497-A583 WeakPolarHBondContact O-CA 3.34Å; Q518-A583 HydrophobicContact CG-CB 3.77Å; T580-A583 HydrophobicContact CG2-CB 3.76Å; T580-A583 PolarHBondContact O-N 3.4Å; P581-A583 VanDerWaalsContact C-N 3.3Å
584	Q	81.8	Confident	85.3	Confident	95 Å²	95	48.2 Å²	48.2	44%	0.444	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	141.2	-178.3	-64.3	-177.2	-46.2	0	0	109.5	T496 L497 W560 M582 M586	T496-Q584 WeakPolarHBondContact CA-O 3.33Å; L497-Q584 PolarHBondContact N-O 3.36Å; L497-Q584 PolarHBondContact O-N 2.86Å; W560-Q584 HydrophobicContact CZ3-CG 4.44Å; M582-Q584 PolarHBondContact O-N 3Å; Q584-M586 HydrophobicContact CB-CE 4.11Å; Q584-M586 PolarHBondContact O-N 3.49Å
585	S	81	Confident	85.3	Confident	61 Å²	61	41.4 Å²	41.4	43%	0.427	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	127	165	-64.2	0	0	0	0	108.9	N495	N495-S585 VanDerWaalsContact O-CA 3.25Å; N495-S585 WeakPolarHBondContact O-CA 3.47Å
586	M	79.4	Confident	85.3	Confident	21 Å²	21	45.2 Å²	45.2	10%	0.103	24%	0.24	C	C	.	.			trans	-131.7	137.6	174.7	-69.4	-175.1	-146.4	0	0	110.8	N495 L497 I500 Q584 E590 V591	N495-M586 PolarHBondContact O-N 3.35Å; N495-M586 VanDerWaalsContact O-N 3.1Å; L497-M586 HydrophobicContact CB-CE 4.17Å; L497-M586 HydrophobicContact CB-SD 4.37Å; L497-M586 HydrophobicContact CD1-CB 4.37Å; L497-M586 HydrophobicContact CD1-SD 4.04Å; I500-M586 HydrophobicContact CD1-CE 3.92Å; I500-M586 HydrophobicContact CD1-SD 3.72Å; I500-M586 HydrophobicContact CG1-CE 4.29Å; Q584-M586 HydrophobicContact CB-CE 4.11Å; Q584-M586 PolarHBondContact O-N 3.49Å; M586-E590 WeakPolarHBondContact CA-OE2 3.17Å; M586-E590 HydrophobicContact CB-CB 4.45Å; M586-V591 HydrophobicContact CB-CG2 4.12Å; M586-V591 HydrophobicContact SD-CG2 4.27Å
587	S	80.1	Confident	85.2	Confident	31 Å²	31	49.6 Å²	49.6	22%	0.217	25%	0.253	C	S	.	.			trans	-74.5	165.1	168.1	62.8	0	0	0	0	111.6	D589 E590 V591	S587-D589 VanDerWaalsContact C-N 3.29Å; S587-D589 PolarHBondContact O-N 3.38Å; S587-E590 WeakPolarHBondContact CB-OE2 3.35Å; S587-E590 PolarHBondContact N-OE2 3.02Å; S587-E590 PolarHBondContact O-N 2.93Å; S587-E590 WeakPolarHBondContact OG-CB 3.5Å; S587-E590 VanDerWaalsContact OG-CD 3.3Å; S587-E590 WeakPolarHBondContact OG-CG 3.4Å; S587-E590 PolarHBondContact OG-N 3.04Å; S587-E590 PolarHBondContact OG-OE2 3.24Å; S587-V591 PolarHBondContact O-N 3.43Å
588	V	82.7	Confident	85.1	Confident	20 Å²	20	46.2 Å²	46.2	12%	0.121	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-43.6	172.2	171.7	0	0	0	0	110.2	E590 V591 L592 F618 A621 L622 A625	V588-E590 PolarHBondContact O-N 2.63Å; V588-V591 PolarHBondContact O-N 3.39Å; V588-V591 VanDerWaalsContact O-N 3.16Å; V588-L592 HydrophobicContact CG1-CD1 3.92Å; V588-L592 HydrophobicContact CG1-CG 4.05Å; V588-L592 VanDerWaalsContact O-CG 3.28Å; V588-L592 WeakPolarHBondContact O-CG 3.37Å; V588-L592 PolarHBondContact O-N 2.72Å; V588-F618 HydrophobicContact CG2-CD2 3.86Å; V588-F618 HydrophobicContact CG2-CE2 3.78Å; V588-A621 HydrophobicContact CG2-CB 4.03Å; V588-L622 HydrophobicContact CG1-CD1 4.11Å; V588-L622 HydrophobicContact CG2-CB 4.4Å; V588-A625 HydrophobicContact CG1-CB 3.89Å
589	D	76.1	Confident	85.1	Confident	109 Å²	109	43.4 Å²	43.4	58%	0.583	23%	0.227	S	C	*	.	H	α-helix	trans	-64.9	-37.2	-178.3	-69.7	-42.1	0	0	0	113.7	S587 L592 S593	S587-D589 VanDerWaalsContact C-N 3.29Å; S587-D589 PolarHBondContact O-N 3.38Å; D589-L592 PolarHBondContact O-N 3.41Å; D589-S593 WeakPolarHBondContact O-CB 3.44Å; D589-S593 PolarHBondContact O-N 2.65Å; D589-S593 PolarHBondContact O-OG 3.27Å
590	E	84.2	Confident	84.6	Confident	94 Å²	94	50.7 Å²	50.7	44%	0.439	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-44.9	172.9	-74.2	165.9	125.8	0	0	110.7	M586 S587 V588 S593 H594	M586-E590 WeakPolarHBondContact CA-OE2 3.17Å; M586-E590 HydrophobicContact CB-CB 4.45Å; S587-E590 WeakPolarHBondContact CB-OE2 3.35Å; S587-E590 PolarHBondContact N-OE2 3.02Å; S587-E590 PolarHBondContact O-N 2.93Å; S587-E590 WeakPolarHBondContact OG-CB 3.5Å; S587-E590 VanDerWaalsContact OG-CD 3.3Å; S587-E590 WeakPolarHBondContact OG-CG 3.4Å; S587-E590 PolarHBondContact OG-N 3.04Å; S587-E590 PolarHBondContact OG-OE2 3.24Å; V588-E590 PolarHBondContact O-N 2.63Å; E590-S593 WeakPolarHBondContact O-CB 3.48Å; E590-S593 PolarHBondContact O-N 2.68Å; E590-H594 PolarHBondContact O-CD2 3.46Å; E590-H594 VanDerWaalsContact O-CD2 3.26Å; E590-H594 PolarHBondContact O-N 3.29Å; E590-H594 VanDerWaalsContact O-N 3.14Å
591	V	87.5	Confident	84.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-44.8	175.3	174.1	0	0	0	0	111.5	L497 L515 M586 S587 V588 S593 H594 V595 F618 L622	L497-V591 HydrophobicContact CD1-CG2 3.63Å; L515-V591 HydrophobicContact CD1-CG1 3.46Å; L515-V591 VanDerWaalsContact CD1-CG1 3.46Å; L515-V591 HydrophobicContact CD2-CG1 3.98Å; L515-V591 HydrophobicContact CG-CG1 4.37Å; M586-V591 HydrophobicContact CB-CG2 4.12Å; M586-V591 HydrophobicContact SD-CG2 4.27Å; S587-V591 PolarHBondContact O-N 3.43Å; V588-V591 PolarHBondContact O-N 3.39Å; V588-V591 VanDerWaalsContact O-N 3.16Å; V591-S593 PolarHBondContact O-N 3.03Å; V591-H594 WeakPolarHBondContact O-CA 3.48Å; V591-H594 WeakPolarHBondContact O-CB 3.05Å; V591-H594 PolarHBondContact O-N 3.06Å; V591-V595 HydrophobicContact CG1-CG2 4.32Å; V591-V595 WeakPolarHBondContact O-CG2 3.34Å; V591-V595 PolarHBondContact O-N 2.8Å; V591-F618 HydrophobicContact CG2-CZ 3.99Å; V591-L622 HydrophobicContact CB-CD1 4.15Å; V591-L622 HydrophobicContact CG1-CD1 3.66Å; V591-L622 HydrophobicContact CG1-CD2 3.93Å; V591-L622 HydrophobicContact CG1-CG 4.47Å
592	L	88.2	Confident	84.2	Confident	6 Å²	6	57 Å²	57	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-58.9	-35.4	175.5	-67.5	176.5	0	0	0	111.5	V588 D589 H594 V595 R596 L622 A625 I626 L632	V588-L592 HydrophobicContact CG1-CD1 3.92Å; V588-L592 HydrophobicContact CG1-CG 4.05Å; V588-L592 VanDerWaalsContact O-CG 3.28Å; V588-L592 WeakPolarHBondContact O-CG 3.37Å; V588-L592 PolarHBondContact O-N 2.72Å; D589-L592 PolarHBondContact O-N 3.41Å; L592-H594 VanDerWaalsContact C-N 3.32Å; L592-H594 PolarHBondContact O-N 3.3Å; L592-V595 PolarHBondContact O-N 3.11Å; L592-R596 WeakPolarHBondContact O-CB 3.17Å; L592-R596 VanDerWaalsContact O-CG 3.31Å; L592-R596 WeakPolarHBondContact O-CG 3.39Å; L592-R596 PolarHBondContact O-N 3.05Å; L592-L622 HydrophobicContact CD2-CD1 4.01Å; L592-L622 HydrophobicContact CG-CD1 4.39Å; L592-A625 HydrophobicContact CD1-CB 3.88Å; L592-A625 HydrophobicContact CD2-CB 4.38Å; L592-I626 HydrophobicContact CD2-CD1 4.36Å; L592-I626 HydrophobicContact CD2-CG1 3.57Å; L592-L632 HydrophobicContact CD2-CD1 3.79Å
593	S	85.6	Confident	84.1	Confident	56 Å²	56	61.3 Å²	61.3	39%	0.392	31%	0.312	S	S	.	.	H	α-helix	trans	-64.5	-35.3	174.5	-60.2	0	0	0	0	112.3	D589 E590 V591 K597	D589-S593 WeakPolarHBondContact O-CB 3.44Å; D589-S593 PolarHBondContact O-N 2.65Å; D589-S593 PolarHBondContact O-OG 3.27Å; E590-S593 WeakPolarHBondContact O-CB 3.48Å; E590-S593 PolarHBondContact O-N 2.68Å; V591-S593 PolarHBondContact O-N 3.03Å; S593-K597 WeakPolarHBondContact O-CG 3.45Å; S593-K597 PolarHBondContact O-N 3.37Å
594	H	86.2	Confident	84.4	Confident	70 Å²	70	60.1 Å²	60.1	32%	0.324	30%	0.302	S	S	.	.	H	α-helix	trans	-69.9	-42.5	170.2	-77.4	-82.7	0	0	0	112.4	I500 E590 V591 L592 R596 K597 A598	I500-H594 HydrophobicContact CD1-CB 4.13Å; E590-H594 PolarHBondContact O-CD2 3.46Å; E590-H594 VanDerWaalsContact O-CD2 3.26Å; E590-H594 PolarHBondContact O-N 3.29Å; E590-H594 VanDerWaalsContact O-N 3.14Å; V591-H594 WeakPolarHBondContact O-CA 3.48Å; V591-H594 WeakPolarHBondContact O-CB 3.05Å; V591-H594 PolarHBondContact O-N 3.06Å; L592-H594 VanDerWaalsContact C-N 3.32Å; L592-H594 PolarHBondContact O-N 3.3Å; H594-R596 VanDerWaalsContact C-N 3.34Å; H594-R596 PolarHBondContact O-N 3.15Å; H594-K597 WeakPolarHBondContact O-CB 3.21Å; H594-K597 PolarHBondContact O-N 2.96Å; H594-A598 PolarHBondContact O-N 3.22Å
595	V	88.1	Confident	85	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.9	-43.5	176.8	177.4	0	0	0	0	111.1	L513 V591 L592 K597 A598 V599 I602 I605 L632 L635	L513-V595 HydrophobicContact CD1-CG2 4.37Å; L513-V595 HydrophobicContact CD2-CG2 4.31Å; V591-V595 HydrophobicContact CG1-CG2 4.32Å; V591-V595 WeakPolarHBondContact O-CG2 3.34Å; V591-V595 PolarHBondContact O-N 2.8Å; L592-V595 PolarHBondContact O-N 3.11Å; V595-K597 VanDerWaalsContact C-N 3.27Å; V595-K597 PolarHBondContact O-N 2.82Å; V595-A598 CarbonylContact O-C 3.59Å; V595-A598 PolarHBondContact O-N 3.11Å; V595-V599 PolarHBondContact O-N 2.93Å; V595-I602 HydrophobicContact CG1-CD1 4.43Å; V595-I605 HydrophobicContact CG1-CG2 4.09Å; V595-I605 HydrophobicContact CG2-CG2 3.97Å; V595-L632 HydrophobicContact CG1-CD1 4.29Å; V595-L632 HydrophobicContact CG1-CD2 4.11Å; V595-L635 HydrophobicContact CG1-CD1 3.57Å
596	R	88.9	Confident	85.7	Confident	90 Å²	90	52.7 Å²	52.7	34%	0.34	26%	0.26	S	S	.	.	H	α-helix	trans	-61	-31.9	177.1	-74.1	178.1	-168.6	108.7	1.9	113.4	L592 H594 A598 V599 D629 L632	L592-R596 WeakPolarHBondContact O-CB 3.17Å; L592-R596 VanDerWaalsContact O-CG 3.31Å; L592-R596 WeakPolarHBondContact O-CG 3.39Å; L592-R596 PolarHBondContact O-N 3.05Å; H594-R596 VanDerWaalsContact C-N 3.34Å; H594-R596 PolarHBondContact O-N 3.15Å; R596-A598 VanDerWaalsContact C-N 3.28Å; R596-A598 PolarHBondContact O-N 3.18Å; R596-V599 VanDerWaalsContact O-CG1 3.27Å; R596-V599 WeakPolarHBondContact O-CG1 3.42Å; R596-D629 IonicContact CZ-OD2 2.71Å; R596-D629 IonicContact NE-OD2 3.27Å; R596-D629 IonicContact NH2-OD2 2.65Å; R596-D629 PolarHBondContact NH2-OD2 2.79Å; R596-L632 HydrophobicContact CG-CD1 4.29Å; R596-L632 HydrophobicContact CG-CD2 4.02Å
597	K	82.8	Confident	86.5	Confident	157 Å²	157	51.7 Å²	51.7	68%	0.683	26%	0.255	S	S	*	.	H	α-helix	trans	-68.9	-29.1	174.9	-68.1	169.4	-174.2	174.1	0	112.4	S593 H594 V595	S593-K597 WeakPolarHBondContact O-CG 3.45Å; S593-K597 PolarHBondContact O-N 3.37Å; H594-K597 WeakPolarHBondContact O-CB 3.21Å; H594-K597 PolarHBondContact O-N 2.96Å; V595-K597 VanDerWaalsContact C-N 3.27Å; V595-K597 PolarHBondContact O-N 2.82Å
598	A	82.1	Confident	87	Confident	9 Å²	9	50.7 Å²	50.7	7%	0.074	25%	0.249	C	C	.	.	H	α-helix	trans	-100.3	-10.5	-177.1	0	0	0	0	0	113.9	L513 H594 V595 R596 L600 F601 I602	L513-A598 HydrophobicContact CD1-CB 3.99Å; H594-A598 PolarHBondContact O-N 3.22Å; V595-A598 CarbonylContact O-C 3.59Å; V595-A598 PolarHBondContact O-N 3.11Å; R596-A598 VanDerWaalsContact C-N 3.28Å; R596-A598 PolarHBondContact O-N 3.18Å; A598-L600 VanDerWaalsContact C-N 3.25Å; A598-L600 PolarHBondContact O-N 3.15Å; A598-F601 PolarHBondContact O-N 3.02Å; A598-I602 HydrophobicContact CB-CD1 3.96Å; A598-I602 HydrophobicContact CB-CG2 4.2Å; A598-I602 WeakPolarHBondContact O-CG1 3.47Å; A598-I602 PolarHBondContact O-N 3.06Å
599	V	88.6	Confident	87.2	Confident	27 Å²	27	50.4 Å²	50.4	16%	0.164	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-50.4	-37.4	-167.8	70	0	0	0	0	114.7	V595 R596 F601 L632 L635	V595-V599 PolarHBondContact O-N 2.93Å; R596-V599 VanDerWaalsContact O-CG1 3.27Å; R596-V599 WeakPolarHBondContact O-CG1 3.42Å; V599-F601 PolarHBondContact O-N 2.77Å; V599-L632 HydrophobicContact CB-CD2 4.27Å; V599-L632 HydrophobicContact CG2-CD2 3.77Å; V599-L635 HydrophobicContact CG2-CD1 4.3Å
600	L	80.7	Confident	87.6	Confident	153 Å²	153	46.1 Å²	46.1	80%	0.801	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-73.9	-12	-178.9	-61.6	179.8	0	0	0	113.8	A598	A598-L600 VanDerWaalsContact C-N 3.25Å; A598-L600 PolarHBondContact O-N 3.15Å
601	F	80.5	Confident	87.9	Confident	137 Å²	137	41.7 Å²	41.7	60%	0.601	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-119.5	-4	-170.7	-54	-74.2	0	0	0	113.2	F503 S511 A598 V599	F503-F601 HydrophobicContact CD2-CB 4.42Å; F503-F601 WeakPolarHBondContact CE2-O 3.38Å; S511-F601 WeakPolarHBondContact CB-O 3.4Å; S511-F601 PolarHBondContact OG-O 2.89Å; A598-F601 PolarHBondContact O-N 3.02Å; V599-F601 PolarHBondContact O-N 2.77Å
602	I	86.7	Confident	88	Confident	9 Å²	9	41.7 Å²	41.7	5%	0.046	21%	0.21	C	C	.	.			trans	-123	144.8	-177	65.7	-179.5	0	0	0	110.5	F503 S511 L513 V595 A598 I605 L635	F503-I602 HydrophobicContact CD2-CG2 4.43Å; S511-I602 CarbonylContact O-C 3.47Å; S511-I602 WeakPolarHBondContact O-CA 3.35Å; L513-I602 HydrophobicContact CB-CD1 3.66Å; L513-I602 HydrophobicContact CB-CG2 4.45Å; V595-I602 HydrophobicContact CG1-CD1 4.43Å; A598-I602 HydrophobicContact CB-CD1 3.96Å; A598-I602 HydrophobicContact CB-CG2 4.2Å; A598-I602 WeakPolarHBondContact O-CG1 3.47Å; A598-I602 PolarHBondContact O-N 3.06Å; I602-I605 HydrophobicContact CD1-CG2 4.34Å; I602-L635 HydrophobicContact CD1-CD1 4.25Å; I602-L635 HydrophobicContact CG1-CD2 3.99Å; I602-L635 WeakPolarHBondContact O-CD2 3.46Å
603	E	87.4	Confident	88.1	Confident	117 Å²	117	41.8 Å²	41.8	55%	0.547	21%	0.211	S	C	.	.	S	Bend	trans	-89.4	-11.2	171.8	-63.9	-178.1	-174.4	0	0	112	G510 S511 T636	G510-E603 WeakPolarHBondContact CA-OE2 3.41Å; S511-E603 PolarHBondContact O-N 2.97Å; E603-T636 PolarHBondContact O-N 3.18Å; E603-T636 PolarHBondContact O-OG1 2.93Å; E603-T636 VanDerWaalsContact O-OG1 3.11Å
604	G	92.8	Very high	88	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.9	-176.9	-178.3	0	0	0	0	0	114.7	R512 L513 T636	R512-G604 CarbonylContact C-O 3.55Å; R512-G604 VanDerWaalsContact CA-O 3.23Å; R512-G604 WeakPolarHBondContact CA-O 3.3Å; L513-G604 PolarHBondContact N-O 2.95Å; G604-T636 CarbonylContact C-O 3.6Å; G604-T636 WeakPolarHBondContact CA-O 3.38Å
605	I	95.7	Very high	87.9	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	151	171.8	69.5	152.9	0	0	0	110.6	R512 L513 V595 I602 L622 F623 I626 T636 C637 L638	R512-I605 PolarHBondContact NH2-O 3.44Å; L513-I605 HydrophobicContact CB-CG2 4.28Å; L513-I605 HydrophobicContact CD2-CG2 4.49Å; L513-I605 CarbonylContact O-C 3.11Å; L513-I605 VanDerWaalsContact O-CA 3.22Å; L513-I605 WeakPolarHBondContact O-CA 3.27Å; V595-I605 HydrophobicContact CG1-CG2 4.09Å; V595-I605 HydrophobicContact CG2-CG2 3.97Å; I602-I605 HydrophobicContact CD1-CG2 4.34Å; I605-L622 HydrophobicContact CD1-CD2 4.1Å; I605-L622 HydrophobicContact CD1-CG 4.34Å; I605-F623 HydrophobicContact CD1-CD1 3.85Å; I605-F623 HydrophobicContact CD1-CE1 3.5Å; I605-F623 HydrophobicContact CG1-CE1 4.12Å; I605-I626 HydrophobicContact CD1-CD1 3.15Å; I605-I626 HydrophobicContact CG1-CD1 3.85Å; I605-I626 HydrophobicContact CG2-CD1 4.45Å; I605-T636 PolarHBondContact N-O 2.82Å; I605-C637 HydrophobicContact CG1-CB 4.43Å; I605-L638 PolarHBondContact O-N 3.4Å
606	T	95.5	Very high	87.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.4	170.4	-59.2	0	0	0	0	108.9	D507 R512 L513 A514 L515 L638 D640 M661	D507-T606 HydrophobicContact CB-CG2 4.32Å; D507-T606 WeakPolarHBondContact O-CB 3.48Å; D507-T606 WeakPolarHBondContact O-CG2 3.45Å; D507-T606 PolarHBondContact O-OG1 2.93Å; R512-T606 WeakPolarHBondContact CD-OG1 3.22Å; R512-T606 PolarHBondContact NE-OG1 2.94Å; L513-T606 PolarHBondContact O-N 3.39Å; A514-T606 CarbonylContact C-O 3.6Å; A514-T606 VanDerWaalsContact CA-O 3.29Å; A514-T606 WeakPolarHBondContact CA-O 3.47Å; L515-T606 PolarHBondContact N-O 3.19Å; T606-L638 VanDerWaalsContact CA-O 3.3Å; T606-L638 WeakPolarHBondContact CA-O 3.17Å; T606-L638 HydrophobicContact CG2-CB 4.47Å; T606-D640 HydrophobicContact CG2-CB 4.1Å; T606-M661 HydrophobicContact CG2-CE 3.72Å
607	V	95.9	Very high	87.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.1	165.5	-61.6	0	0	0	0	108.6	L515 L517 A612 V619 L622 F623 L638 V639 D640	L515-V607 HydrophobicContact CB-CG1 4.31Å; L515-V607 HydrophobicContact CD1-CG1 4.13Å; L517-V607 HydrophobicContact CD1-CB 4.39Å; V607-A612 HydrophobicContact CB-CB 4.05Å; V607-A612 HydrophobicContact CG2-CB 3.85Å; V607-V619 HydrophobicContact CG2-CG1 3.84Å; V607-V619 HydrophobicContact CG2-CG2 4.18Å; V607-L622 HydrophobicContact CG1-CD2 4.25Å; V607-F623 HydrophobicContact CG1-CE1 3.78Å; V607-F623 HydrophobicContact CG1-CZ 4.06Å; V607-F623 HydrophobicContact CG2-CE1 4.37Å; V607-F623 HydrophobicContact CG2-CZ 3.8Å; V607-L638 PolarHBondContact N-O 2.88Å; V607-V639 HydrophobicContact CG2-CB 4.16Å; V607-V639 HydrophobicContact CG2-CG1 3.99Å; V607-V639 HydrophobicContact CG2-CG2 3.86Å; V607-D640 PolarHBondContact O-N 2.94Å
608	S	91.4	Very high	87.4	Confident	11 Å²	11	33.6 Å²	33.6	8%	0.077	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	-155.9	-176.4	-172.6	0	0	0	0	108.5	L515 F516 L517	L515-S608 CarbonylContact O-C 3.49Å; L515-S608 PolarHBondContact O-N 2.79Å; L515-S608 VanDerWaalsContact O-O 3.1Å; F516-S608 WeakPolarHBondContact CA-O 3.39Å; L517-S608 PolarHBondContact N-O 2.65Å
609	G	85.8	Confident	87.8	Confident	13 Å²	13	33.1 Å²	33.1	13%	0.134	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	111.9	-129.6	-177.6	0	0	0	0	0	111.5	L517	L517-G609 WeakPolarHBondContact O-CA 3.27Å
610	G	84.8	Confident	87.7	Confident	19 Å²	19	33.5 Å²	33.5	20%	0.196	19%	0.185	C	C	.	.	S	Bend	trans	-68.8	-94.6	173.1	0	0	0	0	0	110.7	L517 T532	L517-G610 PolarHBondContact O-N 2.85Å; L517-G610 VanDerWaalsContact O-N 3.08Å; T532-G610 WeakPolarHBondContact OG1-CA 3.41Å; T532-G610 PolarHBondContact OG1-N 2.93Å; T532-G610 VanDerWaalsContact OG1-N 3.16Å
611	E	91.6	Very high	87.9	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.005	16%	0.163	C	C	.	.			trans	-125.6	101.9	163.4	173.3	48.4	-124.4	0	0	107.7	G519 C520 T613 T614 S641 N642	G519-E611 PolarHBondContact O-N 3.29Å; C520-E611 HydrophobicContact CB-CB 4.41Å; E611-T613 VanDerWaalsContact CD-OG1 3.29Å; E611-T613 WeakPolarHBondContact CG-OG1 3.44Å; E611-T613 PolarHBondContact O-N 3.33Å; E611-T613 VanDerWaalsContact O-N 3.12Å; E611-T613 VanDerWaalsContact OE1-CB 3.28Å; E611-T613 WeakPolarHBondContact OE1-CB 3.47Å; E611-T613 VanDerWaalsContact OE1-CG2 3.27Å; E611-T613 WeakPolarHBondContact OE1-CG2 3.44Å; E611-T613 PolarHBondContact OE1-N 3.21Å; E611-T613 VanDerWaalsContact OE1-N 3.11Å; E611-T613 PolarHBondContact OE1-OG1 3.08Å; E611-T614 HydrophobicContact CB-CG2 3.83Å; E611-T614 HydrophobicContact CG-CG2 3.89Å; E611-T614 WeakPolarHBondContact O-CB 3.45Å; E611-T614 WeakPolarHBondContact O-CG2 3.27Å; E611-T614 PolarHBondContact O-N 3.32Å; E611-T614 PolarHBondContact O-OG1 2.82Å; E611-S641 WeakPolarHBondContact OE1-CB 3.45Å; E611-S641 PolarHBondContact OE1-OG 3.1Å; E611-S641 WeakPolarHBondContact OE2-CA 3.5Å; E611-S641 PolarHBondContact OE2-OG 3.15Å; E611-S641 VanDerWaalsContact OE2-OG 3.12Å; E611-N642 WeakPolarHBondContact OE2-CB 3.34Å; E611-N642 PolarHBondContact OE2-N 3.22Å; E611-N642 PolarHBondContact OE2-ND2 3.26Å; E611-N642 PolarHBondContact OE2-OD1 3.3Å
612	A	89.5	Confident	88.5	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-56	-33.2	-173.9	0	0	0	0	0	112.5	L517 V607 T614 Q615 V639	L517-A612 HydrophobicContact CD1-CB 4Å; V607-A612 HydrophobicContact CB-CB 4.05Å; V607-A612 HydrophobicContact CG2-CB 3.85Å; A612-T614 PolarHBondContact O-N 3.11Å; A612-Q615 PolarHBondContact O-N 2.66Å; A612-V639 HydrophobicContact CB-CG1 4.5Å
613	T	88.6	Confident	89	Confident	8 Å²	8	21.2 Å²	21.2	5%	0.049	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-71.4	-10.5	180	67.9	0	0	0	0	113.7	E611 Q615 L616 V639 L645 W650 L653	E611-T613 VanDerWaalsContact CD-OG1 3.29Å; E611-T613 WeakPolarHBondContact CG-OG1 3.44Å; E611-T613 PolarHBondContact O-N 3.33Å; E611-T613 VanDerWaalsContact O-N 3.12Å; E611-T613 VanDerWaalsContact OE1-CB 3.28Å; E611-T613 WeakPolarHBondContact OE1-CB 3.47Å; E611-T613 VanDerWaalsContact OE1-CG2 3.27Å; E611-T613 WeakPolarHBondContact OE1-CG2 3.44Å; E611-T613 PolarHBondContact OE1-N 3.21Å; E611-T613 VanDerWaalsContact OE1-N 3.11Å; E611-T613 PolarHBondContact OE1-OG1 3.08Å; T613-Q615 PolarHBondContact O-N 3.1Å; T613-L616 VanDerWaalsContact O-CB 3.29Å; T613-L616 WeakPolarHBondContact O-CB 3.28Å; T613-L616 PolarHBondContact O-N 3Å; T613-V639 HydrophobicContact CG2-CG1 3.85Å; T613-L645 HydrophobicContact CG2-CB 4.37Å; T613-L645 HydrophobicContact CG2-CD2 3.84Å; T613-W650 HydrophobicContact CG2-CH2 4.48Å; T613-L653 HydrophobicContact CG2-CD2 4.49Å
614	T	83.6	Confident	89.2	Confident	58 Å²	58	17.9 Å²	17.9	36%	0.356	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-64	-18.5	166.7	63.3	0	0	0	0	112.3	G519 N521 E611 A612	G519-T614 PolarHBondContact O-OG1 2.89Å; N521-T614 HydrophobicContact CB-CG2 4.47Å; E611-T614 HydrophobicContact CB-CG2 3.83Å; E611-T614 HydrophobicContact CG-CG2 3.89Å; E611-T614 WeakPolarHBondContact O-CB 3.45Å; E611-T614 WeakPolarHBondContact O-CG2 3.27Å; E611-T614 PolarHBondContact O-N 3.32Å; E611-T614 PolarHBondContact O-OG1 2.82Å; A612-T614 PolarHBondContact O-N 3.11Å
615	Q	84.2	Confident	89.1	Confident	9 Å²	9	19.3 Å²	19.3	4%	0.042	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-108.4	37.9	171.3	-54.7	-169	37.2	0	0	110.9	T496 L517 Q518 A612 T613 P617 F618 V619	T496-Q615 PolarHBondContact O-NE2 3.15Å; T496-Q615 VanDerWaalsContact O-NE2 3.13Å; L517-Q615 HydrophobicContact CD1-CB 4.35Å; Q518-Q615 PolarHBondContact O-NE2 3.32Å; A612-Q615 PolarHBondContact O-N 2.66Å; T613-Q615 PolarHBondContact O-N 3.1Å; Q615-P617 VanDerWaalsContact C-CD 3.45Å; Q615-F618 HydrophobicContact CB-CB 4.39Å; Q615-F618 WeakPolarHBondContact O-CB 3.49Å; Q615-F618 PolarHBondContact O-N 3.11Å; Q615-V619 PolarHBondContact O-N 3.48Å; Q615-V619 VanDerWaalsContact O-N 3.09Å
616	L	83.3	Confident	89	Confident	24 Å²	24	19.3 Å²	19.3	13%	0.126	13%	0.132	C	C	.	.	H	α-helix	trans	-46.2	-47	-175.2	179.5	69.1	0	0	0	114.4	T613 F618 V619 V620 L645 K652 L653	T613-L616 VanDerWaalsContact O-CB 3.29Å; T613-L616 WeakPolarHBondContact O-CB 3.28Å; T613-L616 PolarHBondContact O-N 3Å; L616-F618 VanDerWaalsContact C-N 3.25Å; L616-F618 PolarHBondContact O-N 3.02Å; L616-V619 PolarHBondContact O-N 2.96Å; L616-V620 HydrophobicContact CD1-CG2 3.79Å; L616-V620 HydrophobicContact CG-CG2 4.1Å; L616-V620 WeakPolarHBondContact O-CG2 3.2Å; L616-V620 PolarHBondContact O-N 2.85Å; L616-L645 HydrophobicContact CD1-CD2 4.18Å; L616-L645 HydrophobicContact CD2-CD1 4.26Å; L616-K652 HydrophobicContact CD2-CD 4.3Å; L616-L653 HydrophobicContact CD1-CB 4.1Å; L616-L653 HydrophobicContact CD1-CD1 4.48Å; L616-L653 HydrophobicContact CD1-CD2 4.23Å; L616-L653 HydrophobicContact CD1-CG 4.5Å
617	P	80.6	Confident	89	Confident	104 Å²	104	21.8 Å²	21.8	68%	0.675	14%	0.143	S	C	*	.	H	α-helix	trans	-58	-38.8	179.8	-25.5	36	0	0	0	113	Q615 A621	Q615-P617 VanDerWaalsContact C-CD 3.45Å; P617-A621 VanDerWaalsContact O-CB 3.27Å; P617-A621 WeakPolarHBondContact O-CB 3.46Å; P617-A621 PolarHBondContact O-N 3.26Å
618	F	85.6	Confident	88.9	Confident	6 Å²	6	27.7 Å²	27.7	3%	0.026	17%	0.174	C	C	.	.	H	α-helix	trans	-69.7	-44	176.4	172	-102.1	0	0	0	112.4	N495 L517 V588 V591 Q615 L616 V620 A621 L622	N495-F618 HydrophobicContact CB-CB 4.24Å; N495-F618 HydrophobicContact CB-CD1 4.27Å; N495-F618 HydrophobicContact CB-CD2 3.71Å; N495-F618 HydrophobicContact CB-CE2 4.06Å; N495-F618 HydrophobicContact CB-CG 3.8Å; N495-F618 HydrophobicContact CB-CZ 4.5Å; N495-F618 VanDerWaalsContact CG-CB 3.49Å; N495-F618 VanDerWaalsContact CG-CG 3.46Å; N495-F618 WeakPolarHBondContact ND2-CD2 3.27Å; N495-F618 VanDerWaalsContact OD1-CB 3.25Å; N495-F618 WeakPolarHBondContact OD1-CB 3.45Å; L517-F618 HydrophobicContact CD1-CD1 4.17Å; L517-F618 HydrophobicContact CD1-CE1 4.35Å; L517-F618 HydrophobicContact CD2-CD1 4.05Å; L517-F618 HydrophobicContact CD2-CE1 3.74Å; V588-F618 HydrophobicContact CG2-CD2 3.86Å; V588-F618 HydrophobicContact CG2-CE2 3.78Å; V591-F618 HydrophobicContact CG2-CZ 3.99Å; Q615-F618 HydrophobicContact CB-CB 4.39Å; Q615-F618 WeakPolarHBondContact O-CB 3.49Å; Q615-F618 PolarHBondContact O-N 3.11Å; L616-F618 VanDerWaalsContact C-N 3.25Å; L616-F618 PolarHBondContact O-N 3.02Å; F618-V620 VanDerWaalsContact C-N 3.34Å; F618-V620 PolarHBondContact O-N 3.48Å; F618-A621 PolarHBondContact O-N 3.26Å; F618-L622 HydrophobicContact CE1-CD2 4.23Å; F618-L622 HydrophobicContact CZ-CD2 4.34Å; F618-L622 VanDerWaalsContact O-CB 3.26Å; F618-L622 WeakPolarHBondContact O-CB 3.3Å; F618-L622 PolarHBondContact O-N 2.52Å
619	V	90.9	Very high	88.9	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.1	-45.7	177.8	177.9	0	0	0	0	110.6	L517 V607 Q615 L616 L622 F623 V639 L653	L517-V619 HydrophobicContact CD1-CG2 3.88Å; V607-V619 HydrophobicContact CG2-CG1 3.84Å; V607-V619 HydrophobicContact CG2-CG2 4.18Å; Q615-V619 PolarHBondContact O-N 3.48Å; Q615-V619 VanDerWaalsContact O-N 3.09Å; L616-V619 PolarHBondContact O-N 2.96Å; V619-L622 PolarHBondContact O-N 3.39Å; V619-F623 HydrophobicContact CG1-CD1 4.49Å; V619-F623 HydrophobicContact CG1-CD2 4.09Å; V619-F623 HydrophobicContact CG1-CE1 4.24Å; V619-F623 HydrophobicContact CG1-CE2 3.83Å; V619-F623 HydrophobicContact CG1-CG 4.42Å; V619-F623 HydrophobicContact CG1-CZ 3.92Å; V619-F623 WeakPolarHBondContact O-CB 3.47Å; V619-F623 WeakPolarHBondContact O-CG 3.25Å; V619-F623 PolarHBondContact O-N 2.92Å; V619-V639 HydrophobicContact CG1-CG2 4.43Å; V619-L653 HydrophobicContact CG1-CD1 3.79Å
620	V	86.7	Confident	89.1	Confident	34 Å²	34	32.7 Å²	32.7	21%	0.206	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-47.8	176.3	172.8	0	0	0	0	110.6	L616 F618 L622 F623 T624 L653 V656	L616-V620 HydrophobicContact CD1-CG2 3.79Å; L616-V620 HydrophobicContact CG-CG2 4.1Å; L616-V620 WeakPolarHBondContact O-CG2 3.2Å; L616-V620 PolarHBondContact O-N 2.85Å; F618-V620 VanDerWaalsContact C-N 3.34Å; F618-V620 PolarHBondContact O-N 3.48Å; V620-L622 PolarHBondContact O-N 2.8Å; V620-F623 PolarHBondContact O-N 2.85Å; V620-T624 VanDerWaalsContact O-CB 3.24Å; V620-T624 WeakPolarHBondContact O-CB 3.27Å; V620-T624 PolarHBondContact O-N 3.02Å; V620-T624 PolarHBondContact O-OG1 3.08Å; V620-L653 HydrophobicContact CG2-CB 4.49Å; V620-L653 HydrophobicContact CG2-CD1 3.95Å; V620-V656 HydrophobicContact CG1-CG2 4.37Å
621	A	84.9	Confident	89.4	Confident	42 Å²	42	38.1 Å²	38.1	35%	0.347	22%	0.223	S	C	.	.	H	α-helix	trans	-61.6	-44.7	179.2	0	0	0	0	0	112.2	V588 P617 F618 T624 A625	V588-A621 HydrophobicContact CG2-CB 4.03Å; P617-A621 VanDerWaalsContact O-CB 3.27Å; P617-A621 WeakPolarHBondContact O-CB 3.46Å; P617-A621 PolarHBondContact O-N 3.26Å; F618-A621 PolarHBondContact O-N 3.26Å; A621-T624 PolarHBondContact O-N 2.72Å; A621-A625 WeakPolarHBondContact O-CB 3.35Å; A621-A625 PolarHBondContact O-N 3.12Å
622	L	93	Very high	89.5	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-49.2	177.6	175.3	62.3	0	0	0	111.6	L515 V588 V591 L592 I605 V607 F618 V619 V620 A625 I626	L515-L622 HydrophobicContact CD1-CD2 3.48Å; L515-L622 VanDerWaalsContact CD1-CD2 3.48Å; V588-L622 HydrophobicContact CG1-CD1 4.11Å; V588-L622 HydrophobicContact CG2-CB 4.4Å; V591-L622 HydrophobicContact CB-CD1 4.15Å; V591-L622 HydrophobicContact CG1-CD1 3.66Å; V591-L622 HydrophobicContact CG1-CD2 3.93Å; V591-L622 HydrophobicContact CG1-CG 4.47Å; L592-L622 HydrophobicContact CD2-CD1 4.01Å; L592-L622 HydrophobicContact CG-CD1 4.39Å; I605-L622 HydrophobicContact CD1-CD2 4.1Å; I605-L622 HydrophobicContact CD1-CG 4.34Å; V607-L622 HydrophobicContact CG1-CD2 4.25Å; F618-L622 HydrophobicContact CE1-CD2 4.23Å; F618-L622 HydrophobicContact CZ-CD2 4.34Å; F618-L622 VanDerWaalsContact O-CB 3.26Å; F618-L622 WeakPolarHBondContact O-CB 3.3Å; F618-L622 PolarHBondContact O-N 2.52Å; V619-L622 PolarHBondContact O-N 3.39Å; V620-L622 PolarHBondContact O-N 2.8Å; L622-A625 PolarHBondContact O-N 2.55Å; L622-I626 HydrophobicContact CD1-CD1 4.02Å; L622-I626 HydrophobicContact CD1-CG1 4.49Å; L622-I626 HydrophobicContact CG-CD1 4.09Å; L622-I626 WeakPolarHBondContact O-CG1 3.47Å; L622-I626 PolarHBondContact O-N 2.87Å
623	F	97.1	Very high	89.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.3	-42	-179.9	-72.8	4.4	0	0	0	111.2	I605 V607 V619 V620 A625 I626 K627 C637 L638 V639 L653 V656 C657	I605-F623 HydrophobicContact CD1-CD1 3.85Å; I605-F623 HydrophobicContact CD1-CE1 3.5Å; I605-F623 HydrophobicContact CG1-CE1 4.12Å; V607-F623 HydrophobicContact CG1-CE1 3.78Å; V607-F623 HydrophobicContact CG1-CZ 4.06Å; V607-F623 HydrophobicContact CG2-CE1 4.37Å; V607-F623 HydrophobicContact CG2-CZ 3.8Å; V619-F623 HydrophobicContact CG1-CD1 4.49Å; V619-F623 HydrophobicContact CG1-CD2 4.09Å; V619-F623 HydrophobicContact CG1-CE1 4.24Å; V619-F623 HydrophobicContact CG1-CE2 3.83Å; V619-F623 HydrophobicContact CG1-CG 4.42Å; V619-F623 HydrophobicContact CG1-CZ 3.92Å; V619-F623 WeakPolarHBondContact O-CB 3.47Å; V619-F623 WeakPolarHBondContact O-CG 3.25Å; V619-F623 PolarHBondContact O-N 2.92Å; V620-F623 PolarHBondContact O-N 2.85Å; F623-A625 VanDerWaalsContact C-N 3.3Å; F623-A625 PolarHBondContact O-N 3.1Å; F623-I626 PolarHBondContact O-N 2.9Å; F623-K627 VanDerWaalsContact O-CG 3.3Å; F623-K627 WeakPolarHBondContact O-CG 3.43Å; F623-K627 PolarHBondContact O-N 3.36Å; F623-C637 HydrophobicContact CB-CB 4.41Å; F623-C637 HydrophobicContact CD1-CB 3.81Å; F623-C637 HydrophobicContact CD2-CB 3.72Å; F623-C637 HydrophobicContact CE1-CB 3.89Å; F623-C637 HydrophobicContact CE2-CB 3.79Å; F623-C637 HydrophobicContact CG-CB 3.73Å; F623-C637 HydrophobicContact CZ-CB 3.87Å; F623-L638 WeakPolarHBondContact CZ-O 3.18Å; F623-V639 HydrophobicContact CE2-CG2 3.65Å; F623-V639 HydrophobicContact CZ-CG2 4Å; F623-L653 HydrophobicContact CD2-CD1 3.89Å; F623-L653 HydrophobicContact CE2-CD1 4.21Å; F623-V656 HydrophobicContact CB-CB 3.94Å; F623-V656 HydrophobicContact CB-CG2 3.79Å; F623-C657 HydrophobicContact CD2-CB 4.1Å; F623-C657 HydrophobicContact CE2-CB 4.18Å
624	T	91.8	Very high	89.8	Confident	47 Å²	47	51.4 Å²	51.4	29%	0.288	28%	0.277	S	S	.	.	H	α-helix	trans	-55.3	-47.3	173.4	-57.1	0	0	0	0	110.8	V620 A621 I626 K627 N628	V620-T624 VanDerWaalsContact O-CB 3.24Å; V620-T624 WeakPolarHBondContact O-CB 3.27Å; V620-T624 PolarHBondContact O-N 3.02Å; V620-T624 PolarHBondContact O-OG1 3.08Å; A621-T624 PolarHBondContact O-N 2.72Å; T624-I626 PolarHBondContact O-N 3.26Å; T624-K627 PolarHBondContact O-N 2.97Å; T624-N628 WeakPolarHBondContact CG2-ND2 3.46Å; T624-N628 WeakPolarHBondContact O-CB 3.37Å; T624-N628 PolarHBondContact O-N 3.15Å; T624-N628 PolarHBondContact O-ND2 2.88Å
625	A	90.6	Very high	90.3	Very high	29 Å²	29	48.6 Å²	48.6	24%	0.24	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-41.7	179.1	0	0	0	0	0	112	V588 L592 A621 L622 F623 N628 D629	V588-A625 HydrophobicContact CG1-CB 3.89Å; L592-A625 HydrophobicContact CD1-CB 3.88Å; L592-A625 HydrophobicContact CD2-CB 4.38Å; A621-A625 WeakPolarHBondContact O-CB 3.35Å; A621-A625 PolarHBondContact O-N 3.12Å; L622-A625 PolarHBondContact O-N 2.55Å; F623-A625 VanDerWaalsContact C-N 3.3Å; F623-A625 PolarHBondContact O-N 3.1Å; A625-N628 PolarHBondContact O-N 3.06Å; A625-D629 VanDerWaalsContact O-CB 3.28Å; A625-D629 WeakPolarHBondContact O-CB 3.37Å; A625-D629 PolarHBondContact O-N 2.72Å
626	I	94.2	Very high	90.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.2	-43.4	175.4	-70.4	166.6	0	0	0	111.5	L592 I605 L622 F623 T624 N628 D629 L632 R633 L635	L592-I626 HydrophobicContact CD2-CD1 4.36Å; L592-I626 HydrophobicContact CD2-CG1 3.57Å; I605-I626 HydrophobicContact CD1-CD1 3.15Å; I605-I626 HydrophobicContact CG1-CD1 3.85Å; I605-I626 HydrophobicContact CG2-CD1 4.45Å; L622-I626 HydrophobicContact CD1-CD1 4.02Å; L622-I626 HydrophobicContact CD1-CG1 4.49Å; L622-I626 HydrophobicContact CG-CD1 4.09Å; L622-I626 WeakPolarHBondContact O-CG1 3.47Å; L622-I626 PolarHBondContact O-N 2.87Å; F623-I626 PolarHBondContact O-N 2.9Å; T624-I626 PolarHBondContact O-N 3.26Å; I626-N628 VanDerWaalsContact C-N 3.32Å; I626-N628 PolarHBondContact O-N 2.88Å; I626-D629 PolarHBondContact O-N 3.32Å; I626-L632 HydrophobicContact CG1-CD1 4.46Å; I626-L632 HydrophobicContact CG2-CB 4.1Å; I626-L632 CarbonylContact O-C 3.47Å; I626-R633 VanDerWaalsContact O-CA 3.27Å; I626-R633 WeakPolarHBondContact O-CA 3.36Å; I626-R633 PolarHBondContact O-N 2.9Å; I626-L635 HydrophobicContact CG2-CB 4.32Å
627	K	95.2	Very high	91.5	Very high	53 Å²	53	49.5 Å²	49.5	23%	0.23	27%	0.267	C	S	.	.	H	α-helix	trans	-68.1	-31.3	179.9	-66.6	-51.4	-177.7	-177.3	0	113	F623 T624 R633 L635 D658	F623-K627 VanDerWaalsContact O-CG 3.3Å; F623-K627 WeakPolarHBondContact O-CG 3.43Å; F623-K627 PolarHBondContact O-N 3.36Å; T624-K627 PolarHBondContact O-N 2.97Å; K627-R633 WeakPolarHBondContact O-CB 3.16Å; K627-L635 PolarHBondContact NZ-O 3.47Å; K627-D658 WeakPolarHBondContact CE-OD2 3.15Å; K627-D658 IonicContact NZ-OD1 3.71Å; K627-D658 PolarHBondContact NZ-OD1 2.72Å; K627-D658 IonicContact NZ-OD2 3.52Å; K627-D658 PolarHBondContact NZ-OD2 3.48Å
628	N	93.1	Very high	92.3	Very high	123 Å²	123	45.1 Å²	45.1	66%	0.658	24%	0.238	S	C	*	.	H	α-helix	trans	-87.4	-18.5	178.8	-69.6	-21.4	0	0	0	113.7	T624 A625 I626 P630	T624-N628 WeakPolarHBondContact CG2-ND2 3.46Å; T624-N628 WeakPolarHBondContact O-CB 3.37Å; T624-N628 PolarHBondContact O-N 3.15Å; T624-N628 PolarHBondContact O-ND2 2.88Å; A625-N628 PolarHBondContact O-N 3.06Å; I626-N628 VanDerWaalsContact C-N 3.32Å; I626-N628 PolarHBondContact O-N 2.88Å; N628-P630 WeakPolarHBondContact O-CD 3.4Å
629	D	92.4	Very high	92.9	Very high	27 Å²	27	44.8 Å²	44.8	14%	0.144	24%	0.236	C	C	.	.			trans	-78	121.3	179.2	-173.8	-47.2	0	0	0	111	R596 A625 I626 Q631 L632 R633	R596-D629 IonicContact CZ-OD2 2.71Å; R596-D629 IonicContact NE-OD2 3.27Å; R596-D629 IonicContact NH2-OD2 2.65Å; R596-D629 PolarHBondContact NH2-OD2 2.79Å; A625-D629 VanDerWaalsContact O-CB 3.28Å; A625-D629 WeakPolarHBondContact O-CB 3.37Å; A625-D629 PolarHBondContact O-N 2.72Å; I626-D629 PolarHBondContact O-N 3.32Å; D629-Q631 PolarHBondContact O-N 3.04Å; D629-Q631 VanDerWaalsContact O-N 3.16Å; D629-Q631 WeakPolarHBondContact OD1-CA 3.42Å; D629-Q631 WeakPolarHBondContact OD1-CB 3.46Å; D629-Q631 PolarHBondContact OD1-N 3.36Å; D629-L632 HydrophobicContact CB-CB 4.07Å; D629-L632 HydrophobicContact CB-CD1 4.26Å; D629-L632 HydrophobicContact CB-CG 4.17Å; D629-L632 PolarHBondContact O-N 2.9Å; D629-L632 VanDerWaalsContact O-N 3.08Å; D629-L632 PolarHBondContact OD1-N 3.36Å; D629-R633 WeakPolarHBondContact O-CB 3.46Å; D629-R633 PolarHBondContact O-N 3.22Å
630	P	90.1	Very high	93.1	Very high	103 Å²	103	45.9 Å²	45.9	67%	0.669	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-31.3	-178.8	-25.6	34.6	0	0	0	114.6	N628	N628-P630 WeakPolarHBondContact O-CD 3.4Å
631	Q	90.1	Very high	93.5	Very high	132 Å²	132	44.4 Å²	44.4	62%	0.617	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-26.8	179.8	-63	-175.9	1.6	0	0	112	D629 H634	D629-Q631 PolarHBondContact O-N 3.04Å; D629-Q631 VanDerWaalsContact O-N 3.16Å; D629-Q631 WeakPolarHBondContact OD1-CA 3.42Å; D629-Q631 WeakPolarHBondContact OD1-CB 3.46Å; D629-Q631 PolarHBondContact OD1-N 3.36Å; Q631-H634 PolarHBondContact O-CE1 3.41Å; Q631-H634 PolarHBondContact O-ND1 3.09Å
632	L	93.2	Very high	93.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-17.8	-171.8	-52.9	-179.7	0	0	0	113.9	L592 V595 R596 V599 I626 D629 H634 L635	L592-L632 HydrophobicContact CD2-CD1 3.79Å; V595-L632 HydrophobicContact CG1-CD1 4.29Å; V595-L632 HydrophobicContact CG1-CD2 4.11Å; R596-L632 HydrophobicContact CG-CD1 4.29Å; R596-L632 HydrophobicContact CG-CD2 4.02Å; V599-L632 HydrophobicContact CB-CD2 4.27Å; V599-L632 HydrophobicContact CG2-CD2 3.77Å; I626-L632 HydrophobicContact CG1-CD1 4.46Å; I626-L632 HydrophobicContact CG2-CB 4.1Å; I626-L632 CarbonylContact O-C 3.47Å; D629-L632 HydrophobicContact CB-CB 4.07Å; D629-L632 HydrophobicContact CB-CD1 4.26Å; D629-L632 HydrophobicContact CB-CG 4.17Å; D629-L632 PolarHBondContact O-N 2.9Å; D629-L632 VanDerWaalsContact O-N 3.08Å; D629-L632 PolarHBondContact OD1-N 3.36Å; L632-H634 PolarHBondContact O-N 3.09Å; L632-L635 HydrophobicContact CB-CD1 4.41Å; L632-L635 HydrophobicContact CD2-CD1 4.26Å; L632-L635 WeakPolarHBondContact O-CB 3.4Å; L632-L635 WeakPolarHBondContact O-CG 3.28Å; L632-L635 PolarHBondContact O-N 3.38Å
633	R	94.3	Very high	93.9	Very high	172 Å²	172	42.8 Å²	42.8	65%	0.649	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.5	-174.2	68.3	178.4	-173.1	173.1	3.4	115.9	I626 K627 D629	I626-R633 VanDerWaalsContact O-CA 3.27Å; I626-R633 WeakPolarHBondContact O-CA 3.36Å; I626-R633 PolarHBondContact O-N 2.9Å; K627-R633 WeakPolarHBondContact O-CB 3.16Å; D629-R633 WeakPolarHBondContact O-CB 3.46Å; D629-R633 PolarHBondContact O-N 3.22Å
634	H	90.5	Very high	93.5	Very high	116 Å²	116	43.7 Å²	43.7	54%	0.537	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-17.7	175.8	69.7	-84.4	0	0	0	112.7	Q631 L632	Q631-H634 PolarHBondContact O-CE1 3.41Å; Q631-H634 PolarHBondContact O-ND1 3.09Å; L632-H634 PolarHBondContact O-N 3.09Å
635	L	94.1	Very high	93.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-74	135.6	177.4	-62.3	-178.4	0	0	0	111	V595 V599 I602 I626 K627 L632	V595-L635 HydrophobicContact CG1-CD1 3.57Å; V599-L635 HydrophobicContact CG2-CD1 4.3Å; I602-L635 HydrophobicContact CD1-CD1 4.25Å; I602-L635 HydrophobicContact CG1-CD2 3.99Å; I602-L635 WeakPolarHBondContact O-CD2 3.46Å; I626-L635 HydrophobicContact CG2-CB 4.32Å; K627-L635 PolarHBondContact NZ-O 3.47Å; L632-L635 HydrophobicContact CB-CD1 4.41Å; L632-L635 HydrophobicContact CD2-CD1 4.26Å; L632-L635 WeakPolarHBondContact O-CB 3.4Å; L632-L635 WeakPolarHBondContact O-CG 3.28Å; L632-L635 PolarHBondContact O-N 3.38Å
636	T	96	Very high	92.8	Very high	52 Å²	52	42.5 Å²	42.5	32%	0.319	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	143.5	170.4	54.7	0	0	0	0	110.9	R512 E603 G604 I605 D658	R512-T636 PolarHBondContact NH1-OG1 3.42Å; R512-T636 PolarHBondContact NH2-O 2.88Å; R512-T636 PolarHBondContact NH2-OG1 2.77Å; E603-T636 PolarHBondContact O-N 3.18Å; E603-T636 PolarHBondContact O-OG1 2.93Å; E603-T636 VanDerWaalsContact O-OG1 3.11Å; G604-T636 CarbonylContact C-O 3.6Å; G604-T636 WeakPolarHBondContact CA-O 3.38Å; I605-T636 PolarHBondContact N-O 2.82Å; T636-D658 WeakPolarHBondContact CA-OD2 3.39Å
637	C	97.9	Very high	92.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	110.5	-179.6	-65.1	0	0	0	0	108.9	I605 F623 D658	I605-C637 HydrophobicContact CG1-CB 4.43Å; F623-C637 HydrophobicContact CB-CB 4.41Å; F623-C637 HydrophobicContact CD1-CB 3.81Å; F623-C637 HydrophobicContact CD2-CB 3.72Å; F623-C637 HydrophobicContact CE1-CB 3.89Å; F623-C637 HydrophobicContact CE2-CB 3.79Å; F623-C637 HydrophobicContact CG-CB 3.73Å; F623-C637 HydrophobicContact CZ-CB 3.87Å; C637-D658 PolarHBondContact N-OD2 3.34Å; C637-D658 PolarHBondContact O-N 3.49Å
638	L	97.1	Very high	91	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.058	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	152.5	-179.8	-63.7	-177.3	0	0	0	112	R512 I605 T606 V607 F623 D658 G659 M661 A697	R512-L638 VanDerWaalsContact CZ-CD1 3.49Å; I605-L638 PolarHBondContact O-N 3.4Å; T606-L638 VanDerWaalsContact CA-O 3.3Å; T606-L638 WeakPolarHBondContact CA-O 3.17Å; T606-L638 HydrophobicContact CG2-CB 4.47Å; V607-L638 PolarHBondContact N-O 2.88Å; F623-L638 WeakPolarHBondContact CZ-O 3.18Å; L638-D658 HydrophobicContact CD2-CB 4.35Å; L638-G659 VanDerWaalsContact CA-O 3.27Å; L638-G659 WeakPolarHBondContact CA-O 3.47Å; L638-G659 VanDerWaalsContact CD2-O 3.26Å; L638-G659 WeakPolarHBondContact CD2-O 3.32Å; L638-M661 HydrophobicContact CB-CE 4.42Å; L638-M661 HydrophobicContact CD1-SD 4.46Å; L638-A697 HydrophobicContact CD2-CB 4.41Å
639	V	97.3	Very high	90.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.8	173	-173.8	0	0	0	0	108.9	V607 A612 T613 V619 F623 L653 G659 A660 M661	V607-V639 HydrophobicContact CG2-CB 4.16Å; V607-V639 HydrophobicContact CG2-CG1 3.99Å; V607-V639 HydrophobicContact CG2-CG2 3.86Å; A612-V639 HydrophobicContact CB-CG1 4.5Å; T613-V639 HydrophobicContact CG2-CG1 3.85Å; V619-V639 HydrophobicContact CG1-CG2 4.43Å; F623-V639 HydrophobicContact CE2-CG2 3.65Å; F623-V639 HydrophobicContact CZ-CG2 4Å; V639-L653 HydrophobicContact CG2-CD2 3.77Å; V639-G659 PolarHBondContact N-O 2.87Å; V639-G659 VanDerWaalsContact N-O 3.1Å; V639-A660 HydrophobicContact CB-CB 4.45Å; V639-A660 CarbonylContact O-C 3.5Å; V639-A660 VanDerWaalsContact O-CA 3.28Å; V639-A660 WeakPolarHBondContact O-CA 3.28Å; V639-M661 PolarHBondContact O-N 3.18Å
640	D	94.8	Very high	89.9	Confident	23 Å²	23	41.4 Å²	41.4	12%	0.123	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	114.2	163.7	-163.5	-9.8	0	0	0	107.9	T606 V607 M661 R700	T606-D640 HydrophobicContact CG2-CB 4.1Å; V607-D640 PolarHBondContact O-N 2.94Å; D640-M661 HydrophobicContact CB-CE 4.05Å; D640-R700 IonicContact OD1-CZ 2.68Å; D640-R700 IonicContact OD1-NH1 3.17Å; D640-R700 PolarHBondContact OD1-NH1 3.11Å; D640-R700 IonicContact OD2-CZ 2.76Å; D640-R700 IonicContact OD2-NH1 2.78Å; D640-R700 PolarHBondContact OD2-NH1 3.24Å
641	S	95.3	Very high	89.6	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	150.4	-169.6	-178.7	0	0	0	0	111.9	E611 G643 M661 L662 D663	E611-S641 WeakPolarHBondContact OE1-CB 3.45Å; E611-S641 PolarHBondContact OE1-OG 3.1Å; E611-S641 WeakPolarHBondContact OE2-CA 3.5Å; E611-S641 PolarHBondContact OE2-OG 3.15Å; E611-S641 VanDerWaalsContact OE2-OG 3.12Å; S641-G643 PolarHBondContact O-N 2.91Å; S641-G643 PolarHBondContact OG-N 3.15Å; S641-G643 VanDerWaalsContact OG-N 3.08Å; S641-M661 PolarHBondContact N-O 3.38Å; S641-L662 WeakPolarHBondContact O-CA 3.46Å; S641-L662 WeakPolarHBondContact O-CD2 3.32Å; S641-D663 PolarHBondContact O-N 2.5Å
642	N	93.4	Very high	89.1	Confident	8 Å²	8	40.3 Å²	40.3	4%	0.043	20%	0.195	C	C	.	.			trans	-77.2	-7.7	169.6	70.6	32.9	0	0	0	113.3	N521 L522 E611 M644 I683	N521-N642 PolarHBondContact OD1-ND2 2.98Å; L522-N642 HydrophobicContact CD1-CB 3.61Å; L522-N642 HydrophobicContact CG-CB 4.49Å; E611-N642 WeakPolarHBondContact OE2-CB 3.34Å; E611-N642 PolarHBondContact OE2-N 3.22Å; E611-N642 PolarHBondContact OE2-ND2 3.26Å; E611-N642 PolarHBondContact OE2-OD1 3.3Å; N642-M644 WeakPolarHBondContact OD1-CB 3.46Å; N642-M644 VanDerWaalsContact OD1-CG 3.25Å; N642-M644 WeakPolarHBondContact OD1-CG 3.44Å; N642-M644 PolarHBondContact OD1-N 2.81Å; N642-I683 WeakPolarHBondContact O-CD1 3.43Å; N642-I683 VanDerWaalsContact O-CG1 3.32Å; N642-I683 WeakPolarHBondContact O-CG1 3.23Å; N642-I683 WeakPolarHBondContact O-CG2 3.35Å
643	G	93.3	Very high	88.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	83.4	6.4	175.1	0	0	0	0	0	115.9	S641 L645 S686	S641-G643 PolarHBondContact O-N 2.91Å; S641-G643 PolarHBondContact OG-N 3.15Å; S641-G643 VanDerWaalsContact OG-N 3.08Å; G643-L645 PolarHBondContact O-N 2.85Å; G643-S686 WeakPolarHBondContact O-CB 3.08Å; G643-S686 PolarHBondContact O-OG 3.32Å
644	M	90	Very high	88.8	Confident	20 Å²	20	33.2 Å²	33.2	10%	0.099	17%	0.17	C	C	.	.			trans	-74.6	-8.6	178	-73	-65.6	-58.4	0	0	114.2	N521 L522 N642 S646 Q682 I683	N521-M644 VanDerWaalsContact ND2-CB 3.27Å; N521-M644 WeakPolarHBondContact ND2-CB 3.43Å; L522-M644 HydrophobicContact CD2-CG 4.08Å; L522-M644 HydrophobicContact CG-CG 4.35Å; N642-M644 WeakPolarHBondContact OD1-CB 3.46Å; N642-M644 VanDerWaalsContact OD1-CG 3.25Å; N642-M644 WeakPolarHBondContact OD1-CG 3.44Å; N642-M644 PolarHBondContact OD1-N 2.81Å; M644-S646 PolarHBondContact O-N 3.36Å; M644-Q682 HydrophobicContact CE-CB 4.48Å; M644-Q682 HydrophobicContact SD-CB 4.32Å; M644-I683 HydrophobicContact CG-CD1 4.27Å; M644-I683 HydrophobicContact CG-CG1 4.08Å; M644-I683 HydrophobicContact SD-CD1 4Å; M644-I683 HydrophobicContact SD-CG1 3.68Å
645	L	87.5	Confident	88.9	Confident	19 Å²	19	32.7 Å²	32.7	10%	0.099	18%	0.177	C	C	.	.	S	Bend	trans	-58.7	136.5	176.8	-174.1	62.8	0	0	0	110.4	T613 L616 G643 W650 L653 Q682 S686	T613-L645 HydrophobicContact CG2-CB 4.37Å; T613-L645 HydrophobicContact CG2-CD2 3.84Å; L616-L645 HydrophobicContact CD1-CD2 4.18Å; L616-L645 HydrophobicContact CD2-CD1 4.26Å; G643-L645 PolarHBondContact O-N 2.85Å; L645-W650 HydrophobicContact CB-CD2 4.4Å; L645-W650 HydrophobicContact CB-CZ2 3.98Å; L645-W650 HydrophobicContact CD2-CD2 3.76Å; L645-W650 HydrophobicContact CD2-CE3 3.94Å; L645-W650 HydrophobicContact CD2-CG 4.12Å; L645-W650 HydrophobicContact CD2-CH2 4.48Å; L645-W650 HydrophobicContact CD2-CZ2 4.33Å; L645-W650 HydrophobicContact CD2-CZ3 4.3Å; L645-W650 HydrophobicContact CG-CD2 4.38Å; L645-W650 HydrophobicContact CG-CG 4.44Å; L645-W650 PolarHBondContact O-NE1 3.13Å; L645-L653 HydrophobicContact CD2-CD2 4.46Å; L645-Q682 PolarHBondContact O-NE2 3.23Å; L645-S686 PolarHBondContact O-OG 2.68Å
646	S	79.7	Confident	88.9	Confident	31 Å²	31	33.7 Å²	33.7	22%	0.217	18%	0.183	C	C	.	.			trans	-64.2	159.3	176.4	66.7	0	0	0	0	111.5	M644 T648 G649 W650	M644-S646 PolarHBondContact O-N 3.36Å; S646-T648 VanDerWaalsContact C-N 3.29Å; S646-T648 PolarHBondContact O-N 3.03Å; S646-T648 PolarHBondContact OG-OG1 3.14Å; S646-G649 WeakPolarHBondContact O-CA 3.38Å; S646-G649 PolarHBondContact O-N 3.16Å; S646-G649 PolarHBondContact OG-N 3.17Å; S646-G649 VanDerWaalsContact OG-N 3.11Å; S646-W650 VanDerWaalsContact O-CD1 3.28Å; S646-W650 PolarHBondContact O-N 3.17Å
647	E	80.3	Confident	88.9	Confident	90 Å²	90	31.5 Å²	31.5	42%	0.421	17%	0.169	S	C	.	.	H	α-helix	trans	-57.7	-43.2	176	-61.1	-177.4	-168.8	0	0	111.6	G649 W650 E651 L689	E647-G649 VanDerWaalsContact C-N 3.25Å; E647-G649 PolarHBondContact O-N 3.41Å; E647-W650 WeakPolarHBondContact O-CB 3.22Å; E647-W650 PolarHBondContact O-N 3.22Å; E647-W650 VanDerWaalsContact O-N 3.11Å; E647-E651 WeakPolarHBondContact O-CG 3.09Å; E647-E651 PolarHBondContact O-N 3.23Å; E647-L689 HydrophobicContact CB-CD2 4.08Å; E647-L689 HydrophobicContact CG-CD2 4.03Å
648	T	71.8	Confident	88.8	Confident	86 Å²	86	34.4 Å²	34.4	53%	0.528	19%	0.185	S	C	.	.	H	α-helix	trans	-62.4	-32	174.6	54.5	0	0	0	0	112.8	S646 K652	S646-T648 VanDerWaalsContact C-N 3.29Å; S646-T648 PolarHBondContact O-N 3.03Å; S646-T648 PolarHBondContact OG-OG1 3.14Å; T648-K652 WeakPolarHBondContact O-CG 3.46Å; T648-K652 PolarHBondContact O-N 2.98Å
649	G	74.7	Confident	88.8	Confident	2 Å²	2	34 Å²	34	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-67.5	-45	172.2	0	0	0	0	0	111.8	S646 E647 E651 K652 L653	S646-G649 WeakPolarHBondContact O-CA 3.38Å; S646-G649 PolarHBondContact O-N 3.16Å; S646-G649 PolarHBondContact OG-N 3.17Å; S646-G649 VanDerWaalsContact OG-N 3.11Å; E647-G649 VanDerWaalsContact C-N 3.25Å; E647-G649 PolarHBondContact O-N 3.41Å; G649-E651 VanDerWaalsContact C-N 3.33Å; G649-E651 PolarHBondContact O-N 3.13Å; G649-K652 PolarHBondContact O-N 3.5Å; G649-L653 PolarHBondContact O-N 3.4Å
650	W	86.9	Confident	88.8	Confident	3 Å²	3	34 Å²	34	1%	0.011	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-42.8	173.1	-72	116.5	0	0	0	111.6	T613 L645 S646 E647 K652 L653 L654 A660 L662 S686 L689 L690	T613-W650 HydrophobicContact CG2-CH2 4.48Å; L645-W650 HydrophobicContact CB-CD2 4.4Å; L645-W650 HydrophobicContact CB-CZ2 3.98Å; L645-W650 HydrophobicContact CD2-CD2 3.76Å; L645-W650 HydrophobicContact CD2-CE3 3.94Å; L645-W650 HydrophobicContact CD2-CG 4.12Å; L645-W650 HydrophobicContact CD2-CH2 4.48Å; L645-W650 HydrophobicContact CD2-CZ2 4.33Å; L645-W650 HydrophobicContact CD2-CZ3 4.3Å; L645-W650 HydrophobicContact CG-CD2 4.38Å; L645-W650 HydrophobicContact CG-CG 4.44Å; L645-W650 PolarHBondContact O-NE1 3.13Å; S646-W650 VanDerWaalsContact O-CD1 3.28Å; S646-W650 PolarHBondContact O-N 3.17Å; E647-W650 WeakPolarHBondContact O-CB 3.22Å; E647-W650 PolarHBondContact O-N 3.22Å; E647-W650 VanDerWaalsContact O-N 3.11Å; W650-K652 PolarHBondContact O-N 3.46Å; W650-L653 HydrophobicContact CE3-CD2 4.13Å; W650-L653 HydrophobicContact CZ3-CD2 3.89Å; W650-L653 CarbonylContact O-C 3.49Å; W650-L653 PolarHBondContact O-N 2.9Å; W650-L654 HydrophobicContact CB-CD1 4.49Å; W650-L654 WeakPolarHBondContact O-CB 3.37Å; W650-L654 WeakPolarHBondContact O-CG 3.44Å; W650-L654 PolarHBondContact O-N 3.46Å; W650-A660 HydrophobicContact CH2-CB 3.83Å; W650-A660 HydrophobicContact CZ3-CB 3.87Å; W650-L662 HydrophobicContact CH2-CD2 4.11Å; W650-L662 HydrophobicContact CZ2-CD2 4.06Å; W650-S686 PolarHBondContact NE1-OG 3.26Å; W650-L689 HydrophobicContact CB-CD2 3.97Å; W650-L689 HydrophobicContact CG-CD2 4.29Å; W650-L690 HydrophobicContact CD2-CD1 3.97Å; W650-L690 HydrophobicContact CD2-CD2 4.04Å; W650-L690 HydrophobicContact CD2-CG 4.26Å; W650-L690 HydrophobicContact CE3-CD1 3.98Å; W650-L690 HydrophobicContact CE3-CD2 3.82Å; W650-L690 HydrophobicContact CE3-CG 4.38Å; W650-L690 HydrophobicContact CG-CD2 4.49Å; W650-L690 HydrophobicContact CH2-CD1 3.68Å; W650-L690 HydrophobicContact CZ2-CD1 3.65Å; W650-L690 HydrophobicContact CZ3-CD1 3.84Å; W650-L690 HydrophobicContact CZ3-CD2 4.27Å
651	E	84.2	Confident	88.8	Confident	98 Å²	98	33 Å²	33	46%	0.458	18%	0.178	S	C	.	.	H	α-helix	trans	-57.5	-33.6	177.1	-73.6	179.7	158.6	0	0	113.6	E647 G649 P655 R693	E647-E651 WeakPolarHBondContact O-CG 3.09Å; E647-E651 PolarHBondContact O-N 3.23Å; G649-E651 VanDerWaalsContact C-N 3.33Å; G649-E651 PolarHBondContact O-N 3.13Å; E651-P655 WeakPolarHBondContact O-CD 3.26Å; E651-R693 IonicContact OE1-NH2 3.31Å
652	K	78.5	Confident	88.8	Confident	114 Å²	114	32.9 Å²	32.9	50%	0.496	18%	0.177	S	C	.	.	H	α-helix	trans	-71.9	-30.9	173.5	-69.2	173	-178.7	178.5	0	113	L616 T648 G649 W650	L616-K652 HydrophobicContact CD2-CD 4.3Å; T648-K652 WeakPolarHBondContact O-CG 3.46Å; T648-K652 PolarHBondContact O-N 2.98Å; G649-K652 PolarHBondContact O-N 3.5Å; W650-K652 PolarHBondContact O-N 3.46Å
653	L	87	Confident	88.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-90.5	-34.4	-174.4	-171.6	55.3	0	0	0	113.1	T613 L616 V619 V620 F623 V639 L645 G649 W650 P655 V656 C657	T613-L653 HydrophobicContact CG2-CD2 4.49Å; L616-L653 HydrophobicContact CD1-CB 4.1Å; L616-L653 HydrophobicContact CD1-CD1 4.48Å; L616-L653 HydrophobicContact CD1-CD2 4.23Å; L616-L653 HydrophobicContact CD1-CG 4.5Å; V619-L653 HydrophobicContact CG1-CD1 3.79Å; V620-L653 HydrophobicContact CG2-CB 4.49Å; V620-L653 HydrophobicContact CG2-CD1 3.95Å; F623-L653 HydrophobicContact CD2-CD1 3.89Å; F623-L653 HydrophobicContact CE2-CD1 4.21Å; V639-L653 HydrophobicContact CG2-CD2 3.77Å; L645-L653 HydrophobicContact CD2-CD2 4.46Å; G649-L653 PolarHBondContact O-N 3.4Å; W650-L653 HydrophobicContact CE3-CD2 4.13Å; W650-L653 HydrophobicContact CZ3-CD2 3.89Å; W650-L653 CarbonylContact O-C 3.49Å; W650-L653 PolarHBondContact O-N 2.9Å; L653-P655 VanDerWaalsContact C-N 3.33Å; L653-V656 HydrophobicContact CD1-CG2 4.29Å; L653-V656 WeakPolarHBondContact O-CG2 3.26Å; L653-V656 PolarHBondContact O-N 3.01Å; L653-C657 HydrophobicContact CD1-CB 4.12Å; L653-C657 HydrophobicContact CG-CB 3.83Å; L653-C657 WeakPolarHBondContact O-CB 3.14Å; L653-C657 PolarHBondContact O-N 3.29Å
654	L	93.7	Very high	88.8	Confident	23 Å²	23	33.9 Å²	33.9	12%	0.12	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-38	-177.9	-79.2	170.1	0	0	0	114.8	W650 V656 L690 R693 K695	W650-L654 HydrophobicContact CB-CD1 4.49Å; W650-L654 WeakPolarHBondContact O-CB 3.37Å; W650-L654 WeakPolarHBondContact O-CG 3.44Å; W650-L654 PolarHBondContact O-N 3.46Å; L654-V656 PolarHBondContact O-N 2.66Å; L654-L690 HydrophobicContact CD2-CD2 3.91Å; L654-R693 HydrophobicContact CD1-CG 4.17Å; L654-R693 VanDerWaalsContact CD1-NH1 3.25Å; L654-R693 HydrophobicContact CD2-CB 4.28Å; L654-K695 HydrophobicContact CD2-CB 3.82Å; L654-K695 HydrophobicContact CD2-CG 3.58Å
655	P	92.6	Very high	89	Confident	105 Å²	105	34.1 Å²	34.1	68%	0.682	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-24	179	-24.2	35.4	0	0	0	114.2	E651 L653	E651-P655 WeakPolarHBondContact O-CD 3.26Å; L653-P655 VanDerWaalsContact C-N 3.33Å
656	V	94.5	Very high	89.3	Confident	21 Å²	21	33.2 Å²	33.2	13%	0.127	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-7.6	-172.6	-62.2	0	0	0	0	113.5	V620 F623 L653 L654	V620-V656 HydrophobicContact CG1-CG2 4.37Å; F623-V656 HydrophobicContact CB-CB 3.94Å; F623-V656 HydrophobicContact CB-CG2 3.79Å; L653-V656 HydrophobicContact CD1-CG2 4.29Å; L653-V656 WeakPolarHBondContact O-CG2 3.26Å; L653-V656 PolarHBondContact O-N 3.01Å; L654-V656 PolarHBondContact O-N 2.66Å
657	C	95.5	Very high	90	Very high	6 Å²	6	33.3 Å²	33.3	4%	0.041	17%	0.174	C	C	.	.			trans	-100.7	136.2	179.1	-177.2	0	0	0	0	111.5	F623 L653 G659 K695	F623-C657 HydrophobicContact CD2-CB 4.1Å; F623-C657 HydrophobicContact CE2-CB 4.18Å; L653-C657 HydrophobicContact CD1-CB 4.12Å; L653-C657 HydrophobicContact CG-CB 3.83Å; L653-C657 WeakPolarHBondContact O-CB 3.14Å; L653-C657 PolarHBondContact O-N 3.29Å; C657-G659 PolarHBondContact SG-N 3.26Å; C657-G659 VanDerWaalsContact SG-N 3.44Å; C657-G659 PolarHBondContact SG-O 3.18Å; C657-K695 PolarHBondContact O-NZ 3.43Å
658	D	97.1	Very high	90.6	Very high	60 Å²	60	29.8 Å²	29.8	32%	0.321	16%	0.162	S	C	.	.	S	Bend	trans	-84.7	-25.1	176.6	-62	-64.6	0	0	0	112.5	K627 T636 C637 L638 K695	K627-D658 WeakPolarHBondContact CE-OD2 3.15Å; K627-D658 IonicContact NZ-OD1 3.71Å; K627-D658 PolarHBondContact NZ-OD1 2.72Å; K627-D658 IonicContact NZ-OD2 3.52Å; K627-D658 PolarHBondContact NZ-OD2 3.48Å; T636-D658 WeakPolarHBondContact CA-OD2 3.39Å; C637-D658 PolarHBondContact N-OD2 3.34Å; C637-D658 PolarHBondContact O-N 3.49Å; L638-D658 HydrophobicContact CD2-CB 4.35Å; D658-K695 VanDerWaalsContact O-CD 3.26Å; D658-K695 WeakPolarHBondContact O-CD 3.13Å
659	G	96.2	Very high	91.6	Very high	2 Å²	2	27.8 Å²	27.8	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.7	167.1	174.1	0	0	0	0	0	113.9	L638 V639 C657 K695	L638-G659 VanDerWaalsContact CA-O 3.27Å; L638-G659 WeakPolarHBondContact CA-O 3.47Å; L638-G659 VanDerWaalsContact CD2-O 3.26Å; L638-G659 WeakPolarHBondContact CD2-O 3.32Å; V639-G659 PolarHBondContact N-O 2.87Å; V639-G659 VanDerWaalsContact N-O 3.1Å; C657-G659 PolarHBondContact SG-N 3.26Å; C657-G659 VanDerWaalsContact SG-N 3.44Å; C657-G659 PolarHBondContact SG-O 3.18Å; G659-K695 CarbonylContact C-O 3.56Å; G659-K695 WeakPolarHBondContact CA-O 3.38Å
660	A	97.2	Very high	92.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.8	176.5	0	0	0	0	0	110.6	V639 W650 L662 L690 K695 A697	V639-A660 HydrophobicContact CB-CB 4.45Å; V639-A660 CarbonylContact O-C 3.5Å; V639-A660 VanDerWaalsContact O-CA 3.28Å; V639-A660 WeakPolarHBondContact O-CA 3.28Å; W650-A660 HydrophobicContact CH2-CB 3.83Å; W650-A660 HydrophobicContact CZ3-CB 3.87Å; A660-L662 HydrophobicContact CB-CD2 4.25Å; A660-L690 HydrophobicContact CB-CD1 3.69Å; A660-K695 PolarHBondContact N-O 3.03Å; A660-A697 PolarHBondContact O-N 2.85Å
661	M	95.3	Very high	92.8	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.9	169.3	-58.2	168.1	-63.6	0	0	106.3	D507 T606 L638 V639 D640 S641 A697 E698 R700	D507-M661 WeakPolarHBondContact O-CE 3.13Å; T606-M661 HydrophobicContact CG2-CE 3.72Å; L638-M661 HydrophobicContact CB-CE 4.42Å; L638-M661 HydrophobicContact CD1-SD 4.46Å; V639-M661 PolarHBondContact O-N 3.18Å; D640-M661 HydrophobicContact CB-CE 4.05Å; S641-M661 PolarHBondContact N-O 3.38Å; M661-A697 HydrophobicContact CG-CB 4.2Å; M661-E698 WeakPolarHBondContact CA-O 3.45Å; M661-E698 HydrophobicContact CB-CB 4.28Å; M661-E698 HydrophobicContact CG-CB 3.94Å; M661-R700 PolarHBondContact SD-NH2 3.17Å
662	L	96.5	Very high	93.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134	-174.1	-65.1	-167.9	0	0	0	111.9	S641 W650 A660 I687 L690 L696 E698 R700	S641-L662 WeakPolarHBondContact O-CA 3.46Å; S641-L662 WeakPolarHBondContact O-CD2 3.32Å; W650-L662 HydrophobicContact CH2-CD2 4.11Å; W650-L662 HydrophobicContact CZ2-CD2 4.06Å; A660-L662 HydrophobicContact CB-CD2 4.25Å; L662-I687 HydrophobicContact CB-CG1 4.08Å; L662-I687 HydrophobicContact CD1-CB 4.37Å; L662-I687 HydrophobicContact CD1-CG1 3.61Å; L662-L690 HydrophobicContact CD1-CD1 3.63Å; L662-L690 HydrophobicContact CD2-CD1 4.31Å; L662-L690 HydrophobicContact CG-CD1 4.08Å; L662-L696 HydrophobicContact CB-CD1 3.99Å; L662-L696 HydrophobicContact CD1-CD1 4.06Å; L662-L696 HydrophobicContact CG-CD1 3.81Å; L662-E698 PolarHBondContact N-O 3.11Å; L662-R700 PolarHBondContact O-N 2.84Å
663	D	92.5	Very high	94	Very high	29 Å²	29	29.7 Å²	29.7	16%	0.155	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.7	170.7	-67.4	-49.5	0	0	0	111.6	S641 K665 R700	S641-D663 PolarHBondContact O-N 2.5Å; D663-K665 HydrophobicContact CB-CG 4.24Å; D663-K665 VanDerWaalsContact CB-NZ 3.27Å; D663-K665 VanDerWaalsContact CG-NZ 3.26Å; D663-K665 IonicContact OD2-NZ 3.64Å; D663-K665 PolarHBondContact OD2-NZ 3.13Å; D663-R700 WeakPolarHBondContact CA-O 3.47Å; D663-R700 WeakPolarHBondContact OD1-CB 3.36Å; D663-R700 WeakPolarHBondContact OD1-CD 3.2Å
664	L	94.3	Very high	94.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	110	161.9	177.2	67.7	0	0	0	107.8	A666 W667 N680 I683 K684 I687 L699 R700 L701 Y710 L717	L664-A666 VanDerWaalsContact CD1-O 3.32Å; L664-A666 WeakPolarHBondContact CD1-O 3.26Å; L664-W667 HydrophobicContact CD2-CE3 4.1Å; L664-W667 HydrophobicContact CD2-CZ3 4.47Å; L664-N680 HydrophobicContact CD1-CB 4.09Å; L664-I683 HydrophobicContact CD1-CG2 4.34Å; L664-K684 HydrophobicContact CD1-CG 4.32Å; L664-I687 HydrophobicContact CB-CD1 4.1Å; L664-L699 HydrophobicContact CB-CD1 4.26Å; L664-R700 PolarHBondContact N-O 2.9Å; L664-L701 HydrophobicContact CB-CD2 3.85Å; L664-L701 HydrophobicContact CD2-CD2 4.07Å; L664-L701 HydrophobicContact CG-CD2 4.32Å; L664-Y710 PolarHBondContact O-OH 2.82Å; L664-L717 HydrophobicContact CD2-CD1 4.29Å
665	K	92.5	Very high	94.1	Very high	24 Å²	24	34.3 Å²	34.3	10%	0.104	19%	0.185	C	C	.	.			trans	-88.3	-12.2	-167.7	-56.8	-168	-173.6	-58.5	0	115.3	C524 D663 T676 V708	C524-K665 VanDerWaalsContact SG-CD 3.57Å; C524-K665 VanDerWaalsContact SG-CE 3.52Å; D663-K665 HydrophobicContact CB-CG 4.24Å; D663-K665 VanDerWaalsContact CB-NZ 3.27Å; D663-K665 VanDerWaalsContact CG-NZ 3.26Å; D663-K665 IonicContact OD2-NZ 3.64Å; D663-K665 PolarHBondContact OD2-NZ 3.13Å; K665-T676 HydrophobicContact CB-CG2 3.99Å; K665-T676 HydrophobicContact CD-CG2 3.8Å; K665-T676 HydrophobicContact CG-CG2 4.38Å; K665-V708 WeakPolarHBondContact O-CG1 3.4Å
666	A	93.6	Very high	94	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.			trans	-166.8	159	172.3	0	0	0	0	0	108.3	L664 C671 H672 L675 N680	L664-A666 VanDerWaalsContact CD1-O 3.32Å; L664-A666 WeakPolarHBondContact CD1-O 3.26Å; A666-C671 HydrophobicContact CB-CB 4.04Å; A666-H672 HydrophobicContact CB-CB 3.97Å; A666-L675 HydrophobicContact CB-CD1 4.07Å; A666-N680 PolarHBondContact O-ND2 3.07Å
667	W	94.4	Very high	93.6	Very high	33 Å²	33	30.7 Å²	30.7	13%	0.125	17%	0.171	C	C	.	.	S	Bend	trans	-83.9	-52.3	178.7	178.4	-98.9	0	0	0	112.6	L664 N680 K684 D709 Y710 H713 E716 L717 F720	L664-W667 HydrophobicContact CD2-CE3 4.1Å; L664-W667 HydrophobicContact CD2-CZ3 4.47Å; W667-N680 PolarHBondContact O-ND2 3.15Å; W667-K684 WeakPolarHBondContact O-CE 3.16Å; W667-K684 PolarHBondContact O-NZ 2.79Å; W667-D709 PolarHBondContact N-OD1 2.82Å; W667-Y710 HydrophobicContact CB-CD1 4.29Å; W667-H713 HydrophobicContact CB-CB 4.14Å; W667-H713 AromaticContact CD1-CD2 3.72Å; W667-H713 AromaticContact CD1-CG 3.3Å; W667-H713 AromaticContact CD1-ND1 3.87Å; W667-H713 HydrophobicContact CG-CB 3.71Å; W667-H713 AromaticContact NE1-CG 3.97Å; W667-E716 HydrophobicContact CZ2-CB 3.57Å; W667-L717 HydrophobicContact CD2-CB 4.36Å; W667-L717 HydrophobicContact CE3-CB 4.17Å; W667-L717 HydrophobicContact CE3-CD1 3.68Å; W667-L717 HydrophobicContact CZ3-CD1 4.06Å; W667-F720 HydrophobicContact CH2-CB 3.44Å; W667-F720 VanDerWaalsContact CH2-CB 3.44Å; W667-F720 HydrophobicContact CH2-CD1 4.3Å; W667-F720 AromaticContact CH2-CD2 3.94Å; W667-F720 HydrophobicContact CH2-CD2 3.94Å; W667-F720 AromaticContact CH2-CG 3.65Å; W667-F720 HydrophobicContact CH2-CG 3.65Å; W667-F720 HydrophobicContact CZ3-CB 3.63Å; W667-F720 AromaticContact CZ3-CD1 3.74Å; W667-F720 HydrophobicContact CZ3-CD1 3.74Å; W667-F720 HydrophobicContact CZ3-CD2 4.15Å; W667-F720 HydrophobicContact CZ3-CE1 4.44Å; W667-F720 AromaticContact CZ3-CG 3.57Å; W667-F720 HydrophobicContact CZ3-CG 3.57Å
668	G	93.1	Very high	93.1	Very high	16 Å²	16	32.9 Å²	32.9	17%	0.165	18%	0.178	C	C	.	.	S	Bend	trans	-71.6	140.2	178.7	0	0	0	0	0	111.5	E670 C671 H672 D709	G668-E670 VanDerWaalsContact C-N 3.29Å; G668-E670 PolarHBondContact O-N 2.79Å; G668-C671 PolarHBondContact O-N 2.81Å; G668-H672 WeakPolarHBondContact O-CB 3.48Å; G668-H672 PolarHBondContact O-N 3.38Å; G668-D709 WeakPolarHBondContact CA-OD2 3.43Å; G668-D709 PolarHBondContact N-OD1 3.23Å; G668-D709 PolarHBondContact N-OD2 3.13Å
669	S	92.6	Very high	92.9	Very high	45 Å²	45	32.9 Å²	32.9	32%	0.315	18%	0.178	S	C	.	.	H	α-helix	trans	-59.8	-40.5	178.7	-75.8	0	0	0	0	112.2	H672 Q673	S669-H672 PolarHBondContact O-N 2.76Å; S669-Q673 WeakPolarHBondContact O-CB 3.49Å; S669-Q673 PolarHBondContact O-N 2.65Å
670	E	93.5	Very high	92.7	Very high	141 Å²	141	32.8 Å²	32.8	66%	0.659	18%	0.177	S	C	*	.	H	α-helix	trans	-65	-48.9	180	-171.7	-178.4	174.4	0	0	111.5	G668 H672 Q673 Q674	G668-E670 VanDerWaalsContact C-N 3.29Å; G668-E670 PolarHBondContact O-N 2.79Å; E670-H672 VanDerWaalsContact C-N 3.32Å; E670-H672 PolarHBondContact O-N 2.98Å; E670-Q673 PolarHBondContact O-N 3.03Å; E670-Q674 WeakPolarHBondContact O-CG 3.32Å; E670-Q674 PolarHBondContact O-N 3.45Å
671	C	94.5	Very high	92.5	Very high	20 Å²	20	38.1 Å²	38.1	14%	0.135	20%	0.202	C	C	.	.	H	α-helix	trans	-60.3	-42.2	175.7	-177.9	0	0	0	0	111.3	A666 G668 Q673 Q674 L675 Q707 D709	A666-C671 HydrophobicContact CB-CB 4.04Å; G668-C671 PolarHBondContact O-N 2.81Å; C671-Q673 VanDerWaalsContact C-N 3.35Å; C671-Q673 PolarHBondContact O-N 2.86Å; C671-Q674 PolarHBondContact O-N 3.11Å; C671-L675 WeakPolarHBondContact O-CG 3.37Å; C671-L675 PolarHBondContact O-N 2.94Å; C671-Q707 PolarHBondContact SG-O 3.36Å; C671-D709 HydrophobicContact CB-CB 4.19Å; C671-D709 VanDerWaalsContact CB-OD2 3.28Å; C671-D709 WeakPolarHBondContact CB-OD2 3.33Å
672	H	95.2	Very high	92.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-41.3	176.2	-165.3	-85.1	0	0	0	112.5	A666 G668 S669 E670 L675 T676 R678 D679 N680 I683	A666-H672 HydrophobicContact CB-CB 3.97Å; G668-H672 WeakPolarHBondContact O-CB 3.48Å; G668-H672 PolarHBondContact O-N 3.38Å; S669-H672 PolarHBondContact O-N 2.76Å; E670-H672 VanDerWaalsContact C-N 3.32Å; E670-H672 PolarHBondContact O-N 2.98Å; H672-L675 PolarHBondContact O-N 2.96Å; H672-T676 PolarHBondContact CE1-OG1 3.2Å; H672-T676 VanDerWaalsContact CE1-OG1 3.23Å; H672-T676 PolarHBondContact ND1-OG1 3.22Å; H672-T676 VanDerWaalsContact ND1-OG1 3.09Å; H672-T676 WeakPolarHBondContact O-CB 3.4Å; H672-T676 WeakPolarHBondContact O-CG2 2.9Å; H672-T676 PolarHBondContact O-N 3.43Å; H672-T676 PolarHBondContact O-OG1 2.94Å; H672-R678 CarbonylContact C-O 3.35Å; H672-R678 VanDerWaalsContact C-O 3.29Å; H672-R678 PolarHBondContact ND1-O 3.16Å; H672-D679 PolarHBondContact ND1-O 3.42Å; H672-N680 HydrophobicContact CB-CB 4.06Å; H672-I683 WeakPolarHBondContact CE1-CD1 3.45Å
673	Q	92.3	Very high	92.2	Very high	96 Å²	96	40.1 Å²	40.1	45%	0.449	21%	0.211	S	C	.	.	H	α-helix	trans	-65.6	-41.9	176.7	-172.4	173.9	1.6	0	0	111.6	S669 E670 C671 L675 T676 G677 R678	S669-Q673 WeakPolarHBondContact O-CB 3.49Å; S669-Q673 PolarHBondContact O-N 2.65Å; E670-Q673 PolarHBondContact O-N 3.03Å; C671-Q673 VanDerWaalsContact C-N 3.35Å; C671-Q673 PolarHBondContact O-N 2.86Å; Q673-L675 VanDerWaalsContact C-N 3.29Å; Q673-L675 PolarHBondContact O-N 2.62Å; Q673-T676 PolarHBondContact O-N 3.12Å; Q673-G677 WeakPolarHBondContact O-CA 3.36Å; Q673-G677 PolarHBondContact O-N 3.27Å; Q673-R678 WeakPolarHBondContact CA-O 3.5Å; Q673-R678 PolarHBondContact N-O 2.78Å
674	Q	91.3	Very high	92.4	Very high	114 Å²	114	40.7 Å²	40.7	53%	0.533	21%	0.212	S	C	.	.	H	α-helix	trans	-61.1	-36.1	175.1	-71.6	174.1	6.2	0	0	112.8	K525 E670 C671	K525-Q674 VanDerWaalsContact CD-O 3.26Å; K525-Q674 WeakPolarHBondContact CD-O 3.2Å; K525-Q674 WeakPolarHBondContact CE-O 3.43Å; K525-Q674 PolarHBondContact NZ-O 3.34Å; K525-Q674 VanDerWaalsContact NZ-O 3.12Å; E670-Q674 WeakPolarHBondContact O-CG 3.32Å; E670-Q674 PolarHBondContact O-N 3.45Å; C671-Q674 PolarHBondContact O-N 3.11Å
675	L	91.6	Very high	92.4	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-81.4	-36.5	-179.7	-72.9	175.7	0	0	0	114	C524 K525 A666 C671 H672 Q673 Q707 V708 W746	C524-L675 WeakPolarHBondContact CA-O 3.33Å; K525-L675 PolarHBondContact N-O 2.71Å; A666-L675 HydrophobicContact CB-CD1 4.07Å; C671-L675 WeakPolarHBondContact O-CG 3.37Å; C671-L675 PolarHBondContact O-N 2.94Å; H672-L675 PolarHBondContact O-N 2.96Å; Q673-L675 VanDerWaalsContact C-N 3.29Å; Q673-L675 PolarHBondContact O-N 2.62Å; L675-Q707 HydrophobicContact CD2-CB 4.15Å; L675-V708 HydrophobicContact CD1-CG1 3.89Å; L675-W746 HydrophobicContact CD2-CH2 3.8Å; L675-W746 HydrophobicContact CD2-CZ3 4.08Å
676	T	89.9	Confident	92.6	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-120.9	-11.6	-165.4	74.1	0	0	0	0	114.9	R523 K665 H672 Q673 R678	R523-T676 CarbonylContact C-O 3.29Å; R523-T676 PolarHBondContact N-O 3.02Å; K665-T676 HydrophobicContact CB-CG2 3.99Å; K665-T676 HydrophobicContact CD-CG2 3.8Å; K665-T676 HydrophobicContact CG-CG2 4.38Å; H672-T676 PolarHBondContact CE1-OG1 3.2Å; H672-T676 VanDerWaalsContact CE1-OG1 3.23Å; H672-T676 PolarHBondContact ND1-OG1 3.22Å; H672-T676 VanDerWaalsContact ND1-OG1 3.09Å; H672-T676 WeakPolarHBondContact O-CB 3.4Å; H672-T676 WeakPolarHBondContact O-CG2 2.9Å; H672-T676 PolarHBondContact O-N 3.43Å; H672-T676 PolarHBondContact O-OG1 2.94Å; Q673-T676 PolarHBondContact O-N 3.12Å; T676-R678 VanDerWaalsContact C-N 3.31Å; T676-R678 PolarHBondContact OG1-N 3.14Å; T676-R678 PolarHBondContact OG1-O 3.29Å
677	G	87.8	Confident	92.8	Very high	50 Å²	50	46 Å²	46	52%	0.515	23%	0.232	S	C	.	.	S	Bend	trans	80.9	0.2	-172.3	0	0	0	0	0	114.8	Q673	Q673-G677 WeakPolarHBondContact O-CA 3.36Å; Q673-G677 PolarHBondContact O-N 3.27Å
678	R	84.4	Confident	92.9	Very high	52 Å²	52	46.5 Å²	46.5	20%	0.196	24%	0.239	C	C	.	.	S	Bend	trans	-140.6	156.1	176.1	-62.2	-162.9	-178.2	-152.5	-4.7	112	R338 D397 N521 L522 H672 Q673 T676	R338-R678 VanDerWaalsContact NH1-NH1 3.19Å; D397-R678 IonicContact OD1-NH1 3.65Å; D397-R678 IonicContact OD2-NH1 3.4Å; D397-R678 PolarHBondContact OD2-NH1 3.49Å; N521-R678 PolarHBondContact O-NE 2.97Å; L522-R678 HydrophobicContact CD2-CB 3.69Å; L522-R678 HydrophobicContact CD2-CG 3.75Å; H672-R678 CarbonylContact C-O 3.35Å; H672-R678 VanDerWaalsContact C-O 3.29Å; H672-R678 PolarHBondContact ND1-O 3.16Å; Q673-R678 WeakPolarHBondContact CA-O 3.5Å; Q673-R678 PolarHBondContact N-O 2.78Å; T676-R678 VanDerWaalsContact C-N 3.31Å; T676-R678 PolarHBondContact OG1-N 3.14Å; T676-R678 PolarHBondContact OG1-O 3.29Å
679	D	92.2	Very high	93	Very high	59 Å²	59	46.5 Å²	46.5	32%	0.316	24%	0.236	S	C	.	.			trans	-67.4	176.9	169.1	73.3	72.5	0	0	0	112.3	H672 Q681	H672-D679 PolarHBondContact ND1-O 3.42Å; D679-Q681 WeakPolarHBondContact OD1-CB 3.42Å; D679-Q681 PolarHBondContact OD1-N 3.41Å
680	N	93.4	Very high	93.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-114.4	14.6	-178.4	64.4	18.7	0	0	0	115.1	L664 A666 W667 H672 I683 K684	L664-N680 HydrophobicContact CD1-CB 4.09Å; A666-N680 PolarHBondContact O-ND2 3.07Å; W667-N680 PolarHBondContact O-ND2 3.15Å; H672-N680 HydrophobicContact CB-CB 4.06Å; N680-I683 HydrophobicContact CB-CB 4.4Å; N680-I683 HydrophobicContact CB-CD1 4.34Å; N680-I683 PolarHBondContact O-N 3.29Å; N680-K684 WeakPolarHBondContact O-CG 3.32Å; N680-K684 PolarHBondContact O-N 3.05Å; N680-K684 WeakPolarHBondContact OD1-CE 3.22Å; N680-K684 PolarHBondContact OD1-NZ 3.49Å
681	Q	91.9	Very high	93.4	Very high	114 Å²	114	38.6 Å²	38.6	53%	0.533	20%	0.197	S	C	.	.	H	α-helix	trans	-62.7	-48.4	-176.7	-67.8	-170.5	-2.9	0	0	111.6	D679 I683 K684 R685	D679-Q681 WeakPolarHBondContact OD1-CB 3.42Å; D679-Q681 PolarHBondContact OD1-N 3.41Å; Q681-I683 VanDerWaalsContact C-N 3.31Å; Q681-I683 PolarHBondContact O-N 3.38Å; Q681-K684 PolarHBondContact O-N 3.04Å; Q681-R685 WeakPolarHBondContact O-CG 3.43Å; Q681-R685 PolarHBondContact O-N 2.89Å; Q681-R685 VanDerWaalsContact O-N 3.13Å
682	Q	90.3	Very high	93.4	Very high	41 Å²	41	45.1 Å²	45.1	19%	0.192	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-37	177.3	-177	57	30.8	0	0	111.8	M644 L645 R685 S686	M644-Q682 HydrophobicContact CE-CB 4.48Å; M644-Q682 HydrophobicContact SD-CB 4.32Å; L645-Q682 PolarHBondContact O-NE2 3.23Å; Q682-R685 WeakPolarHBondContact O-CB 3.39Å; Q682-R685 PolarHBondContact O-N 3.03Å; Q682-S686 PolarHBondContact O-N 2.8Å; Q682-S686 PolarHBondContact O-OG 3.16Å
683	I	94.5	Very high	93.4	Very high	1 Å²	1	51 Å²	51	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-62.8	-46.8	179	-58.2	176.1	0	0	0	110.1	N642 M644 L664 H672 N680 Q681 R685 S686 I687	N642-I683 WeakPolarHBondContact O-CD1 3.43Å; N642-I683 VanDerWaalsContact O-CG1 3.32Å; N642-I683 WeakPolarHBondContact O-CG1 3.23Å; N642-I683 WeakPolarHBondContact O-CG2 3.35Å; M644-I683 HydrophobicContact CG-CD1 4.27Å; M644-I683 HydrophobicContact CG-CG1 4.08Å; M644-I683 HydrophobicContact SD-CD1 4Å; M644-I683 HydrophobicContact SD-CG1 3.68Å; L664-I683 HydrophobicContact CD1-CG2 4.34Å; H672-I683 WeakPolarHBondContact CE1-CD1 3.45Å; N680-I683 HydrophobicContact CB-CB 4.4Å; N680-I683 HydrophobicContact CB-CD1 4.34Å; N680-I683 PolarHBondContact O-N 3.29Å; Q681-I683 VanDerWaalsContact C-N 3.31Å; Q681-I683 PolarHBondContact O-N 3.38Å; I683-R685 VanDerWaalsContact C-N 3.31Å; I683-R685 PolarHBondContact O-N 3.19Å; I683-S686 PolarHBondContact O-N 2.75Å; I683-I687 HydrophobicContact CG2-CD1 3.93Å; I683-I687 VanDerWaalsContact O-CG1 3.24Å; I683-I687 WeakPolarHBondContact O-CG1 3.26Å; I683-I687 PolarHBondContact O-N 3.34Å
684	K	96.6	Very high	93.5	Very high	41 Å²	41	49.5 Å²	49.5	18%	0.178	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-39.8	175.4	-72.3	173.1	178.4	170.4	0	112	L664 W667 N680 Q681 I687 C688 F720	L664-K684 HydrophobicContact CD1-CG 4.32Å; W667-K684 WeakPolarHBondContact O-CE 3.16Å; W667-K684 PolarHBondContact O-NZ 2.79Å; N680-K684 WeakPolarHBondContact O-CG 3.32Å; N680-K684 PolarHBondContact O-N 3.05Å; N680-K684 WeakPolarHBondContact OD1-CE 3.22Å; N680-K684 PolarHBondContact OD1-NZ 3.49Å; Q681-K684 PolarHBondContact O-N 3.04Å; K684-I687 PolarHBondContact O-N 2.92Å; K684-C688 PolarHBondContact O-N 3.23Å; K684-C688 PolarHBondContact O-SG 3.48Å; K684-C688 VanDerWaalsContact O-SG 3.34Å; K684-F720 HydrophobicContact CB-CE2 4.28Å; K684-F720 HydrophobicContact CB-CZ 4.18Å; K684-F720 HydrophobicContact CG-CE2 4.44Å; K684-F720 HydrophobicContact CG-CZ 4.2Å
685	R	95	Very high	93.8	Very high	138 Å²	138	46.7 Å²	46.7	52%	0.521	24%	0.244	S	C	.	.	H	α-helix	trans	-63.3	-46	174.4	-70.6	-179.5	-174.6	171.4	2.2	112.2	Q681 Q682 I683 I687 C688 L689	Q681-R685 WeakPolarHBondContact O-CG 3.43Å; Q681-R685 PolarHBondContact O-N 2.89Å; Q681-R685 VanDerWaalsContact O-N 3.13Å; Q682-R685 WeakPolarHBondContact O-CB 3.39Å; Q682-R685 PolarHBondContact O-N 3.03Å; I683-R685 VanDerWaalsContact C-N 3.31Å; I683-R685 PolarHBondContact O-N 3.19Å; R685-I687 VanDerWaalsContact C-N 3.3Å; R685-I687 PolarHBondContact O-N 3.16Å; R685-C688 PolarHBondContact O-N 3.3Å; R685-L689 WeakPolarHBondContact O-CB 3.01Å; R685-L689 PolarHBondContact O-N 3.36Å
686	S	96.4	Very high	94	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.5	-41	175.3	-66.5	0	0	0	0	112.1	G643 L645 W650 Q682 I683 L690	G643-S686 WeakPolarHBondContact O-CB 3.08Å; G643-S686 PolarHBondContact O-OG 3.32Å; L645-S686 PolarHBondContact O-OG 2.68Å; W650-S686 PolarHBondContact NE1-OG 3.26Å; Q682-S686 PolarHBondContact O-N 2.8Å; Q682-S686 PolarHBondContact O-OG 3.16Å; I683-S686 PolarHBondContact O-N 2.75Å; S686-L690 VanDerWaalsContact O-CB 3.3Å; S686-L690 WeakPolarHBondContact O-CB 3.46Å; S686-L690 VanDerWaalsContact O-CG 3.26Å; S686-L690 WeakPolarHBondContact O-CG 3.49Å; S686-L690 PolarHBondContact O-N 2.68Å
687	I	97.8	Very high	94.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-51.2	174.8	-69.7	163.9	0	0	0	110.4	L662 L664 I683 K684 R685 L690 A691 L696 L699 F720 L724	L662-I687 HydrophobicContact CB-CG1 4.08Å; L662-I687 HydrophobicContact CD1-CB 4.37Å; L662-I687 HydrophobicContact CD1-CG1 3.61Å; L664-I687 HydrophobicContact CB-CD1 4.1Å; I683-I687 HydrophobicContact CG2-CD1 3.93Å; I683-I687 VanDerWaalsContact O-CG1 3.24Å; I683-I687 WeakPolarHBondContact O-CG1 3.26Å; I683-I687 PolarHBondContact O-N 3.34Å; K684-I687 PolarHBondContact O-N 2.92Å; R685-I687 VanDerWaalsContact C-N 3.3Å; R685-I687 PolarHBondContact O-N 3.16Å; I687-L690 PolarHBondContact O-N 2.9Å; I687-A691 VanDerWaalsContact O-CB 3.32Å; I687-A691 WeakPolarHBondContact O-CB 3.41Å; I687-A691 PolarHBondContact O-N 3.43Å; I687-L696 HydrophobicContact CG2-CD2 3.76Å; I687-L699 HydrophobicContact CD1-CD1 3.67Å; I687-L699 HydrophobicContact CG1-CD1 4.11Å; I687-L699 HydrophobicContact CG2-CD1 4.35Å; I687-F720 HydrophobicContact CB-CZ 4.19Å; I687-F720 HydrophobicContact CD1-CE1 4.49Å; I687-F720 HydrophobicContact CG2-CE1 3.84Å; I687-F720 HydrophobicContact CG2-CZ 3.79Å; I687-L724 HydrophobicContact CG2-CD1 3.48Å; I687-L724 VanDerWaalsContact CG2-CD1 3.48Å; I687-L724 HydrophobicContact CG2-CD2 3.76Å; I687-L724 HydrophobicContact CG2-CG 4.28Å
688	C	96.7	Very high	94.5	Very high	42 Å²	42	47 Å²	47	28%	0.284	24%	0.239	S	C	.	.	H	α-helix	trans	-60.9	-50.3	178.1	-66	0	0	0	0	111.9	K684 R685 L690 A691 E692	K684-C688 PolarHBondContact O-N 3.23Å; K684-C688 PolarHBondContact O-SG 3.48Å; K684-C688 VanDerWaalsContact O-SG 3.34Å; R685-C688 PolarHBondContact O-N 3.3Å; C688-L690 VanDerWaalsContact C-N 3.34Å; C688-L690 PolarHBondContact O-N 2.84Å; C688-A691 PolarHBondContact O-N 3.34Å; C688-E692 WeakPolarHBondContact O-CB 3.17Å; C688-E692 VanDerWaalsContact O-CG 3.32Å; C688-E692 WeakPolarHBondContact O-CG 2.96Å; C688-E692 PolarHBondContact O-N 3.11Å
689	L	95.9	Very high	95	Very high	17 Å²	17	44.6 Å²	44.6	9%	0.089	23%	0.229	C	C	.	.	H	α-helix	trans	-56.7	-47.5	-180	174.9	65.1	0	0	0	111.5	E647 W650 R685 E692 R693	E647-L689 HydrophobicContact CB-CD2 4.08Å; E647-L689 HydrophobicContact CG-CD2 4.03Å; W650-L689 HydrophobicContact CB-CD2 3.97Å; W650-L689 HydrophobicContact CG-CD2 4.29Å; R685-L689 WeakPolarHBondContact O-CB 3.01Å; R685-L689 PolarHBondContact O-N 3.36Å; L689-E692 PolarHBondContact O-N 3.12Å; L689-R693 HydrophobicContact CD1-CG 4.11Å; L689-R693 WeakPolarHBondContact O-CB 3.48Å; L689-R693 WeakPolarHBondContact O-CG 3.26Å; L689-R693 PolarHBondContact O-N 3.06Å
690	L	97.5	Very high	95	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-69.7	-34.8	-179.3	-69.6	171.5	0	0	0	111.8	W650 L654 A660 L662 S686 I687 C688 R693 G694 K695 L696	W650-L690 HydrophobicContact CD2-CD1 3.97Å; W650-L690 HydrophobicContact CD2-CD2 4.04Å; W650-L690 HydrophobicContact CD2-CG 4.26Å; W650-L690 HydrophobicContact CE3-CD1 3.98Å; W650-L690 HydrophobicContact CE3-CD2 3.82Å; W650-L690 HydrophobicContact CE3-CG 4.38Å; W650-L690 HydrophobicContact CG-CD2 4.49Å; W650-L690 HydrophobicContact CH2-CD1 3.68Å; W650-L690 HydrophobicContact CZ2-CD1 3.65Å; W650-L690 HydrophobicContact CZ3-CD1 3.84Å; W650-L690 HydrophobicContact CZ3-CD2 4.27Å; L654-L690 HydrophobicContact CD2-CD2 3.91Å; A660-L690 HydrophobicContact CB-CD1 3.69Å; L662-L690 HydrophobicContact CD1-CD1 3.63Å; L662-L690 HydrophobicContact CD2-CD1 4.31Å; L662-L690 HydrophobicContact CG-CD1 4.08Å; S686-L690 VanDerWaalsContact O-CB 3.3Å; S686-L690 WeakPolarHBondContact O-CB 3.46Å; S686-L690 VanDerWaalsContact O-CG 3.26Å; S686-L690 WeakPolarHBondContact O-CG 3.49Å; S686-L690 PolarHBondContact O-N 2.68Å; I687-L690 PolarHBondContact O-N 2.9Å; C688-L690 VanDerWaalsContact C-N 3.34Å; C688-L690 PolarHBondContact O-N 2.84Å; L690-R693 PolarHBondContact O-N 2.75Å; L690-G694 PolarHBondContact O-N 3.29Å; L690-K695 HydrophobicContact CD2-CB 3.99Å; L690-K695 CarbonylContact O-C 3.57Å; L690-K695 WeakPolarHBondContact O-CA 3.3Å; L690-K695 PolarHBondContact O-N 3.5Å; L690-L696 HydrophobicContact CB-CB 3.89Å; L690-L696 HydrophobicContact CB-CD1 4.48Å; L690-L696 PolarHBondContact O-N 2.8Å
691	A	96.5	Very high	95	Very high	18 Å²	18	42.6 Å²	42.6	15%	0.149	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-48.5	173.1	0	0	0	0	0	111.1	I687 C688 R693 G694 L696 L724 V727	I687-A691 VanDerWaalsContact O-CB 3.32Å; I687-A691 WeakPolarHBondContact O-CB 3.41Å; I687-A691 PolarHBondContact O-N 3.43Å; C688-A691 PolarHBondContact O-N 3.34Å; A691-R693 VanDerWaalsContact C-N 3.28Å; A691-R693 PolarHBondContact O-N 3.44Å; A691-G694 PolarHBondContact O-N 2.99Å; A691-L696 HydrophobicContact CB-CB 4.28Å; A691-L696 HydrophobicContact CB-CD2 4.04Å; A691-L724 HydrophobicContact CB-CB 4.05Å; A691-L724 HydrophobicContact CB-CD2 4.02Å; A691-V727 HydrophobicContact CB-CG2 4.25Å
692	E	95.2	Very high	94.8	Very high	157 Å²	157	38.1 Å²	38.1	73%	0.734	20%	0.197	S	C	*	.	H	α-helix	trans	-59.1	-37.4	177	-73.6	172.5	-169.4	0	0	112.6	C688 L689 G694	C688-E692 WeakPolarHBondContact O-CB 3.17Å; C688-E692 VanDerWaalsContact O-CG 3.32Å; C688-E692 WeakPolarHBondContact O-CG 2.96Å; C688-E692 PolarHBondContact O-N 3.11Å; L689-E692 PolarHBondContact O-N 3.12Å; E692-G694 VanDerWaalsContact C-N 3.26Å; E692-G694 PolarHBondContact O-N 3.37Å
693	R	94.8	Very high	94.7	Very high	122 Å²	122	36.6 Å²	36.6	46%	0.46	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-1.2	176.8	-62.2	-70.4	179.8	87.5	3.7	113.3	E651 L654 L689 L690 A691 K695	E651-R693 IonicContact OE1-NH2 3.31Å; L654-R693 HydrophobicContact CD1-CG 4.17Å; L654-R693 VanDerWaalsContact CD1-NH1 3.25Å; L654-R693 HydrophobicContact CD2-CB 4.28Å; L689-R693 HydrophobicContact CD1-CG 4.11Å; L689-R693 WeakPolarHBondContact O-CB 3.48Å; L689-R693 WeakPolarHBondContact O-CG 3.26Å; L689-R693 PolarHBondContact O-N 3.06Å; L690-R693 PolarHBondContact O-N 2.75Å; A691-R693 VanDerWaalsContact C-N 3.28Å; A691-R693 PolarHBondContact O-N 3.44Å; R693-K695 VanDerWaalsContact C-N 3.28Å; R693-K695 HydrophobicContact CB-CB 4.5Å; R693-K695 HydrophobicContact CB-CG 4.29Å; R693-K695 WeakPolarHBondContact O-CG 3.36Å; R693-K695 PolarHBondContact O-N 2.93Å
694	G	95	Very high	94.5	Very high	65 Å²	65	36.6 Å²	36.6	67%	0.67	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.2	28.7	-176.6	0	0	0	0	0	113.5	L690 A691 E692	L690-G694 PolarHBondContact O-N 3.29Å; A691-G694 PolarHBondContact O-N 2.99Å; E692-G694 VanDerWaalsContact C-N 3.26Å; E692-G694 PolarHBondContact O-N 3.37Å
695	K	96.5	Very high	94	Very high	56 Å²	56	36 Å²	36	24%	0.243	19%	0.191	C	C	.	.			trans	-120.8	2	-173.8	-66.4	-70.5	-174.1	170.2	0	113.4	L654 C657 D658 G659 A660 L690 R693 A697	L654-K695 HydrophobicContact CD2-CB 3.82Å; L654-K695 HydrophobicContact CD2-CG 3.58Å; C657-K695 PolarHBondContact O-NZ 3.43Å; D658-K695 VanDerWaalsContact O-CD 3.26Å; D658-K695 WeakPolarHBondContact O-CD 3.13Å; G659-K695 CarbonylContact C-O 3.56Å; G659-K695 WeakPolarHBondContact CA-O 3.38Å; A660-K695 PolarHBondContact N-O 3.03Å; L690-K695 HydrophobicContact CD2-CB 3.99Å; L690-K695 CarbonylContact O-C 3.57Å; L690-K695 WeakPolarHBondContact O-CA 3.3Å; L690-K695 PolarHBondContact O-N 3.5Å; R693-K695 VanDerWaalsContact C-N 3.28Å; R693-K695 HydrophobicContact CB-CB 4.5Å; R693-K695 HydrophobicContact CB-CG 4.29Å; R693-K695 WeakPolarHBondContact O-CG 3.36Å; R693-K695 PolarHBondContact O-N 2.93Å; K695-A697 PolarHBondContact O-N 2.79Å
696	L	96.7	Very high	93.7	Very high	11 Å²	11	33.2 Å²	33.2	6%	0.058	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	97.9	168.2	-174	61.3	0	0	0	109.3	L662 I687 L690 A691 L724 V727	L662-L696 HydrophobicContact CB-CD1 3.99Å; L662-L696 HydrophobicContact CD1-CD1 4.06Å; L662-L696 HydrophobicContact CG-CD1 3.81Å; I687-L696 HydrophobicContact CG2-CD2 3.76Å; L690-L696 HydrophobicContact CB-CB 3.89Å; L690-L696 HydrophobicContact CB-CD1 4.48Å; L690-L696 PolarHBondContact O-N 2.8Å; A691-L696 HydrophobicContact CB-CB 4.28Å; A691-L696 HydrophobicContact CB-CD2 4.04Å; L696-L724 HydrophobicContact CD2-CD1 4.27Å; L696-V727 HydrophobicContact CB-CG1 4.46Å; L696-V727 HydrophobicContact CB-CG2 4.39Å; L696-V727 HydrophobicContact CD2-CB 4.49Å; L696-V727 HydrophobicContact CD2-CG1 3.7Å; L696-V727 HydrophobicContact CD2-CG2 4.15Å; L696-V727 HydrophobicContact CG-CG1 3.78Å; L696-V727 HydrophobicContact CG-CG2 4.46Å
697	A	93.6	Very high	93.5	Very high	36 Å²	36	36.8 Å²	36.8	30%	0.298	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	-35.7	-175.9	0	0	0	0	0	112.5	L638 A660 M661 K695	L638-A697 HydrophobicContact CD2-CB 4.41Å; A660-A697 PolarHBondContact O-N 2.85Å; M661-A697 HydrophobicContact CG-CB 4.2Å; K695-A697 PolarHBondContact O-N 2.79Å
698	E	93.1	Very high	93.1	Very high	16 Å²	16	37.7 Å²	37.7	8%	0.075	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	133.3	178.1	-168.2	175.7	70.4	0	0	109.4	M661 L662 R700 P728 R730	M661-E698 WeakPolarHBondContact CA-O 3.45Å; M661-E698 HydrophobicContact CB-CB 4.28Å; M661-E698 HydrophobicContact CG-CB 3.94Å; L662-E698 PolarHBondContact N-O 3.11Å; E698-R700 HydrophobicContact CG-CG 4.15Å; E698-R700 IonicContact OE1-CZ 2.57Å; E698-R700 IonicContact OE1-NE 3.3Å; E698-R700 PolarHBondContact OE1-NE 2.8Å; E698-R700 IonicContact OE1-NH2 2.69Å; E698-R700 PolarHBondContact OE1-NH2 3.37Å; E698-P728 WeakPolarHBondContact CA-O 3.33Å; E698-R730 VanDerWaalsContact CD-NE 3.32Å; E698-R730 HydrophobicContact CG-CB 4.12Å; E698-R730 IonicContact OE1-CZ 2.8Å; E698-R730 IonicContact OE1-NE 2.94Å; E698-R730 PolarHBondContact OE1-NE 2.97Å; E698-R730 IonicContact OE1-NH2 3.63Å; E698-R730 IonicContact OE2-CZ 3.11Å; E698-R730 IonicContact OE2-NE 3.82Å; E698-R730 PolarHBondContact OE2-NE 3.2Å; E698-R730 IonicContact OE2-NH2 3.65Å; E698-R730 PolarHBondContact OE2-NH2 3.32Å
699	L	95.2	Very high	93	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.8	165.3	175.2	63.4	0	0	0	108.8	L664 I687 L701 I721 L724 V727 P728 V729 R730	L664-L699 HydrophobicContact CB-CD1 4.26Å; I687-L699 HydrophobicContact CD1-CD1 3.67Å; I687-L699 HydrophobicContact CG1-CD1 4.11Å; I687-L699 HydrophobicContact CG2-CD1 4.35Å; L699-L701 HydrophobicContact CG-CD2 4.48Å; L699-I721 HydrophobicContact CD2-CG1 4.13Å; L699-L724 HydrophobicContact CD2-CD1 3.76Å; L699-V727 HydrophobicContact CB-CG1 4.21Å; L699-P728 PolarHBondContact N-O 3.31Å; L699-V729 HydrophobicContact CB-CG2 4.41Å; L699-V729 HydrophobicContact CD2-CG2 4.4Å; L699-V729 CarbonylContact O-C 3.53Å; L699-V729 WeakPolarHBondContact O-CA 3.24Å; L699-R730 PolarHBondContact O-N 2.83Å
700	R	93.2	Very high	92.7	Very high	16 Å²	16	35.7 Å²	35.7	6%	0.06	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.7	-177.1	-65.4	170.4	176.8	179.9	-3.5	110.5	D640 M661 L662 D663 L664 E698 R730	D640-R700 IonicContact OD1-CZ 2.68Å; D640-R700 IonicContact OD1-NH1 3.17Å; D640-R700 PolarHBondContact OD1-NH1 3.11Å; D640-R700 IonicContact OD2-CZ 2.76Å; D640-R700 IonicContact OD2-NH1 2.78Å; D640-R700 PolarHBondContact OD2-NH1 3.24Å; M661-R700 PolarHBondContact SD-NH2 3.17Å; L662-R700 PolarHBondContact O-N 2.84Å; D663-R700 WeakPolarHBondContact CA-O 3.47Å; D663-R700 WeakPolarHBondContact OD1-CB 3.36Å; D663-R700 WeakPolarHBondContact OD1-CD 3.2Å; L664-R700 PolarHBondContact N-O 2.9Å; E698-R700 HydrophobicContact CG-CG 4.15Å; E698-R700 IonicContact OE1-CZ 2.57Å; E698-R700 IonicContact OE1-NE 3.3Å; E698-R700 PolarHBondContact OE1-NE 2.8Å; E698-R700 IonicContact OE1-NH2 2.69Å; E698-R700 PolarHBondContact OE1-NH2 3.37Å; R700-R730 WeakPolarHBondContact CA-O 3.32Å; R700-R730 HydrophobicContact CG-CB 4.39Å
701	L	92.2	Very high	92.2	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.7	175.8	-58.5	-179.6	0	0	0	108	L664 L699 Y710 L717 I721 V729 R730 L731 N732	L664-L701 HydrophobicContact CB-CD2 3.85Å; L664-L701 HydrophobicContact CD2-CD2 4.07Å; L664-L701 HydrophobicContact CG-CD2 4.32Å; L699-L701 HydrophobicContact CG-CD2 4.48Å; L701-Y710 HydrophobicContact CB-CE2 4.18Å; L701-Y710 HydrophobicContact CD2-CE1 4.21Å; L701-L717 HydrophobicContact CD1-CD1 4.45Å; L701-L717 HydrophobicContact CD1-CD2 4.26Å; L701-I721 HydrophobicContact CD1-CD1 4.06Å; L701-V729 HydrophobicContact CD1-CG1 3.93Å; L701-V729 HydrophobicContact CG-CG1 4.19Å; L701-R730 PolarHBondContact N-O 3.43Å; L701-L731 HydrophobicContact CB-CD2 3.67Å; L701-L731 HydrophobicContact CB-CG 4.45Å; L701-L731 HydrophobicContact CD1-CD2 4.05Å; L701-L731 HydrophobicContact CG-CD2 4.47Å; L701-L731 CarbonylContact O-C 3.37Å; L701-L731 WeakPolarHBondContact O-CA 3.37Å; L701-N732 PolarHBondContact O-N 3.48Å
702	L	87.7	Confident	91.9	Very high	21 Å²	21	45 Å²	45	11%	0.11	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.3	-179.5	180	70.9	0	0	0	109.9	N526 I704 V708 Y710 N732 F734	N526-L702 WeakPolarHBondContact ND2-CD2 3.41Å; L702-I704 HydrophobicContact CD2-CD1 3.93Å; L702-I704 HydrophobicContact CD2-CG1 3.97Å; L702-I704 HydrophobicContact CG-CD1 4.42Å; L702-I704 HydrophobicContact CG-CG1 3.95Å; L702-I704 PolarHBondContact O-N 2.91Å; L702-V708 WeakPolarHBondContact O-CG1 3.49Å; L702-Y710 PolarHBondContact N-OH 2.86Å; L702-Y710 WeakPolarHBondContact O-CE2 3.49Å; L702-N732 HydrophobicContact CD1-CB 3.75Å; L702-F734 HydrophobicContact CD1-CB 4.41Å
703	V	88.4	Confident	91.8	Very high	8 Å²	8	40.3 Å²	40.3	5%	0.048	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	113.2	178.8	-176.2	0	0	0	0	109.3	L731 N732 F734 A749 D753 V754 P757	V703-L731 HydrophobicContact CG2-CD2 3.62Å; V703-N732 PolarHBondContact N-O 2.96Å; V703-F734 VanDerWaalsContact O-CB 3.23Å; V703-F734 WeakPolarHBondContact O-CB 3.38Å; V703-F734 PolarHBondContact O-N 3Å; V703-A749 WeakPolarHBondContact O-CB 3.21Å; V703-D753 HydrophobicContact CG1-CB 4.33Å; V703-V754 HydrophobicContact CB-CG2 4.24Å; V703-V754 HydrophobicContact CG1-CG2 4.39Å; V703-V754 HydrophobicContact CG2-CG2 4.49Å; V703-P757 HydrophobicContact CG2-CG 4.15Å
704	I	90.1	Very high	91.5	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	22%	0.218	C	C	.	.			trans	-117.8	112.3	174.8	-45.1	176.7	0	0	0	108.2	N526 L702 G706 Q707 V708 F734 W746	N526-I704 HydrophobicContact CB-CD1 3.84Å; L702-I704 HydrophobicContact CD2-CD1 3.93Å; L702-I704 HydrophobicContact CD2-CG1 3.97Å; L702-I704 HydrophobicContact CG-CD1 4.42Å; L702-I704 HydrophobicContact CG-CG1 3.95Å; L702-I704 PolarHBondContact O-N 2.91Å; I704-G706 PolarHBondContact O-N 3.41Å; I704-Q707 HydrophobicContact CB-CB 3.92Å; I704-Q707 HydrophobicContact CB-CG 4.45Å; I704-Q707 HydrophobicContact CG2-CB 3.67Å; I704-Q707 HydrophobicContact CG2-CG 3.66Å; I704-Q707 PolarHBondContact O-N 2.89Å; I704-V708 HydrophobicContact CB-CG1 4.12Å; I704-V708 HydrophobicContact CD1-CG1 4.29Å; I704-V708 HydrophobicContact CG1-CG1 4.07Å; I704-V708 PolarHBondContact O-N 3.24Å; I704-F734 HydrophobicContact CB-CB 4.17Å; I704-F734 HydrophobicContact CB-CG 4.36Å; I704-F734 HydrophobicContact CD1-CD2 4.43Å; I704-F734 HydrophobicContact CG1-CB 3.85Å; I704-F734 HydrophobicContact CG1-CD2 4.21Å; I704-F734 HydrophobicContact CG1-CG 4.07Å; I704-F734 HydrophobicContact CG2-CB 4.18Å; I704-F734 HydrophobicContact CG2-CD1 3.86Å; I704-F734 HydrophobicContact CG2-CD2 4.44Å; I704-F734 HydrophobicContact CG2-CE1 4.39Å; I704-F734 HydrophobicContact CG2-CG 3.9Å; I704-W746 HydrophobicContact CD1-CZ3 4.15Å; I704-W746 HydrophobicContact CG2-CE3 3.75Å; I704-W746 HydrophobicContact CG2-CZ3 4.26Å
705	P	87.2	Confident	91.2	Very high	28 Å²	28	40.4 Å²	40.4	18%	0.182	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	124	-176	-26.9	34.6	0	0	0	112.2	Q707 A749 D753	P705-Q707 PolarHBondContact O-N 3.25Å; P705-A749 HydrophobicContact CG-CB 3.99Å; P705-D753 HydrophobicContact CG-CB 4.15Å
706	G	88.5	Confident	91	Very high	79 Å²	79	42 Å²	42	81%	0.814	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.3	1.3	178.7	0	0	0	0	0	116.1	I704	I704-G706 PolarHBondContact O-N 3.41Å
707	Q	91.1	Very high	90.8	Very high	76 Å²	76	41.5 Å²	41.5	36%	0.355	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-24.7	-177.8	-55.7	-61.8	-44.6	0	0	113.7	C671 L675 I704 P705 W746	C671-Q707 PolarHBondContact SG-O 3.36Å; L675-Q707 HydrophobicContact CD2-CB 4.15Å; I704-Q707 HydrophobicContact CB-CB 3.92Å; I704-Q707 HydrophobicContact CB-CG 4.45Å; I704-Q707 HydrophobicContact CG2-CB 3.67Å; I704-Q707 HydrophobicContact CG2-CG 3.66Å; I704-Q707 PolarHBondContact O-N 2.89Å; P705-Q707 PolarHBondContact O-N 3.25Å; Q707-W746 HydrophobicContact CB-CZ3 4.48Å; Q707-W746 HydrophobicContact CG-CD2 3.85Å; Q707-W746 HydrophobicContact CG-CE3 3.88Å; Q707-W746 HydrophobicContact CG-CG 4.35Å; Q707-W746 HydrophobicContact CG-CH2 4.43Å; Q707-W746 HydrophobicContact CG-CZ2 4.45Å; Q707-W746 HydrophobicContact CG-CZ3 4.15Å
708	V	90.9	Very high	90.6	Very high	18 Å²	18	41 Å²	41	11%	0.109	22%	0.224	C	C	.	.			trans	-102.9	154.7	175	-61.9	0	0	0	0	111.8	K665 L675 L702 I704 Y710	K665-V708 WeakPolarHBondContact O-CG1 3.4Å; L675-V708 HydrophobicContact CD1-CG1 3.89Å; L702-V708 WeakPolarHBondContact O-CG1 3.49Å; I704-V708 HydrophobicContact CB-CG1 4.12Å; I704-V708 HydrophobicContact CD1-CG1 4.29Å; I704-V708 HydrophobicContact CG1-CG1 4.07Å; I704-V708 PolarHBondContact O-N 3.24Å; V708-Y710 HydrophobicContact CB-CD2 4.09Å; V708-Y710 HydrophobicContact CB-CE2 4.03Å; V708-Y710 HydrophobicContact CG1-CE2 4.31Å; V708-Y710 HydrophobicContact CG2-CD2 3.68Å; V708-Y710 HydrophobicContact CG2-CE2 3.87Å; V708-Y710 HydrophobicContact CG2-CG 4.47Å
709	D	92.8	Very high	90.5	Very high	15 Å²	15	43.2 Å²	43.2	8%	0.08	25%	0.246	C	C	.	.			trans	-109.2	16.3	-170.7	64.6	-9.4	0	0	0	114.4	W667 G668 C671 L711 Q712 H713	W667-D709 PolarHBondContact N-OD1 2.82Å; G668-D709 WeakPolarHBondContact CA-OD2 3.43Å; G668-D709 PolarHBondContact N-OD1 3.23Å; G668-D709 PolarHBondContact N-OD2 3.13Å; C671-D709 HydrophobicContact CB-CB 4.19Å; C671-D709 VanDerWaalsContact CB-OD2 3.28Å; C671-D709 WeakPolarHBondContact CB-OD2 3.33Å; D709-L711 VanDerWaalsContact C-N 3.31Å; D709-L711 PolarHBondContact O-N 2.9Å; D709-Q712 PolarHBondContact O-N 2.97Å; D709-Q712 PolarHBondContact O-OE1 3.4Å; D709-H713 PolarHBondContact O-CD2 3.25Å; D709-H713 PolarHBondContact O-N 3.3Å; D709-H713 IonicContact OD2-CD2 3.99Å; D709-H713 IonicContact OD2-NE2 3.3Å
710	Y	91.2	Very high	90.4	Very high	3 Å²	3	45 Å²	45	1%	0.012	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-35.2	-175.1	-57.8	-46.9	0	0	0	113.9	L664 W667 L701 L702 V708 H713 I714 L717	L664-Y710 PolarHBondContact O-OH 2.82Å; W667-Y710 HydrophobicContact CB-CD1 4.29Å; L701-Y710 HydrophobicContact CB-CE2 4.18Å; L701-Y710 HydrophobicContact CD2-CE1 4.21Å; L702-Y710 PolarHBondContact N-OH 2.86Å; L702-Y710 WeakPolarHBondContact O-CE2 3.49Å; V708-Y710 HydrophobicContact CB-CD2 4.09Å; V708-Y710 HydrophobicContact CB-CE2 4.03Å; V708-Y710 HydrophobicContact CG1-CE2 4.31Å; V708-Y710 HydrophobicContact CG2-CD2 3.68Å; V708-Y710 HydrophobicContact CG2-CE2 3.87Å; V708-Y710 HydrophobicContact CG2-CG 4.47Å; Y710-H713 CarbonylContact O-C 3.55Å; Y710-H713 PolarHBondContact O-N 3.41Å; Y710-I714 VanDerWaalsContact O-CA 3.26Å; Y710-I714 WeakPolarHBondContact O-CA 3.46Å; Y710-I714 PolarHBondContact O-N 3.42Å; Y710-I714 VanDerWaalsContact O-N 3.09Å; Y710-L717 HydrophobicContact CD1-CD2 3.78Å; Y710-L717 HydrophobicContact CG-CD2 3.99Å
711	L	86.4	Confident	90.4	Very high	81 Å²	81	44.5 Å²	44.5	42%	0.424	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-32.9	-179.7	-72.9	177.3	0	0	0	111.8	D709 H713 P756 P757	D709-L711 VanDerWaalsContact C-N 3.31Å; D709-L711 PolarHBondContact O-N 2.9Å; L711-H713 PolarHBondContact O-N 3.45Å; L711-P756 HydrophobicContact CD1-CB 4.41Å; L711-P756 HydrophobicContact CD2-CB 4Å; L711-P757 HydrophobicContact CD2-CB 4.16Å
712	Q	90.9	Very high	90.3	Very high	134 Å²	134	51.5 Å²	51.5	63%	0.626	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-28.7	176.4	-61.9	84.6	-26.2	0	0	111.2	D709	D709-Q712 PolarHBondContact O-N 2.97Å; D709-Q712 PolarHBondContact O-OE1 3.4Å
713	H	91.5	Very high	90.5	Very high	58 Å²	58	53.7 Å²	53.7	27%	0.269	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	35.4	-179.5	-65.2	-72.1	0	0	0	113.2	W667 D709 Y710 L711 E715 E716 L717	W667-H713 HydrophobicContact CB-CB 4.14Å; W667-H713 AromaticContact CD1-CD2 3.72Å; W667-H713 AromaticContact CD1-CG 3.3Å; W667-H713 AromaticContact CD1-ND1 3.87Å; W667-H713 HydrophobicContact CG-CB 3.71Å; W667-H713 AromaticContact NE1-CG 3.97Å; D709-H713 PolarHBondContact O-CD2 3.25Å; D709-H713 PolarHBondContact O-N 3.3Å; D709-H713 IonicContact OD2-CD2 3.99Å; D709-H713 IonicContact OD2-NE2 3.3Å; Y710-H713 CarbonylContact O-C 3.55Å; Y710-H713 PolarHBondContact O-N 3.41Å; L711-H713 PolarHBondContact O-N 3.45Å; H713-E715 VanDerWaalsContact C-N 3.3Å; H713-E715 PolarHBondContact O-N 3.38Å; H713-E716 VanDerWaalsContact C-OE2 3.22Å; H713-E716 VanDerWaalsContact CA-OE2 3.27Å; H713-E716 WeakPolarHBondContact CA-OE2 3.49Å; H713-E716 IonicContact ND1-OE1 3.93Å; H713-E716 PolarHBondContact ND1-OE1 2.53Å; H713-E716 PolarHBondContact O-N 2.82Å; H713-L717 VanDerWaalsContact O-CB 3.28Å; H713-L717 WeakPolarHBondContact O-CB 3.38Å; H713-L717 PolarHBondContact O-N 2.75Å
714	I	88.8	Confident	90.7	Very high	26 Å²	26	54.1 Å²	54.1	13%	0.133	31%	0.312	C	S	.	.	H	α-helix	trans	-65.4	-34.7	-169.3	-167.1	65	0	0	0	112.7	Y710 A718 Q760 T761	Y710-I714 VanDerWaalsContact O-CA 3.26Å; Y710-I714 WeakPolarHBondContact O-CA 3.46Å; Y710-I714 PolarHBondContact O-N 3.42Å; Y710-I714 VanDerWaalsContact O-N 3.09Å; I714-A718 WeakPolarHBondContact O-CB 3.42Å; I714-A718 PolarHBondContact O-N 3.09Å; I714-Q760 HydrophobicContact CD1-CB 3.88Å; I714-Q760 HydrophobicContact CG1-CB 3.54Å; I714-T761 HydrophobicContact CD1-CG2 3.45Å; I714-T761 VanDerWaalsContact CD1-CG2 3.45Å
715	E	89.1	Confident	90.7	Very high	164 Å²	164	55.5 Å²	55.5	77%	0.766	33%	0.326	S	S	*	.	H	α-helix	trans	-68.5	-46.1	-179.6	-64.6	-172.6	174.9	0	0	110.9	H713 A718 A719	H713-E715 VanDerWaalsContact C-N 3.3Å; H713-E715 PolarHBondContact O-N 3.38Å; E715-A718 PolarHBondContact O-N 2.83Å; E715-A719 WeakPolarHBondContact O-CB 3.32Å; E715-A719 PolarHBondContact O-N 2.75Å
716	E	92.5	Very high	90.8	Very high	88 Å²	88	58.6 Å²	58.6	41%	0.411	34%	0.341	S	S	.	.	H	α-helix	trans	-67.9	-41.1	178.6	-54.7	98.5	128.5	0	0	111.4	W667 H713 A719 F720	W667-E716 HydrophobicContact CZ2-CB 3.57Å; H713-E716 VanDerWaalsContact C-OE2 3.22Å; H713-E716 VanDerWaalsContact CA-OE2 3.27Å; H713-E716 WeakPolarHBondContact CA-OE2 3.49Å; H713-E716 IonicContact ND1-OE1 3.93Å; H713-E716 PolarHBondContact ND1-OE1 2.53Å; H713-E716 PolarHBondContact O-N 2.82Å; E716-A719 PolarHBondContact O-N 3.47Å; E716-F720 VanDerWaalsContact O-CB 3.31Å; E716-F720 WeakPolarHBondContact O-CB 3.43Å; E716-F720 PolarHBondContact O-N 3.01Å
717	L	92	Very high	90.8	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-63.4	-44.6	175.7	178	62.5	0	0	0	111.6	L664 W667 L701 Y710 H713 F720 I721 T761	L664-L717 HydrophobicContact CD2-CD1 4.29Å; W667-L717 HydrophobicContact CD2-CB 4.36Å; W667-L717 HydrophobicContact CE3-CB 4.17Å; W667-L717 HydrophobicContact CE3-CD1 3.68Å; W667-L717 HydrophobicContact CZ3-CD1 4.06Å; L701-L717 HydrophobicContact CD1-CD1 4.45Å; L701-L717 HydrophobicContact CD1-CD2 4.26Å; Y710-L717 HydrophobicContact CD1-CD2 3.78Å; Y710-L717 HydrophobicContact CG-CD2 3.99Å; H713-L717 VanDerWaalsContact O-CB 3.28Å; H713-L717 WeakPolarHBondContact O-CB 3.38Å; H713-L717 PolarHBondContact O-N 2.75Å; L717-F720 PolarHBondContact O-N 3.32Å; L717-I721 HydrophobicContact CD1-CD1 3.91Å; L717-I721 HydrophobicContact CD1-CG1 4.24Å; L717-I721 HydrophobicContact CG-CD1 3.91Å; L717-I721 VanDerWaalsContact O-CG1 3.32Å; L717-I721 WeakPolarHBondContact O-CG1 3.34Å; L717-I721 PolarHBondContact O-N 3.04Å; L717-T761 HydrophobicContact CD2-CG2 3.79Å; L717-T761 HydrophobicContact CG-CG2 3.96Å
718	A	89.9	Confident	90.8	Very high	25 Å²	25	53.3 Å²	53.3	21%	0.207	30%	0.299	C	S	.	.	H	α-helix	trans	-64.2	-42.3	177.7	0	0	0	0	0	111.7	I714 E715 F720 K722	I714-A718 WeakPolarHBondContact O-CB 3.42Å; I714-A718 PolarHBondContact O-N 3.09Å; E715-A718 PolarHBondContact O-N 2.83Å; A718-F720 VanDerWaalsContact C-N 3.35Å; A718-K722 VanDerWaalsContact O-CB 3.3Å; A718-K722 WeakPolarHBondContact O-CB 3.33Å; A718-K722 PolarHBondContact O-N 3.19Å
719	A	91	Very high	90.7	Very high	64 Å²	64	52.9 Å²	52.9	53%	0.529	30%	0.296	S	S	.	.	H	α-helix	trans	-62	-42.9	175.3	0	0	0	0	0	111.8	E715 E716 K722 G723	E715-A719 WeakPolarHBondContact O-CB 3.32Å; E715-A719 PolarHBondContact O-N 2.75Å; E716-A719 PolarHBondContact O-N 3.47Å; A719-K722 PolarHBondContact O-N 3.28Å; A719-G723 PolarHBondContact O-N 3.44Å
720	F	93.7	Very high	90.5	Very high	36 Å²	36	54.8 Å²	54.8	16%	0.158	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-52.4	176.8	179.2	-99.8	0	0	0	112	W667 K684 I687 E716 L717 A718 K722 G723 L724	W667-F720 HydrophobicContact CH2-CB 3.44Å; W667-F720 VanDerWaalsContact CH2-CB 3.44Å; W667-F720 HydrophobicContact CH2-CD1 4.3Å; W667-F720 AromaticContact CH2-CD2 3.94Å; W667-F720 HydrophobicContact CH2-CD2 3.94Å; W667-F720 AromaticContact CH2-CG 3.65Å; W667-F720 HydrophobicContact CH2-CG 3.65Å; W667-F720 HydrophobicContact CZ3-CB 3.63Å; W667-F720 AromaticContact CZ3-CD1 3.74Å; W667-F720 HydrophobicContact CZ3-CD1 3.74Å; W667-F720 HydrophobicContact CZ3-CD2 4.15Å; W667-F720 HydrophobicContact CZ3-CE1 4.44Å; W667-F720 AromaticContact CZ3-CG 3.57Å; W667-F720 HydrophobicContact CZ3-CG 3.57Å; K684-F720 HydrophobicContact CB-CE2 4.28Å; K684-F720 HydrophobicContact CB-CZ 4.18Å; K684-F720 HydrophobicContact CG-CE2 4.44Å; K684-F720 HydrophobicContact CG-CZ 4.2Å; I687-F720 HydrophobicContact CB-CZ 4.19Å; I687-F720 HydrophobicContact CD1-CE1 4.49Å; I687-F720 HydrophobicContact CG2-CE1 3.84Å; I687-F720 HydrophobicContact CG2-CZ 3.79Å; E716-F720 VanDerWaalsContact O-CB 3.31Å; E716-F720 WeakPolarHBondContact O-CB 3.43Å; E716-F720 PolarHBondContact O-N 3.01Å; L717-F720 PolarHBondContact O-N 3.32Å; A718-F720 VanDerWaalsContact C-N 3.35Å; F720-K722 VanDerWaalsContact C-N 3.3Å; F720-K722 PolarHBondContact O-N 3.05Å; F720-G723 WeakPolarHBondContact O-CA 3.38Å; F720-G723 PolarHBondContact O-N 2.88Å; F720-L724 HydrophobicContact CD1-CD1 4.43Å; F720-L724 HydrophobicContact CE1-CD1 4.08Å; F720-L724 HydrophobicContact CE1-CD2 4.44Å; F720-L724 HydrophobicContact CZ-CD2 4.31Å; F720-L724 WeakPolarHBondContact O-CG 3.32Å; F720-L724 PolarHBondContact O-N 3.4Å
721	I	92.5	Very high	90.3	Very high	6 Å²	6	55 Å²	55	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-57.8	-44.1	178.4	-70.3	167.4	0	0	0	110.9	L699 L701 L717 G723 L724 V729 T761 V797	L699-I721 HydrophobicContact CD2-CG1 4.13Å; L701-I721 HydrophobicContact CD1-CD1 4.06Å; L717-I721 HydrophobicContact CD1-CD1 3.91Å; L717-I721 HydrophobicContact CD1-CG1 4.24Å; L717-I721 HydrophobicContact CG-CD1 3.91Å; L717-I721 VanDerWaalsContact O-CG1 3.32Å; L717-I721 WeakPolarHBondContact O-CG1 3.34Å; L717-I721 PolarHBondContact O-N 3.04Å; I721-G723 PolarHBondContact O-N 3.2Å; I721-L724 WeakPolarHBondContact O-CB 3.45Å; I721-L724 PolarHBondContact O-N 2.94Å; I721-V729 HydrophobicContact CD1-CG1 4.46Å; I721-V729 HydrophobicContact CG2-CG2 3.69Å; I721-T761 HydrophobicContact CD1-CG2 4.11Å; I721-V797 HydrophobicContact CG2-CG2 4.42Å
722	K	90.7	Very high	90.2	Very high	149 Å²	149	53.4 Å²	53.4	65%	0.648	30%	0.295	S	S	*	.	H	α-helix	trans	-61.8	-32.7	177.8	-171.9	179.3	179.7	-176.9	0	112.3	A718 A719 F720 L724	A718-K722 VanDerWaalsContact O-CB 3.3Å; A718-K722 WeakPolarHBondContact O-CB 3.33Å; A718-K722 PolarHBondContact O-N 3.19Å; A719-K722 PolarHBondContact O-N 3.28Å; F720-K722 VanDerWaalsContact C-N 3.3Å; F720-K722 PolarHBondContact O-N 3.05Å; K722-L724 VanDerWaalsContact C-N 3.26Å; K722-L724 PolarHBondContact O-N 3.31Å
723	G	91.9	Very high	90	Very high	67 Å²	67	48 Å²	48	69%	0.691	27%	0.274	S	S	*	.	H	α-helix	trans	-67.3	-21.5	175.3	0	0	0	0	0	114.3	A719 F720 I721 G725	A719-G723 PolarHBondContact O-N 3.44Å; F720-G723 WeakPolarHBondContact O-CA 3.38Å; F720-G723 PolarHBondContact O-N 2.88Å; I721-G723 PolarHBondContact O-N 3.2Å; G723-G725 VanDerWaalsContact C-N 3.31Å; G723-G725 PolarHBondContact O-N 3.41Å
724	L	92.8	Very high	89.9	Confident	17 Å²	17	45.2 Å²	45.2	9%	0.089	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-12.2	-179.5	-54.4	178.8	0	0	0	113.7	I687 A691 L696 L699 F720 I721 K722 V727	I687-L724 HydrophobicContact CG2-CD1 3.48Å; I687-L724 VanDerWaalsContact CG2-CD1 3.48Å; I687-L724 HydrophobicContact CG2-CD2 3.76Å; I687-L724 HydrophobicContact CG2-CG 4.28Å; A691-L724 HydrophobicContact CB-CB 4.05Å; A691-L724 HydrophobicContact CB-CD2 4.02Å; L696-L724 HydrophobicContact CD2-CD1 4.27Å; L699-L724 HydrophobicContact CD2-CD1 3.76Å; F720-L724 HydrophobicContact CD1-CD1 4.43Å; F720-L724 HydrophobicContact CE1-CD1 4.08Å; F720-L724 HydrophobicContact CE1-CD2 4.44Å; F720-L724 HydrophobicContact CZ-CD2 4.31Å; F720-L724 WeakPolarHBondContact O-CG 3.32Å; F720-L724 PolarHBondContact O-N 3.4Å; I721-L724 WeakPolarHBondContact O-CB 3.45Å; I721-L724 PolarHBondContact O-N 2.94Å; K722-L724 VanDerWaalsContact C-N 3.26Å; K722-L724 PolarHBondContact O-N 3.31Å; L724-V727 HydrophobicContact CB-CB 4.46Å; L724-V727 HydrophobicContact CB-CG2 4.15Å
725	G	89.7	Confident	89.7	Confident	30 Å²	30	47.5 Å²	47.5	31%	0.309	27%	0.271	S	S	.	.			trans	81.8	-146.3	-176.7	0	0	0	0	0	113.6	G723 V727	G723-G725 VanDerWaalsContact C-N 3.31Å; G723-G725 PolarHBondContact O-N 3.41Å; G725-V727 PolarHBondContact O-N 3.2Å
726	D	88.6	Confident	89.4	Confident	94 Å²	94	40.5 Å²	40.5	50%	0.503	24%	0.241	S	C	.	.	S	Bend	trans	-82.5	64.1	-177.3	-169.8	25	0	0	0	111.5
727	V	89.6	Confident	88.6	Confident	11 Å²	11	44.6 Å²	44.6	7%	0.067	26%	0.26	C	S	.	.			trans	-101.8	128.3	175.6	174.8	0	0	0	0	109.2	A691 L696 L699 L724 G725 V729	A691-V727 HydrophobicContact CB-CG2 4.25Å; L696-V727 HydrophobicContact CB-CG1 4.46Å; L696-V727 HydrophobicContact CB-CG2 4.39Å; L696-V727 HydrophobicContact CD2-CB 4.49Å; L696-V727 HydrophobicContact CD2-CG1 3.7Å; L696-V727 HydrophobicContact CD2-CG2 4.15Å; L696-V727 HydrophobicContact CG-CG1 3.78Å; L696-V727 HydrophobicContact CG-CG2 4.46Å; L699-V727 HydrophobicContact CB-CG1 4.21Å; L724-V727 HydrophobicContact CB-CB 4.46Å; L724-V727 HydrophobicContact CB-CG2 4.15Å; G725-V727 PolarHBondContact O-N 3.2Å; V727-V729 PolarHBondContact O-N 3.14Å
728	P	89.5	Confident	87.6	Confident	32 Å²	32	46.4 Å²	46.4	21%	0.208	28%	0.279	C	S	.	.			trans	-61.8	126	171.6	-21.4	32.9	0	0	0	111.1	E698 L699	E698-P728 WeakPolarHBondContact CA-O 3.33Å; L699-P728 PolarHBondContact N-O 3.31Å
729	V	90.8	Very high	87.1	Confident	10 Å²	10	45.4 Å²	45.4	6%	0.061	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.3	172.7	-174.8	0	0	0	0	109.3	L699 L701 I721 V727	L699-V729 HydrophobicContact CB-CG2 4.41Å; L699-V729 HydrophobicContact CD2-CG2 4.4Å; L699-V729 CarbonylContact O-C 3.53Å; L699-V729 WeakPolarHBondContact O-CA 3.24Å; L701-V729 HydrophobicContact CD1-CG1 3.93Å; L701-V729 HydrophobicContact CG-CG1 4.19Å; I721-V729 HydrophobicContact CD1-CG1 4.46Å; I721-V729 HydrophobicContact CG2-CG2 3.69Å; V727-V729 PolarHBondContact O-N 3.14Å
730	R	87.3	Confident	86.5	Confident	55 Å²	55	44.9 Å²	44.9	21%	0.208	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.4	175.6	-175.7	-178.4	-64.5	-154.1	3.8	109.9	E698 L699 R700 L701 N732	E698-R730 VanDerWaalsContact CD-NE 3.32Å; E698-R730 HydrophobicContact CG-CB 4.12Å; E698-R730 IonicContact OE1-CZ 2.8Å; E698-R730 IonicContact OE1-NE 2.94Å; E698-R730 PolarHBondContact OE1-NE 2.97Å; E698-R730 IonicContact OE1-NH2 3.63Å; E698-R730 IonicContact OE2-CZ 3.11Å; E698-R730 IonicContact OE2-NE 3.82Å; E698-R730 PolarHBondContact OE2-NE 3.2Å; E698-R730 IonicContact OE2-NH2 3.65Å; E698-R730 PolarHBondContact OE2-NH2 3.32Å; L699-R730 PolarHBondContact O-N 2.83Å; R700-R730 WeakPolarHBondContact CA-O 3.32Å; R700-R730 HydrophobicContact CG-CB 4.39Å; L701-R730 PolarHBondContact N-O 3.43Å; R730-N732 WeakPolarHBondContact CD-OD1 3.48Å; R730-N732 WeakPolarHBondContact CG-OD1 3.36Å
731	L	87	Confident	86	Confident	8 Å²	8	46 Å²	46	4%	0.042	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	115.8	168.1	-73.9	154.3	0	0	0	109	L701 V703 V754 P757 A758	L701-L731 HydrophobicContact CB-CD2 3.67Å; L701-L731 HydrophobicContact CB-CG 4.45Å; L701-L731 HydrophobicContact CD1-CD2 4.05Å; L701-L731 HydrophobicContact CG-CD2 4.47Å; L701-L731 CarbonylContact O-C 3.37Å; L701-L731 WeakPolarHBondContact O-CA 3.37Å; V703-L731 HydrophobicContact CG2-CD2 3.62Å; L731-V754 HydrophobicContact CB-CG1 3.85Å; L731-P757 HydrophobicContact CD2-CB 4.46Å; L731-A758 HydrophobicContact CD1-CB 3.4Å; L731-A758 VanDerWaalsContact CD1-CB 3.4Å
732	N	85.6	Confident	85.6	Confident	46 Å²	46	50.5 Å²	50.5	25%	0.246	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	132.3	176.9	-70.9	-31	0	0	0	109.5	L701 L702 V703 R730	L701-N732 PolarHBondContact O-N 3.48Å; L702-N732 HydrophobicContact CD1-CB 3.75Å; V703-N732 PolarHBondContact N-O 2.96Å; R730-N732 WeakPolarHBondContact CD-OD1 3.48Å; R730-N732 WeakPolarHBondContact CG-OD1 3.36Å
733	A	86.1	Confident	85.4	Confident	21 Å²	21	43.4 Å²	43.4	17%	0.174	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	128.4	173	0	0	0	0	0	109.6	H735 A749 V754	A733-H735 PolarHBondContact O-CD2 2.98Å; A733-A749 HydrophobicContact CB-CB 3.92Å; A733-V754 HydrophobicContact CB-CG2 4.02Å
734	F	89	Confident	85.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-67.1	136.2	172	175.8	-105	0	0	0	111.7	N526 L702 V703 I704 A736 V739 A743 W746 A747 S748 A749	N526-F734 HydrophobicContact CB-CD2 4.25Å; N526-F734 HydrophobicContact CB-CE2 3.85Å; L702-F734 HydrophobicContact CD1-CB 4.41Å; V703-F734 VanDerWaalsContact O-CB 3.23Å; V703-F734 WeakPolarHBondContact O-CB 3.38Å; V703-F734 PolarHBondContact O-N 3Å; I704-F734 HydrophobicContact CB-CB 4.17Å; I704-F734 HydrophobicContact CB-CG 4.36Å; I704-F734 HydrophobicContact CD1-CD2 4.43Å; I704-F734 HydrophobicContact CG1-CB 3.85Å; I704-F734 HydrophobicContact CG1-CD2 4.21Å; I704-F734 HydrophobicContact CG1-CG 4.07Å; I704-F734 HydrophobicContact CG2-CB 4.18Å; I704-F734 HydrophobicContact CG2-CD1 3.86Å; I704-F734 HydrophobicContact CG2-CD2 4.44Å; I704-F734 HydrophobicContact CG2-CE1 4.39Å; I704-F734 HydrophobicContact CG2-CG 3.9Å; F734-A736 HydrophobicContact CE1-CB 4.08Å; F734-A736 HydrophobicContact CZ-CB 4.35Å; F734-V739 HydrophobicContact CE2-CG2 3.91Å; F734-V739 HydrophobicContact CZ-CG2 4.22Å; F734-A743 HydrophobicContact CZ-CB 4.4Å; F734-W746 HydrophobicContact CE1-CB 3.87Å; F734-W746 HydrophobicContact CZ-CB 4.4Å; F734-W746 HydrophobicContact CZ-CE3 4.25Å; F734-A747 WeakPolarHBondContact CD1-O 3.45Å; F734-S748 CarbonylContact O-C 3.53Å; F734-S748 WeakPolarHBondContact O-CA 3.37Å; F734-S748 WeakPolarHBondContact O-CB 3.46Å; F734-A749 HydrophobicContact CB-CB 4.46Å; F734-A749 PolarHBondContact O-N 3.41Å
735	H	85.4	Confident	84.9	Confident	73 Å²	73	50.5 Å²	50.5	34%	0.338	29%	0.293	S	S	.	.			trans	-125.9	126.5	170.6	-62.9	-64.4	0	0	0	108.9	H528 A733 H737	H528-H735 PolarHBondContact NE2-O 3.32Å; A733-H735 PolarHBondContact O-CD2 2.98Å; H735-H737 PolarHBondContact O-N 3.17Å
736	A	81.7	Confident	85	Confident	18 Å²	18	50.6 Å²	50.6	15%	0.149	28%	0.284	C	S	.	.			trans	-68.1	-16.9	-179.9	0	0	0	0	0	112.8	F734 G738 V739 S748	F734-A736 HydrophobicContact CE1-CB 4.08Å; F734-A736 HydrophobicContact CZ-CB 4.35Å; A736-G738 PolarHBondContact O-N 2.96Å; A736-V739 PolarHBondContact O-N 2.84Å; A736-S748 PolarHBondContact N-OG 2.86Å
737	H	76.4	Confident	85	Confident	174 Å²	174	49.1 Å²	49.1	81%	0.806	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	125.5	177.7	-170.2	72.9	0	0	0	111.4	H735 V739	H735-H737 PolarHBondContact O-N 3.17Å; H737-V739 VanDerWaalsContact C-N 3.34Å
738	G	70.1	Confident	84.9	Confident	39 Å²	39	51.1 Å²	51.1	40%	0.402	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	-5.7	178.8	0	0	0	0	0	115.4	A736	A736-G738 PolarHBondContact O-N 2.96Å
739	V	81	Confident	84.8	Confident	4 Å²	4	50 Å²	50	2%	0.024	29%	0.293	C	S	.	.			trans	-88.4	149.3	178	-172	0	0	0	0	110.2	K525 H528 F734 A736 H737 A743	K525-V739 WeakPolarHBondContact O-CG1 3.42Å; H528-V739 WeakPolarHBondContact NE2-CG2 3.45Å; F734-V739 HydrophobicContact CE2-CG2 3.91Å; F734-V739 HydrophobicContact CZ-CG2 4.22Å; A736-V739 PolarHBondContact O-N 2.84Å; H737-V739 VanDerWaalsContact C-N 3.34Å; V739-A743 HydrophobicContact CG1-CB 3.61Å
740	Y	77.8	Confident	84.6	Confident	53 Å²	53	52.3 Å²	52.3	21%	0.208	31%	0.307	C	S	.	.			trans	-108.3	170	178.1	-60	-29.7	0	0	0	112.5	P530 W531 K573	P530-Y740 HydrophobicContact CB-CD2 3.94Å; P530-Y740 HydrophobicContact CB-CE2 4.36Å; P530-Y740 HydrophobicContact CG-CD2 3.12Å; P530-Y740 HydrophobicContact CG-CE2 3.3Å; P530-Y740 HydrophobicContact CG-CG 3.96Å; W531-Y740 HydrophobicContact CE3-CE2 4.34Å; K573-Y740 HydrophobicContact CG-CE1 3.99Å
741	G	82.6	Confident	84.3	Confident	59 Å²	59	52.9 Å²	52.9	61%	0.608	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	66.5	-150.7	175.2	0	0	0	0	0	112.8	A743 Q744	G741-A743 PolarHBondContact O-N 3.47Å; G741-Q744 WeakPolarHBondContact O-CB 3.18Å; G741-Q744 PolarHBondContact O-N 2.87Å
742	E	84.7	Confident	84	Confident	100 Å²	100	60 Å²	60	47%	0.467	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-61	-30.9	-174.6	63	176.5	-158.5	0	0	113.6	K525 Q744 S745 W746	K525-E742 WeakPolarHBondContact CD-OE1 3.42Å; K525-E742 WeakPolarHBondContact CE-OE1 3.29Å; K525-E742 IonicContact NZ-OE1 2.79Å; K525-E742 PolarHBondContact NZ-OE1 2.78Å; E742-Q744 PolarHBondContact O-N 3.22Å; E742-S745 WeakPolarHBondContact O-CB 3.41Å; E742-S745 PolarHBondContact O-N 3.41Å; E742-S745 PolarHBondContact O-OG 3.15Å; E742-W746 HydrophobicContact CG-CZ2 4.09Å
743	A	86.5	Confident	83.8	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-68.7	-16.4	-177.3	0	0	0	0	0	113.5	K525 F734 V739 G741 S745 W746	K525-A743 HydrophobicContact CB-CB 4.5Å; K525-A743 WeakPolarHBondContact O-CB 3.1Å; F734-A743 HydrophobicContact CZ-CB 4.4Å; V739-A743 HydrophobicContact CG1-CB 3.61Å; G741-A743 PolarHBondContact O-N 3.47Å; A743-S745 PolarHBondContact O-N 3.34Å; A743-W746 VanDerWaalsContact CA-CD2 3.45Å; A743-W746 HydrophobicContact CB-CD2 3.7Å; A743-W746 HydrophobicContact CB-CE3 3.48Å; A743-W746 VanDerWaalsContact CB-CE3 3.48Å; A743-W746 HydrophobicContact CB-CG 4.4Å; A743-W746 HydrophobicContact CB-CH2 3.99Å; A743-W746 HydrophobicContact CB-CZ2 4.14Å; A743-W746 HydrophobicContact CB-CZ3 3.66Å; A743-W746 WeakPolarHBondContact O-CB 3.28Å; A743-W746 PolarHBondContact O-N 3.01Å; A743-W746 VanDerWaalsContact O-N 3.13Å
744	Q	85.9	Confident	83.6	Confident	131 Å²	131	59.9 Å²	59.9	61%	0.612	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-62.4	-24.8	171	-167.4	-179.8	2.1	0	0	112.3	G741 E742	G741-Q744 WeakPolarHBondContact O-CB 3.18Å; G741-Q744 PolarHBondContact O-N 2.87Å; E742-Q744 PolarHBondContact O-N 3.22Å
745	S	88.5	Confident	83.1	Confident	102 Å²	102	65.7 Å²	65.7	71%	0.713	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-87.9	-8.4	177.3	73	0	0	0	0	113.9	E742 A743	E742-S745 WeakPolarHBondContact O-CB 3.41Å; E742-S745 PolarHBondContact O-N 3.41Å; E742-S745 PolarHBondContact O-OG 3.15Å; A743-S745 PolarHBondContact O-N 3.34Å
746	W	90.8	Very high	82.6	Confident	32 Å²	32	64.4 Å²	64.4	12%	0.121	37%	0.373	C	S	.	.	S	Bend	trans	-75.6	149.1	-178.2	-61.5	-9.4	0	0	0	111.6	K525 N526 L675 I704 Q707 F734 E742 A743 S748	K525-W746 HydrophobicContact CB-CH2 3.72Å; K525-W746 HydrophobicContact CB-CZ2 4.36Å; K525-W746 HydrophobicContact CB-CZ3 4.44Å; K525-W746 HydrophobicContact CD-CH2 4.15Å; K525-W746 HydrophobicContact CD-CZ2 4.39Å; N526-W746 HydrophobicContact CB-CZ3 4.08Å; L675-W746 HydrophobicContact CD2-CH2 3.8Å; L675-W746 HydrophobicContact CD2-CZ3 4.08Å; I704-W746 HydrophobicContact CD1-CZ3 4.15Å; I704-W746 HydrophobicContact CG2-CE3 3.75Å; I704-W746 HydrophobicContact CG2-CZ3 4.26Å; Q707-W746 HydrophobicContact CB-CZ3 4.48Å; Q707-W746 HydrophobicContact CG-CD2 3.85Å; Q707-W746 HydrophobicContact CG-CE3 3.88Å; Q707-W746 HydrophobicContact CG-CG 4.35Å; Q707-W746 HydrophobicContact CG-CH2 4.43Å; Q707-W746 HydrophobicContact CG-CZ2 4.45Å; Q707-W746 HydrophobicContact CG-CZ3 4.15Å; F734-W746 HydrophobicContact CE1-CB 3.87Å; F734-W746 HydrophobicContact CZ-CB 4.4Å; F734-W746 HydrophobicContact CZ-CE3 4.25Å; E742-W746 HydrophobicContact CG-CZ2 4.09Å; A743-W746 VanDerWaalsContact CA-CD2 3.45Å; A743-W746 HydrophobicContact CB-CD2 3.7Å; A743-W746 HydrophobicContact CB-CE3 3.48Å; A743-W746 VanDerWaalsContact CB-CE3 3.48Å; A743-W746 HydrophobicContact CB-CG 4.4Å; A743-W746 HydrophobicContact CB-CH2 3.99Å; A743-W746 HydrophobicContact CB-CZ2 4.14Å; A743-W746 HydrophobicContact CB-CZ3 3.66Å; A743-W746 WeakPolarHBondContact O-CB 3.28Å; A743-W746 PolarHBondContact O-N 3.01Å; A743-W746 VanDerWaalsContact O-N 3.13Å; W746-S748 PolarHBondContact O-N 2.76Å
747	A	87.9	Confident	81.9	Confident	63 Å²	63	63.7 Å²	63.7	52%	0.521	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-65.4	133.9	175.5	0	0	0	0	0	110.6	F734	F734-A747 WeakPolarHBondContact CD1-O 3.45Å
748	S	88.8	Confident	81.2	Confident	53 Å²	53	55.7 Å²	55.7	37%	0.371	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-70.3	141.4	170.1	-61.7	0	0	0	0	109.8	F734 A736 W746	F734-S748 CarbonylContact O-C 3.53Å; F734-S748 WeakPolarHBondContact O-CA 3.37Å; F734-S748 WeakPolarHBondContact O-CB 3.46Å; A736-S748 PolarHBondContact N-OG 2.86Å; W746-S748 PolarHBondContact O-N 2.76Å
749	A	87.7	Confident	81	Confident	9 Å²	9	56.7 Å²	56.7	7%	0.074	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-67.3	134.7	178.1	0	0	0	0	0	110.9	V703 P705 A733 F734 D753 V754	V703-A749 WeakPolarHBondContact O-CB 3.21Å; P705-A749 HydrophobicContact CG-CB 3.99Å; A733-A749 HydrophobicContact CB-CB 3.92Å; F734-A749 HydrophobicContact CB-CB 4.46Å; F734-A749 PolarHBondContact O-N 3.41Å; A749-D753 HydrophobicContact CB-CB 4.33Å; A749-V754 HydrophobicContact CB-CG2 4.34Å
750	T	85.7	Confident	80.3	Confident	58 Å²	58	61.2 Å²	61.2	36%	0.356	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-98	166.2	171.8	68.6	0	0	0	0	109.9	E752 D753 V754	T750-E752 PolarHBondContact O-N 3.4Å; T750-E752 VanDerWaalsContact O-N 3.16Å; T750-E752 PolarHBondContact OG1-N 3.16Å; T750-D753 WeakPolarHBondContact CB-OD2 3.28Å; T750-D753 PolarHBondContact N-OD2 2.83Å; T750-D753 WeakPolarHBondContact O-CB 3.5Å; T750-D753 PolarHBondContact O-N 3.28Å; T750-D753 PolarHBondContact OG1-N 2.68Å; T750-D753 PolarHBondContact OG1-OD2 3.46Å; T750-V754 PolarHBondContact O-N 3.01Å
751	P	80.9	Confident	79.6	Confident	67 Å²	67	59.4 Å²	59.4	44%	0.435	34%	0.344	S	S	.	.	H	α-helix	trans	-53.1	-33	171.2	-27.6	36.5	0	0	0	113.3	D753 V754 E755 V791	P751-D753 VanDerWaalsContact C-N 3.28Å; P751-D753 PolarHBondContact O-N 3.27Å; P751-V754 PolarHBondContact O-N 2.72Å; P751-E755 WeakPolarHBondContact O-CB 3.26Å; P751-E755 WeakPolarHBondContact O-CG 3.47Å; P751-E755 PolarHBondContact O-N 2.79Å; P751-V791 HydrophobicContact CG-CG2 4.44Å
752	E	81.4	Confident	78.2	Confident	158 Å²	158	57.8 Å²	57.8	74%	0.738	32%	0.322	S	S	*	.	H	α-helix	trans	-69.4	-24.4	179	-66.1	161	-169.8	0	0	112.7	T750 P756	T750-E752 PolarHBondContact O-N 3.4Å; T750-E752 VanDerWaalsContact O-N 3.16Å; T750-E752 PolarHBondContact OG1-N 3.16Å; E752-P756 WeakPolarHBondContact O-CD 3.29Å; E752-P756 VanDerWaalsContact O-CG 3.29Å; E752-P756 WeakPolarHBondContact O-CG 3.47Å
753	D	82.1	Confident	76	Confident	55 Å²	55	60.4 Å²	60.4	29%	0.294	34%	0.335	S	S	.	.	H	α-helix	trans	-80.2	-32.5	173.3	-58.6	-64.4	0	0	0	111.8	V703 P705 A749 T750 P751 P757	V703-D753 HydrophobicContact CG1-CB 4.33Å; P705-D753 HydrophobicContact CG-CB 4.15Å; A749-D753 HydrophobicContact CB-CB 4.33Å; T750-D753 WeakPolarHBondContact CB-OD2 3.28Å; T750-D753 PolarHBondContact N-OD2 2.83Å; T750-D753 WeakPolarHBondContact O-CB 3.5Å; T750-D753 PolarHBondContact O-N 3.28Å; T750-D753 PolarHBondContact OG1-N 2.68Å; T750-D753 PolarHBondContact OG1-OD2 3.46Å; P751-D753 VanDerWaalsContact C-N 3.28Å; P751-D753 PolarHBondContact O-N 3.27Å; D753-P757 VanDerWaalsContact O-CD 3.25Å; D753-P757 WeakPolarHBondContact O-CD 3.36Å
754	V	80.7	Confident	73.8	Confident	9 Å²	9	64.3 Å²	64.3	6%	0.055	36%	0.36	C	S	.	.	H	α-helix	trans	-87.4	-33.2	-175.1	-177.8	0	0	0	0	112.2	V703 L731 A733 A749 T750 P751 P757 A758	V703-V754 HydrophobicContact CB-CG2 4.24Å; V703-V754 HydrophobicContact CG1-CG2 4.39Å; V703-V754 HydrophobicContact CG2-CG2 4.49Å; L731-V754 HydrophobicContact CB-CG1 3.85Å; A733-V754 HydrophobicContact CB-CG2 4.02Å; A749-V754 HydrophobicContact CB-CG2 4.34Å; T750-V754 PolarHBondContact O-N 3.01Å; P751-V754 PolarHBondContact O-N 2.72Å; V754-P757 VanDerWaalsContact O-CD 3.29Å; V754-P757 WeakPolarHBondContact O-CD 3.35Å; V754-P757 WeakPolarHBondContact O-CG 3.25Å; V754-A758 VanDerWaalsContact O-CB 3.26Å; V754-A758 WeakPolarHBondContact O-CB 3.43Å; V754-A758 PolarHBondContact O-N 3.44Å; V754-A758 VanDerWaalsContact O-N 3.13Å
755	E	78.2	Confident	71.1	Confident	122 Å²	122	64.5 Å²	64.5	57%	0.57	37%	0.369	S	S	*	.	H	α-helix	trans	-60.9	-46.1	-178.4	-84.3	-170.3	177.1	0	0	114	P751 A758 V759	P751-E755 WeakPolarHBondContact O-CB 3.26Å; P751-E755 WeakPolarHBondContact O-CG 3.47Å; P751-E755 PolarHBondContact O-N 2.79Å; E755-A758 WeakPolarHBondContact O-CB 3.26Å; E755-A758 PolarHBondContact O-N 2.73Å; E755-V759 WeakPolarHBondContact O-CB 3.4Å; E755-V759 VanDerWaalsContact O-CG2 3.29Å; E755-V759 WeakPolarHBondContact O-CG2 3.32Å; E755-V759 PolarHBondContact O-N 3.49Å
756	P	75.2	Confident	68.1	Low	46 Å²	46	64.6 Å²	64.6	30%	0.299	38%	0.377	S	S	.	.	H	α-helix	trans	-57.5	-53.3	-179.8	-23.4	32.5	0	0	0	113.9	L711 E752 A758 V759 Q760	L711-P756 HydrophobicContact CD1-CB 4.41Å; L711-P756 HydrophobicContact CD2-CB 4Å; E752-P756 WeakPolarHBondContact O-CD 3.29Å; E752-P756 VanDerWaalsContact O-CG 3.29Å; E752-P756 WeakPolarHBondContact O-CG 3.47Å; P756-A758 VanDerWaalsContact C-N 3.29Å; P756-A758 PolarHBondContact O-N 3.28Å; P756-V759 PolarHBondContact O-N 3.03Å; P756-Q760 WeakPolarHBondContact O-CB 3.31Å; P756-Q760 WeakPolarHBondContact O-CG 3.29Å; P756-Q760 PolarHBondContact O-N 3.39Å
757	P	66.4	Low	65	Low	4 Å²	4	67 Å²	67	3%	0.026	41%	0.411	C	S	.	.	H	α-helix	trans	-64	-35.2	175.9	23.1	-29.4	0	0	0	111.5	V703 L711 L731 D753 V754 V759 T761	V703-P757 HydrophobicContact CG2-CG 4.15Å; L711-P757 HydrophobicContact CD2-CB 4.16Å; L731-P757 HydrophobicContact CD2-CB 4.46Å; D753-P757 VanDerWaalsContact O-CD 3.25Å; D753-P757 WeakPolarHBondContact O-CD 3.36Å; V754-P757 VanDerWaalsContact O-CD 3.29Å; V754-P757 WeakPolarHBondContact O-CD 3.35Å; V754-P757 WeakPolarHBondContact O-CG 3.25Å; P757-V759 PolarHBondContact O-N 3.37Å; P757-T761 WeakPolarHBondContact O-CB 2.96Å; P757-T761 WeakPolarHBondContact O-CG2 3.29Å; P757-T761 PolarHBondContact O-N 3.43Å; P757-T761 PolarHBondContact O-OG1 3.46Å
758	A	63.5	Low	61.9	Low	5 Å²	5	69.2 Å²	69.2	4%	0.041	42%	0.422	C	S	.	.	H	α-helix	trans	-64	-38.8	176.7	0	0	0	0	0	113.7	L731 V754 E755 P756 V762	L731-A758 HydrophobicContact CD1-CB 3.4Å; L731-A758 VanDerWaalsContact CD1-CB 3.4Å; V754-A758 VanDerWaalsContact O-CB 3.26Å; V754-A758 WeakPolarHBondContact O-CB 3.43Å; V754-A758 PolarHBondContact O-N 3.44Å; V754-A758 VanDerWaalsContact O-N 3.13Å; E755-A758 WeakPolarHBondContact O-CB 3.26Å; E755-A758 PolarHBondContact O-N 2.73Å; P756-A758 VanDerWaalsContact C-N 3.29Å; P756-A758 PolarHBondContact O-N 3.28Å; A758-V762 VanDerWaalsContact O-CB 3.28Å; A758-V762 WeakPolarHBondContact O-CB 3.06Å; A758-V762 WeakPolarHBondContact O-CG2 3.3Å
759	V	64.6	Low	58.9	Low	61 Å²	61	75.5 Å²	75.5	37%	0.37	45%	0.445	S	S	.	.	H	α-helix	trans	-76.5	-43.4	-179.7	172.9	0	0	0	0	110.1	E755 P756 P757 V762 Q763	E755-V759 WeakPolarHBondContact O-CB 3.4Å; E755-V759 VanDerWaalsContact O-CG2 3.29Å; E755-V759 WeakPolarHBondContact O-CG2 3.32Å; E755-V759 PolarHBondContact O-N 3.49Å; P756-V759 PolarHBondContact O-N 3.03Å; P757-V759 PolarHBondContact O-N 3.37Å; V759-V762 PolarHBondContact O-N 3.07Å; V759-Q763 HydrophobicContact CG1-CG 4.38Å; V759-Q763 WeakPolarHBondContact O-CG 3.28Å; V759-Q763 PolarHBondContact O-N 3.39Å
760	Q	67.5	Low	55.9	Low	99 Å²	99	84.4 Å²	84.4	46%	0.463	48%	0.482	S	S	.	.	H	α-helix	trans	-79.9	-32.9	-171.8	-64.9	179.9	10.6	0	0	113.4	I714 P756 V762	I714-Q760 HydrophobicContact CD1-CB 3.88Å; I714-Q760 HydrophobicContact CG1-CB 3.54Å; P756-Q760 WeakPolarHBondContact O-CB 3.31Å; P756-Q760 WeakPolarHBondContact O-CG 3.29Å; P756-Q760 PolarHBondContact O-N 3.39Å; Q760-V762 VanDerWaalsContact C-N 3.3Å
761	T	61.8	Low	53	Low	15 Å²	15	89.8 Å²	89.8	9%	0.092	51%	0.507	C	S	.	.	H	α-helix	trans	-73	-22.5	171.6	52.9	0	0	0	0	113.1	I714 L717 I721 P757	I714-T761 HydrophobicContact CD1-CG2 3.45Å; I714-T761 VanDerWaalsContact CD1-CG2 3.45Å; L717-T761 HydrophobicContact CD2-CG2 3.79Å; L717-T761 HydrophobicContact CG-CG2 3.96Å; I721-T761 HydrophobicContact CD1-CG2 4.11Å; P757-T761 WeakPolarHBondContact O-CB 2.96Å; P757-T761 WeakPolarHBondContact O-CG2 3.29Å; P757-T761 PolarHBondContact O-N 3.43Å; P757-T761 PolarHBondContact O-OG1 3.46Å
762	V	53.3	Low	50.3	Low	24 Å²	24	97.5 Å²	97.5	15%	0.145	53%	0.527	C	S	.	.	S	Bend	trans	-120	13.5	-169.2	-161.7	0	0	0	0	113.4	A758 V759 Q760 P764 R795 V797	A758-V762 VanDerWaalsContact O-CB 3.28Å; A758-V762 WeakPolarHBondContact O-CB 3.06Å; A758-V762 WeakPolarHBondContact O-CG2 3.3Å; V759-V762 PolarHBondContact O-N 3.07Å; Q760-V762 VanDerWaalsContact C-N 3.3Å; V762-P764 WeakPolarHBondContact O-CD 3.39Å; V762-R795 HydrophobicContact CG1-CB 4.01Å; V762-V797 HydrophobicContact CG1-CG2 4.24Å
763	Q	39.1	Very low	47.7	Very low	156 Å²	156	92.8 Å²	92.8	73%	0.729	52%	0.521	S	S	*	.			trans	-55.4	112.9	179.5	-102	-168.3	3.2	0	0	110.8	V759	V759-Q763 HydrophobicContact CG1-CG 4.38Å; V759-Q763 WeakPolarHBondContact O-CG 3.28Å; V759-Q763 PolarHBondContact O-N 3.39Å
764	P	40	Very low	45	Very low	82 Å²	82	98.6 Å²	98.6	53%	0.532	55%	0.547	S	S	.	.			trans	-97.6	144.7	-171.9	32.3	-22.9	0	0	0	111.7	V762 A766	V762-P764 WeakPolarHBondContact O-CD 3.39Å; P764-A766 PolarHBondContact O-N 3.31Å
765	V	28.8	Very low	42.4	Very low	134 Å²	134	107 Å²	107	81%	0.812	59%	0.585	S	S	*	*	S	Bend	trans	-49.2	132.5	154.9	-173.7	0	0	0	0	108.1	G767	V765-G767 PolarHBondContact O-N 3.02Å
766	A	25.2	Very low	39.9	Very low	105 Å²	105	109.4 Å²	109.4	87%	0.868	60%	0.596	S	S	*	*	S	Bend	trans	-37.8	124.3	-166	0	0	0	0	0	116.6	P764	P764-A766 PolarHBondContact O-N 3.31Å
767	G	25.8	Very low	37.6	Very low	81 Å²	81	116.5 Å²	116.5	84%	0.835	63%	0.625	S	S	*	*			trans	139.9	49.4	162.4	0	0	0	0	0	118	V765	V765-G767 PolarHBondContact O-N 3.02Å
768	C	24	Very low	35.8	Very low	111 Å²	111	121.2 Å²	121.2	75%	0.75	66%	0.664	S	S	*	*			trans	-116	114.6	176.3	-152.3	0	0	0	0	111.9
769	Q	24.9	Very low	34	Very low	185 Å²	185	125.3 Å²	125.3	86%	0.864	70%	0.698	S	S	*	*			trans	-87.7	128.3	176.5	-77.2	179.2	-19.3	0	0	111.1	I771	Q769-I771 PolarHBondContact O-N 3.06Å
770	K	24.7	Very low	32.2	Very low	196 Å²	196	129.7 Å²	129.7	85%	0.852	72%	0.719	S	S	*	*			trans	-61.5	122.3	169.2	-92.6	178.9	172.5	177.6	0	110	R772	K770-R772 PolarHBondContact O-N 3.35Å
771	I	25.7	Very low	30.2	Very low	171 Å²	171	137 Å²	137	88%	0.877	74%	0.743	S	S	*	*			trans	-70.4	98.4	166.5	-59	173.4	0	0	0	107.3	Q769 G773	Q769-I771 PolarHBondContact O-N 3.06Å; I771-G773 PolarHBondContact O-N 3.46Å
772	R	24.4	Very low	28.5	Very low	229 Å²	229	141.5 Å²	141.5	86%	0.864	77%	0.774	S	S	*	*			trans	-79.5	111.8	170.6	-84	-177.1	171.2	178.2	-2.4	108.5	K770 Q774	K770-R772 PolarHBondContact O-N 3.35Å; R772-Q774 PolarHBondContact O-N 2.99Å
773	G	26.3	Very low	27.6	Very low	59 Å²	59	146.6 Å²	146.6	61%	0.608	81%	0.808	S	S	*	*			trans	-54.7	130.4	170	0	0	0	0	0	110.8	I771 H775	I771-G773 PolarHBondContact O-N 3.46Å; G773-H775 PolarHBondContact O-N 2.94Å; G773-H775 VanDerWaalsContact O-N 3.15Å
774	Q	25.7	Very low	27	Very low	177 Å²	177	143.7 Å²	143.7	83%	0.827	81%	0.811	S	S	*	*			trans	-64.6	110.4	176.9	-70.8	173.2	-14	0	0	109.2	R772 Q776	R772-Q774 PolarHBondContact O-N 2.99Å; Q774-Q776 PolarHBondContact O-N 2.61Å
775	H	24.8	Very low	26.3	Very low	184 Å²	184	147.1 Å²	147.1	85%	0.852	83%	0.825	S	S	*	*			trans	-66.8	95.7	167.4	-74.7	-76.1	0	0	0	108.9	G773	G773-H775 PolarHBondContact O-N 2.94Å; G773-H775 VanDerWaalsContact O-N 3.15Å
776	Q	27.2	Very low	26.1	Very low	174 Å²	174	152.1 Å²	152.1	81%	0.813	83%	0.829	S	S	*	*			trans	-84	122.7	162.6	-76.5	-173.7	-6.7	0	0	109.2	Q774	Q774-Q776 PolarHBondContact O-N 2.61Å
777	H	26.8	Very low	26.1	Very low	195 Å²	195	152 Å²	152	90%	0.903	82%	0.822	S	S	*	*			trans	-57.2	127.4	177.2	-71.6	-83.6	0	0	0	112.2
778	A	28.1	Very low	26.1	Very low	103 Å²	103	154.2 Å²	154.2	85%	0.851	82%	0.819	S	S	*	*			trans	-147.5	121.6	154.7	0	0	0	0	0	109.5
779	A	25.5	Very low	26	Very low	91 Å²	91	153.3 Å²	153.3	75%	0.752	81%	0.813	S	S	*	*			trans	-76.9	156.4	-173.9	0	0	0	0	0	113.4
780	N	25.9	Very low	26.1	Very low	153 Å²	153	149.3 Å²	149.3	82%	0.818	80%	0.804	S	S	*	*			trans	58.2	103.8	159.1	-72.5	-10.6	0	0	0	118.2
781	R	25.8	Very low	26.2	Very low	253 Å²	253	144.1 Å²	144.1	96%	0.955	79%	0.788	S	S	*	*			trans	-166.3	146.3	132.1	-99.2	152.7	-160.5	-136.4	7.1	111.4
782	S	27.2	Very low	26.4	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	77%	0.772	S	S	*	*			trans	-64.6	159.3	-168.6	52.9	0	0	0	0	115.1	A784	S782-A784 PolarHBondContact O-N 3.34Å
783	P	34.5	Very low	26.9	Very low	132 Å²	132	131 Å²	131	86%	0.857	74%	0.744	S	S	*	*			trans	-88.8	106.8	-169.1	33.7	-29.3	0	0	0	112
784	A	25.4	Very low	27.2	Very low	94 Å²	94	132 Å²	132	78%	0.777	74%	0.739	S	S	*	*			trans	-164.9	70.8	161.5	0	0	0	0	0	109.9	S782	S782-A784 PolarHBondContact O-N 3.34Å
785	D	24.8	Very low	27.9	Very low	155 Å²	155	128.4 Å²	128.4	83%	0.829	72%	0.718	S	S	*	*			trans	175.1	106.7	141.5	-121.7	-26.2	0	0	0	107.8
786	R	25.9	Very low	28.2	Very low	239 Å²	239	128.5 Å²	128.5	90%	0.902	71%	0.71	S	S	*	*			trans	-103.2	75.2	169.4	-78.4	-172.1	179.4	-176.4	0.7	108	V788	R786-V788 PolarHBondContact O-N 2.91Å; R786-V788 VanDerWaalsContact O-N 3.15Å
787	S	24.6	Very low	28.3	Very low	102 Å²	102	121.6 Å²	121.6	71%	0.713	68%	0.68	S	S	*	*			trans	-72	96.7	156.5	59.8	0	0	0	0	107.4	S789	S787-S789 PolarHBondContact O-N 3.45Å
788	V	25	Very low	28.3	Very low	127 Å²	127	117.3 Å²	117.3	77%	0.77	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-70.6	116	176.5	-178.4	0	0	0	0	108.1	R786	R786-V788 PolarHBondContact O-N 2.91Å; R786-V788 VanDerWaalsContact O-N 3.15Å
789	S	23.4	Very low	28.2	Very low	92 Å²	92	117 Å²	117	64%	0.643	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-68.9	148	177.8	-41.9	0	0	0	0	111.2	S787 V791	S787-S789 PolarHBondContact O-N 3.45Å; S789-V791 PolarHBondContact O-N 2.91Å
790	P	26.6	Very low	28.1	Very low	102 Å²	102	117.1 Å²	117.1	66%	0.662	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-64.1	128.2	-177.9	23.9	-31.5	0	0	0	111.4	S792	P790-S792 PolarHBondContact O-N 3.43Å
791	V	26.7	Very low	28.1	Very low	86 Å²	86	113.9 Å²	113.9	52%	0.521	65%	0.651	S	S	.	*			trans	-82.3	108	176.3	-179	0	0	0	0	108.1	P751 S789	P751-V791 HydrophobicContact CG-CG2 4.44Å; S789-V791 PolarHBondContact O-N 2.91Å
792	S	29.2	Very low	28.1	Very low	78 Å²	78	107.4 Å²	107.4	55%	0.545	65%	0.645	S	S	.	*			trans	-103.1	131.9	170.6	55.8	0	0	0	0	110	P790	P790-S792 PolarHBondContact O-N 3.43Å
793	V	34.6	Very low	28	Very low	46 Å²	46	111.6 Å²	111.6	28%	0.279	65%	0.652	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.8	106	174.2	-178.5	0	0	0	0	108	R795	V793-R795 HydrophobicContact CG1-CG 4.09Å
794	V	33.9	Very low	27.7	Very low	80 Å²	80	113.6 Å²	113.6	49%	0.485	65%	0.654	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.4	120.7	170	-178.7	0	0	0	0	107.7
795	R	39.7	Very low	27.7	Very low	103 Å²	103	113.9 Å²	113.9	39%	0.389	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.1	129.5	171.1	-73.9	-171.9	178.8	-174.9	3.8	109.8	V762 V793	V762-R795 HydrophobicContact CG1-CB 4.01Å; V793-R795 HydrophobicContact CG1-CG 4.09Å
796	R	31.3	Very low	27.8	Very low	185 Å²	185	114 Å²	114	70%	0.698	66%	0.656	S	S	*	*			trans	-80.8	132.8	168.8	-83.5	-172.8	-176.6	174.5	-0.6	109.7	T798	R796-T798 PolarHBondContact O-N 2.81Å
797	V	30.3	Very low	27.9	Very low	30 Å²	30	113.7 Å²	113.7	18%	0.182	66%	0.655	C	S	.	*			trans	-92.6	86.8	172.1	-175.9	0	0	0	0	108	I721 V762	I721-V797 HydrophobicContact CG2-CG2 4.42Å; V762-V797 HydrophobicContact CG1-CG2 4.24Å
798	T	25.2	Very low	28	Very low	104 Å²	104	120.6 Å²	120.6	64%	0.638	67%	0.666	S	S	*	*			trans	-84.4	119.5	172.5	47.9	0	0	0	0	110.1	R796 A800	R796-T798 PolarHBondContact O-N 2.81Å; T798-A800 PolarHBondContact O-N 3.49Å
799	T	25.9	Very low	28.2	Very low	98 Å²	98	126.2 Å²	126.2	60%	0.601	67%	0.673	S	S	*	*			trans	-72.2	109.2	169.7	41.1	0	0	0	0	109.6	A801	T799-A801 VanDerWaalsContact C-N 3.35Å; T799-A801 PolarHBondContact O-N 3.2Å
800	A	25.1	Very low	28.3	Very low	93 Å²	93	133.8 Å²	133.8	77%	0.769	69%	0.688	S	S	*	*			trans	-72.9	87.4	174.6	0	0	0	0	0	110.2	T798	T798-A800 PolarHBondContact O-N 3.49Å
801	A	25.2	Very low	28.5	Very low	84 Å²	84	136 Å²	136	69%	0.694	69%	0.694	S	S	*	*			trans	-93.1	127.8	158.4	0	0	0	0	0	108.7	T799	T799-A801 VanDerWaalsContact C-N 3.35Å; T799-A801 PolarHBondContact O-N 3.2Å
802	S	26.5	Very low	29.1	Very low	118 Å²	118	137.6 Å²	137.6	83%	0.825	71%	0.706	S	S	*	*			trans	78.5	74.5	167.8	75.3	0	0	0	0	118.8
803	Q	24.8	Very low	29.3	Very low	196 Å²	196	140.9 Å²	140.9	92%	0.916	72%	0.717	S	S	*	*			trans	-129.5	71	152.2	-76	-167.9	0.7	0	0	110.6
804	I	26.9	Very low	29.2	Very low	174 Å²	174	150.4 Å²	150.4	89%	0.892	75%	0.748	S	S	*	*			trans	-135.6	74.8	156	-53.6	177.8	0	0	0	107.2
805	A	26.4	Very low	29.4	Very low	99 Å²	99	151.8 Å²	151.8	82%	0.818	76%	0.761	S	S	*	*			trans	-169.8	75.6	165.4	0	0	0	0	0	111
806	D	26.9	Very low	29.3	Very low	157 Å²	157	152.7 Å²	152.7	84%	0.84	78%	0.781	S	S	*	*			trans	-153.4	61	157.1	-154	6.6	0	0	0	113.4
807	R	26.8	Very low	29.7	Very low	234 Å²	234	149.4 Å²	149.4	88%	0.883	78%	0.783	S	S	*	*			trans	-156.7	85.7	154.8	-72.6	-159.8	-179.2	-172.2	-0.6	109.6
808	R	27.8	Very low	30.1	Very low	246 Å²	246	153.5 Å²	153.5	93%	0.928	81%	0.811	S	S	*	*	S	Bend	trans	-171.5	104.5	143.5	-103.5	168.2	-129	-129.3	10.1	110.7
809	R	28.6	Very low	30.7	Very low	245 Å²	245	154.3 Å²	154.3	93%	0.925	82%	0.817	S	S	*	*			trans	8	123.5	153.1	-64.4	-179.1	-179	-142.7	-0.7	117.1	D811	R809-D811 PolarHBondContact O-N 3.31Å
810	R	25.6	Very low	31.2	Very low	252 Å²	252	155.2 Å²	155.2	95%	0.951	83%	0.825	S	S	*	*			trans	-32.5	120.7	157.7	-63.7	174.6	-174.2	-165.5	-0.6	112.2
811	D	32.3	Very low	31.7	Very low	148 Å²	148	156.9 Å²	156.9	79%	0.791	83%	0.828	S	S	*	*			trans	-131.9	107.1	151.2	-159.2	-4.2	0	0	0	107.2	R809 D813	R809-D811 PolarHBondContact O-N 3.31Å; D811-D813 PolarHBondContact O-N 3.39Å
812	P	38	Very low	32.1	Very low	120 Å²	120	158 Å²	158	78%	0.779	83%	0.831	S	S	*	*			trans	-90.2	72.1	-174.9	35.8	-30.6	0	0	0	109.9
813	D	33.5	Very low	32.6	Very low	146 Å²	146	158.4 Å²	158.4	78%	0.781	83%	0.831	S	S	*	*			trans	-166.2	90.7	161.6	-132.5	-8.2	0	0	0	111.2	D811	D811-D813 PolarHBondContact O-N 3.39Å
814	R	33.6	Very low	33	Very low	247 Å²	247	156.5 Å²	156.5	93%	0.932	83%	0.827	S	S	*	*			trans	-172.3	114.9	153.9	-107.3	161.3	-171.1	-147	1.6	112.2
815	S	36.8	Very low	33.2	Very low	108 Å²	108	153 Å²	153	76%	0.755	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-54.6	149.8	169.9	40	0	0	0	0	113.5
816	P	38.4	Very low	33.4	Very low	123 Å²	123	157.6 Å²	157.6	80%	0.799	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-70.4	143.5	-169.7	28.6	-35	0	0	0	112.9
817	P	38.8	Very low	33.6	Very low	115 Å²	115	155.8 Å²	155.8	75%	0.747	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-80.1	156.3	176.8	32.9	-32.8	0	0	0	112.2
818	P	38.4	Very low	33.8	Very low	117 Å²	117	149 Å²	149	76%	0.76	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-77	157	-174.2	29.1	-29	0	0	0	113.1
819	P	39.2	Very low	33.9	Very low	120 Å²	120	143.2 Å²	143.2	78%	0.779	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-70.7	150.3	-172.9	28.3	-33.8	0	0	0	113.1
820	P	35.6	Very low	33.8	Very low	117 Å²	117	136.5 Å²	136.5	76%	0.76	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-79	158.4	-175.6	32.7	-34.2	0	0	0	112.8
821	P	35.9	Very low	34	Very low	128 Å²	128	131.4 Å²	131.4	83%	0.831	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-74.5	136.8	-173.4	30.5	-33.2	0	0	0	112.1
822	S	34.2	Very low	33.8	Very low	109 Å²	109	128.4 Å²	128.4	76%	0.762	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-69.1	138.3	179.1	50	0	0	0	0	112.1
823	P	36.7	Very low	33.2	Very low	125 Å²	125	130.4 Å²	130.4	81%	0.812	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-81.3	147.7	-178.3	25.2	-18.1	0	0	0	112.7	A825	P823-A825 PolarHBondContact O-N 3.13Å
824	D	32.3	Very low	32.9	Very low	157 Å²	157	132.1 Å²	132.1	84%	0.84	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-49.9	117.6	-174.4	-60.5	-59.6	0	0	0	114.1
825	A	31.5	Very low	32.5	Very low	99 Å²	99	128 Å²	128	82%	0.818	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-84.8	117.7	171.8	0	0	0	0	0	110.1	P823	P823-A825 PolarHBondContact O-N 3.13Å
826	F	31	Very low	31.8	Very low	196 Å²	196	129.4 Å²	129.4	86%	0.86	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-74.9	143.5	164.3	-91.1	-90.8	0	0	0	110.6
827	P	31.8	Very low	31.2	Very low	120 Å²	120	130.3 Å²	130.3	78%	0.779	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-90.5	127.2	-158.5	34.1	-31.3	0	0	0	112.4
828	A	30.8	Very low	30.4	Very low	92 Å²	92	136.1 Å²	136.1	76%	0.76	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-89.4	149.2	160.9	0	0	0	0	0	109.7
829	P	29.7	Very low	29.7	Very low	123 Å²	123	139.7 Å²	139.7	80%	0.799	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-77.2	139	-162.1	17.7	-8.4	0	0	0	112.6	V831	P829-V831 PolarHBondContact O-N 3Å
830	A	25.9	Very low	29	Very low	105 Å²	105	140.4 Å²	140.4	87%	0.868	81%	0.805	S	S	*	*			trans	-57.2	115.2	178.6	0	0	0	0	0	112.2
831	V	29.7	Very low	28.4	Very low	144 Å²	144	143.1 Å²	143.1	87%	0.873	81%	0.805	S	S	*	*			trans	-101.6	115.6	158.8	-177.7	0	0	0	0	106.1	P829	P829-V831 PolarHBondContact O-N 3Å
832	A	27.7	Very low	28	Very low	86 Å²	86	142.8 Å²	142.8	71%	0.711	80%	0.803	S	S	*	*			trans	-59.2	136	-168.1	0	0	0	0	0	113.4	Q834	A832-Q834 PolarHBondContact O-N 3.09Å; A832-Q834 VanDerWaalsContact O-N 3.14Å
833	D	25.7	Very low	27.7	Very low	162 Å²	162	144 Å²	144	87%	0.866	81%	0.805	S	S	*	*			trans	-49.9	111.2	165.3	-79.4	-45.9	0	0	0	110.5
834	Q	26.5	Very low	27.3	Very low	181 Å²	181	143.1 Å²	143.1	85%	0.846	80%	0.802	S	S	*	*			trans	-97.1	100.4	158.7	-77.8	-168.9	-15.4	0	0	108.1	A832 T836	A832-Q834 PolarHBondContact O-N 3.09Å; A832-Q834 VanDerWaalsContact O-N 3.14Å; Q834-T836 PolarHBondContact O-N 3.46Å
835	E	25.1	Very low	27.4	Very low	161 Å²	161	140.8 Å²	140.8	75%	0.752	80%	0.796	S	S	*	*			trans	-51.3	108.4	169.5	-70.6	-178.4	141	0	0	110.1	H837	E835-H837 PolarHBondContact O-N 2.96Å; E835-H837 VanDerWaalsContact O-N 3.11Å
836	T	23.5	Very low	27.3	Very low	137 Å²	137	143.5 Å²	143.5	84%	0.84	80%	0.797	S	S	*	*			trans	-79.2	92.8	172.9	26	0	0	0	0	108.7	Q834 R838	Q834-T836 PolarHBondContact O-N 3.46Å; T836-R838 PolarHBondContact O-N 3.42Å; T836-R838 VanDerWaalsContact O-N 3.11Å
837	H	24.8	Very low	27.3	Very low	142 Å²	142	138.9 Å²	138.9	66%	0.657	80%	0.795	S	S	*	*			trans	-60.1	110.3	168.3	-74.8	-77	0	0	0	110.3	E835 Y839	E835-H837 PolarHBondContact O-N 2.96Å; E835-H837 VanDerWaalsContact O-N 3.11Å; H837-Y839 HydrophobicContact CB-CE2 4.41Å; H837-Y839 WeakPolarHBondContact O-CD2 3.18Å; H837-Y839 PolarHBondContact O-N 3.35Å; H837-Y839 VanDerWaalsContact O-N 3.17Å
838	R	22.6	Very low	27.2	Very low	238 Å²	238	139.2 Å²	139.2	90%	0.898	80%	0.795	S	S	*	*			trans	-67.9	104.9	168.3	-78.9	-179.6	172	174.6	-2.1	109.4	T836 V840	T836-R838 PolarHBondContact O-N 3.42Å; T836-R838 VanDerWaalsContact O-N 3.11Å; R838-V840 PolarHBondContact O-N 3.16Å
839	Y	24.1	Very low	27.1	Very low	192 Å²	192	140.1 Å²	140.1	75%	0.753	79%	0.793	S	S	*	*			trans	-73.8	108.7	166.1	-75.3	-88.6	0	0	0	109.5	H837 F841	H837-Y839 HydrophobicContact CB-CE2 4.41Å; H837-Y839 WeakPolarHBondContact O-CD2 3.18Å; H837-Y839 PolarHBondContact O-N 3.35Å; H837-Y839 VanDerWaalsContact O-N 3.17Å; Y839-F841 PolarHBondContact O-N 3.24Å
840	V	23.5	Very low	27.1	Very low	134 Å²	134	142.8 Å²	142.8	81%	0.812	80%	0.797	S	S	*	*			trans	-82	103.9	168.4	179.5	0	0	0	0	107.1	R838	R838-V840 PolarHBondContact O-N 3.16Å
841	F	23.9	Very low	27.2	Very low	175 Å²	175	149.1 Å²	149.1	77%	0.768	80%	0.798	S	S	*	*			trans	-70.9	124.5	172.4	-76.8	-87.6	0	0	0	109.4	Y839 T843	Y839-F841 PolarHBondContact O-N 3.24Å; F841-T843 PolarHBondContact O-N 3.3Å
842	P	27.7	Very low	27.2	Very low	121 Å²	121	151.2 Å²	151.2	79%	0.786	80%	0.798	S	S	*	*			trans	-70.3	121.5	178.1	26.9	-30	0	0	0	109.5	S844	P842-S844 PolarHBondContact O-N 3.5Å; P842-S844 VanDerWaalsContact O-N 3.07Å
843	T	27.6	Very low	27.3	Very low	133 Å²	133	153 Å²	153	82%	0.816	80%	0.801	S	S	*	*			trans	-61	105.4	170.6	48.2	0	0	0	0	109.2	F841 P845	F841-T843 PolarHBondContact O-N 3.3Å; T843-P845 WeakPolarHBondContact O-CD 3.37Å
844	S	27.1	Very low	27.4	Very low	107 Å²	107	149.6 Å²	149.6	75%	0.748	80%	0.795	S	S	*	*			trans	-67.5	117.1	164.8	169.5	0	0	0	0	108.8	P842	P842-S844 PolarHBondContact O-N 3.5Å; P842-S844 VanDerWaalsContact O-N 3.07Å
845	P	35.2	Very low	27.5	Very low	109 Å²	109	147.1 Å²	147.1	71%	0.708	79%	0.792	S	S	*	*			trans	-93.9	94.4	172.9	32.2	-19.3	0	0	0	107.5	T843	T843-P845 WeakPolarHBondContact O-CD 3.37Å
846	D	30.5	Very low	27.5	Very low	156 Å²	156	145.9 Å²	145.9	83%	0.834	79%	0.79	S	S	*	*			trans	-179.8	82.8	158.9	-89.4	-26.2	0	0	0	109.3
847	A	30.4	Very low	27.7	Very low	99 Å²	99	147 Å²	147	82%	0.818	79%	0.79	S	S	*	*			trans	-136.2	87.8	162.7	0	0	0	0	0	108
848	T	29	Very low	27.8	Very low	126 Å²	126	149 Å²	149	77%	0.773	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-51.5	131.5	176.2	-38.5	0	0	0	0	110.3	M850	T848-M850 PolarHBondContact O-N 3.19Å
849	P	30.1	Very low	28.1	Very low	112 Å²	112	143 Å²	143	73%	0.727	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-68.4	123.5	-173.8	25.1	-31.8	0	0	0	110.9	R851	P849-R851 PolarHBondContact O-N 3.46Å
850	M	28.5	Very low	28.4	Very low	179 Å²	179	142.2 Å²	142.2	88%	0.882	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-58.9	117.5	169.9	-79.3	-169	172.9	0	0	109.3	T848 H852	T848-M850 PolarHBondContact O-N 3.19Å; M850-H852 PolarHBondContact O-N 3.3Å; M850-H852 VanDerWaalsContact O-N 3.13Å
851	R	27.3	Very low	28.7	Very low	237 Å²	237	142 Å²	142	89%	0.894	80%	0.796	S	S	*	*			trans	-60.7	111.2	173.3	-74.5	179.2	173.4	-175.7	-2.6	109.1	P849 T853	P849-R851 PolarHBondContact O-N 3.46Å; R851-T853 PolarHBondContact O-N 2.95Å
852	H	30.7	Very low	29.1	Very low	189 Å²	189	139.4 Å²	139.4	88%	0.875	80%	0.796	S	S	*	*			trans	-62.8	103.4	161.9	-75.5	-82.8	0	0	0	108.4	M850 A854	M850-H852 PolarHBondContact O-N 3.3Å; M850-H852 VanDerWaalsContact O-N 3.13Å; H852-A854 PolarHBondContact O-N 3.43Å
853	T	29	Very low	29.4	Very low	124 Å²	124	138.6 Å²	138.6	76%	0.761	80%	0.8	S	S	*	*			trans	-62.6	112.3	164.6	32.5	0	0	0	0	108.4	R851 V855	R851-T853 PolarHBondContact O-N 2.95Å; T853-V855 PolarHBondContact O-N 3.01Å
854	A	28	Very low	29.6	Very low	89 Å²	89	143.7 Å²	143.7	74%	0.736	80%	0.804	S	S	*	*			trans	-56.6	119.9	168	0	0	0	0	0	108.7	H852	H852-A854 PolarHBondContact O-N 3.43Å
855	V	28.2	Very low	29.7	Very low	130 Å²	130	142.3 Å²	142.3	79%	0.788	81%	0.806	S	S	*	*			trans	-86.4	108.5	170.4	177.7	0	0	0	0	105.9	T853 I857	T853-V855 PolarHBondContact O-N 3.01Å; V855-I857 PolarHBondContact O-N 3.46Å
856	D	26.9	Very low	29.5	Very low	134 Å²	134	145.4 Å²	145.4	72%	0.717	81%	0.811	S	S	*	*			trans	-61.2	115.4	176.8	-75.2	-43.4	0	0	0	110.3	F858	D856-F858 PolarHBondContact O-N 3.01Å
857	I	27.3	Very low	29.6	Very low	162 Å²	162	145.6 Å²	145.6	83%	0.831	81%	0.812	S	S	*	*			trans	-75.3	100.6	174.1	-60.5	174.1	0	0	0	107.2	V855 P859	V855-I857 PolarHBondContact O-N 3.46Å; I857-P859 WeakPolarHBondContact O-CD 3.27Å
858	F	26	Very low	29.6	Very low	182 Å²	182	150.1 Å²	150.1	80%	0.798	81%	0.814	S	S	*	*			trans	-67.6	125	170.6	-82.1	-87.7	0	0	0	110.1	D856 L860	D856-F858 PolarHBondContact O-N 3.01Å; F858-L860 PolarHBondContact O-N 2.96Å
859	P	29.5	Very low	29.8	Very low	113 Å²	113	149.2 Å²	149.2	73%	0.734	81%	0.81	S	S	*	*			trans	-71.9	123.7	176.6	27.1	-30.6	0	0	0	110.4	I857 T861	I857-P859 WeakPolarHBondContact O-CD 3.27Å; P859-T861 PolarHBondContact O-N 3.27Å; P859-T861 VanDerWaalsContact O-N 3.07Å
860	L	30.4	Very low	30.1	Very low	175 Å²	175	150 Å²	150	92%	0.916	82%	0.815	S	S	*	*			trans	-62.9	102.7	175	-73.5	159.6	0	0	0	110.5	F858	F858-L860 PolarHBondContact O-N 2.96Å
861	T	29.4	Very low	30.4	Very low	131 Å²	131	149.9 Å²	149.9	80%	0.804	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-66.5	131.2	166.2	-1	0	0	0	0	110.2	P859 A863	P859-T861 PolarHBondContact O-N 3.27Å; P859-T861 VanDerWaalsContact O-N 3.07Å; T861-A863 PolarHBondContact O-N 3.45Å
862	P	33.1	Very low	30.7	Very low	120 Å²	120	143.8 Å²	143.8	78%	0.779	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-73.1	117	-176.4	27.3	-32.1	0	0	0	111.2	R864	P862-R864 PolarHBondContact O-N 3.42Å
863	A	33.3	Very low	31	Very low	103 Å²	103	140.6 Å²	140.6	85%	0.851	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-67	117.5	175.2	0	0	0	0	0	110.3	T861	T861-A863 PolarHBondContact O-N 3.45Å
864	R	31.4	Very low	30.8	Very low	241 Å²	241	143.6 Å²	143.6	91%	0.909	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-62.3	140.6	174.2	-76.2	179.3	172.1	-177.6	-2.5	110.9	P862	P862-R864 PolarHBondContact O-N 3.42Å
865	G	29.2	Very low	31.1	Very low	77 Å²	77	152.3 Å²	152.3	79%	0.794	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-51.8	131.8	-177.5	0	0	0	0	0	114.3
866	Q	31.2	Very low	31.2	Very low	174 Å²	174	153.5 Å²	153.5	81%	0.813	84%	0.841	S	S	*	*			trans	-101.4	113.5	163	-72.9	-175.2	-5.5	0	0	107.8	F868	Q866-F868 PolarHBondContact O-N 3.36Å
867	N	33.1	Very low	31.4	Very low	161 Å²	161	154.5 Å²	154.5	86%	0.861	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-64.6	117.4	170	-76.7	-30.7	0	0	0	108.9
868	F	29.8	Very low	31.7	Very low	193 Å²	193	154.1 Å²	154.1	85%	0.846	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-73.7	123.9	169.5	-75.8	-86.4	0	0	0	109.6	Q866	Q866-F868 PolarHBondContact O-N 3.36Å
869	P	32.8	Very low	32	Very low	107 Å²	107	152.4 Å²	152.4	70%	0.695	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-76.3	150.3	174.2	31.2	-31.3	0	0	0	110.7
870	P	36.8	Very low	32.2	Very low	129 Å²	129	154.9 Å²	154.9	84%	0.838	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-71.3	134.4	-173.5	28.1	-32.5	0	0	0	111.7	S872	P870-S872 PolarHBondContact O-N 3.24Å
871	L	35.6	Very low	32.3	Very low	177 Å²	177	153.5 Å²	153.5	93%	0.927	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-61.2	119.2	175.8	-72.4	156	0	0	0	110.3
872	S	32.2	Very low	32.5	Very low	109 Å²	109	155.1 Å²	155.1	76%	0.762	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-75.5	135.4	171.2	56.2	0	0	0	0	110.5	P870 E874	P870-S872 PolarHBondContact O-N 3.24Å; S872-E874 PolarHBondContact O-N 3.4Å
873	P	37.5	Very low	32.4	Very low	122 Å²	122	157.8 Å²	157.8	79%	0.792	86%	0.864	S	S	*	*			trans	-86.3	107.9	177	31.5	-27.5	0	0	0	110.2
874	E	26	Very low	32.4	Very low	187 Å²	187	162.4 Å²	162.4	87%	0.874	87%	0.865	S	S	*	*			trans	172.7	92.9	153.2	-100.8	172.6	-161.7	0	0	109.5	S872	S872-E874 PolarHBondContact O-N 3.4Å
875	Q	32.9	Very low	32.5	Very low	272 Å²	272	155.3 Å²	155.3	100%	1.271	86%	0.861	S	S	*	*			trans	170.4	0	152.4	-95.9	172.2	14.9	0	0	107.5

Retrieved 875 of 875 residues in 785.7 ms (Link to these results)

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