A0A096MSZ9_PAPAN Loading...

NLR family pyrin domain containing 14

AlphaFold DB , UniProt , Accession A0A096MSZ9, Species PAPAN (Papio anubis, Olive baboon), Gene NLRP14, Length 1,092 aa.

						>A0A096MSZ9_PAPAN|A0A096MSZ9|NLRP14
MADSSSSSFFPDFGLLLYLEELNKEELNTFKLFLKETMEPEHGLIPWNEVKKARRDDLANLMKKYYPGEKAWSVTLKIFGKMNLKDLCQRAKEEINWSAQSIGPDDAKVGVTQDQEAVLGDGTEYRIRIKEKFCITWDKKSLAGKPEDFHHGIAEKDRKLLEHLFDVDVKTGEQPQTVVLQGAAGVGKTTLVRKAMLDWAEGNLYQQRFMYVFYLNGREINQLKERSFAQLISKDWPSTEGPIEGIISQPSSLLFIIDSFDELNFAFEEPEFALCEDWTQEHPVSFLMSSLLRKVMLPEASLLVTTRLTTSKRLKQLLKNHRYVELLGMSEGAREEYIYQFFEDKRWAMKAFSSLKSNEMLFNMCQVPLVCWATCTCLKQQMEKGGDVTLTCQTTTALFTSYISSLFTPVDGCSPRLPNQVQLRRLCHVAAKGIWTMTYVFYRENLRRFGLTKSDVSSFLGNNIIQKDTEYENCYVFTHLHVQEFFAAMFYMLKGNWEAGNPSCQPFEDLKSLLQSTSYKDPQLRQMKCFLFGLLNEDRVKQLERTFNCKMSLKIKSKLLQCMEVLGNSDYSPSQLGFLELFHYLYETQDKAFISQAMRYFSKVAINICEKIHLLVSSFCLKHCRCLRTIRLSVTTVFEKKTLKTSLPTNTWDGDHITHWWQDLCSVLHTNEHLRELDLCHSNLDKSAMNILHQELRHPNCKLQKLLLKCITFPDGCQDISTSLIHNQNLMHLDLKGSDIGDNGVKSLCEALKHPECKLQTLRLESCNLTVFCCLSISNVLIRSQSLIFLNLSTNNLLDDGVQLLCEALRHPKCYLERLSLESCGLTEAGCEDLSLALISNKRLTHLCLADNVLGDGGVKLMSDALQHAQCTLQSLVLRHCHFTSLSSEYLSTSLLHNKSLTHLDLGSNWLQDNGMKLLCDVFRHPSCNLQDLELMGCVLTNACCLDLASVIVYNPNLRSLDLGNNNLQDDGVKILCDALRYPNCNIQRLGLEYCGLTSLCCQDLSSALICNQRLIKMNLTQNTLGYEGIMKLYKVLKSPKCKLQVLGLCKEAFDEEAQKLLEAVGVSNPHLIIKPDCNYHNEENGSWWRCF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	25.2	Very low	30.1	Very low	248 Å²	248	125.2 Å²	125.2	100%	1.222	75%	0.749	S	S	*	*				0	135.5	0	-64.7	-178.2	-179.8	0	0	107.7
2	A	25.4	Very low	31.1	Very low	85 Å²	85	123.8 Å²	123.8	70%	0.702	74%	0.735	S	S	*	*			cis	-159.5	142	-28	0	0	0	0	0	103.6
3	D	25.6	Very low	32.4	Very low	163 Å²	163	126.5 Å²	126.5	87%	0.872	73%	0.732	S	S	*	*			trans	58.6	105.6	159.2	-56.7	-21	0	0	0	120.1
4	S	24.8	Very low	34.6	Very low	124 Å²	124	117.6 Å²	117.6	87%	0.867	68%	0.682	S	S	*	*			trans	-110.7	107.1	147.6	60.7	0	0	0	0	109
5	S	27.3	Very low	37	Very low	114 Å²	114	110.1 Å²	110.1	80%	0.797	64%	0.638	S	S	*	*			trans	-53.4	128.2	-177.2	49	0	0	0	0	115.7
6	S	26.6	Very low	39.6	Very low	108 Å²	108	105.8 Å²	105.8	76%	0.755	61%	0.612	S	S	*	*			trans	-71	118.1	154.3	54.3	0	0	0	0	110.1	S8	S6-S8 PolarHBondContact O-N 3.04Å; S6-S8 VanDerWaalsContact O-N 3.07Å
7	S	26.4	Very low	41.8	Very low	104 Å²	104	104.9 Å²	104.9	73%	0.727	60%	0.604	S	S	*	*			trans	-75.8	89.6	171.6	58	0	0	0	0	110.6	F9	S7-F9 PolarHBondContact O-N 3.21Å
8	S	28.7	Very low	43.9	Very low	82 Å²	82	99.7 Å²	99.7	57%	0.573	57%	0.572	S	S	*	*			trans	-73.7	104.9	162.6	54.1	0	0	0	0	109	S6 F10	S6-S8 PolarHBondContact O-N 3.04Å; S6-S8 VanDerWaalsContact O-N 3.07Å; S8-F10 VanDerWaalsContact C-N 3.26Å; S8-F10 PolarHBondContact O-N 3.13Å
9	F	36.9	Very low	45.9	Very low	184 Å²	184	94.4 Å²	94.4	81%	0.807	54%	0.542	S	S	*	.	S	Bend	trans	-80.6	79.3	172.2	-103.9	-90.2	0	0	0	110.2	S7	S7-F9 PolarHBondContact O-N 3.21Å
10	F	40.4	Very low	47.7	Very low	72 Å²	72	95.4 Å²	95.4	32%	0.316	54%	0.542	S	S	.	.	S	Bend	trans	-172.6	125.9	144.3	-98.9	-72.7	0	0	0	104.8	S8 D12 E69	S8-F10 VanDerWaalsContact C-N 3.26Å; S8-F10 PolarHBondContact O-N 3.13Å; F10-D12 PolarHBondContact O-N 3Å; F10-D12 VanDerWaalsContact O-N 3.16Å; F10-E69 HydrophobicContact CE2-CG 3.99Å
11	P	43.8	Very low	49.2	Very low	93 Å²	93	95.2 Å²	95.2	60%	0.604	54%	0.536	S	S	*	.			trans	-62.5	125.6	-173.8	-14.3	25.6	0	0	0	109.8	F13 G14	P11-F13 PolarHBondContact O-N 2.85Å; P11-G14 PolarHBondContact O-N 3.46Å; P11-G14 VanDerWaalsContact O-N 3.13Å
12	D	42.3	Very low	52.1	Low	109 Å²	109	83.4 Å²	83.4	58%	0.583	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-2.7	174.7	-98.9	-40.2	0	0	0	113.6	F10 K63	F10-D12 PolarHBondContact O-N 3Å; F10-D12 VanDerWaalsContact O-N 3.16Å; D12-K63 PolarHBondContact O-NZ 3.28Å; D12-K63 IonicContact OD1-NZ 3.37Å; D12-K63 PolarHBondContact OD1-NZ 3.01Å
13	F	47.8	Very low	54.8	Low	158 Å²	158	83 Å²	83	69%	0.693	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-8.4	178.1	-78.8	-88	0	0	0	115.5	P11	P11-F13 PolarHBondContact O-N 2.85Å
14	G	63.3	Low	57.5	Low	3 Å²	3	83.2 Å²	83.2	3%	0.031	46%	0.457	C	S	.	.	H	α-helix	trans	-67.6	-49.2	-169.4	0	0	0	0	0	115.1	P11 L16 L17 Y18 W72	P11-G14 PolarHBondContact O-N 3.46Å; P11-G14 VanDerWaalsContact O-N 3.13Å; G14-L16 VanDerWaalsContact C-N 3.32Å; G14-L16 PolarHBondContact O-N 2.73Å; G14-L17 PolarHBondContact O-N 2.64Å; G14-Y18 VanDerWaalsContact O-CD2 3.27Å; G14-Y18 WeakPolarHBondContact O-CD2 3.41Å; G14-W72 VanDerWaalsContact C-CZ2 3.5Å
15	L	70.8	Confident	60.1	Low	4 Å²	4	84.7 Å²	84.7	2%	0.021	45%	0.451	C	S	.	.	H	α-helix	trans	-69.2	-29.2	-171.5	-151.5	113.8	0	0	0	113.5	L19 A59 M62 A71 W72	L15-L19 HydrophobicContact CD2-CD1 4.13Å; L15-L19 WeakPolarHBondContact O-CG 3.16Å; L15-L19 PolarHBondContact O-N 2.76Å; L15-A59 HydrophobicContact CD2-CB 4.48Å; L15-M62 HydrophobicContact CD2-CB 4.21Å; L15-M62 HydrophobicContact CD2-SD 4.34Å; L15-A71 HydrophobicContact CD1-CB 4.19Å; L15-W72 HydrophobicContact CB-CH2 4.45Å; L15-W72 HydrophobicContact CB-CZ2 4.16Å; L15-W72 HydrophobicContact CD1-CD2 3.62Å; L15-W72 HydrophobicContact CD1-CE3 3.91Å; L15-W72 HydrophobicContact CD1-CG 3.95Å; L15-W72 HydrophobicContact CD1-CZ2 4.26Å; L15-W72 HydrophobicContact CD1-CZ3 4.35Å
16	L	78.6	Confident	62.8	Low	41 Å²	41	81.9 Å²	81.9	22%	0.215	43%	0.425	C	S	.	.	H	α-helix	trans	-67.7	-41.7	178.7	178.5	54.5	0	0	0	111.4	G14 Y18 L19 E20 R55 D56 A59	G14-L16 VanDerWaalsContact C-N 3.32Å; G14-L16 PolarHBondContact O-N 2.73Å; L16-Y18 VanDerWaalsContact C-N 3.3Å; L16-Y18 PolarHBondContact O-N 2.89Å; L16-L19 PolarHBondContact O-N 2.81Å; L16-L19 VanDerWaalsContact O-N 3.08Å; L16-E20 HydrophobicContact CD1-CG 4.22Å; L16-E20 HydrophobicContact CG-CG 4.46Å; L16-E20 WeakPolarHBondContact O-CG 3.46Å; L16-E20 PolarHBondContact O-N 3.41Å; L16-R55 HydrophobicContact CD1-CB 4.21Å; L16-D56 VanDerWaalsContact CD1-CA 3.48Å; L16-D56 HydrophobicContact CD1-CB 4.12Å; L16-D56 HydrophobicContact CD2-CB 4.37Å; L16-A59 HydrophobicContact CB-CB 4.17Å; L16-A59 HydrophobicContact CD1-CB 4.24Å
17	L	76.3	Confident	65.7	Low	91 Å²	91	77.3 Å²	77.3	48%	0.476	39%	0.392	S	S	.	.	H	α-helix	trans	-56.7	-43.3	178.8	-70.1	164	0	0	0	111.7	G14 L19 E20 E21	G14-L17 PolarHBondContact O-N 2.64Å; L17-L19 PolarHBondContact O-N 3.33Å; L17-E20 WeakPolarHBondContact O-CB 3.26Å; L17-E20 PolarHBondContact O-N 3.26Å; L17-E21 PolarHBondContact O-N 3.29Å
18	Y	79.9	Confident	68.4	Low	11 Å²	11	76.1 Å²	76.1	4%	0.043	38%	0.377	C	S	.	.	H	α-helix	trans	-71.9	-29	178.1	-70.9	-86.2	0	0	0	113.6	G14 L16 W72 L87 R90 A91 E94	G14-Y18 VanDerWaalsContact O-CD2 3.27Å; G14-Y18 WeakPolarHBondContact O-CD2 3.41Å; L16-Y18 VanDerWaalsContact C-N 3.3Å; L16-Y18 PolarHBondContact O-N 2.89Å; Y18-W72 AromaticContact CD2-CH2 3.55Å; Y18-W72 HydrophobicContact CD2-CH2 3.55Å; Y18-W72 AromaticContact CD2-CZ3 3.76Å; Y18-W72 HydrophobicContact CD2-CZ3 3.76Å; Y18-W72 AromaticContact CE2-CH2 3.69Å; Y18-W72 HydrophobicContact CE2-CH2 3.69Å; Y18-W72 AromaticContact CE2-CZ3 3.98Å; Y18-W72 HydrophobicContact CE2-CZ3 3.98Å; Y18-W72 HydrophobicContact CG-CZ3 4.46Å; Y18-L87 HydrophobicContact CD1-CD2 3.68Å; Y18-L87 HydrophobicContact CE1-CD2 4.38Å; Y18-R90 HydrophobicContact CE1-CB 4.11Å; Y18-R90 PolarHBondContact OH-O 3.17Å; Y18-A91 HydrophobicContact CD1-CB 4.16Å; Y18-A91 HydrophobicContact CE1-CB 3.76Å; Y18-A91 HydrophobicContact CE2-CB 4.33Å; Y18-A91 WeakPolarHBondContact OH-CA 3.5Å; Y18-A91 PolarHBondContact OH-N 3.08Å; Y18-E94 WeakPolarHBondContact CE2-OE2 3.37Å; Y18-E94 VanDerWaalsContact CZ-OE2 3.28Å; Y18-E94 PolarHBondContact OH-OE2 2.97Å
19	L	81.6	Confident	71.1	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-75	-29.4	173.8	-69.7	175.7	0	0	0	111.8	L15 L16 L17 E21 L22 F30 R55 A59	L15-L19 HydrophobicContact CD2-CD1 4.13Å; L15-L19 WeakPolarHBondContact O-CG 3.16Å; L15-L19 PolarHBondContact O-N 2.76Å; L16-L19 PolarHBondContact O-N 2.81Å; L16-L19 VanDerWaalsContact O-N 3.08Å; L17-L19 PolarHBondContact O-N 3.33Å; L19-E21 VanDerWaalsContact C-N 3.32Å; L19-L22 HydrophobicContact CD2-CD1 3.88Å; L19-L22 WeakPolarHBondContact O-CB 3.34Å; L19-L22 PolarHBondContact O-N 2.93Å; L19-F30 HydrophobicContact CD2-CD1 4.14Å; L19-F30 HydrophobicContact CD2-CD2 4.45Å; L19-F30 HydrophobicContact CD2-CE1 3.87Å; L19-F30 HydrophobicContact CD2-CE2 4.21Å; L19-F30 HydrophobicContact CD2-CG 4.43Å; L19-F30 HydrophobicContact CD2-CZ 3.92Å; L19-R55 HydrophobicContact CB-CB 4.37Å; L19-R55 WeakPolarHBondContact O-CD 3.38Å; L19-R55 PolarHBondContact O-NE 3.11Å; L19-R55 VanDerWaalsContact O-NE 3.15Å; L19-A59 HydrophobicContact CD1-CB 3.98Å
20	E	82	Confident	73.6	Confident	114 Å²	114	66.1 Å²	66.1	53%	0.533	33%	0.328	S	S	.	.	H	α-helix	trans	-64.7	-32.4	173.3	-75.8	-174.6	166.9	0	0	113.4	L16 L17 L22	L16-E20 HydrophobicContact CD1-CG 4.22Å; L16-E20 HydrophobicContact CG-CG 4.46Å; L16-E20 WeakPolarHBondContact O-CG 3.46Å; L16-E20 PolarHBondContact O-N 3.41Å; L17-E20 WeakPolarHBondContact O-CB 3.26Å; L17-E20 PolarHBondContact O-N 3.26Å; E20-L22 VanDerWaalsContact C-N 3.26Å; E20-L22 PolarHBondContact O-N 3.14Å
21	E	80.7	Confident	75.9	Confident	91 Å²	91	63.3 Å²	63.3	43%	0.425	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-17.9	176.4	-68.7	-172.1	-146.1	0	0	113.7	L17 L19 L87 R90	L17-E21 PolarHBondContact O-N 3.29Å; L19-E21 VanDerWaalsContact C-N 3.32Å; E21-L87 HydrophobicContact CB-CD2 3.9Å; E21-L87 HydrophobicContact CG-CD2 4.44Å; E21-L87 VanDerWaalsContact OE2-CD2 3.3Å; E21-L87 WeakPolarHBondContact OE2-CD2 3.42Å; E21-R90 IonicContact OE1-CZ 3.44Å; E21-R90 IonicContact OE1-NH1 3.06Å; E21-R90 IonicContact OE1-NH2 2.73Å; E21-R90 PolarHBondContact OE1-NH2 3.34Å; E21-R90 IonicContact OE2-CZ 3.92Å; E21-R90 IonicContact OE2-NH1 2.71Å; E21-R90 PolarHBondContact OE2-NH1 3.1Å; E21-R90 IonicContact OE2-NH2 2.59Å; E21-R90 PolarHBondContact OE2-NH2 3.36Å
22	L	84.5	Confident	77.8	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	31%	0.31	C	S	.	.	S	Bend	trans	-72.8	130.9	175.3	-57.8	179.9	0	0	0	110.7	L19 E20 E26 L27 F30 R55 F79 L84 L87	L19-L22 HydrophobicContact CD2-CD1 3.88Å; L19-L22 WeakPolarHBondContact O-CB 3.34Å; L19-L22 PolarHBondContact O-N 2.93Å; E20-L22 VanDerWaalsContact C-N 3.26Å; E20-L22 PolarHBondContact O-N 3.14Å; L22-E26 HydrophobicContact CB-CB 4.03Å; L22-E26 HydrophobicContact CD2-CB 4.19Å; L22-L27 HydrophobicContact CB-CB 4.31Å; L22-L27 HydrophobicContact CD1-CD1 4.12Å; L22-F30 HydrophobicContact CD1-CB 3.98Å; L22-F30 HydrophobicContact CD1-CD2 4.1Å; L22-F30 HydrophobicContact CD1-CG 4.09Å; L22-R55 PolarHBondContact O-NE 3.06Å; L22-R55 PolarHBondContact O-NH2 3.35Å; L22-F79 HydrophobicContact CD1-CE1 4.04Å; L22-F79 HydrophobicContact CD2-CE1 3.93Å; L22-F79 HydrophobicContact CG-CE1 4.35Å; L22-L84 HydrophobicContact CD2-CD1 3.48Å; L22-L84 VanDerWaalsContact CD2-CD1 3.48Å; L22-L87 HydrophobicContact CD2-CD1 4.08Å
23	N	83.4	Confident	79.7	Confident	77 Å²	77	60.8 Å²	60.8	41%	0.412	29%	0.294	S	S	.	.			trans	-69.9	175.3	169.3	75.5	47.3	0	0	0	111.3	E25 E26 L27	N23-E25 VanDerWaalsContact C-N 3.32Å; N23-E25 PolarHBondContact O-N 3.38Å; N23-E25 PolarHBondContact OD1-N 3.44Å; N23-E26 PolarHBondContact N-OE2 2.99Å; N23-E26 PolarHBondContact ND2-OE1 3.02Å; N23-E26 PolarHBondContact ND2-OE2 2.98Å; N23-E26 PolarHBondContact O-N 3.29Å; N23-E26 PolarHBondContact OD1-N 3.15Å; N23-L27 WeakPolarHBondContact O-CB 3.49Å; N23-L27 PolarHBondContact O-N 3.03Å
24	K	80.5	Confident	81.4	Confident	166 Å²	166	53.3 Å²	53.3	72%	0.722	26%	0.261	S	S	*	.	H	α-helix	trans	-65	-32.8	-172.8	-165.6	176.3	-179.8	-178.5	0	113.4	N28	K24-N28 PolarHBondContact O-N 2.93Å; K24-N28 PolarHBondContact O-ND2 3.14Å
25	E	79.6	Confident	82.1	Confident	155 Å²	155	58.1 Å²	58.1	72%	0.724	28%	0.282	S	S	*	.	H	α-helix	trans	-76.6	-40.9	177.3	-71.2	-174.5	163.5	0	0	111.4	N23 N28 T29	N23-E25 VanDerWaalsContact C-N 3.32Å; N23-E25 PolarHBondContact O-N 3.38Å; N23-E25 PolarHBondContact OD1-N 3.44Å; E25-N28 PolarHBondContact O-N 3.36Å; E25-T29 WeakPolarHBondContact O-CB 3.44Å; E25-T29 PolarHBondContact O-N 3.12Å; E25-T29 PolarHBondContact O-OG1 3.17Å
26	E	84.3	Confident	82.1	Confident	56 Å²	56	64.5 Å²	64.5	26%	0.262	31%	0.311	S	S	.	.	H	α-helix	trans	-63.3	-42.3	175.1	-71.1	167.2	162.8	0	0	111.4	L22 N23 N28 T29 F30 M82	L22-E26 HydrophobicContact CB-CB 4.03Å; L22-E26 HydrophobicContact CD2-CB 4.19Å; N23-E26 PolarHBondContact N-OE2 2.99Å; N23-E26 PolarHBondContact ND2-OE1 3.02Å; N23-E26 PolarHBondContact ND2-OE2 2.98Å; N23-E26 PolarHBondContact O-N 3.29Å; N23-E26 PolarHBondContact OD1-N 3.15Å; E26-N28 VanDerWaalsContact C-N 3.34Å; E26-N28 PolarHBondContact O-N 3.14Å; E26-T29 CarbonylContact O-C 3.46Å; E26-T29 WeakPolarHBondContact O-CB 3.39Å; E26-T29 PolarHBondContact O-N 3.27Å; E26-F30 WeakPolarHBondContact O-CB 3.48Å; E26-F30 PolarHBondContact O-N 3.33Å; E26-M82 HydrophobicContact CB-CE 3.91Å; E26-M82 HydrophobicContact CG-CE 4.45Å; E26-M82 WeakPolarHBondContact O-CE 3.44Å
27	L	87.4	Confident	81.4	Confident	11 Å²	11	64.3 Å²	64.3	6%	0.058	31%	0.312	C	S	.	.	H	α-helix	trans	-63.1	-38.9	176.9	-175.7	68.3	0	0	0	112.3	L22 N23 T29 F30 K31 R55 L58	L22-L27 HydrophobicContact CB-CB 4.31Å; L22-L27 HydrophobicContact CD1-CD1 4.12Å; N23-L27 WeakPolarHBondContact O-CB 3.49Å; N23-L27 PolarHBondContact O-N 3.03Å; L27-T29 VanDerWaalsContact C-N 3.34Å; L27-F30 PolarHBondContact O-N 3.18Å; L27-K31 WeakPolarHBondContact O-CG 3.41Å; L27-K31 PolarHBondContact O-N 3.01Å; L27-R55 HydrophobicContact CD1-CG 4Å; L27-R55 HydrophobicContact CD2-CG 3.54Å; L27-R55 HydrophobicContact CG-CG 4.41Å; L27-L58 HydrophobicContact CD1-CD2 3.99Å
28	N	84.2	Confident	80.8	Confident	79 Å²	79	61.8 Å²	61.8	42%	0.422	30%	0.298	S	S	.	.	H	α-helix	trans	-68.4	-36.9	175.4	-76.9	-25.6	0	0	0	111.8	K24 E25 E26 K31 L32	K24-N28 PolarHBondContact O-N 2.93Å; K24-N28 PolarHBondContact O-ND2 3.14Å; E25-N28 PolarHBondContact O-N 3.36Å; E26-N28 VanDerWaalsContact C-N 3.34Å; E26-N28 PolarHBondContact O-N 3.14Å; N28-K31 PolarHBondContact O-N 3.36Å; N28-L32 PolarHBondContact O-N 3.08Å
29	T	85.1	Confident	79.6	Confident	56 Å²	56	68.7 Å²	68.7	34%	0.344	33%	0.331	S	S	.	.	H	α-helix	trans	-67	-41.1	175	-55.9	0	0	0	0	111.2	E25 E26 L27 K31 L32 F33 M82	E25-T29 WeakPolarHBondContact O-CB 3.44Å; E25-T29 PolarHBondContact O-N 3.12Å; E25-T29 PolarHBondContact O-OG1 3.17Å; E26-T29 CarbonylContact O-C 3.46Å; E26-T29 WeakPolarHBondContact O-CB 3.39Å; E26-T29 PolarHBondContact O-N 3.27Å; L27-T29 VanDerWaalsContact C-N 3.34Å; T29-K31 PolarHBondContact O-N 3.24Å; T29-L32 PolarHBondContact O-N 3.21Å; T29-F33 HydrophobicContact CG2-CD2 3.81Å; T29-F33 HydrophobicContact CG2-CE2 3.57Å; T29-F33 WeakPolarHBondContact O-CD2 3.04Å; T29-F33 PolarHBondContact O-N 3.33Å; T29-M82 HydrophobicContact CG2-CE 4.31Å; T29-M82 HydrophobicContact CG2-CG 4.22Å
30	F	88.8	Confident	77.8	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-58.2	-46.2	173.2	-173.9	-83.5	0	0	0	111.2	L19 L22 E26 L27 L32 F33 L34 L58 M62 T75 I78 F79 M82	L19-F30 HydrophobicContact CD2-CD1 4.14Å; L19-F30 HydrophobicContact CD2-CD2 4.45Å; L19-F30 HydrophobicContact CD2-CE1 3.87Å; L19-F30 HydrophobicContact CD2-CE2 4.21Å; L19-F30 HydrophobicContact CD2-CG 4.43Å; L19-F30 HydrophobicContact CD2-CZ 3.92Å; L22-F30 HydrophobicContact CD1-CB 3.98Å; L22-F30 HydrophobicContact CD1-CD2 4.1Å; L22-F30 HydrophobicContact CD1-CG 4.09Å; E26-F30 WeakPolarHBondContact O-CB 3.48Å; E26-F30 PolarHBondContact O-N 3.33Å; L27-F30 PolarHBondContact O-N 3.18Å; F30-L32 PolarHBondContact O-N 3.37Å; F30-F33 PolarHBondContact O-N 2.97Å; F30-L34 WeakPolarHBondContact O-CB 3.46Å; F30-L34 PolarHBondContact O-N 3.1Å; F30-L58 HydrophobicContact CD1-CD2 4.03Å; F30-L58 HydrophobicContact CE1-CD2 4.28Å; F30-M62 HydrophobicContact CE1-SD 3.85Å; F30-M62 HydrophobicContact CZ-SD 3.99Å; F30-T75 HydrophobicContact CE2-CG2 4.01Å; F30-T75 HydrophobicContact CZ-CG2 3.99Å; F30-I78 HydrophobicContact CB-CG2 4.42Å; F30-I78 HydrophobicContact CD2-CB 4.08Å; F30-I78 HydrophobicContact CD2-CG2 3.31Å; F30-I78 HydrophobicContact CE1-CD1 4.33Å; F30-I78 HydrophobicContact CE2-CB 3.76Å; F30-I78 HydrophobicContact CE2-CD1 4.33Å; F30-I78 HydrophobicContact CE2-CG2 3.54Å; F30-I78 HydrophobicContact CG-CG2 3.88Å; F30-I78 HydrophobicContact CZ-CB 4.33Å; F30-I78 HydrophobicContact CZ-CD1 4.05Å; F30-I78 HydrophobicContact CZ-CG2 4.29Å; F30-F79 AromaticContact CD2-CD1 3.77Å; F30-F79 HydrophobicContact CD2-CD1 3.77Å; F30-F79 AromaticContact CD2-CE1 3.51Å; F30-F79 HydrophobicContact CD2-CE1 3.51Å; F30-F79 AromaticContact CE2-CD1 3.67Å; F30-F79 HydrophobicContact CE2-CD1 3.67Å; F30-F79 AromaticContact CE2-CE1 3.38Å; F30-F79 HydrophobicContact CE2-CE1 3.38Å; F30-F79 HydrophobicContact CE2-CZ 4.18Å; F30-F79 HydrophobicContact CZ-CE1 4.49Å; F30-M82 VanDerWaalsContact CA-SD 3.53Å; F30-M82 HydrophobicContact CB-CE 4.11Å; F30-M82 HydrophobicContact CB-SD 3.66Å; F30-M82 HydrophobicContact CD2-SD 3.8Å; F30-M82 HydrophobicContact CG-SD 4.2Å
31	K	88.3	Confident	76	Confident	13 Å²	13	77.4 Å²	77.4	6%	0.057	38%	0.382	C	S	.	.	H	α-helix	trans	-60.3	-42.5	175.4	-71.8	169.7	176.1	-175.4	0	112.4	L27 N28 T29 L34 K35 W47 V50 K51 A53 L58	L27-K31 WeakPolarHBondContact O-CG 3.41Å; L27-K31 PolarHBondContact O-N 3.01Å; N28-K31 PolarHBondContact O-N 3.36Å; T29-K31 PolarHBondContact O-N 3.24Å; K31-L34 WeakPolarHBondContact O-CB 3.37Å; K31-L34 PolarHBondContact O-N 3.41Å; K31-K35 PolarHBondContact O-N 2.96Å; K31-K35 VanDerWaalsContact O-N 3.1Å; K31-W47 HydrophobicContact CB-CH2 4.28Å; K31-W47 HydrophobicContact CB-CZ3 4.41Å; K31-W47 WeakPolarHBondContact O-CH2 3.37Å; K31-W47 WeakPolarHBondContact O-CZ3 3.33Å; K31-V50 HydrophobicContact CB-CG1 4.05Å; K31-V50 WeakPolarHBondContact CD-O 3.19Å; K31-V50 WeakPolarHBondContact CE-O 3.38Å; K31-V50 HydrophobicContact CG-CG1 3.97Å; K31-V50 PolarHBondContact NZ-O 2.7Å; K31-K51 PolarHBondContact NZ-O 3.5Å; K31-A53 VanDerWaalsContact CE-O 3.32Å; K31-A53 WeakPolarHBondContact CE-O 3.38Å; K31-A53 PolarHBondContact NZ-O 3.15Å; K31-L58 HydrophobicContact CG-CD2 3.89Å
32	L	83.7	Confident	74.5	Confident	94 Å²	94	78 Å²	78	49%	0.492	39%	0.385	S	S	.	.	H	α-helix	trans	-62.8	-46	177.6	-80.1	161	0	0	0	111.8	N28 T29 F30 L34 K35 E36 W47	N28-L32 PolarHBondContact O-N 3.08Å; T29-L32 PolarHBondContact O-N 3.21Å; F30-L32 PolarHBondContact O-N 3.37Å; L32-L34 VanDerWaalsContact C-N 3.32Å; L32-L34 PolarHBondContact O-N 3.06Å; L32-K35 VanDerWaalsContact O-CB 3.25Å; L32-K35 WeakPolarHBondContact O-CB 3.44Å; L32-K35 PolarHBondContact O-N 3.1Å; L32-K35 VanDerWaalsContact O-N 3.16Å; L32-E36 PolarHBondContact O-N 2.89Å; L32-W47 HydrophobicContact CD2-CH2 4.33Å; L32-W47 HydrophobicContact CD2-CZ2 4.32Å
33	F	83.6	Confident	73	Confident	55 Å²	55	80.9 Å²	80.9	24%	0.241	41%	0.414	C	S	.	.	H	α-helix	trans	-67.4	-33.1	175.3	-76.6	-56.8	0	0	0	112.6	T29 F30 K35 E36 T37 I78 K81 M82	T29-F33 HydrophobicContact CG2-CD2 3.81Å; T29-F33 HydrophobicContact CG2-CE2 3.57Å; T29-F33 WeakPolarHBondContact O-CD2 3.04Å; T29-F33 PolarHBondContact O-N 3.33Å; F30-F33 PolarHBondContact O-N 2.97Å; F33-K35 PolarHBondContact O-N 3.44Å; F33-E36 WeakPolarHBondContact CD1-OE2 2.98Å; F33-E36 PolarHBondContact O-N 3.43Å; F33-E36 VanDerWaalsContact O-N 3.14Å; F33-T37 WeakPolarHBondContact O-CB 3.16Å; F33-T37 PolarHBondContact O-N 3.44Å; F33-T37 PolarHBondContact O-OG1 2.91Å; F33-I78 HydrophobicContact CB-CG1 4.33Å; F33-I78 HydrophobicContact CB-CG2 3.76Å; F33-K81 HydrophobicContact CD1-CD 4.1Å; F33-M82 HydrophobicContact CD2-CG 3.71Å; F33-M82 HydrophobicContact CE2-CG 3.94Å
34	L	82.8	Confident	72	Confident	1 Å²	1	82.5 Å²	82.5	1%	0.005	42%	0.422	C	S	.	.	H	α-helix	trans	-59.7	-36.9	172.8	-172.6	64.2	0	0	0	111.2	F30 K31 L32 T37 M38 V50 L58 M62 Y66 V74 I78	F30-L34 WeakPolarHBondContact O-CB 3.46Å; F30-L34 PolarHBondContact O-N 3.1Å; K31-L34 WeakPolarHBondContact O-CB 3.37Å; K31-L34 PolarHBondContact O-N 3.41Å; L32-L34 VanDerWaalsContact C-N 3.32Å; L32-L34 PolarHBondContact O-N 3.06Å; L34-T37 PolarHBondContact O-N 2.75Å; L34-M38 WeakPolarHBondContact O-CG 3.28Å; L34-V50 HydrophobicContact CD2-CG1 4.17Å; L34-L58 HydrophobicContact CD2-CD1 3.97Å; L34-M62 HydrophobicContact CD1-CE 4.13Å; L34-M62 HydrophobicContact CD1-SD 4.21Å; L34-M62 HydrophobicContact CD2-CG 4.22Å; L34-M62 HydrophobicContact CD2-SD 4.23Å; L34-Y66 HydrophobicContact CD1-CE2 4.39Å; L34-V74 HydrophobicContact CD1-CG1 3.77Å; L34-I78 HydrophobicContact CB-CD1 3.85Å; L34-I78 HydrophobicContact CD1-CD1 3.62Å; L34-I78 HydrophobicContact CG-CD1 4.34Å
35	K	78.3	Confident	71.6	Confident	105 Å²	105	74.7 Å²	74.7	46%	0.457	39%	0.388	S	S	.	.	H	α-helix	trans	-64.8	-40.4	173.3	-167.9	-169.2	176	-171.9	0	113.1	K31 L32 F33 T37 M38 W47	K31-K35 PolarHBondContact O-N 2.96Å; K31-K35 VanDerWaalsContact O-N 3.1Å; L32-K35 VanDerWaalsContact O-CB 3.25Å; L32-K35 WeakPolarHBondContact O-CB 3.44Å; L32-K35 PolarHBondContact O-N 3.1Å; L32-K35 VanDerWaalsContact O-N 3.16Å; F33-K35 PolarHBondContact O-N 3.44Å; K35-T37 VanDerWaalsContact C-N 3.32Å; K35-M38 VanDerWaalsContact O-CG 3.32Å; K35-M38 WeakPolarHBondContact O-CG 3.25Å; K35-W47 HydrophobicContact CB-CE3 3.79Å; K35-W47 HydrophobicContact CB-CH2 4.09Å; K35-W47 HydrophobicContact CB-CZ3 3.59Å; K35-W47 HydrophobicContact CD-CD2 3.81Å; K35-W47 HydrophobicContact CD-CE3 3.96Å; K35-W47 HydrophobicContact CD-CG 4.37Å; K35-W47 HydrophobicContact CD-CH2 4.19Å; K35-W47 HydrophobicContact CD-CZ2 4.03Å; K35-W47 HydrophobicContact CD-CZ3 4.17Å; K35-W47 HydrophobicContact CG-CD2 4.12Å; K35-W47 HydrophobicContact CG-CE3 3.83Å; K35-W47 HydrophobicContact CG-CZ3 4.11Å
36	E	71.7	Confident	71.6	Confident	137 Å²	137	69.8 Å²	69.8	64%	0.64	37%	0.37	S	S	*	.	H	α-helix	trans	-75.7	-22.7	-179	-69.4	-179	175.6	0	0	113	L32 F33 M38	L32-E36 PolarHBondContact O-N 2.89Å; F33-E36 WeakPolarHBondContact CD1-OE2 2.98Å; F33-E36 PolarHBondContact O-N 3.43Å; F33-E36 VanDerWaalsContact O-N 3.14Å; E36-M38 VanDerWaalsContact C-N 3.29Å
37	T	63.8	Low	71.3	Confident	37 Å²	37	70.4 Å²	70.4	23%	0.227	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	9.2	-176.8	-36.4	0	0	0	0	112.3	F33 L34 K35 K81	F33-T37 WeakPolarHBondContact O-CB 3.16Å; F33-T37 PolarHBondContact O-N 3.44Å; F33-T37 PolarHBondContact O-OG1 2.91Å; L34-T37 PolarHBondContact O-N 2.75Å; K35-T37 VanDerWaalsContact C-N 3.32Å; T37-K81 PolarHBondContact OG1-NZ 2.83Å
38	M	62.4	Low	70.9	Confident	38 Å²	38	75.6 Å²	75.6	19%	0.187	40%	0.398	C	S	.	.			trans	-85.5	108.3	-178.2	-50.3	-174.6	96.9	0	0	111.1	L34 K35 E36 L44 I45	L34-M38 WeakPolarHBondContact O-CG 3.28Å; K35-M38 VanDerWaalsContact O-CG 3.32Å; K35-M38 WeakPolarHBondContact O-CG 3.25Å; E36-M38 VanDerWaalsContact C-N 3.29Å; M38-L44 HydrophobicContact CB-CD2 3.77Å; M38-L44 HydrophobicContact CE-CD2 4.25Å; M38-L44 HydrophobicContact SD-CD2 4.15Å; M38-I45 HydrophobicContact CE-CB 3.63Å; M38-I45 HydrophobicContact CE-CG1 3.85Å; M38-I45 VanDerWaalsContact CE-N 3.26Å; M38-I45 WeakPolarHBondContact CE-O 3.4Å
39	E	54	Low	70.6	Confident	157 Å²	157	76.1 Å²	76.1	73%	0.734	40%	0.398	S	S	*	.			trans	-90.5	154	171.1	-73.7	-171.7	175	0	0	112	E41	E39-E41 VanDerWaalsContact C-N 3.31Å; E39-E41 PolarHBondContact O-N 2.93Å
40	P	43.8	Very low	70.5	Confident	123 Å²	123	73.6 Å²	73.6	80%	0.799	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-12.3	-166.1	-16.3	30.8	0	0	0	116.2
41	E	45.4	Very low	70.1	Confident	173 Å²	173	80 Å²	80	81%	0.808	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-8.8	-167	-69.3	-168.8	159.6	0	0	114.8	E39	E39-E41 VanDerWaalsContact C-N 3.31Å; E39-E41 PolarHBondContact O-N 2.93Å
42	H	48.5	Very low	69.7	Low	104 Å²	104	88 Å²	88	48%	0.481	45%	0.445	S	S	.	.	S	Bend	trans	-130.1	123.6	176.4	-60.8	-15.2	0	0	0	108.7	L44	H42-L44 PolarHBondContact O-N 3.14Å
43	G	54.1	Low	69.7	Low	61 Å²	61	83.9 Å²	83.9	63%	0.629	42%	0.424	S	S	*	.			trans	-37.4	125.9	-168.8	0	0	0	0	0	115.1	I45 Y65	G43-I45 PolarHBondContact O-N 3.12Å; G43-Y65 WeakPolarHBondContact O-CD1 3.42Å
44	L	61.3	Low	69.6	Low	111 Å²	111	90 Å²	90	58%	0.581	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-64.2	124.2	-175	-70.1	158.3	0	0	0	111.1	M38 H42 P46	M38-L44 HydrophobicContact CB-CD2 3.77Å; M38-L44 HydrophobicContact CE-CD2 4.25Å; M38-L44 HydrophobicContact SD-CD2 4.15Å; H42-L44 PolarHBondContact O-N 3.14Å; L44-P46 VanDerWaalsContact O-CD 3.31Å; L44-P46 WeakPolarHBondContact O-CD 3.49Å
45	I	73.5	Confident	69.6	Low	2 Å²	2	93.6 Å²	93.6	1%	0.01	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-58.4	121	164.8	-43.8	-174.2	0	0	0	107.9	M38 G43 W47 V50 L61 Y65 Y66	M38-I45 HydrophobicContact CE-CB 3.63Å; M38-I45 HydrophobicContact CE-CG1 3.85Å; M38-I45 VanDerWaalsContact CE-N 3.26Å; M38-I45 WeakPolarHBondContact CE-O 3.4Å; G43-I45 PolarHBondContact O-N 3.12Å; I45-W47 PolarHBondContact O-N 3.47Å; I45-W47 VanDerWaalsContact O-N 3.13Å; I45-V50 HydrophobicContact CB-CG2 3.89Å; I45-V50 HydrophobicContact CG2-CG2 3.37Å; I45-L61 HydrophobicContact CG2-CB 4.21Å; I45-L61 HydrophobicContact CG2-CD1 4.39Å; I45-L61 HydrophobicContact CG2-CD2 4.07Å; I45-L61 HydrophobicContact CG2-CG 4.46Å; I45-Y65 HydrophobicContact CB-CD2 4.22Å; I45-Y65 HydrophobicContact CB-CE2 4.43Å; I45-Y65 HydrophobicContact CB-CG 4.39Å; I45-Y65 HydrophobicContact CD1-CD2 4.2Å; I45-Y65 HydrophobicContact CD1-CG 4.28Å; I45-Y65 HydrophobicContact CG1-CD1 4.18Å; I45-Y65 HydrophobicContact CG1-CD2 3.71Å; I45-Y65 HydrophobicContact CG1-CE2 4.39Å; I45-Y65 HydrophobicContact CG1-CG 3.58Å; I45-Y65 HydrophobicContact CG2-CD2 3.95Å; I45-Y65 HydrophobicContact CG2-CE2 3.91Å; I45-Y66 HydrophobicContact CD1-CD2 4.21Å; I45-Y66 HydrophobicContact CD1-CE2 3.71Å; I45-Y66 HydrophobicContact CG1-CE2 4.34Å
46	P	78.2	Confident	69.7	Low	52 Å²	52	92 Å²	92	34%	0.338	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-57.7	122.6	-178.6	-25.7	34.7	0	0	0	111.3	L44 N48 E49 V50 Y65	L44-P46 VanDerWaalsContact O-CD 3.31Å; L44-P46 WeakPolarHBondContact O-CD 3.49Å; P46-N48 PolarHBondContact O-N 2.54Å; P46-N48 VanDerWaalsContact O-N 3.1Å; P46-E49 HydrophobicContact CB-CB 4.41Å; P46-E49 HydrophobicContact CB-CG 4.1Å; P46-E49 WeakPolarHBondContact O-CA 3.35Å; P46-E49 WeakPolarHBondContact O-CB 3.42Å; P46-E49 PolarHBondContact O-N 3.44Å; P46-V50 PolarHBondContact O-N 2.83Å; P46-V50 VanDerWaalsContact O-N 3.16Å; P46-Y65 WeakPolarHBondContact CD-OH 3.07Å
47	W	79.4	Confident	70.2	Confident	70 Å²	70	88.9 Å²	88.9	27%	0.265	44%	0.444	S	S	.	.	H	α-helix	trans	-58	-31.2	-176	178	-119	0	0	0	112.9	K31 L32 K35 I45 E49 V50 K51	K31-W47 HydrophobicContact CB-CH2 4.28Å; K31-W47 HydrophobicContact CB-CZ3 4.41Å; K31-W47 WeakPolarHBondContact O-CH2 3.37Å; K31-W47 WeakPolarHBondContact O-CZ3 3.33Å; L32-W47 HydrophobicContact CD2-CH2 4.33Å; L32-W47 HydrophobicContact CD2-CZ2 4.32Å; K35-W47 HydrophobicContact CB-CE3 3.79Å; K35-W47 HydrophobicContact CB-CH2 4.09Å; K35-W47 HydrophobicContact CB-CZ3 3.59Å; K35-W47 HydrophobicContact CD-CD2 3.81Å; K35-W47 HydrophobicContact CD-CE3 3.96Å; K35-W47 HydrophobicContact CD-CG 4.37Å; K35-W47 HydrophobicContact CD-CH2 4.19Å; K35-W47 HydrophobicContact CD-CZ2 4.03Å; K35-W47 HydrophobicContact CD-CZ3 4.17Å; K35-W47 HydrophobicContact CG-CD2 4.12Å; K35-W47 HydrophobicContact CG-CE3 3.83Å; K35-W47 HydrophobicContact CG-CZ3 4.11Å; I45-W47 PolarHBondContact O-N 3.47Å; I45-W47 VanDerWaalsContact O-N 3.13Å; W47-E49 VanDerWaalsContact C-N 3.29Å; W47-E49 PolarHBondContact O-N 3.29Å; W47-V50 HydrophobicContact CE3-CB 3.97Å; W47-V50 HydrophobicContact CE3-CG1 4Å; W47-V50 HydrophobicContact CZ3-CB 4.16Å; W47-V50 HydrophobicContact CZ3-CG1 3.69Å; W47-V50 PolarHBondContact O-N 3.35Å; W47-K51 WeakPolarHBondContact O-CB 3.47Å; W47-K51 PolarHBondContact O-N 2.9Å
48	N	77.2	Confident	71.2	Confident	120 Å²	120	87.1 Å²	87.1	64%	0.642	43%	0.433	S	S	*	.	H	α-helix	trans	-64.1	-33.2	175.5	-76.4	-17.3	0	0	0	112.9	P46 K52	P46-N48 PolarHBondContact O-N 2.54Å; P46-N48 VanDerWaalsContact O-N 3.1Å; N48-K52 WeakPolarHBondContact O-CG 3.18Å; N48-K52 PolarHBondContact O-N 3Å
49	E	78.8	Confident	72.1	Confident	90 Å²	90	85.4 Å²	85.4	42%	0.421	43%	0.425	S	S	.	.	H	α-helix	trans	-74.1	-48.9	175.1	-66.4	-179.7	-171.2	0	0	110.1	P46 W47 K51 K52 A53 L61	P46-E49 HydrophobicContact CB-CB 4.41Å; P46-E49 HydrophobicContact CB-CG 4.1Å; P46-E49 WeakPolarHBondContact O-CA 3.35Å; P46-E49 WeakPolarHBondContact O-CB 3.42Å; P46-E49 PolarHBondContact O-N 3.44Å; W47-E49 VanDerWaalsContact C-N 3.29Å; W47-E49 PolarHBondContact O-N 3.29Å; E49-K51 VanDerWaalsContact C-N 3.32Å; E49-K51 PolarHBondContact O-N 3.34Å; E49-K52 PolarHBondContact O-N 3.5Å; E49-A53 VanDerWaalsContact O-CB 3.26Å; E49-A53 WeakPolarHBondContact O-CB 3.29Å; E49-A53 PolarHBondContact O-N 3.23Å; E49-L61 HydrophobicContact CB-CD1 4.08Å; E49-L61 WeakPolarHBondContact OE2-CD2 3.46Å
50	V	82.6	Confident	73.3	Confident	2 Å²	2	82.7 Å²	82.7	1%	0.012	42%	0.415	C	S	.	.	H	α-helix	trans	-58.4	-42.2	177.6	178.4	0	0	0	0	112.1	K31 L34 I45 P46 W47 K52 A53 L58	K31-V50 HydrophobicContact CB-CG1 4.05Å; K31-V50 WeakPolarHBondContact CD-O 3.19Å; K31-V50 WeakPolarHBondContact CE-O 3.38Å; K31-V50 HydrophobicContact CG-CG1 3.97Å; K31-V50 PolarHBondContact NZ-O 2.7Å; L34-V50 HydrophobicContact CD2-CG1 4.17Å; I45-V50 HydrophobicContact CB-CG2 3.89Å; I45-V50 HydrophobicContact CG2-CG2 3.37Å; P46-V50 PolarHBondContact O-N 2.83Å; P46-V50 VanDerWaalsContact O-N 3.16Å; W47-V50 HydrophobicContact CE3-CB 3.97Å; W47-V50 HydrophobicContact CE3-CG1 4Å; W47-V50 HydrophobicContact CZ3-CB 4.16Å; W47-V50 HydrophobicContact CZ3-CG1 3.69Å; W47-V50 PolarHBondContact O-N 3.35Å; V50-K52 VanDerWaalsContact C-N 3.33Å; V50-K52 PolarHBondContact O-N 3.17Å; V50-A53 PolarHBondContact O-N 3.47Å; V50-L58 HydrophobicContact CG1-CD1 3.91Å
51	K	80.8	Confident	75.2	Confident	136 Å²	136	77.8 Å²	77.8	59%	0.591	38%	0.382	S	S	*	.	H	α-helix	trans	-62.4	-40.5	-178.9	-171.9	177.9	-178.7	-176.9	0	111.6	K31 W47 E49	K31-K51 PolarHBondContact NZ-O 3.5Å; W47-K51 WeakPolarHBondContact O-CB 3.47Å; W47-K51 PolarHBondContact O-N 2.9Å; E49-K51 VanDerWaalsContact C-N 3.32Å; E49-K51 PolarHBondContact O-N 3.34Å
52	K	79.1	Confident	76.8	Confident	180 Å²	180	69.5 Å²	69.5	78%	0.783	34%	0.343	S	S	*	.	H	α-helix	trans	-89.2	-19.6	-177.8	-66.9	-179.1	-179	-179.4	0	113.9	N48 E49 V50	N48-K52 WeakPolarHBondContact O-CG 3.18Å; N48-K52 PolarHBondContact O-N 3Å; E49-K52 PolarHBondContact O-N 3.5Å; V50-K52 VanDerWaalsContact C-N 3.33Å; V50-K52 PolarHBondContact O-N 3.17Å
53	A	84.3	Confident	78	Confident	7 Å²	7	67.5 Å²	67.5	6%	0.058	33%	0.333	C	S	.	.			trans	-56.6	134.5	-175.8	0	0	0	0	0	112.7	K31 E49 V50 D57 L58 L61	K31-A53 VanDerWaalsContact CE-O 3.32Å; K31-A53 WeakPolarHBondContact CE-O 3.38Å; K31-A53 PolarHBondContact NZ-O 3.15Å; E49-A53 VanDerWaalsContact O-CB 3.26Å; E49-A53 WeakPolarHBondContact O-CB 3.29Å; E49-A53 PolarHBondContact O-N 3.23Å; V50-A53 PolarHBondContact O-N 3.47Å; A53-D57 HydrophobicContact CB-CB 3.77Å; A53-L58 HydrophobicContact CB-CB 4.12Å; A53-L58 HydrophobicContact CB-CD1 4.44Å; A53-L61 HydrophobicContact CB-CD1 3.92Å
54	R	81.3	Confident	79	Confident	184 Å²	184	71.9 Å²	71.9	69%	0.694	34%	0.335	S	S	*	.			trans	-77.8	-179.4	163.2	-65.3	-179.9	-180	-175.6	1.6	109.6	D56 D57 L58	R54-D56 WeakPolarHBondContact CB-OD1 3.49Å; R54-D57 PolarHBondContact N-OD2 3.06Å; R54-D57 VanDerWaalsContact N-OD2 3.13Å; R54-D57 PolarHBondContact O-N 3.03Å; R54-L58 WeakPolarHBondContact O-CB 3.43Å; R54-L58 PolarHBondContact O-N 2.96Å
55	R	83	Confident	79.7	Confident	76 Å²	76	69.5 Å²	69.5	29%	0.287	32%	0.319	S	S	.	.	H	α-helix	trans	-66.4	-41	-170.5	-65.2	-179.3	172.8	87.6	-1.4	112.2	L16 L19 L22 L27 L58 A59	L16-R55 HydrophobicContact CD1-CB 4.21Å; L19-R55 HydrophobicContact CB-CB 4.37Å; L19-R55 WeakPolarHBondContact O-CD 3.38Å; L19-R55 PolarHBondContact O-NE 3.11Å; L19-R55 VanDerWaalsContact O-NE 3.15Å; L22-R55 PolarHBondContact O-NE 3.06Å; L22-R55 PolarHBondContact O-NH2 3.35Å; L27-R55 HydrophobicContact CD1-CG 4Å; L27-R55 HydrophobicContact CD2-CG 3.54Å; L27-R55 HydrophobicContact CG-CG 4.41Å; R55-L58 PolarHBondContact O-N 2.87Å; R55-A59 WeakPolarHBondContact O-CB 3.35Å; R55-A59 PolarHBondContact O-N 3Å
56	D	81	Confident	79.9	Confident	73 Å²	73	70.7 Å²	70.7	39%	0.39	32%	0.323	S	S	.	.	H	α-helix	trans	-60.2	-51.3	169.9	51.3	-35.3	0	0	0	112.1	L16 R54 L58 A59 N60	L16-D56 VanDerWaalsContact CD1-CA 3.48Å; L16-D56 HydrophobicContact CD1-CB 4.12Å; L16-D56 HydrophobicContact CD2-CB 4.37Å; R54-D56 WeakPolarHBondContact CB-OD1 3.49Å; D56-L58 VanDerWaalsContact C-N 3.28Å; D56-L58 PolarHBondContact O-N 3.38Å; D56-A59 PolarHBondContact O-N 3.35Å; D56-N60 PolarHBondContact O-N 3.27Å; D56-N60 PolarHBondContact O-ND2 3.28Å
57	D	81.4	Confident	79	Confident	71 Å²	71	72.7 Å²	72.7	38%	0.38	34%	0.336	S	S	.	.	H	α-helix	trans	-61.2	-39	176.4	-60.9	-42.1	0	0	0	111.7	A53 R54 N60 L61	A53-D57 HydrophobicContact CB-CB 3.77Å; R54-D57 PolarHBondContact N-OD2 3.06Å; R54-D57 VanDerWaalsContact N-OD2 3.13Å; R54-D57 PolarHBondContact O-N 3.03Å; D57-N60 PolarHBondContact O-N 2.95Å; D57-L61 WeakPolarHBondContact O-CB 3.42Å; D57-L61 VanDerWaalsContact O-CG 3.27Å; D57-L61 WeakPolarHBondContact O-CG 3.39Å; D57-L61 PolarHBondContact O-N 3.29Å
58	L	84.3	Confident	78.3	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-69.9	-40.2	-179.5	-172.1	63.9	0	0	0	111.4	L27 F30 K31 L34 V50 A53 R54 R55 D56 N60 L61 M62	L27-L58 HydrophobicContact CD1-CD2 3.99Å; F30-L58 HydrophobicContact CD1-CD2 4.03Å; F30-L58 HydrophobicContact CE1-CD2 4.28Å; K31-L58 HydrophobicContact CG-CD2 3.89Å; L34-L58 HydrophobicContact CD2-CD1 3.97Å; V50-L58 HydrophobicContact CG1-CD1 3.91Å; A53-L58 HydrophobicContact CB-CB 4.12Å; A53-L58 HydrophobicContact CB-CD1 4.44Å; R54-L58 WeakPolarHBondContact O-CB 3.43Å; R54-L58 PolarHBondContact O-N 2.96Å; R55-L58 PolarHBondContact O-N 2.87Å; D56-L58 VanDerWaalsContact C-N 3.28Å; D56-L58 PolarHBondContact O-N 3.38Å; L58-N60 VanDerWaalsContact C-N 3.33Å; L58-L61 PolarHBondContact O-N 3.12Å; L58-M62 WeakPolarHBondContact O-CB 3.2Å; L58-M62 WeakPolarHBondContact O-CG 3.36Å; L58-M62 PolarHBondContact O-N 2.98Å
59	A	81.9	Confident	77.7	Confident	2 Å²	2	72.7 Å²	72.7	2%	0.017	35%	0.352	C	S	.	.	H	α-helix	trans	-60.5	-43.6	172.8	0	0	0	0	0	111.2	L15 L16 L19 R55 D56 M62 K63	L15-A59 HydrophobicContact CD2-CB 4.48Å; L16-A59 HydrophobicContact CB-CB 4.17Å; L16-A59 HydrophobicContact CD1-CB 4.24Å; L19-A59 HydrophobicContact CD1-CB 3.98Å; R55-A59 WeakPolarHBondContact O-CB 3.35Å; R55-A59 PolarHBondContact O-N 3Å; D56-A59 PolarHBondContact O-N 3.35Å; A59-M62 PolarHBondContact O-N 3.47Å; A59-K63 WeakPolarHBondContact O-CG 3.4Å; A59-K63 PolarHBondContact O-N 2.71Å
60	N	80.3	Confident	77.3	Confident	99 Å²	99	74 Å²	74	53%	0.529	36%	0.356	S	S	.	.	H	α-helix	trans	-67.1	-41.7	178	-71.1	-26.8	0	0	0	112.3	D56 D57 L58 M62 K63 K64	D56-N60 PolarHBondContact O-N 3.27Å; D56-N60 PolarHBondContact O-ND2 3.28Å; D57-N60 PolarHBondContact O-N 2.95Å; L58-N60 VanDerWaalsContact C-N 3.33Å; N60-M62 VanDerWaalsContact C-N 3.35Å; N60-K63 PolarHBondContact O-N 3.45Å; N60-K64 VanDerWaalsContact O-CB 3.27Å; N60-K64 WeakPolarHBondContact O-CB 3.43Å; N60-K64 PolarHBondContact O-N 3.5Å
61	L	82.1	Confident	77	Confident	20 Å²	20	74.1 Å²	74.1	11%	0.105	36%	0.357	C	S	.	.	H	α-helix	trans	-60.8	-44.6	172.2	-75.2	169.4	0	0	0	110.8	I45 E49 A53 D57 L58 K63 K64 Y65	I45-L61 HydrophobicContact CG2-CB 4.21Å; I45-L61 HydrophobicContact CG2-CD1 4.39Å; I45-L61 HydrophobicContact CG2-CD2 4.07Å; I45-L61 HydrophobicContact CG2-CG 4.46Å; E49-L61 HydrophobicContact CB-CD1 4.08Å; E49-L61 WeakPolarHBondContact OE2-CD2 3.46Å; A53-L61 HydrophobicContact CB-CD1 3.92Å; D57-L61 WeakPolarHBondContact O-CB 3.42Å; D57-L61 VanDerWaalsContact O-CG 3.27Å; D57-L61 WeakPolarHBondContact O-CG 3.39Å; D57-L61 PolarHBondContact O-N 3.29Å; L58-L61 PolarHBondContact O-N 3.12Å; L61-K63 VanDerWaalsContact C-N 3.35Å; L61-K63 PolarHBondContact O-N 3.13Å; L61-K64 PolarHBondContact O-N 3.12Å; L61-Y65 HydrophobicContact CD2-CD2 4.38Å; L61-Y65 HydrophobicContact CD2-CE2 3.84Å; L61-Y65 VanDerWaalsContact O-CD2 3.29Å; L61-Y65 WeakPolarHBondContact O-CD2 3.35Å; L61-Y65 PolarHBondContact O-N 2.91Å; L61-Y65 VanDerWaalsContact O-N 3.08Å
62	M	80.1	Confident	76.8	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.3	-40.6	177.8	-76.6	-155.7	63.7	0	0	112.6	L15 F30 L34 L58 A59 N60 Y66 V74 T75	L15-M62 HydrophobicContact CD2-CB 4.21Å; L15-M62 HydrophobicContact CD2-SD 4.34Å; F30-M62 HydrophobicContact CE1-SD 3.85Å; F30-M62 HydrophobicContact CZ-SD 3.99Å; L34-M62 HydrophobicContact CD1-CE 4.13Å; L34-M62 HydrophobicContact CD1-SD 4.21Å; L34-M62 HydrophobicContact CD2-CG 4.22Å; L34-M62 HydrophobicContact CD2-SD 4.23Å; L58-M62 WeakPolarHBondContact O-CB 3.2Å; L58-M62 WeakPolarHBondContact O-CG 3.36Å; L58-M62 PolarHBondContact O-N 2.98Å; A59-M62 PolarHBondContact O-N 3.47Å; N60-M62 VanDerWaalsContact C-N 3.35Å; M62-Y66 HydrophobicContact CE-CD2 4.35Å; M62-Y66 WeakPolarHBondContact O-CA 3.46Å; M62-Y66 VanDerWaalsContact O-CB 3.32Å; M62-Y66 WeakPolarHBondContact O-CB 3.49Å; M62-Y66 PolarHBondContact O-N 2.75Å; M62-V74 HydrophobicContact CE-CB 3.97Å; M62-V74 HydrophobicContact CE-CG1 3.8Å; M62-T75 VanDerWaalsContact CE-OG1 3.26Å; M62-T75 WeakPolarHBondContact CE-OG1 3.42Å
63	K	73.9	Confident	76.7	Confident	62 Å²	62	63.3 Å²	63.3	27%	0.27	32%	0.317	S	S	.	.	H	α-helix	trans	-66.6	-40.8	174.6	-72.1	179.7	177.9	-167.6	0	113.2	D12 A59 N60 L61 Y65	D12-K63 PolarHBondContact O-NZ 3.28Å; D12-K63 IonicContact OD1-NZ 3.37Å; D12-K63 PolarHBondContact OD1-NZ 3.01Å; A59-K63 WeakPolarHBondContact O-CG 3.4Å; A59-K63 PolarHBondContact O-N 2.71Å; N60-K63 PolarHBondContact O-N 3.45Å; L61-K63 VanDerWaalsContact C-N 3.35Å; L61-K63 PolarHBondContact O-N 3.13Å; K63-Y65 VanDerWaalsContact C-N 3.34Å; K63-Y65 PolarHBondContact O-N 3.09Å
64	K	75.6	Confident	76.6	Confident	152 Å²	152	64 Å²	64	66%	0.661	32%	0.32	S	S	*	.	H	α-helix	trans	-62.5	-40.4	-179.3	179.9	177	177	-179.5	0	112.2	N60 L61	N60-K64 VanDerWaalsContact O-CB 3.27Å; N60-K64 WeakPolarHBondContact O-CB 3.43Å; N60-K64 PolarHBondContact O-N 3.5Å; L61-K64 PolarHBondContact O-N 3.12Å
65	Y	75.5	Confident	76.6	Confident	61 Å²	61	55.2 Å²	55.2	24%	0.239	29%	0.287	C	S	.	.	H	α-helix	trans	-101.8	-18.7	-174.8	-68.6	-91.9	0	0	0	113.8	G43 I45 P46 L61 K63	G43-Y65 WeakPolarHBondContact O-CD1 3.42Å; I45-Y65 HydrophobicContact CB-CD2 4.22Å; I45-Y65 HydrophobicContact CB-CE2 4.43Å; I45-Y65 HydrophobicContact CB-CG 4.39Å; I45-Y65 HydrophobicContact CD1-CD2 4.2Å; I45-Y65 HydrophobicContact CD1-CG 4.28Å; I45-Y65 HydrophobicContact CG1-CD1 4.18Å; I45-Y65 HydrophobicContact CG1-CD2 3.71Å; I45-Y65 HydrophobicContact CG1-CE2 4.39Å; I45-Y65 HydrophobicContact CG1-CG 3.58Å; I45-Y65 HydrophobicContact CG2-CD2 3.95Å; I45-Y65 HydrophobicContact CG2-CE2 3.91Å; P46-Y65 WeakPolarHBondContact CD-OH 3.07Å; L61-Y65 HydrophobicContact CD2-CD2 4.38Å; L61-Y65 HydrophobicContact CD2-CE2 3.84Å; L61-Y65 VanDerWaalsContact O-CD2 3.29Å; L61-Y65 WeakPolarHBondContact O-CD2 3.35Å; L61-Y65 PolarHBondContact O-N 2.91Å; L61-Y65 VanDerWaalsContact O-N 3.08Å; K63-Y65 VanDerWaalsContact C-N 3.34Å; K63-Y65 PolarHBondContact O-N 3.09Å
66	Y	76.5	Confident	76.5	Confident	27 Å²	27	52.8 Å²	52.8	11%	0.106	28%	0.28	C	S	.	.	S	Bend	trans	-127.3	73.5	174.6	-56.8	-73.9	0	0	0	111.5	L34 I45 M62 A71 V74	L34-Y66 HydrophobicContact CD1-CE2 4.39Å; I45-Y66 HydrophobicContact CD1-CD2 4.21Å; I45-Y66 HydrophobicContact CD1-CE2 3.71Å; I45-Y66 HydrophobicContact CG1-CE2 4.34Å; M62-Y66 HydrophobicContact CE-CD2 4.35Å; M62-Y66 WeakPolarHBondContact O-CA 3.46Å; M62-Y66 VanDerWaalsContact O-CB 3.32Å; M62-Y66 WeakPolarHBondContact O-CB 3.49Å; M62-Y66 PolarHBondContact O-N 2.75Å; Y66-A71 VanDerWaalsContact O-CB 3.23Å; Y66-A71 WeakPolarHBondContact O-CB 3.35Å; Y66-A71 PolarHBondContact O-N 3.43Å; Y66-V74 HydrophobicContact CD1-CG2 4.26Å; Y66-V74 HydrophobicContact CE1-CG2 4.35Å; Y66-V74 HydrophobicContact CG-CG2 4.45Å
67	P	59.7	Low	76.6	Confident	94 Å²	94	55.5 Å²	55.5	61%	0.61	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	148.8	-175.5	25.9	-33.4	0	0	0	113.3
68	G	64.9	Low	76.8	Confident	61 Å²	61	52.1 Å²	52.1	63%	0.629	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	-147.6	178.5	0	0	0	0	0	114.3	K70 A71	G68-K70 PolarHBondContact O-N 3.37Å; G68-K70 VanDerWaalsContact O-N 3.09Å; G68-A71 PolarHBondContact O-N 2.92Å
69	E	63.8	Low	76.8	Confident	130 Å²	130	52.1 Å²	52.1	61%	0.607	27%	0.27	S	S	*	.	H	α-helix	trans	-64	-13.6	179.6	-64.8	-175	171.8	0	0	113.6	F10 A71 W72 S73	F10-E69 HydrophobicContact CE2-CG 3.99Å; E69-A71 PolarHBondContact O-N 3.37Å; E69-W72 PolarHBondContact O-N 2.81Å; E69-S73 PolarHBondContact O-N 3.22Å
70	K	70.8	Confident	76.6	Confident	118 Å²	118	54.2 Å²	54.2	51%	0.513	29%	0.291	S	S	.	.	H	α-helix	trans	-65.6	-37.7	-180	-70.7	-174.6	178.6	-179	0	112.7	G68 W72 S73 V74	G68-K70 PolarHBondContact O-N 3.37Å; G68-K70 VanDerWaalsContact O-N 3.09Å; K70-W72 VanDerWaalsContact C-N 3.3Å; K70-W72 PolarHBondContact O-N 3.03Å; K70-S73 PolarHBondContact O-N 3.16Å; K70-V74 WeakPolarHBondContact O-CG2 3.47Å; K70-V74 PolarHBondContact O-N 2.97Å
71	A	76.4	Confident	76.6	Confident	4 Å²	4	54.5 Å²	54.5	3%	0.033	29%	0.288	C	S	.	.	H	α-helix	trans	-59.2	-43.3	174.2	0	0	0	0	0	111.2	L15 Y66 G68 E69 V74 T75	L15-A71 HydrophobicContact CD1-CB 4.19Å; Y66-A71 VanDerWaalsContact O-CB 3.23Å; Y66-A71 WeakPolarHBondContact O-CB 3.35Å; Y66-A71 PolarHBondContact O-N 3.43Å; G68-A71 PolarHBondContact O-N 2.92Å; E69-A71 PolarHBondContact O-N 3.37Å; A71-V74 PolarHBondContact O-N 3.01Å; A71-T75 WeakPolarHBondContact O-CB 3.32Å; A71-T75 PolarHBondContact O-N 3.47Å; A71-T75 PolarHBondContact O-OG1 2.75Å
72	W	77.7	Confident	76.6	Confident	31 Å²	31	55 Å²	55	12%	0.117	29%	0.29	C	S	.	.	H	α-helix	trans	-65.7	-42.4	175.7	-76.5	105.4	0	0	0	112.5	G14 L15 Y18 E69 K70 V74 T75 L76 A91 I95	G14-W72 VanDerWaalsContact C-CZ2 3.5Å; L15-W72 HydrophobicContact CB-CH2 4.45Å; L15-W72 HydrophobicContact CB-CZ2 4.16Å; L15-W72 HydrophobicContact CD1-CD2 3.62Å; L15-W72 HydrophobicContact CD1-CE3 3.91Å; L15-W72 HydrophobicContact CD1-CG 3.95Å; L15-W72 HydrophobicContact CD1-CZ2 4.26Å; L15-W72 HydrophobicContact CD1-CZ3 4.35Å; Y18-W72 AromaticContact CD2-CH2 3.55Å; Y18-W72 HydrophobicContact CD2-CH2 3.55Å; Y18-W72 AromaticContact CD2-CZ3 3.76Å; Y18-W72 HydrophobicContact CD2-CZ3 3.76Å; Y18-W72 AromaticContact CE2-CH2 3.69Å; Y18-W72 HydrophobicContact CE2-CH2 3.69Å; Y18-W72 AromaticContact CE2-CZ3 3.98Å; Y18-W72 HydrophobicContact CE2-CZ3 3.98Å; Y18-W72 HydrophobicContact CG-CZ3 4.46Å; E69-W72 PolarHBondContact O-N 2.81Å; K70-W72 VanDerWaalsContact C-N 3.3Å; K70-W72 PolarHBondContact O-N 3.03Å; W72-V74 PolarHBondContact O-N 3.19Å; W72-T75 PolarHBondContact O-N 3.4Å; W72-L76 WeakPolarHBondContact O-CB 3.36Å; W72-L76 VanDerWaalsContact O-CG 3.25Å; W72-L76 WeakPolarHBondContact O-CG 3.27Å; W72-L76 PolarHBondContact O-N 2.93Å; W72-A91 HydrophobicContact CZ3-CB 4Å; W72-I95 HydrophobicContact CB-CD1 4.12Å; W72-I95 HydrophobicContact CD2-CD1 4.22Å; W72-I95 HydrophobicContact CE3-CD1 4.14Å; W72-I95 HydrophobicContact CG-CD1 4.25Å
73	S	76.6	Confident	76.5	Confident	58 Å²	58	60.5 Å²	60.5	41%	0.406	32%	0.319	S	S	.	.	H	α-helix	trans	-59.7	-44.1	176.9	-171.9	0	0	0	0	112.5	E69 K70 K77	E69-S73 PolarHBondContact O-N 3.22Å; K70-S73 PolarHBondContact O-N 3.16Å; S73-K77 WeakPolarHBondContact O-CB 3.49Å; S73-K77 WeakPolarHBondContact O-CG 3.35Å; S73-K77 PolarHBondContact O-N 3.03Å
74	V	81.3	Confident	76.8	Confident	21 Å²	21	59 Å²	59	13%	0.127	31%	0.314	C	S	.	.	H	α-helix	trans	-66.7	-45.7	177	174.9	0	0	0	0	110.7	L34 M62 Y66 K70 A71 W72 L76 K77 I78	L34-V74 HydrophobicContact CD1-CG1 3.77Å; M62-V74 HydrophobicContact CE-CB 3.97Å; M62-V74 HydrophobicContact CE-CG1 3.8Å; Y66-V74 HydrophobicContact CD1-CG2 4.26Å; Y66-V74 HydrophobicContact CE1-CG2 4.35Å; Y66-V74 HydrophobicContact CG-CG2 4.45Å; K70-V74 WeakPolarHBondContact O-CG2 3.47Å; K70-V74 PolarHBondContact O-N 2.97Å; A71-V74 PolarHBondContact O-N 3.01Å; W72-V74 PolarHBondContact O-N 3.19Å; V74-L76 PolarHBondContact O-N 3.44Å; V74-K77 PolarHBondContact O-N 2.98Å; V74-I78 HydrophobicContact CG1-CD1 3.87Å; V74-I78 WeakPolarHBondContact O-CG1 3.39Å; V74-I78 PolarHBondContact O-N 3.21Å
75	T	82.5	Confident	76.7	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.5	-45	177.5	-63.6	0	0	0	0	112	F30 M62 A71 W72 K77 I78 F79	F30-T75 HydrophobicContact CE2-CG2 4.01Å; F30-T75 HydrophobicContact CZ-CG2 3.99Å; M62-T75 VanDerWaalsContact CE-OG1 3.26Å; M62-T75 WeakPolarHBondContact CE-OG1 3.42Å; A71-T75 WeakPolarHBondContact O-CB 3.32Å; A71-T75 PolarHBondContact O-N 3.47Å; A71-T75 PolarHBondContact O-OG1 2.75Å; W72-T75 PolarHBondContact O-N 3.4Å; T75-K77 PolarHBondContact O-N 2.98Å; T75-I78 PolarHBondContact O-N 3.13Å; T75-F79 HydrophobicContact CG2-CD2 4.02Å; T75-F79 HydrophobicContact CG2-CE1 4.19Å; T75-F79 HydrophobicContact CG2-CE2 3.56Å; T75-F79 HydrophobicContact CG2-CZ 3.66Å; T75-F79 WeakPolarHBondContact O-CG 3.39Å; T75-F79 PolarHBondContact O-N 3.34Å
76	L	80.7	Confident	76.6	Confident	25 Å²	25	61.3 Å²	61.3	13%	0.131	33%	0.33	C	S	.	.	H	α-helix	trans	-64.8	-38.4	177.1	-72.9	172.3	0	0	0	112.5	W72 V74 I78 G80 A91 K92 I95	W72-L76 WeakPolarHBondContact O-CB 3.36Å; W72-L76 VanDerWaalsContact O-CG 3.25Å; W72-L76 WeakPolarHBondContact O-CG 3.27Å; W72-L76 PolarHBondContact O-N 2.93Å; V74-L76 PolarHBondContact O-N 3.44Å; L76-I78 VanDerWaalsContact C-N 3.33Å; L76-G80 PolarHBondContact O-N 3.18Å; L76-A91 HydrophobicContact CD2-CB 3.7Å; L76-K92 HydrophobicContact CD1-CG 4.07Å; L76-K92 HydrophobicContact CD2-CG 4.14Å; L76-I95 HydrophobicContact CD1-CD1 3.88Å
77	K	81.9	Confident	76.6	Confident	130 Å²	130	60.7 Å²	60.7	57%	0.565	33%	0.329	S	S	*	.	H	α-helix	trans	-61.4	-42.7	172.9	-80.9	178.7	-179.1	179.3	0	111.3	S73 V74 T75 G80 K81	S73-K77 WeakPolarHBondContact O-CB 3.49Å; S73-K77 WeakPolarHBondContact O-CG 3.35Å; S73-K77 PolarHBondContact O-N 3.03Å; V74-K77 PolarHBondContact O-N 2.98Å; T75-K77 PolarHBondContact O-N 2.98Å; K77-G80 PolarHBondContact O-N 3.48Å; K77-K81 WeakPolarHBondContact O-CG 3.42Å; K77-K81 PolarHBondContact O-N 3.16Å
78	I	86.4	Confident	77.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-70.3	-44.2	179.5	-65	167.3	0	0	0	111.1	F30 F33 L34 V74 T75 L76 G80 K81 M82	F30-I78 HydrophobicContact CB-CG2 4.42Å; F30-I78 HydrophobicContact CD2-CB 4.08Å; F30-I78 HydrophobicContact CD2-CG2 3.31Å; F30-I78 HydrophobicContact CE1-CD1 4.33Å; F30-I78 HydrophobicContact CE2-CB 3.76Å; F30-I78 HydrophobicContact CE2-CD1 4.33Å; F30-I78 HydrophobicContact CE2-CG2 3.54Å; F30-I78 HydrophobicContact CG-CG2 3.88Å; F30-I78 HydrophobicContact CZ-CB 4.33Å; F30-I78 HydrophobicContact CZ-CD1 4.05Å; F30-I78 HydrophobicContact CZ-CG2 4.29Å; F33-I78 HydrophobicContact CB-CG1 4.33Å; F33-I78 HydrophobicContact CB-CG2 3.76Å; L34-I78 HydrophobicContact CB-CD1 3.85Å; L34-I78 HydrophobicContact CD1-CD1 3.62Å; L34-I78 HydrophobicContact CG-CD1 4.34Å; V74-I78 HydrophobicContact CG1-CD1 3.87Å; V74-I78 WeakPolarHBondContact O-CG1 3.39Å; V74-I78 PolarHBondContact O-N 3.21Å; T75-I78 PolarHBondContact O-N 3.13Å; L76-I78 VanDerWaalsContact C-N 3.33Å; I78-G80 PolarHBondContact O-N 3.43Å; I78-K81 CarbonylContact O-C 3.44Å; I78-K81 WeakPolarHBondContact O-CB 3.35Å; I78-K81 PolarHBondContact O-N 2.67Å; I78-M82 HydrophobicContact CG2-CG 4.28Å; I78-M82 HydrophobicContact CG2-SD 3.75Å; I78-M82 WeakPolarHBondContact O-CG 3.13Å; I78-M82 PolarHBondContact O-N 3.28Å
79	F	85.1	Confident	77.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.4	-38	172.8	-70.6	-14.9	0	0	0	112.2	L22 F30 T75 M82 N83 L84 L87 C88	L22-F79 HydrophobicContact CD1-CE1 4.04Å; L22-F79 HydrophobicContact CD2-CE1 3.93Å; L22-F79 HydrophobicContact CG-CE1 4.35Å; F30-F79 AromaticContact CD2-CD1 3.77Å; F30-F79 HydrophobicContact CD2-CD1 3.77Å; F30-F79 AromaticContact CD2-CE1 3.51Å; F30-F79 HydrophobicContact CD2-CE1 3.51Å; F30-F79 AromaticContact CE2-CD1 3.67Å; F30-F79 HydrophobicContact CE2-CD1 3.67Å; F30-F79 AromaticContact CE2-CE1 3.38Å; F30-F79 HydrophobicContact CE2-CE1 3.38Å; F30-F79 HydrophobicContact CE2-CZ 4.18Å; F30-F79 HydrophobicContact CZ-CE1 4.49Å; T75-F79 HydrophobicContact CG2-CD2 4.02Å; T75-F79 HydrophobicContact CG2-CE1 4.19Å; T75-F79 HydrophobicContact CG2-CE2 3.56Å; T75-F79 HydrophobicContact CG2-CZ 3.66Å; T75-F79 WeakPolarHBondContact O-CG 3.39Å; T75-F79 PolarHBondContact O-N 3.34Å; F79-M82 PolarHBondContact O-N 2.87Å; F79-N83 PolarHBondContact O-N 3.49Å; F79-N83 VanDerWaalsContact O-N 3.16Å; F79-L84 HydrophobicContact CB-CB 4.45Å; F79-L84 HydrophobicContact CD1-CD1 4.19Å; F79-L84 PolarHBondContact O-N 3.05Å; F79-L87 HydrophobicContact CD2-CB 4.28Å; F79-L87 HydrophobicContact CE2-CB 4.42Å; F79-C88 HydrophobicContact CB-CB 4.27Å
80	G	76.5	Confident	78.2	Confident	45 Å²	45	57.5 Å²	57.5	46%	0.464	29%	0.287	S	S	.	.	H	α-helix	trans	-60	-45.6	171.1	0	0	0	0	0	113	L76 K77 I78 M82 N83	L76-G80 PolarHBondContact O-N 3.18Å; K77-G80 PolarHBondContact O-N 3.48Å; I78-G80 PolarHBondContact O-N 3.43Å; G80-M82 VanDerWaalsContact C-N 3.33Å; G80-M82 PolarHBondContact O-N 3.24Å; G80-N83 PolarHBondContact O-N 3.47Å
81	K	80.9	Confident	78.1	Confident	106 Å²	106	51.9 Å²	51.9	46%	0.461	26%	0.263	S	S	.	.	H	α-helix	trans	-65.3	-34.3	175.6	-72.9	-179	178.8	-179.5	0	113	F33 T37 K77 I78 N83	F33-K81 HydrophobicContact CD1-CD 4.1Å; T37-K81 PolarHBondContact OG1-NZ 2.83Å; K77-K81 WeakPolarHBondContact O-CG 3.42Å; K77-K81 PolarHBondContact O-N 3.16Å; I78-K81 CarbonylContact O-C 3.44Å; I78-K81 WeakPolarHBondContact O-CB 3.35Å; I78-K81 PolarHBondContact O-N 2.67Å; K81-N83 PolarHBondContact O-N 2.69Å
82	M	81.3	Confident	77.7	Confident	29 Å²	29	56.9 Å²	56.9	14%	0.143	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-0.6	176.7	-67.2	173.4	63.7	0	0	113.4	E26 T29 F30 F33 I78 F79 G80 L84	E26-M82 HydrophobicContact CB-CE 3.91Å; E26-M82 HydrophobicContact CG-CE 4.45Å; E26-M82 WeakPolarHBondContact O-CE 3.44Å; T29-M82 HydrophobicContact CG2-CE 4.31Å; T29-M82 HydrophobicContact CG2-CG 4.22Å; F30-M82 VanDerWaalsContact CA-SD 3.53Å; F30-M82 HydrophobicContact CB-CE 4.11Å; F30-M82 HydrophobicContact CB-SD 3.66Å; F30-M82 HydrophobicContact CD2-SD 3.8Å; F30-M82 HydrophobicContact CG-SD 4.2Å; F33-M82 HydrophobicContact CD2-CG 3.71Å; F33-M82 HydrophobicContact CE2-CG 3.94Å; I78-M82 HydrophobicContact CG2-CG 4.28Å; I78-M82 HydrophobicContact CG2-SD 3.75Å; I78-M82 WeakPolarHBondContact O-CG 3.13Å; I78-M82 PolarHBondContact O-N 3.28Å; F79-M82 PolarHBondContact O-N 2.87Å; G80-M82 VanDerWaalsContact C-N 3.33Å; G80-M82 PolarHBondContact O-N 3.24Å; M82-L84 HydrophobicContact CB-CD1 4.1Å; M82-L84 HydrophobicContact CB-CG 4.05Å; M82-L84 HydrophobicContact CE-CD1 3.78Å; M82-L84 PolarHBondContact O-N 3.01Å; M82-L84 HydrophobicContact SD-CD1 4.45Å
83	N	77.9	Confident	77.1	Confident	116 Å²	116	60.2 Å²	60.2	62%	0.62	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	23.9	-178.8	-140.9	12.8	0	0	0	114.2	F79 G80 K81 K85	F79-N83 PolarHBondContact O-N 3.49Å; F79-N83 VanDerWaalsContact O-N 3.16Å; G80-N83 PolarHBondContact O-N 3.47Å; K81-N83 PolarHBondContact O-N 2.69Å; N83-K85 VanDerWaalsContact C-N 3.3Å; N83-K85 PolarHBondContact O-N 3.11Å; N83-K85 WeakPolarHBondContact OD1-CE 3.42Å
84	L	81.5	Confident	76.5	Confident	32 Å²	32	61.4 Å²	61.4	17%	0.168	30%	0.3	C	S	.	.			trans	-84.1	69.1	177.6	-66.1	175	0	0	0	110.5	L22 F79 M82 D86 L87 C88	L22-L84 HydrophobicContact CD2-CD1 3.48Å; L22-L84 VanDerWaalsContact CD2-CD1 3.48Å; F79-L84 HydrophobicContact CB-CB 4.45Å; F79-L84 HydrophobicContact CD1-CD1 4.19Å; F79-L84 PolarHBondContact O-N 3.05Å; M82-L84 HydrophobicContact CB-CD1 4.1Å; M82-L84 HydrophobicContact CB-CG 4.05Å; M82-L84 HydrophobicContact CE-CD1 3.78Å; M82-L84 PolarHBondContact O-N 3.01Å; M82-L84 HydrophobicContact SD-CD1 4.45Å; L84-D86 PolarHBondContact O-N 3.23Å; L84-L87 HydrophobicContact CB-CB 4.42Å; L84-L87 HydrophobicContact CB-CD1 4.21Å; L84-L87 HydrophobicContact CD1-CD1 3.99Å; L84-L87 HydrophobicContact CD2-CD1 4.47Å; L84-L87 HydrophobicContact CG-CD1 4.46Å; L84-C88 WeakPolarHBondContact O-CB 3.34Å; L84-C88 PolarHBondContact O-N 3.4Å; L84-C88 VanDerWaalsContact O-N 3.14Å
85	K	73.1	Confident	75.6	Confident	151 Å²	151	62.3 Å²	62.3	66%	0.657	30%	0.303	S	S	*	.	H	α-helix	trans	-64.2	-35.7	-171.2	-67.5	-176.3	-179.8	179.1	0	113.7	N83 C88 Q89	N83-K85 VanDerWaalsContact C-N 3.3Å; N83-K85 PolarHBondContact O-N 3.11Å; N83-K85 WeakPolarHBondContact OD1-CE 3.42Å; K85-C88 PolarHBondContact O-N 3.32Å; K85-Q89 WeakPolarHBondContact O-CB 3.47Å; K85-Q89 PolarHBondContact O-N 3.35Å
86	D	73.8	Confident	74.1	Confident	109 Å²	109	66.9 Å²	66.9	58%	0.583	33%	0.328	S	S	*	.	H	α-helix	trans	-65.4	-51.7	180	-172.6	71.2	0	0	0	112.1	L84 C88 Q89 R90	L84-D86 PolarHBondContact O-N 3.23Å; D86-C88 VanDerWaalsContact C-N 3.32Å; D86-C88 PolarHBondContact O-N 3.17Å; D86-Q89 PolarHBondContact O-N 3.4Å; D86-R90 WeakPolarHBondContact O-CG 3.33Å; D86-R90 PolarHBondContact O-N 2.97Å; D86-R90 WeakPolarHBondContact OD2-CD 3.49Å; D86-R90 IonicContact OD2-NH1 2.8Å
87	L	76.8	Confident	72.4	Confident	14 Å²	14	75.8 Å²	75.8	7%	0.073	36%	0.36	C	S	.	.	H	α-helix	trans	-59.4	-40.8	174.8	-78.3	159.1	0	0	0	112.3	Y18 E21 L22 F79 L84 Q89 A91	Y18-L87 HydrophobicContact CD1-CD2 3.68Å; Y18-L87 HydrophobicContact CE1-CD2 4.38Å; E21-L87 HydrophobicContact CB-CD2 3.9Å; E21-L87 HydrophobicContact CG-CD2 4.44Å; E21-L87 VanDerWaalsContact OE2-CD2 3.3Å; E21-L87 WeakPolarHBondContact OE2-CD2 3.42Å; L22-L87 HydrophobicContact CD2-CD1 4.08Å; F79-L87 HydrophobicContact CD2-CB 4.28Å; F79-L87 HydrophobicContact CE2-CB 4.42Å; L84-L87 HydrophobicContact CB-CB 4.42Å; L84-L87 HydrophobicContact CB-CD1 4.21Å; L84-L87 HydrophobicContact CD1-CD1 3.99Å; L84-L87 HydrophobicContact CD2-CD1 4.47Å; L84-L87 HydrophobicContact CG-CD1 4.46Å; L87-Q89 VanDerWaalsContact C-N 3.32Å; L87-Q89 PolarHBondContact O-N 3.29Å; L87-A91 VanDerWaalsContact O-CB 3.25Å; L87-A91 WeakPolarHBondContact O-CB 3.42Å; L87-A91 PolarHBondContact O-N 3.09Å
88	C	74.8	Confident	70.8	Confident	13 Å²	13	72.6 Å²	72.6	9%	0.088	35%	0.354	C	S	.	.	H	α-helix	trans	-67.7	-33.1	178.9	-164.7	0	0	0	0	112.1	F79 L84 K85 D86 K92	F79-C88 HydrophobicContact CB-CB 4.27Å; L84-C88 WeakPolarHBondContact O-CB 3.34Å; L84-C88 PolarHBondContact O-N 3.4Å; L84-C88 VanDerWaalsContact O-N 3.14Å; K85-C88 PolarHBondContact O-N 3.32Å; D86-C88 VanDerWaalsContact C-N 3.32Å; D86-C88 PolarHBondContact O-N 3.17Å; C88-K92 WeakPolarHBondContact O-CB 3.45Å; C88-K92 WeakPolarHBondContact O-CD 3.44Å; C88-K92 WeakPolarHBondContact O-CG 3.37Å; C88-K92 PolarHBondContact O-N 3.15Å
89	Q	72.1	Confident	68.6	Low	116 Å²	116	76.5 Å²	76.5	54%	0.542	39%	0.386	S	S	.	.	H	α-helix	trans	-76.5	-45.8	177.8	-176.7	151.6	-6.3	0	0	111.6	K85 D86 L87 A91 K92 E93	K85-Q89 WeakPolarHBondContact O-CB 3.47Å; K85-Q89 PolarHBondContact O-N 3.35Å; D86-Q89 PolarHBondContact O-N 3.4Å; L87-Q89 VanDerWaalsContact C-N 3.32Å; L87-Q89 PolarHBondContact O-N 3.29Å; Q89-A91 PolarHBondContact O-N 2.99Å; Q89-K92 PolarHBondContact O-N 3.36Å; Q89-K92 VanDerWaalsContact O-N 3.15Å; Q89-E93 HydrophobicContact CG-CG 4.48Å; Q89-E93 VanDerWaalsContact CG-OE1 3.24Å; Q89-E93 WeakPolarHBondContact CG-OE1 3.48Å; Q89-E93 PolarHBondContact NE2-OE1 3.12Å; Q89-E93 VanDerWaalsContact NE2-OE1 3.12Å; Q89-E93 WeakPolarHBondContact O-CG 3.34Å; Q89-E93 PolarHBondContact O-N 3.43Å
90	R	73.4	Confident	66.3	Low	89 Å²	89	84.4 Å²	84.4	34%	0.336	42%	0.423	S	S	.	.	H	α-helix	trans	-59.1	-44.9	174.9	-72.8	168.8	55.6	-150.7	-9.6	112.6	Y18 E21 D86 K92 E93 E94	Y18-R90 HydrophobicContact CE1-CB 4.11Å; Y18-R90 PolarHBondContact OH-O 3.17Å; E21-R90 IonicContact OE1-CZ 3.44Å; E21-R90 IonicContact OE1-NH1 3.06Å; E21-R90 IonicContact OE1-NH2 2.73Å; E21-R90 PolarHBondContact OE1-NH2 3.34Å; E21-R90 IonicContact OE2-CZ 3.92Å; E21-R90 IonicContact OE2-NH1 2.71Å; E21-R90 PolarHBondContact OE2-NH1 3.1Å; E21-R90 IonicContact OE2-NH2 2.59Å; E21-R90 PolarHBondContact OE2-NH2 3.36Å; D86-R90 WeakPolarHBondContact O-CG 3.33Å; D86-R90 PolarHBondContact O-N 2.97Å; D86-R90 WeakPolarHBondContact OD2-CD 3.49Å; D86-R90 IonicContact OD2-NH1 2.8Å; R90-K92 VanDerWaalsContact C-N 3.33Å; R90-K92 PolarHBondContact O-N 3.09Å; R90-E93 PolarHBondContact O-N 3.5Å; R90-E94 PolarHBondContact O-N 3.31Å
91	A	68.5	Low	64.2	Low	0 Å²	0	86.6 Å²	86.6	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-64	-35.5	176.1	0	0	0	0	0	112.7	Y18 W72 L76 L87 Q89 I95	Y18-A91 HydrophobicContact CD1-CB 4.16Å; Y18-A91 HydrophobicContact CE1-CB 3.76Å; Y18-A91 HydrophobicContact CE2-CB 4.33Å; Y18-A91 WeakPolarHBondContact OH-CA 3.5Å; Y18-A91 PolarHBondContact OH-N 3.08Å; W72-A91 HydrophobicContact CZ3-CB 4Å; L76-A91 HydrophobicContact CD2-CB 3.7Å; L87-A91 VanDerWaalsContact O-CB 3.25Å; L87-A91 WeakPolarHBondContact O-CB 3.42Å; L87-A91 PolarHBondContact O-N 3.09Å; Q89-A91 PolarHBondContact O-N 2.99Å; A91-I95 VanDerWaalsContact O-CD1 3.3Å; A91-I95 WeakPolarHBondContact O-CD1 3.34Å; A91-I95 WeakPolarHBondContact O-CG1 3.42Å; A91-I95 PolarHBondContact O-N 3.17Å; A91-I95 VanDerWaalsContact O-N 3.14Å
92	K	69.4	Low	61.9	Low	109 Å²	109	90 Å²	90	47%	0.474	45%	0.453	S	S	.	.	H	α-helix	trans	-72.1	-36.5	174.7	-76.9	171.8	-175.6	174.9	0	112.8	L76 C88 Q89 R90 I95 N96	L76-K92 HydrophobicContact CD1-CG 4.07Å; L76-K92 HydrophobicContact CD2-CG 4.14Å; C88-K92 WeakPolarHBondContact O-CB 3.45Å; C88-K92 WeakPolarHBondContact O-CD 3.44Å; C88-K92 WeakPolarHBondContact O-CG 3.37Å; C88-K92 PolarHBondContact O-N 3.15Å; Q89-K92 PolarHBondContact O-N 3.36Å; Q89-K92 VanDerWaalsContact O-N 3.15Å; R90-K92 VanDerWaalsContact C-N 3.33Å; R90-K92 PolarHBondContact O-N 3.09Å; K92-I95 PolarHBondContact O-N 2.84Å; K92-N96 WeakPolarHBondContact O-CB 3.46Å; K92-N96 PolarHBondContact O-N 3.46Å; K92-N96 PolarHBondContact O-ND2 2.97Å
93	E	63.9	Low	59.3	Low	101 Å²	101	91.9 Å²	91.9	47%	0.472	48%	0.48	S	S	.	.	H	α-helix	trans	-66.7	-37.7	176	-74.1	169.7	-172	0	0	111	Q89 R90 N96 W97	Q89-E93 HydrophobicContact CG-CG 4.48Å; Q89-E93 VanDerWaalsContact CG-OE1 3.24Å; Q89-E93 WeakPolarHBondContact CG-OE1 3.48Å; Q89-E93 PolarHBondContact NE2-OE1 3.12Å; Q89-E93 VanDerWaalsContact NE2-OE1 3.12Å; Q89-E93 WeakPolarHBondContact O-CG 3.34Å; Q89-E93 PolarHBondContact O-N 3.43Å; R90-E93 PolarHBondContact O-N 3.5Å; E93-N96 PolarHBondContact O-N 3.49Å; E93-W97 WeakPolarHBondContact O-CB 3.31Å; E93-W97 PolarHBondContact O-N 3.07Å
94	E	64	Low	57.6	Low	83 Å²	83	92 Å²	92	39%	0.388	49%	0.487	S	S	.	.	H	α-helix	trans	-69.6	-38.1	175.1	-164.6	174.9	175.9	0	0	112.9	Y18 R90 N96 S98	Y18-E94 WeakPolarHBondContact CE2-OE2 3.37Å; Y18-E94 VanDerWaalsContact CZ-OE2 3.28Å; Y18-E94 PolarHBondContact OH-OE2 2.97Å; R90-E94 PolarHBondContact O-N 3.31Å; E94-N96 VanDerWaalsContact C-N 3.32Å; E94-S98 PolarHBondContact O-N 2.94Å; E94-S98 PolarHBondContact O-OG 2.98Å
95	I	63.1	Low	54.9	Low	40 Å²	40	97.5 Å²	97.5	21%	0.205	52%	0.516	C	S	.	.	H	α-helix	trans	-65.2	-35.5	171.2	-67.5	163.9	0	0	0	111.1	W72 L76 A91 K92 S98	W72-I95 HydrophobicContact CB-CD1 4.12Å; W72-I95 HydrophobicContact CD2-CD1 4.22Å; W72-I95 HydrophobicContact CE3-CD1 4.14Å; W72-I95 HydrophobicContact CG-CD1 4.25Å; L76-I95 HydrophobicContact CD1-CD1 3.88Å; A91-I95 VanDerWaalsContact O-CD1 3.3Å; A91-I95 WeakPolarHBondContact O-CD1 3.34Å; A91-I95 WeakPolarHBondContact O-CG1 3.42Å; A91-I95 PolarHBondContact O-N 3.17Å; A91-I95 VanDerWaalsContact O-N 3.14Å; K92-I95 PolarHBondContact O-N 2.84Å; I95-S98 PolarHBondContact O-OG 3.42Å; I95-S98 VanDerWaalsContact O-OG 3.05Å
96	N	51.5	Low	52.7	Low	97 Å²	97	97.6 Å²	97.6	52%	0.519	52%	0.524	S	S	.	.	H	α-helix	trans	-81.2	-28.9	179	-78.1	-17.5	0	0	0	113.6	K92 E93 E94 S98 A99 Q100	K92-N96 WeakPolarHBondContact O-CB 3.46Å; K92-N96 PolarHBondContact O-N 3.46Å; K92-N96 PolarHBondContact O-ND2 2.97Å; E93-N96 PolarHBondContact O-N 3.49Å; E94-N96 VanDerWaalsContact C-N 3.32Å; N96-S98 VanDerWaalsContact C-N 3.34Å; N96-A99 PolarHBondContact O-N 3.46Å; N96-Q100 PolarHBondContact O-N 2.91Å
97	W	44.6	Very low	50.3	Low	211 Å²	211	96.4 Å²	96.4	80%	0.799	53%	0.53	S	S	*	.	H	α-helix	trans	-66.8	-37.3	177.2	-156.1	-43.4	0	0	0	111.2	E93 A99 Q100	E93-W97 WeakPolarHBondContact O-CB 3.31Å; E93-W97 PolarHBondContact O-N 3.07Å; W97-A99 PolarHBondContact O-N 3.36Å; W97-Q100 PolarHBondContact O-N 3.24Å
98	S	48.9	Very low	47.9	Very low	64 Å²	64	105.4 Å²	105.4	45%	0.448	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69	-11.7	175.8	40.1	0	0	0	0	113.9	E94 I95 N96	E94-S98 PolarHBondContact O-N 2.94Å; E94-S98 PolarHBondContact O-OG 2.98Å; I95-S98 PolarHBondContact O-OG 3.42Å; I95-S98 VanDerWaalsContact O-OG 3.05Å; N96-S98 VanDerWaalsContact C-N 3.34Å
99	A	40.5	Very low	45.6	Very low	82 Å²	82	111.7 Å²	111.7	68%	0.678	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	-6.1	177.9	0	0	0	0	0	115	N96 W97	N96-A99 PolarHBondContact O-N 3.46Å; W97-A99 PolarHBondContact O-N 3.36Å
100	Q	35.1	Very low	43.4	Very low	165 Å²	165	109.3 Å²	109.3	77%	0.771	61%	0.612	S	S	*	*			trans	-119	12.1	-170.3	-76.3	-171.1	-10.1	0	0	116.5	N96 W97	N96-Q100 PolarHBondContact O-N 2.91Å; W97-Q100 PolarHBondContact O-N 3.24Å
101	S	33.9	Very low	41.2	Very low	91 Å²	91	111.6 Å²	111.6	64%	0.636	64%	0.636	S	S	*	*			trans	-99	84.3	164.2	62.6	0	0	0	0	110.3
102	I	30.9	Very low	39.2	Very low	178 Å²	178	117.4 Å²	117.4	91%	0.913	67%	0.671	S	S	*	*			trans	-177.4	109.3	136	-82.1	144.7	0	0	0	106.7
103	G	28.3	Very low	37.4	Very low	68 Å²	68	120.9 Å²	120.9	70%	0.701	69%	0.689	S	S	*	*			trans	-159.5	149	170.3	0	0	0	0	0	108.8
104	P	40.8	Very low	35.9	Very low	119 Å²	119	123.2 Å²	123.2	77%	0.773	71%	0.705	S	S	*	*			trans	-97.5	148.5	-133.3	36.1	-33	0	0	0	113.6
105	D	26.2	Very low	34.4	Very low	148 Å²	148	127.6 Å²	127.6	79%	0.791	73%	0.726	S	S	*	*				-177.9	139.1	129.2	-96.2	-21	0	0	0	112.9
106	D	25.4	Very low	32.6	Very low	152 Å²	152	134.8 Å²	134.8	81%	0.813	76%	0.758	S	S	*	*			trans	69.7	100.5	152.1	-72.2	-25.7	0	0	0	123.1
107	A	24	Very low	31.9	Very low	85 Å²	85	134 Å²	134	70%	0.702	77%	0.765	S	S	*	*				114.6	105.6	106.6	0	0	0	0	0	116.6
108	K	26.6	Very low	31.7	Very low	202 Å²	202	127.7 Å²	127.7	88%	0.878	75%	0.75	S	S	*	*			trans	31.4	116.2	134.4	-63.9	179.4	175.8	175.4	0	116.3
109	V	26.7	Very low	31.3	Very low	146 Å²	146	130.7 Å²	130.7	89%	0.885	76%	0.76	S	S	*	*				172.6	124.6	97.3	160.9	0	0	0	0	108.3
110	G	26.1	Very low	31.4	Very low	66 Å²	66	129.2 Å²	129.2	68%	0.68	75%	0.753	S	S	*	*			trans	85.9	98.1	145.7	0	0	0	0	0	116.8
111	V	27.1	Very low	32.3	Very low	136 Å²	136	124.1 Å²	124.1	82%	0.824	73%	0.731	S	S	*	*				-154.8	111.2	107	171.7	0	0	0	0	107.3
112	T	27.1	Very low	33.6	Very low	122 Å²	122	120.3 Å²	120.3	75%	0.748	71%	0.706	S	S	*	*			trans	31.9	118.3	154.9	51.2	0	0	0	0	120.7	D114	T112-D114 PolarHBondContact O-N 3.01Å
113	Q	31.5	Very low	35.5	Very low	182 Å²	182	116 Å²	116	85%	0.85	69%	0.688	S	S	*	*	S	Bend	trans	-26.4	118.5	144.1	-70.2	164.3	-44.2	0	0	111.6
114	D	31	Very low	37.8	Very low	151 Å²	151	117.8 Å²	117.8	81%	0.807	68%	0.678	S	S	*	*			trans	177.9	-3.4	148.6	-89.7	-17.7	0	0	0	113.8	T112	T112-D114 PolarHBondContact O-N 3.01Å
115	Q	32.3	Very low	39.8	Very low	174 Å²	174	112.1 Å²	112.1	81%	0.813	64%	0.641	S	S	*	*	S	Bend	trans	-103.1	-8.3	179.6	-73.7	-174.1	-14.5	0	0	116.4	A117	Q115-A117 VanDerWaalsContact C-N 3.29Å; Q115-A117 PolarHBondContact O-N 3.37Å
116	E	27	Very low	42.6	Very low	191 Å²	191	107.7 Å²	107.7	89%	0.893	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-8.5	178	-83	-177.4	154	0	0	114.2
117	A	35.4	Very low	45.4	Very low	80 Å²	80	104.8 Å²	104.8	66%	0.661	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-22.5	178.5	0	0	0	0	0	114	Q115	Q115-A117 VanDerWaalsContact C-N 3.29Å; Q115-A117 PolarHBondContact O-N 3.37Å
118	V	41.3	Very low	48.2	Very low	79 Å²	79	104.8 Å²	104.8	48%	0.479	58%	0.579	S	S	.	*	S	Bend	trans	-90.4	-20.4	-170.1	-176.7	0	0	0	0	113.3
119	L	39	Very low	51	Low	128 Å²	128	95.2 Å²	95.2	67%	0.67	54%	0.537	S	S	*	.	H	α-helix	trans	-84.4	-19.4	-179.5	-87.2	140.9	0	0	0	114.2
120	G	43.3	Very low	53.7	Low	50 Å²	50	92.7 Å²	92.7	52%	0.515	51%	0.514	S	S	.	.	H	α-helix	trans	-66.4	-40.1	176.7	0	0	0	0	0	113.2	G122 T123	G120-G122 PolarHBondContact O-N 2.86Å; G120-T123 PolarHBondContact O-N 3.19Å
121	D	53.3	Low	56.5	Low	58 Å²	58	95.1 Å²	95.1	31%	0.31	51%	0.508	S	S	.	.	H	α-helix	trans	-72.1	-29.6	-173.1	-88.4	11	0	0	0	114.2	T123 E124 Y125 W236 P242	D121-T123 VanDerWaalsContact C-N 3.3Å; D121-T123 PolarHBondContact O-N 3.19Å; D121-E124 PolarHBondContact O-N 3.31Å; D121-Y125 PolarHBondContact O-N 3.24Å; D121-W236 HydrophobicContact CB-CZ2 4.15Å; D121-P242 HydrophobicContact CB-CG 4.31Å
122	G	61.9	Low	59.1	Low	11 Å²	11	91.9 Å²	91.9	11%	0.113	48%	0.483	C	S	.	.	H	α-helix	trans	-68.5	-26.9	178.8	0	0	0	0	0	114	G120 R126	G120-G122 PolarHBondContact O-N 2.86Å; G122-R126 WeakPolarHBondContact O-CG 3.48Å; G122-R126 PolarHBondContact O-N 3.27Å
123	T	70.6	Confident	61.6	Low	87 Å²	87	86.6 Å²	86.6	53%	0.534	45%	0.449	S	S	.	.	H	α-helix	trans	-74.8	-39.4	178.8	-55	0	0	0	0	111.1	G120 D121 R126 I127	G120-T123 PolarHBondContact O-N 3.19Å; D121-T123 VanDerWaalsContact C-N 3.3Å; D121-T123 PolarHBondContact O-N 3.19Å; T123-R126 PolarHBondContact O-N 3.45Å; T123-I127 HydrophobicContact CG2-CD1 4.32Å; T123-I127 WeakPolarHBondContact O-CG1 3.22Å; T123-I127 PolarHBondContact O-N 2.9Å; T123-I127 VanDerWaalsContact O-N 3.1Å
124	E	76.3	Confident	63.5	Low	106 Å²	106	80.1 Å²	80.1	50%	0.495	42%	0.424	S	S	.	.	H	α-helix	trans	-67.7	-40.9	178.9	-157.3	-177.2	169.3	0	0	111.8	D121 R126 I127 R128 P237	D121-E124 PolarHBondContact O-N 3.31Å; E124-R126 PolarHBondContact O-N 2.95Å; E124-I127 PolarHBondContact O-N 3.17Å; E124-R128 PolarHBondContact O-N 3.04Å; E124-P237 HydrophobicContact CB-CG 4.22Å; E124-P237 HydrophobicContact CG-CB 4.27Å; E124-P237 HydrophobicContact CG-CG 3.69Å; E124-P237 WeakPolarHBondContact OE1-CB 3.38Å
125	Y	83.2	Confident	64.8	Low	1 Å²	1	77.5 Å²	77.5	0%	0.004	41%	0.409	C	S	.	.	H	α-helix	trans	-59	-45.4	172.6	176.2	-110.3	0	0	0	112	D121 I127 R128 I129 W199 Y211 V212 D235 W236	D121-Y125 PolarHBondContact O-N 3.24Å; Y125-I127 VanDerWaalsContact C-N 3.35Å; Y125-I127 PolarHBondContact O-N 3.36Å; Y125-R128 PolarHBondContact O-N 3.21Å; Y125-I129 HydrophobicContact CD1-CG1 4.29Å; Y125-I129 HydrophobicContact CD2-CG1 4.17Å; Y125-I129 HydrophobicContact CE1-CG1 3.88Å; Y125-I129 HydrophobicContact CE2-CD1 3.77Å; Y125-I129 HydrophobicContact CE2-CG1 3.74Å; Y125-I129 HydrophobicContact CG-CG1 4.43Å; Y125-I129 WeakPolarHBondContact O-CG1 3.44Å; Y125-I129 PolarHBondContact O-N 3.13Å; Y125-W199 AromaticContact CD1-CH2 3.91Å; Y125-W199 HydrophobicContact CD1-CH2 3.91Å; Y125-W199 HydrophobicContact CD1-CZ3 4.47Å; Y125-W199 AromaticContact CE1-CH2 3.62Å; Y125-W199 HydrophobicContact CE1-CH2 3.62Å; Y125-W199 AromaticContact CE1-CZ3 3.99Å; Y125-W199 HydrophobicContact CE1-CZ3 3.99Å; Y125-Y211 HydrophobicContact CD1-CD1 4.2Å; Y125-Y211 HydrophobicContact CE1-CD1 4.48Å; Y125-V212 PolarHBondContact OH-O 2.92Å; Y125-D235 HydrophobicContact CE2-CB 4.13Å; Y125-W236 HydrophobicContact CD1-CZ3 4.06Å; Y125-W236 HydrophobicContact CD2-CD2 4.29Å; Y125-W236 AromaticContact CD2-CE3 3.45Å; Y125-W236 HydrophobicContact CD2-CE3 3.45Å; Y125-W236 VanDerWaalsContact CD2-CE3 3.45Å; Y125-W236 AromaticContact CD2-CZ3 3.59Å; Y125-W236 HydrophobicContact CD2-CZ3 3.59Å; Y125-W236 HydrophobicContact CE2-CE3 4.01Å; Y125-W236 HydrophobicContact CE2-CZ3 4.17Å; Y125-W236 AromaticContact CG-CE3 3.87Å; Y125-W236 HydrophobicContact CG-CE3 3.87Å; Y125-W236 HydrophobicContact CG-CH2 4.09Å; Y125-W236 AromaticContact CG-CZ3 3.53Å; Y125-W236 HydrophobicContact CG-CZ3 3.53Å
126	R	84.8	Confident	65.9	Low	55 Å²	55	70.8 Å²	70.8	21%	0.208	38%	0.38	C	S	.	.	H	α-helix	trans	-61.7	-40.3	178.1	-77	173.4	172.4	-130.7	6.4	112.6	G122 T123 E124 I129 K130 W199 Q206	G122-R126 WeakPolarHBondContact O-CG 3.48Å; G122-R126 PolarHBondContact O-N 3.27Å; T123-R126 PolarHBondContact O-N 3.45Å; E124-R126 PolarHBondContact O-N 2.95Å; R126-I129 PolarHBondContact O-N 3Å; R126-K130 WeakPolarHBondContact O-CB 3.41Å; R126-K130 PolarHBondContact O-N 2.76Å; R126-W199 HydrophobicContact CG-CH2 3.85Å; R126-W199 HydrophobicContact CG-CZ2 4.25Å; R126-W199 HydrophobicContact CG-CZ3 4.27Å; R126-Q206 VanDerWaalsContact CZ-OE1 3.28Å
127	I	83.9	Confident	67.3	Low	90 Å²	90	65.8 Å²	65.8	46%	0.462	35%	0.353	S	S	.	.	H	α-helix	trans	-61	-47.7	175.1	-68	166	0	0	0	110.3	T123 E124 Y125 I129 K130 E131	T123-I127 HydrophobicContact CG2-CD1 4.32Å; T123-I127 WeakPolarHBondContact O-CG1 3.22Å; T123-I127 PolarHBondContact O-N 2.9Å; T123-I127 VanDerWaalsContact O-N 3.1Å; E124-I127 PolarHBondContact O-N 3.17Å; Y125-I127 VanDerWaalsContact C-N 3.35Å; Y125-I127 PolarHBondContact O-N 3.36Å; I127-I129 PolarHBondContact O-N 2.8Å; I127-K130 WeakPolarHBondContact O-CB 3.4Å; I127-K130 PolarHBondContact O-N 3.47Å; I127-E131 WeakPolarHBondContact O-CG 3.48Å; I127-E131 PolarHBondContact O-N 3.41Å
128	R	84.2	Confident	67.8	Low	85 Å²	85	66.5 Å²	66.5	32%	0.321	35%	0.346	S	S	.	.	H	α-helix	trans	-62.9	-40.3	178.6	179.9	163.2	168.7	177.8	-14.1	113.1	E124 Y125 E131 K132 K234 D235 W236 P237	E124-R128 PolarHBondContact O-N 3.04Å; Y125-R128 PolarHBondContact O-N 3.21Å; R128-E131 PolarHBondContact O-N 2.81Å; R128-K132 VanDerWaalsContact O-CB 3.32Å; R128-K132 WeakPolarHBondContact O-CB 3.42Å; R128-K132 PolarHBondContact O-N 3.32Å; R128-K234 PolarHBondContact NH2-O 3.49Å; R128-D235 WeakPolarHBondContact CD-O 3.48Å; R128-D235 PolarHBondContact NE-O 3.1Å; R128-W236 PolarHBondContact NH1-O 3.3Å; R128-P237 VanDerWaalsContact NH1-CA 3.31Å
129	I	84.9	Confident	67.9	Low	1 Å²	1	70.2 Å²	70.2	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-64.1	-43.8	174	-67	-57.4	0	0	0	110.5	Y125 R126 I127 E131 K132 F133 M196 W199 A200 D235	Y125-I129 HydrophobicContact CD1-CG1 4.29Å; Y125-I129 HydrophobicContact CD2-CG1 4.17Å; Y125-I129 HydrophobicContact CE1-CG1 3.88Å; Y125-I129 HydrophobicContact CE2-CD1 3.77Å; Y125-I129 HydrophobicContact CE2-CG1 3.74Å; Y125-I129 HydrophobicContact CG-CG1 4.43Å; Y125-I129 WeakPolarHBondContact O-CG1 3.44Å; Y125-I129 PolarHBondContact O-N 3.13Å; R126-I129 PolarHBondContact O-N 3Å; I127-I129 PolarHBondContact O-N 2.8Å; I129-E131 PolarHBondContact O-N 3.48Å; I129-K132 PolarHBondContact O-N 3.01Å; I129-F133 HydrophobicContact CD1-CE2 4.42Å; I129-F133 HydrophobicContact CG2-CD2 3.76Å; I129-F133 HydrophobicContact CG2-CE2 4.05Å; I129-F133 WeakPolarHBondContact O-CD2 2.91Å; I129-F133 PolarHBondContact O-N 2.72Å; I129-M196 HydrophobicContact CD1-CE 4.49Å; I129-M196 HydrophobicContact CG2-CE 3.71Å; I129-W199 HydrophobicContact CG2-CZ3 4.27Å; I129-A200 HydrophobicContact CB-CB 4.35Å; I129-A200 HydrophobicContact CG2-CB 3.91Å; I129-D235 HydrophobicContact CD1-CB 4.15Å
130	K	84.5	Confident	68.2	Low	94 Å²	94	68.8 Å²	68.8	41%	0.409	34%	0.344	S	S	.	.	H	α-helix	trans	-56.9	-49.5	175.3	-173.4	178.1	179.6	176.4	0	110.9	R126 I127 C134 L197 A200 E201	R126-K130 WeakPolarHBondContact O-CB 3.41Å; R126-K130 PolarHBondContact O-N 2.76Å; I127-K130 WeakPolarHBondContact O-CB 3.4Å; I127-K130 PolarHBondContact O-N 3.47Å; K130-C134 WeakPolarHBondContact O-CB 3.41Å; K130-C134 PolarHBondContact O-N 3.22Å; K130-L197 HydrophobicContact CG-CD1 4.22Å; K130-A200 HydrophobicContact CB-CB 4.13Å; K130-E201 HydrophobicContact CD-CG 4.22Å; K130-E201 HydrophobicContact CG-CG 4.48Å
131	E	83.2	Confident	68.1	Low	116 Å²	116	68.7 Å²	68.7	54%	0.542	34%	0.335	S	S	.	.	H	α-helix	trans	-60.4	-48	177.3	-70.9	176.7	173.6	0	0	112.5	I127 R128 I129 F133 C134 I135	I127-E131 WeakPolarHBondContact O-CG 3.48Å; I127-E131 PolarHBondContact O-N 3.41Å; R128-E131 PolarHBondContact O-N 2.81Å; I129-E131 PolarHBondContact O-N 3.48Å; E131-F133 PolarHBondContact O-N 2.65Å; E131-C134 PolarHBondContact O-N 2.6Å; E131-I135 WeakPolarHBondContact O-CB 3.5Å; E131-I135 WeakPolarHBondContact O-CD1 3.48Å; E131-I135 VanDerWaalsContact O-CG1 3.29Å; E131-I135 WeakPolarHBondContact O-CG1 3.25Å; E131-I135 PolarHBondContact O-N 3.01Å
132	K	82.3	Confident	67.1	Low	69 Å²	69	72.2 Å²	72.2	30%	0.3	35%	0.353	S	S	.	.	H	α-helix	trans	-57.2	-47.4	-179.6	-179.2	177	178.4	175	0	112	R128 I129 T136 D235	R128-K132 VanDerWaalsContact O-CB 3.32Å; R128-K132 WeakPolarHBondContact O-CB 3.42Å; R128-K132 PolarHBondContact O-N 3.32Å; I129-K132 PolarHBondContact O-N 3.01Å; K132-T136 WeakPolarHBondContact O-CB 3.47Å; K132-T136 PolarHBondContact O-N 2.84Å; K132-T136 PolarHBondContact O-OG1 2.88Å; K132-D235 IonicContact NZ-OD1 2.75Å; K132-D235 PolarHBondContact NZ-OD1 3.08Å; K132-D235 IonicContact NZ-OD2 3.05Å; K132-D235 PolarHBondContact NZ-OD2 3.44Å
133	F	80.1	Confident	65.8	Low	10 Å²	10	75.6 Å²	75.6	4%	0.044	38%	0.38	C	S	.	.	H	α-helix	trans	-85.4	-27	-176.8	-71.3	-79.4	0	0	0	113.3	I129 E131 T136 W137 R193 M196 Y214	I129-F133 HydrophobicContact CD1-CE2 4.42Å; I129-F133 HydrophobicContact CG2-CD2 3.76Å; I129-F133 HydrophobicContact CG2-CE2 4.05Å; I129-F133 WeakPolarHBondContact O-CD2 2.91Å; I129-F133 PolarHBondContact O-N 2.72Å; E131-F133 PolarHBondContact O-N 2.65Å; F133-T136 PolarHBondContact O-N 3.48Å; F133-W137 VanDerWaalsContact O-CB 3.31Å; F133-W137 WeakPolarHBondContact O-CB 3.38Å; F133-W137 PolarHBondContact O-N 2.89Å; F133-R193 HydrophobicContact CD1-CB 4.25Å; F133-R193 HydrophobicContact CD1-CG 4.13Å; F133-R193 HydrophobicContact CE1-CG 3.96Å; F133-M196 HydrophobicContact CD2-CB 4.16Å; F133-M196 HydrophobicContact CE2-CB 4.18Å; F133-M196 HydrophobicContact CE2-CE 4.08Å; F133-M196 HydrophobicContact CE2-CG 4.34Å; F133-M196 HydrophobicContact CG-CB 4.39Å; F133-M196 HydrophobicContact CZ-CB 4.41Å; F133-M196 HydrophobicContact CZ-CG 4.28Å; F133-Y214 HydrophobicContact CE1-CD1 4.29Å; F133-Y214 HydrophobicContact CE1-CE1 4.34Å; F133-Y214 HydrophobicContact CE1-CG 4.42Å; F133-Y214 AromaticContact CZ-CD1 3.75Å; F133-Y214 HydrophobicContact CZ-CD1 3.75Å; F133-Y214 HydrophobicContact CZ-CD2 4.33Å; F133-Y214 HydrophobicContact CZ-CE1 4.25Å; F133-Y214 AromaticContact CZ-CG 3.78Å; F133-Y214 HydrophobicContact CZ-CG 3.78Å
134	C	71.7	Confident	64.3	Low	47 Å²	47	74.8 Å²	74.8	32%	0.318	39%	0.389	S	S	.	.	H	α-helix	trans	-67.8	-46.3	174.4	-162.2	0	0	0	0	111.8	K130 E131 T136 W137 D138 L197	K130-C134 WeakPolarHBondContact O-CB 3.41Å; K130-C134 PolarHBondContact O-N 3.22Å; E131-C134 PolarHBondContact O-N 2.6Å; C134-T136 VanDerWaalsContact C-N 3.26Å; C134-T136 PolarHBondContact O-N 2.75Å; C134-W137 WeakPolarHBondContact O-CB 3.45Å; C134-W137 PolarHBondContact O-N 2.86Å; C134-W137 VanDerWaalsContact O-N 3.13Å; C134-D138 PolarHBondContact O-N 3.09Å; C134-D138 VanDerWaalsContact O-N 3.08Å; C134-L197 HydrophobicContact CB-CD1 4.37Å
135	I	58.7	Low	62.5	Low	96 Å²	96	74.5 Å²	74.5	49%	0.492	39%	0.386	S	S	.	.	H	α-helix	trans	-62.8	-36	176.3	-65.5	167.1	0	0	0	111.4	E131 K139	E131-I135 WeakPolarHBondContact O-CB 3.5Å; E131-I135 WeakPolarHBondContact O-CD1 3.48Å; E131-I135 VanDerWaalsContact O-CG1 3.29Å; E131-I135 WeakPolarHBondContact O-CG1 3.25Å; E131-I135 PolarHBondContact O-N 3.01Å; I135-K139 HydrophobicContact CG2-CD 4.22Å; I135-K139 WeakPolarHBondContact O-CB 3.2Å; I135-K139 WeakPolarHBondContact O-CG 3.37Å; I135-K139 PolarHBondContact O-N 2.8Å; I135-K139 VanDerWaalsContact O-N 3.1Å
136	T	53.9	Low	60.2	Low	33 Å²	33	77.4 Å²	77.4	20%	0.202	41%	0.405	C	S	.	.	H	α-helix	trans	-74	-30	178.6	-52.6	0	0	0	0	111.7	K132 F133 C134 K140	K132-T136 WeakPolarHBondContact O-CB 3.47Å; K132-T136 PolarHBondContact O-N 2.84Å; K132-T136 PolarHBondContact O-OG1 2.88Å; F133-T136 PolarHBondContact O-N 3.48Å; C134-T136 VanDerWaalsContact C-N 3.26Å; C134-T136 PolarHBondContact O-N 2.75Å; T136-K140 HydrophobicContact CG2-CD 4.24Å; T136-K140 WeakPolarHBondContact O-CB 3.27Å; T136-K140 WeakPolarHBondContact O-CG 3.36Å; T136-K140 PolarHBondContact O-N 3.08Å
137	W	56.5	Low	57.8	Low	86 Å²	86	82.7 Å²	82.7	33%	0.326	43%	0.432	S	S	.	.	H	α-helix	trans	-66	-46.6	173.9	-165.4	-96.4	0	0	0	110.9	F133 C134 S141 I153 T190 K194	F133-W137 VanDerWaalsContact O-CB 3.31Å; F133-W137 WeakPolarHBondContact O-CB 3.38Å; F133-W137 PolarHBondContact O-N 2.89Å; C134-W137 WeakPolarHBondContact O-CB 3.45Å; C134-W137 PolarHBondContact O-N 2.86Å; C134-W137 VanDerWaalsContact O-N 3.13Å; W137-S141 PolarHBondContact O-N 2.9Å; W137-S141 PolarHBondContact O-OG 3.04Å; W137-I153 HydrophobicContact CH2-CD1 3.96Å; W137-T190 HydrophobicContact CH2-CG2 4.13Å; W137-T190 HydrophobicContact CZ3-CG2 4.05Å; W137-K194 HydrophobicContact CH2-CB 4.25Å; W137-K194 HydrophobicContact CH2-CD 3.88Å; W137-K194 HydrophobicContact CZ2-CD 4.23Å; W137-K194 HydrophobicContact CZ3-CB 4.15Å; W137-K194 HydrophobicContact CZ3-CD 4.19Å
138	D	47.3	Very low	55.5	Low	95 Å²	95	84.3 Å²	84.3	51%	0.508	44%	0.442	S	S	.	.	H	α-helix	trans	-73.1	-26.2	179.4	-69.6	-21.9	0	0	0	114.1	C134 S141 L142	C134-D138 PolarHBondContact O-N 3.09Å; C134-D138 VanDerWaalsContact O-N 3.08Å; D138-S141 PolarHBondContact O-OG 3.39Å; D138-L142 WeakPolarHBondContact O-CD1 3.49Å
139	K	42.4	Very low	53.5	Low	157 Å²	157	83.8 Å²	83.8	68%	0.683	44%	0.442	S	S	*	.	H	α-helix	trans	-81.7	-28.9	175.3	-78.5	179.8	178.9	174.3	0	113.6	I135	I135-K139 HydrophobicContact CG2-CD 4.22Å; I135-K139 WeakPolarHBondContact O-CB 3.2Å; I135-K139 WeakPolarHBondContact O-CG 3.37Å; I135-K139 PolarHBondContact O-N 2.8Å; I135-K139 VanDerWaalsContact O-N 3.1Å
140	K	45.4	Very low	51.5	Low	98 Å²	98	88.9 Å²	88.9	43%	0.426	47%	0.466	S	S	.	.	H	α-helix	trans	-82.5	-16.4	-179.8	-76.1	-170.3	179.3	-170	0	113.6	T136 L142 E470	T136-K140 HydrophobicContact CG2-CD 4.24Å; T136-K140 WeakPolarHBondContact O-CB 3.27Å; T136-K140 WeakPolarHBondContact O-CG 3.36Å; T136-K140 PolarHBondContact O-N 3.08Å; K140-L142 PolarHBondContact O-N 2.72Å; K140-E470 VanDerWaalsContact CE-OE1 3.23Å; K140-E470 WeakPolarHBondContact CE-OE1 3.32Å; K140-E470 IonicContact NZ-OE1 2.65Å; K140-E470 PolarHBondContact NZ-OE1 2.71Å
141	S	40.3	Very low	49.3	Very low	48 Å²	48	92.8 Å²	92.8	34%	0.336	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-10.5	169.8	47.6	0	0	0	0	113.6	W137 D138	W137-S141 PolarHBondContact O-N 2.9Å; W137-S141 PolarHBondContact O-OG 3.04Å; D138-S141 PolarHBondContact O-OG 3.39Å
142	L	34.1	Very low	47.2	Very low	132 Å²	132	90 Å²	90	69%	0.691	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	23.1	-168.8	-83.6	156.1	0	0	0	116.4	D138 K140	D138-L142 WeakPolarHBondContact O-CD1 3.49Å; K140-L142 PolarHBondContact O-N 2.72Å
143	A	33.8	Very low	45.5	Very low	81 Å²	81	88.9 Å²	88.9	67%	0.669	48%	0.484	S	S	*	.	S	Bend	trans	-108.4	70.6	171	0	0	0	0	0	111.9	K145	A143-K145 VanDerWaalsContact C-N 3.33Å; A143-K145 PolarHBondContact O-N 3.47Å; A143-K145 VanDerWaalsContact O-N 3.13Å
144	G	38.6	Very low	44.4	Very low	71 Å²	71	90.9 Å²	90.9	73%	0.732	50%	0.502	S	S	*	.	S	Bend	trans	64.1	21.9	157.5	0	0	0	0	0	117.8
145	K	39.4	Very low	44	Very low	99 Å²	99	94 Å²	94	43%	0.43	51%	0.512	S	S	.	.	S	Bend	trans	-103.6	146.4	172.5	-66.8	178.6	-176.4	175.8	0	108.8	A143 E147	A143-K145 VanDerWaalsContact C-N 3.33Å; A143-K145 PolarHBondContact O-N 3.47Å; A143-K145 VanDerWaalsContact O-N 3.13Å; K145-E147 PolarHBondContact O-N 2.98Å; K145-E147 VanDerWaalsContact O-N 3.16Å
146	P	34.1	Very low	44.4	Very low	62 Å²	62	96.7 Å²	96.7	40%	0.403	52%	0.52	S	S	.	.			trans	-53.3	125.3	176.1	19.9	-29.8	0	0	0	109.4	D148 F149	P146-D148 PolarHBondContact O-N 3.45Å; P146-F149 PolarHBondContact O-N 3.5Å
147	E	33.7	Very low	45.2	Very low	166 Å²	166	97.4 Å²	97.4	78%	0.776	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-53.5	-20.5	-178.3	-67.5	179.8	155.8	0	0	112	K145	K145-E147 PolarHBondContact O-N 2.98Å; K145-E147 VanDerWaalsContact O-N 3.16Å
148	D	36.9	Very low	46.1	Very low	124 Å²	124	99 Å²	99	66%	0.663	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-85.5	-12.2	-174	-65.1	-32.2	0	0	0	115.9	P146	P146-D148 PolarHBondContact O-N 3.45Å
149	F	41.6	Very low	47.6	Very low	74 Å²	74	99.5 Å²	99.5	33%	0.325	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-91.5	-1.1	-178.5	-145.7	-99.4	0	0	0	114.6	P146 M329 Y337	P146-F149 PolarHBondContact O-N 3.5Å; F149-M329 HydrophobicContact CE1-SD 4.04Å; F149-M329 HydrophobicContact CZ-SD 4.37Å; F149-Y337 AromaticContact CD1-CD2 3.75Å; F149-Y337 HydrophobicContact CD1-CD2 3.75Å; F149-Y337 AromaticContact CD1-CE2 3.96Å; F149-Y337 HydrophobicContact CD1-CE2 3.96Å; F149-Y337 AromaticContact CD2-CD2 3.61Å; F149-Y337 HydrophobicContact CD2-CD2 3.61Å; F149-Y337 HydrophobicContact CD2-CE2 4.12Å; F149-Y337 AromaticContact CE1-CD2 3.6Å; F149-Y337 HydrophobicContact CE1-CD2 3.6Å; F149-Y337 HydrophobicContact CE1-CE2 4.23Å; F149-Y337 AromaticContact CE2-CD2 3.48Å; F149-Y337 HydrophobicContact CE2-CD2 3.48Å; F149-Y337 VanDerWaalsContact CE2-CD2 3.48Å; F149-Y337 HydrophobicContact CE2-CE2 4.41Å; F149-Y337 HydrophobicContact CE2-CG 4.23Å; F149-Y337 AromaticContact CG-CD2 3.76Å; F149-Y337 HydrophobicContact CG-CD2 3.76Å; F149-Y337 AromaticContact CG-CE2 3.9Å; F149-Y337 HydrophobicContact CG-CE2 3.9Å; F149-Y337 AromaticContact CZ-CD2 3.47Å; F149-Y337 HydrophobicContact CZ-CD2 3.47Å; F149-Y337 VanDerWaalsContact CZ-CD2 3.47Å; F149-Y337 HydrophobicContact CZ-CE2 4.46Å; F149-Y337 HydrophobicContact CZ-CG 4.16Å
150	H	43.9	Very low	49.6	Very low	109 Å²	109	94.3 Å²	94.3	51%	0.505	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-90	21.6	165.3	-75.1	-60.5	0	0	0	112.4	G152	H150-G152 PolarHBondContact O-N 2.83Å
151	H	37.9	Very low	51.5	Low	176 Å²	176	89.8 Å²	89.8	82%	0.815	49%	0.486	S	S	*	.	S	Bend	trans	-62	82.8	172.5	-134.8	-37.5	0	0	0	110.7
152	G	38.9	Very low	53.7	Low	56 Å²	56	90.9 Å²	90.9	58%	0.577	49%	0.486	S	S	*	.			trans	67.6	133.1	176.2	0	0	0	0	0	113.6	H150 A154	H150-G152 PolarHBondContact O-N 2.83Å; G152-A154 PolarHBondContact O-N 3.33Å; G152-A154 VanDerWaalsContact O-N 3.07Å
153	I	47.3	Very low	56.2	Low	46 Å²	46	89.2 Å²	89.2	24%	0.236	48%	0.475	C	S	.	.	S	Bend	trans	-50.7	121.5	148.9	-83.6	167.4	0	0	0	106.1	W137 E155 D157 L191 K194	W137-I153 HydrophobicContact CH2-CD1 3.96Å; I153-E155 PolarHBondContact O-N 2.76Å; I153-D157 HydrophobicContact CG2-CB 3.31Å; I153-L191 HydrophobicContact CG2-CD1 4.39Å; I153-K194 HydrophobicContact CD1-CB 3.24Å; I153-K194 HydrophobicContact CD1-CD 3.74Å; I153-K194 HydrophobicContact CD1-CG 3.22Å
154	A	56.9	Low	58.8	Low	53 Å²	53	85.5 Å²	85.5	44%	0.438	44%	0.444	S	S	.	.			trans	-50.8	142.9	-175.4	0	0	0	0	0	108.4	G152 K156 D157 R158	G152-A154 PolarHBondContact O-N 3.33Å; G152-A154 VanDerWaalsContact O-N 3.07Å; A154-K156 HydrophobicContact CB-CB 4.32Å; A154-K156 CarbonylContact O-C 3.59Å; A154-K156 PolarHBondContact O-N 2.94Å; A154-D157 PolarHBondContact O-N 3.07Å; A154-R158 PolarHBondContact O-N 3.46Å
155	E	61.7	Low	61.1	Low	113 Å²	113	82.2 Å²	82.2	53%	0.528	41%	0.409	S	S	.	.	H	α-helix	trans	-42.9	-32.3	173.5	177.8	62.4	-169.1	0	0	112.2	I153 K159	I153-E155 PolarHBondContact O-N 2.76Å; E155-K159 HydrophobicContact CG-CD 4.31Å; E155-K159 WeakPolarHBondContact O-CB 3.29Å; E155-K159 VanDerWaalsContact O-CG 3.28Å; E155-K159 WeakPolarHBondContact O-CG 3.49Å; E155-K159 PolarHBondContact O-N 3.4Å; E155-K159 WeakPolarHBondContact OE1-CE 3.5Å; E155-K159 IonicContact OE1-NZ 3.51Å
156	K	67	Low	63.2	Low	151 Å²	151	80.8 Å²	80.8	66%	0.657	41%	0.406	S	S	*	.	H	α-helix	trans	-61.2	-43.6	173.8	-168.7	179	180	-176.8	0	114.9	A154 L160	A154-K156 HydrophobicContact CB-CB 4.32Å; A154-K156 CarbonylContact O-C 3.59Å; A154-K156 PolarHBondContact O-N 2.94Å; K156-L160 WeakPolarHBondContact O-CB 3.46Å; K156-L160 PolarHBondContact O-N 3.3Å
157	D	72.4	Confident	65.3	Low	48 Å²	48	81.6 Å²	81.6	26%	0.257	41%	0.41	S	S	.	.	H	α-helix	trans	-74.8	-32.6	-180	-74.2	-17.9	0	0	0	111.3	I153 A154 L160 L161 L191	I153-D157 HydrophobicContact CG2-CB 3.31Å; A154-D157 PolarHBondContact O-N 3.07Å; D157-L160 WeakPolarHBondContact O-CB 3.37Å; D157-L160 PolarHBondContact O-N 2.95Å; D157-L161 WeakPolarHBondContact O-CG 3.46Å; D157-L161 PolarHBondContact O-N 2.8Å; D157-L191 HydrophobicContact CB-CD1 3.91Å
158	R	73.9	Confident	67	Low	120 Å²	120	76.1 Å²	76.1	45%	0.453	39%	0.386	S	S	.	.	H	α-helix	trans	-63.6	-50.5	169.7	-178.4	-176.4	176.1	160.9	8.3	111	A154 L160 L161 E162	A154-R158 PolarHBondContact O-N 3.46Å; R158-L160 PolarHBondContact O-N 3.06Å; R158-L161 WeakPolarHBondContact O-CB 3.39Å; R158-L161 PolarHBondContact O-N 3.44Å; R158-L161 VanDerWaalsContact O-N 3.13Å; R158-E162 WeakPolarHBondContact CG-OE1 3.4Å; R158-E162 IonicContact CZ-OE1 2.68Å; R158-E162 IonicContact NE-OE1 3.64Å; R158-E162 PolarHBondContact NE-OE1 3.17Å; R158-E162 IonicContact NH2-OE1 3.28Å; R158-E162 WeakPolarHBondContact O-CG 3.37Å; R158-E162 PolarHBondContact O-N 3.45Å
159	K	79.5	Confident	68.5	Low	105 Å²	105	77.3 Å²	77.3	46%	0.457	40%	0.397	S	S	.	.	H	α-helix	trans	-56.4	-39.9	172.6	-76.2	175.9	178	174.2	0	112	E155 E162 H163	E155-K159 HydrophobicContact CG-CD 4.31Å; E155-K159 WeakPolarHBondContact O-CB 3.29Å; E155-K159 VanDerWaalsContact O-CG 3.28Å; E155-K159 WeakPolarHBondContact O-CG 3.49Å; E155-K159 PolarHBondContact O-N 3.4Å; E155-K159 WeakPolarHBondContact OE1-CE 3.5Å; E155-K159 IonicContact OE1-NZ 3.51Å; K159-E162 PolarHBondContact O-N 2.91Å; K159-H163 PolarHBondContact O-CD2 2.57Å; K159-H163 PolarHBondContact O-N 3.32Å
160	L	84.6	Confident	69.3	Low	48 Å²	48	83.3 Å²	83.3	25%	0.251	42%	0.423	S	S	.	.	H	α-helix	trans	-58.6	-49.6	176.1	-176.7	66.3	0	0	0	110.9	K156 D157 R158 H163 L164 L191 V324 L326	K156-L160 WeakPolarHBondContact O-CB 3.46Å; K156-L160 PolarHBondContact O-N 3.3Å; D157-L160 WeakPolarHBondContact O-CB 3.37Å; D157-L160 PolarHBondContact O-N 2.95Å; R158-L160 PolarHBondContact O-N 3.06Å; L160-H163 PolarHBondContact O-N 3.08Å; L160-L164 HydrophobicContact CD1-CD2 4.31Å; L160-L164 HydrophobicContact CG-CD2 4.19Å; L160-L164 VanDerWaalsContact O-CG 3.26Å; L160-L164 WeakPolarHBondContact O-CG 3.49Å; L160-L164 PolarHBondContact O-N 3.28Å; L160-L191 HydrophobicContact CD2-CD2 4.24Å; L160-V324 HydrophobicContact CD1-CG1 3.72Å; L160-V324 HydrophobicContact CD2-CG1 4.43Å; L160-V324 HydrophobicContact CG-CG1 4.43Å; L160-L326 HydrophobicContact CD2-CD1 4.04Å
161	L	85.9	Confident	70.3	Confident	3 Å²	3	82.3 Å²	82.3	2%	0.016	43%	0.425	C	S	.	.	H	α-helix	trans	-60	-47.2	177.7	-74.8	174.7	0	0	0	111.9	D157 R158 H163 L164 L191 A195 L204 Y205	D157-L161 WeakPolarHBondContact O-CG 3.46Å; D157-L161 PolarHBondContact O-N 2.8Å; R158-L161 WeakPolarHBondContact O-CB 3.39Å; R158-L161 PolarHBondContact O-N 3.44Å; R158-L161 VanDerWaalsContact O-N 3.13Å; L161-H163 PolarHBondContact O-N 3.43Å; L161-L164 HydrophobicContact CD2-CD1 3.92Å; L161-L164 PolarHBondContact O-N 2.93Å; L161-L191 HydrophobicContact CD1-CD1 3.72Å; L161-L191 HydrophobicContact CD1-CG 4.22Å; L161-L191 HydrophobicContact CD2-CD1 4.38Å; L161-L191 HydrophobicContact CD2-CD2 4.36Å; L161-L191 HydrophobicContact CD2-CG 4.05Å; L161-L191 HydrophobicContact CG-CD1 3.95Å; L161-L191 HydrophobicContact CG-CG 4.18Å; L161-A195 HydrophobicContact CD1-CB 3.97Å; L161-A195 HydrophobicContact CD2-CB 3.87Å; L161-L204 HydrophobicContact CB-CD1 4.33Å; L161-L204 HydrophobicContact CB-CD2 4.24Å; L161-L204 HydrophobicContact CD1-CD2 4.37Å; L161-Y205 PolarHBondContact O-OH 3.47Å
162	E	85.1	Confident	71.8	Confident	72 Å²	72	76.7 Å²	76.7	34%	0.336	42%	0.415	S	S	.	.	H	α-helix	trans	-57.8	-34.7	-179.1	-72.3	169.5	-176.7	0	0	112.5	R158 K159 L204	R158-E162 WeakPolarHBondContact CG-OE1 3.4Å; R158-E162 IonicContact CZ-OE1 2.68Å; R158-E162 IonicContact NE-OE1 3.64Å; R158-E162 PolarHBondContact NE-OE1 3.17Å; R158-E162 IonicContact NH2-OE1 3.28Å; R158-E162 WeakPolarHBondContact O-CG 3.37Å; R158-E162 PolarHBondContact O-N 3.45Å; K159-E162 PolarHBondContact O-N 2.91Å; E162-L204 HydrophobicContact CG-CD1 3.94Å
163	H	86.7	Confident	73.3	Confident	97 Å²	97	79.8 Å²	79.8	45%	0.449	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	7.5	-173.9	-62.6	-59.8	0	0	0	115.4	K159 L160 L161 F165 D166 R322	K159-H163 PolarHBondContact O-CD2 2.57Å; K159-H163 PolarHBondContact O-N 3.32Å; L160-H163 PolarHBondContact O-N 3.08Å; L161-H163 PolarHBondContact O-N 3.43Å; H163-F165 VanDerWaalsContact C-N 3.27Å; H163-F165 PolarHBondContact O-N 3.23Å; H163-D166 IonicContact CE1-OD2 3.74Å; H163-D166 IonicContact CG-OD2 2.76Å; H163-D166 IonicContact ND1-OD2 2.9Å; H163-D166 PolarHBondContact ND1-OD2 3.35Å; H163-D166 PolarHBondContact O-N 3.43Å; H163-R322 PolarHBondContact O-NH1 3.33Å; H163-R322 VanDerWaalsContact O-NH1 3.1Å
164	L	87.9	Confident	74.9	Confident	3 Å²	3	82.8 Å²	82.8	2%	0.016	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-39.4	-176.6	-77.3	-176.2	0	0	0	112.7	L160 L161 V178 L303 R322 V324	L160-L164 HydrophobicContact CD1-CD2 4.31Å; L160-L164 HydrophobicContact CG-CD2 4.19Å; L160-L164 VanDerWaalsContact O-CG 3.26Å; L160-L164 WeakPolarHBondContact O-CG 3.49Å; L160-L164 PolarHBondContact O-N 3.28Å; L161-L164 HydrophobicContact CD2-CD1 3.92Å; L161-L164 PolarHBondContact O-N 2.93Å; L164-V178 HydrophobicContact CB-CG1 4.33Å; L164-V178 HydrophobicContact CD2-CG1 4.15Å; L164-V178 WeakPolarHBondContact O-CG2 3.44Å; L164-L303 HydrophobicContact CD1-CD1 3.92Å; L164-L303 HydrophobicContact CD1-CD2 4.16Å; L164-R322 PolarHBondContact O-NH1 3.46Å; L164-V324 HydrophobicContact CD2-CB 4.26Å; L164-V324 HydrophobicContact CD2-CG1 4.01Å; L164-V324 HydrophobicContact CD2-CG2 3.96Å
165	F	86.8	Confident	76.2	Confident	2 Å²	2	81 Å²	81	1%	0.009	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	15.3	-173.5	-64.3	-86.8	0	0	0	113.8	H163 Q174 P175 V178 Y205 R208 F209 L254 L303	H163-F165 VanDerWaalsContact C-N 3.27Å; H163-F165 PolarHBondContact O-N 3.23Å; F165-Q174 WeakPolarHBondContact O-CG 3.49Å; F165-P175 WeakPolarHBondContact CD1-O 3.17Å; F165-V178 HydrophobicContact CD1-CG2 3.53Å; F165-V178 HydrophobicContact CE1-CB 4.11Å; F165-V178 HydrophobicContact CE1-CG2 3.5Å; F165-V178 VanDerWaalsContact CE1-CG2 3.5Å; F165-V178 HydrophobicContact CG-CG2 4.07Å; F165-V178 HydrophobicContact CZ-CB 4.26Å; F165-V178 HydrophobicContact CZ-CG2 4.02Å; F165-Y205 HydrophobicContact CD2-CE1 4.22Å; F165-Y205 AromaticContact CD2-CZ 3.97Å; F165-Y205 HydrophobicContact CE2-CE2 4.47Å; F165-R208 PolarHBondContact O-NH1 3.35Å; F165-F209 HydrophobicContact CD2-CE2 4.22Å; F165-F209 HydrophobicContact CD2-CZ 4.5Å; F165-F209 HydrophobicContact CE2-CE2 4.2Å; F165-L254 HydrophobicContact CE1-CD1 4.41Å; F165-L254 HydrophobicContact CE2-CD1 4.16Å; F165-L254 HydrophobicContact CE2-CD2 4.46Å; F165-L254 HydrophobicContact CZ-CD1 3.59Å; F165-L303 HydrophobicContact CZ-CB 4.18Å
166	D	84.9	Confident	77.5	Confident	69 Å²	69	79.6 Å²	79.6	37%	0.369	40%	0.404	S	S	.	.	S	Bend	trans	-67	156.9	175.3	-75.9	4.1	0	0	0	111.8	H163 D168 P175	H163-D166 IonicContact CE1-OD2 3.74Å; H163-D166 IonicContact CG-OD2 2.76Å; H163-D166 IonicContact ND1-OD2 2.9Å; H163-D166 PolarHBondContact ND1-OD2 3.35Å; H163-D166 PolarHBondContact O-N 3.43Å; D166-D168 PolarHBondContact O-N 3.32Å; D166-P175 WeakPolarHBondContact O-CD 3.29Å
167	V	77.6	Confident	78.8	Confident	78 Å²	78	72.4 Å²	72.4	47%	0.473	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-60.5	131.3	177.5	-178.5	0	0	0	0	110	V169 G172 Q174	V167-V169 PolarHBondContact O-N 3.32Å; V167-G172 WeakPolarHBondContact CG1-O 3.35Å; V167-Q174 HydrophobicContact CG2-CB 4.23Å; V167-Q174 HydrophobicContact CG2-CG 4.34Å
168	D	69.3	Low	79.8	Confident	51 Å²	51	70.1 Å²	70.1	27%	0.273	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-71.9	122.6	176.9	179.6	-70.1	0	0	0	110.3	D166 K170 T171 G172 E173	D166-D168 PolarHBondContact O-N 3.32Å; D168-K170 PolarHBondContact O-N 3.1Å; D168-K170 WeakPolarHBondContact OD1-CA 3.46Å; D168-K170 WeakPolarHBondContact OD1-CB 3.42Å; D168-K170 PolarHBondContact OD1-N 3.13Å; D168-T171 VanDerWaalsContact CB-OG1 3.26Å; D168-T171 WeakPolarHBondContact CB-OG1 2.89Å; D168-T171 VanDerWaalsContact CG-OG1 3.27Å; D168-T171 PolarHBondContact O-N 3.5Å; D168-T171 PolarHBondContact OD1-N 3.37Å; D168-T171 PolarHBondContact OD1-OG1 3.4Å; D168-G172 WeakPolarHBondContact O-CA 3.38Å; D168-G172 PolarHBondContact O-N 3.47Å; D168-E173 PolarHBondContact N-O 3.06Å
169	V	68.7	Low	80.8	Confident	150 Å²	150	64.4 Å²	64.4	91%	0.909	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.5	-173.6	-176.9	0	0	0	0	112.9	V167	V167-V169 PolarHBondContact O-N 3.32Å
170	K	59.4	Low	81.4	Confident	199 Å²	199	59.4 Å²	59.4	87%	0.865	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-35	-178	-65	-178.3	178.5	179.9	0	112.4	D168	D168-K170 PolarHBondContact O-N 3.1Å; D168-K170 WeakPolarHBondContact OD1-CA 3.46Å; D168-K170 WeakPolarHBondContact OD1-CB 3.42Å; D168-K170 PolarHBondContact OD1-N 3.13Å
171	T	64.1	Low	81.8	Confident	89 Å²	89	58.5 Å²	58.5	55%	0.546	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-20.5	-174.5	55.8	0	0	0	0	113.3	D168 E173	D168-T171 VanDerWaalsContact CB-OG1 3.26Å; D168-T171 WeakPolarHBondContact CB-OG1 2.89Å; D168-T171 VanDerWaalsContact CG-OG1 3.27Å; D168-T171 PolarHBondContact O-N 3.5Å; D168-T171 PolarHBondContact OD1-N 3.37Å; D168-T171 PolarHBondContact OD1-OG1 3.4Å; T171-E173 PolarHBondContact O-N 3.49Å
172	G	68.4	Low	81.9	Confident	58 Å²	58	58.4 Å²	58.4	60%	0.598	31%	0.312	S	S	*	.			trans	73	3.8	-174.7	0	0	0	0	0	113.8	V167 D168	V167-G172 WeakPolarHBondContact CG1-O 3.35Å; D168-G172 WeakPolarHBondContact O-CA 3.38Å; D168-G172 PolarHBondContact O-N 3.47Å
173	E	71.6	Confident	81.6	Confident	121 Å²	121	57.1 Å²	57.1	57%	0.565	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-92.6	142.6	-178	-64.8	-174.2	172	0	0	111.5	D168 T171	D168-E173 PolarHBondContact N-O 3.06Å; T171-E173 PolarHBondContact O-N 3.49Å
174	Q	79.9	Confident	81.2	Confident	109 Å²	109	53.4 Å²	53.4	51%	0.509	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-91.2	118.4	172.8	-165.3	175.7	25.6	0	0	109.6	F165 V167 Q176 R208	F165-Q174 WeakPolarHBondContact O-CG 3.49Å; V167-Q174 HydrophobicContact CG2-CB 4.23Å; V167-Q174 HydrophobicContact CG2-CG 4.34Å; Q174-Q176 PolarHBondContact O-N 3.48Å; Q174-R208 VanDerWaalsContact NE2-CZ 3.29Å
175	P	85.2	Confident	80.6	Confident	16 Å²	16	55.6 Å²	55.6	10%	0.104	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-70.2	129.6	-176.7	28.8	-33.9	0	0	0	110.3	F165 D166 V178 R322	F165-P175 WeakPolarHBondContact CD1-O 3.17Å; D166-P175 WeakPolarHBondContact O-CD 3.29Å; P175-V178 HydrophobicContact CB-CG2 4.46Å; P175-V178 HydrophobicContact CG-CG2 4.47Å; P175-R322 HydrophobicContact CB-CB 3.86Å; P175-R322 HydrophobicContact CG-CB 4.28Å
176	Q	88.8	Confident	80.3	Confident	82 Å²	82	56 Å²	56	38%	0.383	33%	0.326	S	S	.	.	S	Bend	trans	-89.8	-24.5	169.4	-66.8	-178.3	-16	0	0	111.8	Q174 P298 S301 L302	Q174-Q176 PolarHBondContact O-N 3.48Å; Q176-P298 PolarHBondContact OE1-O 2.92Å; Q176-S301 CarbonylContact O-C 3.36Å; Q176-S301 WeakPolarHBondContact O-CA 3.27Å; Q176-L302 PolarHBondContact O-N 3.25Å
177	T	93.4	Very high	80	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.1	176.9	-62.2	0	0	0	0	110.5	K294 L302 L318 H321 R322	T177-K294 WeakPolarHBondContact OG1-CE 3.3Å; T177-L302 CarbonylContact C-O 3.21Å; T177-L302 WeakPolarHBondContact CA-O 2.85Å; T177-L302 HydrophobicContact CG2-CB 4.02Å; T177-L302 HydrophobicContact CG2-CD1 4.44Å; T177-L318 HydrophobicContact CG2-CD1 3.82Å; T177-L318 HydrophobicContact CG2-CD2 4.12Å; T177-L318 HydrophobicContact CG2-CG 4.41Å; T177-H321 HydrophobicContact CG2-CB 4.04Å; T177-H321 CarbonylContact O-C 3.54Å; T177-H321 VanDerWaalsContact O-CA 3.25Å; T177-H321 WeakPolarHBondContact O-CA 3.36Å; T177-R322 PolarHBondContact O-N 3.47Å
178	V	93.9	Very high	80.4	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.3	176.3	178.4	0	0	0	0	108.9	L164 F165 P175 L302 L303 V304 R322 V324	L164-V178 HydrophobicContact CB-CG1 4.33Å; L164-V178 HydrophobicContact CD2-CG1 4.15Å; L164-V178 WeakPolarHBondContact O-CG2 3.44Å; F165-V178 HydrophobicContact CD1-CG2 3.53Å; F165-V178 HydrophobicContact CE1-CB 4.11Å; F165-V178 HydrophobicContact CE1-CG2 3.5Å; F165-V178 VanDerWaalsContact CE1-CG2 3.5Å; F165-V178 HydrophobicContact CG-CG2 4.07Å; F165-V178 HydrophobicContact CZ-CB 4.26Å; F165-V178 HydrophobicContact CZ-CG2 4.02Å; P175-V178 HydrophobicContact CB-CG2 4.46Å; P175-V178 HydrophobicContact CG-CG2 4.47Å; V178-L302 PolarHBondContact N-O 2.65Å; V178-L303 HydrophobicContact CB-CD1 4.04Å; V178-L303 HydrophobicContact CG1-CD1 3.89Å; V178-L303 CarbonylContact O-C 3.49Å; V178-L303 WeakPolarHBondContact O-CA 3.41Å; V178-V304 PolarHBondContact O-N 3.04Å; V178-R322 CarbonylContact C-O 3.51Å; V178-R322 WeakPolarHBondContact CA-O 3.34Å; V178-V324 HydrophobicContact CG1-CG2 4.06Å
179	V	94.5	Very high	81.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	110.2	175.7	-176.3	0	0	0	0	109.3	Q181 V304 T306 L314 L318 R322 Y323 V324	V179-Q181 PolarHBondContact O-N 3.44Å; V179-V304 CarbonylContact C-O 3.56Å; V179-V304 WeakPolarHBondContact CA-O 3.28Å; V179-T306 HydrophobicContact CG1-CG2 3.67Å; V179-L314 HydrophobicContact CB-CD2 4.49Å; V179-L314 HydrophobicContact CG1-CD2 3.62Å; V179-L314 HydrophobicContact CG2-CD2 3.99Å; V179-L318 HydrophobicContact CG2-CD1 3.29Å; V179-R322 PolarHBondContact N-O 3.39Å; V179-Y323 HydrophobicContact CB-CD1 3.65Å; V179-Y323 HydrophobicContact CB-CE1 3.71Å; V179-Y323 HydrophobicContact CB-CG 4.46Å; V179-Y323 HydrophobicContact CG1-CD1 3.74Å; V179-Y323 HydrophobicContact CG1-CE1 3.6Å; V179-Y323 HydrophobicContact CG2-CD1 4.4Å; V179-Y323 HydrophobicContact CG2-CE1 4.04Å; V179-Y323 WeakPolarHBondContact O-CA 3.38Å; V179-V324 PolarHBondContact O-N 3.49Å
180	L	93.3	Very high	81.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	103.9	173.5	-174.9	70.4	0	0	0	109.7	K188 L191 V192 L303 V304 T305 T306 V324 L326	L180-K188 HydrophobicContact CD2-CB 4.41Å; L180-K188 HydrophobicContact CD2-CG 4.44Å; L180-L191 HydrophobicContact CD2-CD2 3.92Å; L180-V192 HydrophobicContact CD2-CG1 4.39Å; L180-L303 HydrophobicContact CB-CD1 4.35Å; L180-V304 PolarHBondContact N-O 3.4Å; L180-T305 HydrophobicContact CB-CG2 4.34Å; L180-T305 HydrophobicContact CD2-CG2 4.25Å; L180-T305 VanDerWaalsContact O-CA 3.29Å; L180-T305 WeakPolarHBondContact O-CA 3.48Å; L180-T306 PolarHBondContact O-N 3.5Å; L180-V324 CarbonylContact C-O 3.51Å; L180-V324 WeakPolarHBondContact CA-O 3.22Å; L180-V324 HydrophobicContact CD1-CB 4.28Å; L180-V324 HydrophobicContact CD1-CG1 4.05Å; L180-L326 HydrophobicContact CD1-CB 4.18Å
181	Q	92.8	Very high	83	Confident	29 Å²	29	37.3 Å²	37.3	14%	0.136	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	156.8	179.8	64.6	-178.8	6.8	0	0	112.4	V179 T306 L308 S311 Y323 V324 E325 L326	V179-Q181 PolarHBondContact O-N 3.44Å; Q181-T306 VanDerWaalsContact CA-O 3.3Å; Q181-T306 WeakPolarHBondContact CA-O 3.47Å; Q181-T306 HydrophobicContact CB-CG2 4.05Å; Q181-L308 HydrophobicContact CB-CD2 4.15Å; Q181-L308 HydrophobicContact CG-CD2 3.77Å; Q181-S311 VanDerWaalsContact OE1-CB 3.27Å; Q181-S311 PolarHBondContact OE1-OG 3.39Å; Q181-Y323 HydrophobicContact CG-CD1 4.46Å; Q181-V324 PolarHBondContact N-O 3.13Å; Q181-E325 HydrophobicContact CG-CB 4.41Å; Q181-E325 CarbonylContact O-C 3.47Å; Q181-E325 WeakPolarHBondContact O-CA 3Å; Q181-L326 PolarHBondContact O-N 3.03Å
182	G	86.7	Confident	84.3	Confident	0 Å²	0	33 Å²	33	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171	176.2	175.7	0	0	0	0	0	113.1	K188 T306	G182-K188 PolarHBondContact O-NZ 2.83Å; G182-T306 PolarHBondContact N-O 2.91Å
183	A	79.3	Confident	85.2	Confident	46 Å²	46	31.2 Å²	31.2	38%	0.38	19%	0.185	S	C	.	.			trans	-60	159.3	-179	0	0	0	0	0	113.3	G185 V186 K188 V367	A183-G185 PolarHBondContact O-N 2.91Å; A183-V186 HydrophobicContact CB-CB 4.42Å; A183-V186 WeakPolarHBondContact O-CB 3.45Å; A183-V186 WeakPolarHBondContact O-CG1 3.45Å; A183-V186 PolarHBondContact O-N 3.42Å; A183-K188 PolarHBondContact O-NZ 3.29Å; A183-V367 HydrophobicContact CB-CG2 4.05Å
184	A	79.1	Confident	85.8	Confident	18 Å²	18	27.2 Å²	27.2	15%	0.149	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	135.8	173.3	0	0	0	0	0	110.1	V186 L480	A184-V186 PolarHBondContact O-N 3.33Å; A184-L480 HydrophobicContact CB-CB 3.98Å; A184-L480 HydrophobicContact CB-CD2 3.74Å; A184-L480 HydrophobicContact CB-CG 4.5Å
185	G	74.4	Confident	86.2	Confident	49 Å²	49	22.2 Å²	22.2	51%	0.505	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	-0.3	179.1	0	0	0	0	0	116.1	A183 G187	A183-G185 PolarHBondContact O-N 2.91Å; G185-G187 PolarHBondContact O-N 3.19Å
186	V	80.2	Confident	86.4	Confident	12 Å²	12	21.4 Å²	21.4	7%	0.073	14%	0.138	C	C	.	.	S	Bend	trans	-66.2	-16.6	-177	76	0	0	0	0	114.4	A183 A184 K188 L326	A183-V186 HydrophobicContact CB-CB 4.42Å; A183-V186 WeakPolarHBondContact O-CB 3.45Å; A183-V186 WeakPolarHBondContact O-CG1 3.45Å; A183-V186 PolarHBondContact O-N 3.42Å; A184-V186 PolarHBondContact O-N 3.33Å; V186-K188 HydrophobicContact CG1-CG 3.81Å; V186-L326 HydrophobicContact CG1-CB 4.36Å; V186-L326 HydrophobicContact CG1-CD2 4Å; V186-L326 HydrophobicContact CG1-CG 4.25Å; V186-L326 HydrophobicContact CG2-CG 4.4Å; V186-L326 WeakPolarHBondContact CG2-O 3.43Å
187	G	78.7	Confident	86.3	Confident	23 Å²	23	18 Å²	18	24%	0.237	12%	0.122	C	C	.	.	S	Bend	trans	112.6	10.6	176.8	0	0	0	0	0	116	G185 T189 T190 L191	G185-G187 PolarHBondContact O-N 3.19Å; G187-T189 PolarHBondContact O-N 3.01Å; G187-T190 WeakPolarHBondContact O-CA 3.3Å; G187-T190 WeakPolarHBondContact O-CB 3.49Å; G187-T190 PolarHBondContact O-N 2.69Å; G187-L191 PolarHBondContact O-N 3.12Å
188	K	86.3	Confident	85.9	Confident	17 Å²	17	19 Å²	19	7%	0.074	13%	0.127	C	C	.	.	H	α-helix	trans	-50.1	-53.1	179.3	-63.3	-177	-65.7	-78.6	0	113.4	L180 G182 A183 V186 T190 L191 V192 T306 L326	L180-K188 HydrophobicContact CD2-CB 4.41Å; L180-K188 HydrophobicContact CD2-CG 4.44Å; G182-K188 PolarHBondContact O-NZ 2.83Å; A183-K188 PolarHBondContact O-NZ 3.29Å; V186-K188 HydrophobicContact CG1-CG 3.81Å; K188-T190 VanDerWaalsContact C-N 3.3Å; K188-T190 PolarHBondContact O-N 3.16Å; K188-L191 PolarHBondContact O-N 3.44Å; K188-V192 PolarHBondContact O-N 3.46Å; K188-T306 WeakPolarHBondContact CD-O 3.4Å; K188-T306 WeakPolarHBondContact CE-O 3.4Å; K188-L326 HydrophobicContact CG-CD2 3.97Å
189	T	84.9	Confident	85.8	Confident	43 Å²	43	19 Å²	19	26%	0.264	13%	0.128	S	C	.	.	H	α-helix	trans	-60	-39.4	177.1	-61.2	0	0	0	0	112.1	G187 V192 R193 D258	G187-T189 PolarHBondContact O-N 3.01Å; T189-V192 WeakPolarHBondContact O-CG2 3.45Å; T189-R193 HydrophobicContact CG2-CG 4.48Å; T189-R193 WeakPolarHBondContact O-CB 3.38Å; T189-R193 WeakPolarHBondContact O-CD 3.48Å; T189-R193 WeakPolarHBondContact O-CG 3.15Å; T189-R193 PolarHBondContact O-N 2.87Å; T189-D258 WeakPolarHBondContact CG2-OD2 3.29Å; T189-D258 PolarHBondContact OG1-OD1 3.01Å; T189-D258 VanDerWaalsContact OG1-OD1 3.05Å; T189-D258 PolarHBondContact OG1-OD2 3.48Å
190	T	82.7	Confident	85.5	Confident	65 Å²	65	19.6 Å²	19.6	40%	0.399	13%	0.132	S	C	.	.	H	α-helix	trans	-63.5	-43	176	-49.9	0	0	0	0	111.2	W137 G187 K188 R193 K194	W137-T190 HydrophobicContact CH2-CG2 4.13Å; W137-T190 HydrophobicContact CZ3-CG2 4.05Å; G187-T190 WeakPolarHBondContact O-CA 3.3Å; G187-T190 WeakPolarHBondContact O-CB 3.49Å; G187-T190 PolarHBondContact O-N 2.69Å; K188-T190 VanDerWaalsContact C-N 3.3Å; K188-T190 PolarHBondContact O-N 3.16Å; T190-R193 PolarHBondContact O-N 3Å; T190-K194 PolarHBondContact O-N 3.3Å
191	L	85.7	Confident	85.1	Confident	5 Å²	5	23.2 Å²	23.2	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-65	-46.5	-179.9	-172.8	65	0	0	0	112	I153 D157 L160 L161 L180 G187 K188 R193 K194 A195 L326	I153-L191 HydrophobicContact CG2-CD1 4.39Å; D157-L191 HydrophobicContact CB-CD1 3.91Å; L160-L191 HydrophobicContact CD2-CD2 4.24Å; L161-L191 HydrophobicContact CD1-CD1 3.72Å; L161-L191 HydrophobicContact CD1-CG 4.22Å; L161-L191 HydrophobicContact CD2-CD1 4.38Å; L161-L191 HydrophobicContact CD2-CD2 4.36Å; L161-L191 HydrophobicContact CD2-CG 4.05Å; L161-L191 HydrophobicContact CG-CD1 3.95Å; L161-L191 HydrophobicContact CG-CG 4.18Å; L180-L191 HydrophobicContact CD2-CD2 3.92Å; G187-L191 PolarHBondContact O-N 3.12Å; K188-L191 PolarHBondContact O-N 3.44Å; L191-R193 VanDerWaalsContact C-N 3.34Å; L191-R193 PolarHBondContact O-N 3.21Å; L191-K194 WeakPolarHBondContact O-CB 3.46Å; L191-K194 PolarHBondContact O-N 3.09Å; L191-A195 PolarHBondContact O-N 3.22Å; L191-L326 HydrophobicContact CD2-CD1 4.25Å; L191-L326 HydrophobicContact CD2-CD2 4.25Å
192	V	90.2	Very high	84.6	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-70.7	-30.2	178.8	-63.2	0	0	0	0	113	L180 K188 T189 A195 M196 Y214 I256 D258 L303 T305	L180-V192 HydrophobicContact CD2-CG1 4.39Å; K188-V192 PolarHBondContact O-N 3.46Å; T189-V192 WeakPolarHBondContact O-CG2 3.45Å; V192-A195 WeakPolarHBondContact O-CB 3.46Å; V192-A195 PolarHBondContact O-N 3.44Å; V192-M196 WeakPolarHBondContact O-CG 3.45Å; V192-M196 PolarHBondContact O-N 2.66Å; V192-Y214 HydrophobicContact CG2-CE2 4.23Å; V192-I256 HydrophobicContact CB-CG2 3.83Å; V192-I256 HydrophobicContact CG1-CG2 4.16Å; V192-I256 HydrophobicContact CG2-CG2 4.21Å; V192-D258 HydrophobicContact CG2-CB 4.2Å; V192-L303 HydrophobicContact CG1-CD2 4.02Å; V192-L303 HydrophobicContact CG1-CG 4.47Å; V192-T305 HydrophobicContact CB-CG2 4.4Å; V192-T305 HydrophobicContact CG1-CG2 3.39Å; V192-T305 HydrophobicContact CG2-CG2 4.18Å
193	R	87.3	Confident	84.5	Confident	19 Å²	19	27.6 Å²	27.6	7%	0.072	18%	0.182	C	C	.	.	H	α-helix	trans	-67.7	-37.4	171.3	-73.7	174.8	177.2	-142.9	1.6	111.8	F133 T189 T190 L191 M196 L197 Y214 E470	F133-R193 HydrophobicContact CD1-CB 4.25Å; F133-R193 HydrophobicContact CD1-CG 4.13Å; F133-R193 HydrophobicContact CE1-CG 3.96Å; T189-R193 HydrophobicContact CG2-CG 4.48Å; T189-R193 WeakPolarHBondContact O-CB 3.38Å; T189-R193 WeakPolarHBondContact O-CD 3.48Å; T189-R193 WeakPolarHBondContact O-CG 3.15Å; T189-R193 PolarHBondContact O-N 2.87Å; T190-R193 PolarHBondContact O-N 3Å; L191-R193 VanDerWaalsContact C-N 3.34Å; L191-R193 PolarHBondContact O-N 3.21Å; R193-M196 WeakPolarHBondContact O-CB 3.43Å; R193-M196 PolarHBondContact O-N 3.32Å; R193-L197 PolarHBondContact O-N 3.42Å; R193-L197 VanDerWaalsContact O-N 3.09Å; R193-Y214 HydrophobicContact CG-CE2 4.4Å; R193-Y214 PolarHBondContact NE-OH 2.94Å; R193-E470 IonicContact CZ-OE1 3.18Å; R193-E470 IonicContact CZ-OE2 3.48Å; R193-E470 IonicContact NH1-OE1 3.97Å; R193-E470 PolarHBondContact NH1-OE1 2.71Å; R193-E470 IonicContact NH1-OE2 3.99Å; R193-E470 IonicContact NH2-OE1 3.54Å; R193-E470 PolarHBondContact NH2-OE1 2.88Å; R193-E470 VanDerWaalsContact NH2-OE1 3.08Å; R193-E470 IonicContact NH2-OE2 3.76Å; R193-E470 PolarHBondContact NH2-OE2 3.4Å
194	K	84.5	Confident	84.8	Confident	38 Å²	38	25.9 Å²	25.9	17%	0.165	17%	0.166	C	C	.	.	H	α-helix	trans	-63.8	-44.2	169.6	-173.8	76.2	166.7	75.9	0	111.1	W137 I153 T190 L191 M196 L197 D198	W137-K194 HydrophobicContact CH2-CB 4.25Å; W137-K194 HydrophobicContact CH2-CD 3.88Å; W137-K194 HydrophobicContact CZ2-CD 4.23Å; W137-K194 HydrophobicContact CZ3-CB 4.15Å; W137-K194 HydrophobicContact CZ3-CD 4.19Å; I153-K194 HydrophobicContact CD1-CB 3.24Å; I153-K194 HydrophobicContact CD1-CD 3.74Å; I153-K194 HydrophobicContact CD1-CG 3.22Å; T190-K194 PolarHBondContact O-N 3.3Å; L191-K194 WeakPolarHBondContact O-CB 3.46Å; L191-K194 PolarHBondContact O-N 3.09Å; K194-M196 PolarHBondContact O-N 3.25Å; K194-L197 HydrophobicContact CD-CD2 4.5Å; K194-L197 CarbonylContact O-C 3.59Å; K194-L197 WeakPolarHBondContact O-CA 3.34Å; K194-L197 WeakPolarHBondContact O-CB 3.3Å; K194-L197 PolarHBondContact O-N 3.34Å; K194-D198 WeakPolarHBondContact CG-OD2 3.45Å; K194-D198 IonicContact NZ-OD1 3.08Å; K194-D198 PolarHBondContact NZ-OD1 3.34Å; K194-D198 IonicContact NZ-OD2 2.72Å; K194-D198 PolarHBondContact NZ-OD2 3.03Å; K194-D198 PolarHBondContact O-N 3.05Å
195	A	88.1	Confident	85.2	Confident	3 Å²	3	26.3 Å²	26.3	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-56.8	-39.4	177.5	0	0	0	0	0	111.9	L161 L191 V192 W199 L204	L161-A195 HydrophobicContact CD1-CB 3.97Å; L161-A195 HydrophobicContact CD2-CB 3.87Å; L191-A195 PolarHBondContact O-N 3.22Å; V192-A195 WeakPolarHBondContact O-CB 3.46Å; V192-A195 PolarHBondContact O-N 3.44Å; A195-W199 VanDerWaalsContact O-CB 3.29Å; A195-W199 WeakPolarHBondContact O-CB 3.28Å; A195-W199 PolarHBondContact O-N 3.39Å; A195-L204 HydrophobicContact CB-CD2 3.89Å
196	M	89.6	Confident	85.5	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.4	-45.8	171.7	-74	-61	-61	0	0	112.6	I129 F133 V192 R193 K194 W199 A200 V212 Y214 I256	I129-M196 HydrophobicContact CD1-CE 4.49Å; I129-M196 HydrophobicContact CG2-CE 3.71Å; F133-M196 HydrophobicContact CD2-CB 4.16Å; F133-M196 HydrophobicContact CE2-CB 4.18Å; F133-M196 HydrophobicContact CE2-CE 4.08Å; F133-M196 HydrophobicContact CE2-CG 4.34Å; F133-M196 HydrophobicContact CG-CB 4.39Å; F133-M196 HydrophobicContact CZ-CB 4.41Å; F133-M196 HydrophobicContact CZ-CG 4.28Å; V192-M196 WeakPolarHBondContact O-CG 3.45Å; V192-M196 PolarHBondContact O-N 2.66Å; R193-M196 WeakPolarHBondContact O-CB 3.43Å; R193-M196 PolarHBondContact O-N 3.32Å; K194-M196 PolarHBondContact O-N 3.25Å; M196-W199 HydrophobicContact CE-CE3 4.49Å; M196-A200 WeakPolarHBondContact O-CB 3.44Å; M196-A200 PolarHBondContact O-N 3.04Å; M196-V212 HydrophobicContact CE-CB 4.49Å; M196-V212 HydrophobicContact CE-CG1 4.3Å; M196-V212 HydrophobicContact SD-CB 4.15Å; M196-V212 HydrophobicContact SD-CG1 3.4Å; M196-V212 WeakPolarHBondContact SD-CG1 3.39Å; M196-Y214 HydrophobicContact CG-CD2 4.12Å; M196-I256 HydrophobicContact CG-CD1 4.02Å; M196-I256 HydrophobicContact SD-CD1 3.7Å; M196-I256 HydrophobicContact SD-CG1 4.41Å
197	L	86.6	Confident	85.4	Confident	10 Å²	10	36.7 Å²	36.7	5%	0.052	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-46.5	178.9	-176.6	63.7	0	0	0	111.6	K130 C134 R193 K194 W199 A200 E201	K130-L197 HydrophobicContact CG-CD1 4.22Å; C134-L197 HydrophobicContact CB-CD1 4.37Å; R193-L197 PolarHBondContact O-N 3.42Å; R193-L197 VanDerWaalsContact O-N 3.09Å; K194-L197 HydrophobicContact CD-CD2 4.5Å; K194-L197 CarbonylContact O-C 3.59Å; K194-L197 WeakPolarHBondContact O-CA 3.34Å; K194-L197 WeakPolarHBondContact O-CB 3.3Å; K194-L197 PolarHBondContact O-N 3.34Å; L197-W199 VanDerWaalsContact C-N 3.34Å; L197-W199 PolarHBondContact O-N 3.41Å; L197-A200 PolarHBondContact O-N 3.41Å; L197-E201 HydrophobicContact CD1-CG 4.42Å; L197-E201 WeakPolarHBondContact O-CB 3.25Å; L197-E201 WeakPolarHBondContact O-CG 3.43Å; L197-E201 PolarHBondContact O-N 3.06Å
198	D	86	Confident	85.6	Confident	22 Å²	22	39 Å²	39	12%	0.118	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-38.4	178.2	-81.7	-35.2	0	0	0	112.5	K194 E201 G202 N203 L204	K194-D198 WeakPolarHBondContact CG-OD2 3.45Å; K194-D198 IonicContact NZ-OD1 3.08Å; K194-D198 PolarHBondContact NZ-OD1 3.34Å; K194-D198 IonicContact NZ-OD2 2.72Å; K194-D198 PolarHBondContact NZ-OD2 3.03Å; K194-D198 PolarHBondContact O-N 3.05Å; D198-E201 PolarHBondContact O-N 3.1Å; D198-G202 PolarHBondContact O-N 3.23Å; D198-N203 HydrophobicContact CB-CB 4.14Å; D198-N203 WeakPolarHBondContact O-CA 3.39Å; D198-N203 PolarHBondContact O-N 3.34Å; D198-L204 HydrophobicContact CB-CB 3.74Å; D198-L204 HydrophobicContact CB-CD2 4.4Å; D198-L204 PolarHBondContact O-N 2.86Å
199	W	90.6	Very high	85.8	Confident	1 Å²	1	38.2 Å²	38.2	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-43.4	173.3	169.6	78.5	0	0	0	111.6	Y125 R126 I129 A195 M196 L197 E201 G202 Q206 F209 M210 V212	Y125-W199 AromaticContact CD1-CH2 3.91Å; Y125-W199 HydrophobicContact CD1-CH2 3.91Å; Y125-W199 HydrophobicContact CD1-CZ3 4.47Å; Y125-W199 AromaticContact CE1-CH2 3.62Å; Y125-W199 HydrophobicContact CE1-CH2 3.62Å; Y125-W199 AromaticContact CE1-CZ3 3.99Å; Y125-W199 HydrophobicContact CE1-CZ3 3.99Å; R126-W199 HydrophobicContact CG-CH2 3.85Å; R126-W199 HydrophobicContact CG-CZ2 4.25Å; R126-W199 HydrophobicContact CG-CZ3 4.27Å; I129-W199 HydrophobicContact CG2-CZ3 4.27Å; A195-W199 VanDerWaalsContact O-CB 3.29Å; A195-W199 WeakPolarHBondContact O-CB 3.28Å; A195-W199 PolarHBondContact O-N 3.39Å; M196-W199 HydrophobicContact CE-CE3 4.49Å; L197-W199 VanDerWaalsContact C-N 3.34Å; L197-W199 PolarHBondContact O-N 3.41Å; W199-E201 VanDerWaalsContact C-N 3.29Å; W199-E201 PolarHBondContact O-N 3.37Å; W199-G202 PolarHBondContact O-N 3.35Å; W199-Q206 PolarHBondContact O-NE2 3.48Å; W199-F209 PolarHBondContact NE1-O 3.25Å; W199-M210 WeakPolarHBondContact CZ2-O 3.21Å; W199-V212 HydrophobicContact CB-CG2 4.48Å; W199-V212 HydrophobicContact CD2-CB 3.79Å; W199-V212 HydrophobicContact CD2-CG2 3.43Å; W199-V212 VanDerWaalsContact CD2-CG2 3.43Å; W199-V212 HydrophobicContact CE3-CB 3.9Å; W199-V212 HydrophobicContact CE3-CG2 4.09Å; W199-V212 HydrophobicContact CG-CB 4.31Å; W199-V212 HydrophobicContact CG-CG2 3.57Å; W199-V212 HydrophobicContact CH2-CB 4.35Å; W199-V212 HydrophobicContact CZ2-CB 4.24Å; W199-V212 HydrophobicContact CZ2-CG2 4.03Å; W199-V212 HydrophobicContact CZ3-CB 4.18Å
200	A	87.9	Confident	85.9	Confident	12 Å²	12	39.6 Å²	39.6	10%	0.099	20%	0.201	C	C	.	.	H	α-helix	trans	-65.8	-31.5	177.7	0	0	0	0	0	112.7	I129 K130 M196 L197	I129-A200 HydrophobicContact CB-CB 4.35Å; I129-A200 HydrophobicContact CG2-CB 3.91Å; K130-A200 HydrophobicContact CB-CB 4.13Å; M196-A200 WeakPolarHBondContact O-CB 3.44Å; M196-A200 PolarHBondContact O-N 3.04Å; L197-A200 PolarHBondContact O-N 3.41Å
201	E	85.4	Confident	86.3	Confident	75 Å²	75	37 Å²	37	35%	0.35	18%	0.184	S	C	.	.	H	α-helix	trans	-80.1	-11.6	176.9	-73.6	178.4	165.4	0	0	114.6	K130 L197 D198 W199 N203	K130-E201 HydrophobicContact CD-CG 4.22Å; K130-E201 HydrophobicContact CG-CG 4.48Å; L197-E201 HydrophobicContact CD1-CG 4.42Å; L197-E201 WeakPolarHBondContact O-CB 3.25Å; L197-E201 WeakPolarHBondContact O-CG 3.43Å; L197-E201 PolarHBondContact O-N 3.06Å; D198-E201 PolarHBondContact O-N 3.1Å; W199-E201 VanDerWaalsContact C-N 3.29Å; W199-E201 PolarHBondContact O-N 3.37Å; E201-N203 PolarHBondContact OE2-ND2 3.24Å
202	G	83.4	Confident	86.6	Confident	35 Å²	35	36.8 Å²	36.8	36%	0.361	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.6	3.6	-177.1	0	0	0	0	0	114.9	D198 W199 Q206	D198-G202 PolarHBondContact O-N 3.23Å; W199-G202 PolarHBondContact O-N 3.35Å; G202-Q206 VanDerWaalsContact CA-NE2 3.34Å; G202-Q206 WeakPolarHBondContact O-CG 3.35Å
203	N	83.7	Confident	86.7	Confident	86 Å²	86	37 Å²	37	46%	0.46	18%	0.184	S	C	.	.	S	Bend	trans	-91.2	-17.8	-171.2	-62.6	-37.6	0	0	0	114.2	D198 E201	D198-N203 HydrophobicContact CB-CB 4.14Å; D198-N203 WeakPolarHBondContact O-CA 3.39Å; D198-N203 PolarHBondContact O-N 3.34Å; E201-N203 PolarHBondContact OE2-ND2 3.24Å
204	L	85.3	Confident	86.9	Confident	10 Å²	10	36.6 Å²	36.6	5%	0.052	18%	0.183	C	C	.	.	S	Bend	trans	-135.9	140.3	-175.8	-171.5	69.5	0	0	0	111.8	L161 E162 A195 D198 Q206	L161-L204 HydrophobicContact CB-CD1 4.33Å; L161-L204 HydrophobicContact CB-CD2 4.24Å; L161-L204 HydrophobicContact CD1-CD2 4.37Å; E162-L204 HydrophobicContact CG-CD1 3.94Å; A195-L204 HydrophobicContact CB-CD2 3.89Å; D198-L204 HydrophobicContact CB-CB 3.74Å; D198-L204 HydrophobicContact CB-CD2 4.4Å; D198-L204 PolarHBondContact O-N 2.86Å; L204-Q206 VanDerWaalsContact C-N 3.28Å; L204-Q206 PolarHBondContact O-N 3.09Å; L204-Q206 VanDerWaalsContact O-N 3.12Å; L204-Q206 PolarHBondContact O-NE2 3.33Å
205	Y	87.9	Confident	87.2	Confident	28 Å²	28	35 Å²	35	11%	0.11	18%	0.176	C	C	.	.	S	Bend	trans	56.4	18.1	173	-53.9	-42.1	0	0	0	118.8	L161 F165 Q207 R208 F209 L254	L161-Y205 PolarHBondContact O-OH 3.47Å; F165-Y205 HydrophobicContact CD2-CE1 4.22Å; F165-Y205 AromaticContact CD2-CZ 3.97Å; F165-Y205 HydrophobicContact CE2-CE2 4.47Å; Y205-Q207 VanDerWaalsContact C-N 3.28Å; Y205-Q207 PolarHBondContact O-N 3.01Å; Y205-R208 PolarHBondContact O-N 3.26Å; Y205-F209 HydrophobicContact CD1-CD2 4.48Å; Y205-F209 HydrophobicContact CD1-CE2 4.45Å; Y205-F209 AromaticContact CD2-CD2 3.95Å; Y205-F209 HydrophobicContact CD2-CD2 3.95Å; Y205-F209 HydrophobicContact CD2-CE2 4.29Å; Y205-F209 AromaticContact CG-CD2 3.83Å; Y205-F209 HydrophobicContact CG-CD2 3.83Å; Y205-F209 HydrophobicContact CG-CE2 4.18Å; Y205-F209 PolarHBondContact O-N 3.49Å; Y205-L254 HydrophobicContact CD2-CD2 4.11Å; Y205-L254 HydrophobicContact CE2-CD2 4.07Å
206	Q	80.6	Confident	87.2	Confident	72 Å²	72	35.1 Å²	35.1	34%	0.336	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-34.8	-173.9	-63.8	-52.8	-48.8	0	0	115.1	R126 W199 G202 L204 R208	R126-Q206 VanDerWaalsContact CZ-OE1 3.28Å; W199-Q206 PolarHBondContact O-NE2 3.48Å; G202-Q206 VanDerWaalsContact CA-NE2 3.34Å; G202-Q206 WeakPolarHBondContact O-CG 3.35Å; L204-Q206 VanDerWaalsContact C-N 3.28Å; L204-Q206 PolarHBondContact O-N 3.09Å; L204-Q206 VanDerWaalsContact O-N 3.12Å; L204-Q206 PolarHBondContact O-NE2 3.33Å; Q206-R208 VanDerWaalsContact C-N 3.31Å
207	Q	78.9	Confident	87	Confident	206 Å²	206	35.1 Å²	35.1	96%	0.963	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-3.3	-178.3	-62.3	-169.9	-5.7	0	0	113.5	Y205	Y205-Q207 VanDerWaalsContact C-N 3.28Å; Y205-Q207 PolarHBondContact O-N 3.01Å
208	R	83	Confident	86.7	Confident	71 Å²	71	36.8 Å²	36.8	27%	0.268	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-42.2	-171.7	-172	174.9	-179.9	161	-2.6	113.9	F165 Q174 Y205 Q206	F165-R208 PolarHBondContact O-NH1 3.35Å; Q174-R208 VanDerWaalsContact NE2-CZ 3.29Å; Y205-R208 PolarHBondContact O-N 3.26Å; Q206-R208 VanDerWaalsContact C-N 3.31Å
209	F	90.2	Very high	86.6	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.009	19%	0.185	C	C	.	.			trans	-121.1	115.7	-176.5	-57.4	-55.4	0	0	0	111.1	F165 W199 Y205 V212 S252 L254 S301	F165-F209 HydrophobicContact CD2-CE2 4.22Å; F165-F209 HydrophobicContact CD2-CZ 4.5Å; F165-F209 HydrophobicContact CE2-CE2 4.2Å; W199-F209 PolarHBondContact NE1-O 3.25Å; Y205-F209 HydrophobicContact CD1-CD2 4.48Å; Y205-F209 HydrophobicContact CD1-CE2 4.45Å; Y205-F209 AromaticContact CD2-CD2 3.95Å; Y205-F209 HydrophobicContact CD2-CD2 3.95Å; Y205-F209 HydrophobicContact CD2-CE2 4.29Å; Y205-F209 AromaticContact CG-CD2 3.83Å; Y205-F209 HydrophobicContact CG-CD2 3.83Å; Y205-F209 HydrophobicContact CG-CE2 4.18Å; Y205-F209 PolarHBondContact O-N 3.49Å; F209-V212 HydrophobicContact CB-CG2 4.21Å; F209-S252 CarbonylContact C-O 3.58Å; F209-S252 WeakPolarHBondContact CA-O 3.48Å; F209-L254 HydrophobicContact CB-CB 4.25Å; F209-L254 HydrophobicContact CD1-CB 3.91Å; F209-L254 HydrophobicContact CD2-CB 3.83Å; F209-L254 HydrophobicContact CD2-CD2 3.77Å; F209-L254 HydrophobicContact CD2-CG 4.34Å; F209-L254 HydrophobicContact CE1-CB 4.2Å; F209-L254 HydrophobicContact CE2-CB 4.15Å; F209-L254 HydrophobicContact CE2-CD1 4.44Å; F209-L254 HydrophobicContact CE2-CD2 3.88Å; F209-L254 HydrophobicContact CE2-CG 4.38Å; F209-L254 HydrophobicContact CG-CB 3.73Å; F209-L254 HydrophobicContact CG-CD2 4.49Å; F209-L254 HydrophobicContact CZ-CB 4.32Å; F209-L254 HydrophobicContact CZ-CD1 4.49Å; F209-S301 VanDerWaalsContact CE1-CB 3.47Å; F209-S301 VanDerWaalsContact CE1-OG 3.31Å; F209-S301 WeakPolarHBondContact CE1-OG 3.28Å
210	M	87.5	Confident	86.4	Confident	72 Å²	72	37.8 Å²	37.8	36%	0.355	19%	0.186	S	C	.	.	S	Bend	trans	-72.1	-39.4	176.9	-170.7	177.2	175.1	0	0	110.6	W199 S252	W199-M210 WeakPolarHBondContact CZ2-O 3.21Å; M210-S252 PolarHBondContact N-O 2.9Å
211	Y	89.1	Confident	86.2	Confident	9 Å²	9	38.3 Å²	38.3	4%	0.035	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.7	178.9	-62.4	-79	0	0	0	112.1	Y125 W236 I246 L253 L254	Y125-Y211 HydrophobicContact CD1-CD1 4.2Å; Y125-Y211 HydrophobicContact CE1-CD1 4.48Å; Y211-W236 HydrophobicContact CD1-CH2 4.36Å; Y211-W236 HydrophobicContact CD1-CZ3 4.49Å; Y211-W236 AromaticContact CE1-CH2 3.78Å; Y211-W236 HydrophobicContact CE1-CH2 3.78Å; Y211-W236 HydrophobicContact CE1-CZ3 4.35Å; Y211-I246 HydrophobicContact CD2-CB 4.49Å; Y211-I246 HydrophobicContact CD2-CG1 4.15Å; Y211-I246 HydrophobicContact CD2-CG2 3.88Å; Y211-I246 HydrophobicContact CE1-CD1 4.47Å; Y211-I246 HydrophobicContact CE1-CG1 4.46Å; Y211-I246 HydrophobicContact CE2-CB 4.49Å; Y211-I246 HydrophobicContact CE2-CG1 3.83Å; Y211-I246 HydrophobicContact CE2-CG2 4.36Å; Y211-I246 HydrophobicContact CG-CG2 4.23Å; Y211-L253 HydrophobicContact CD2-CD2 4.07Å; Y211-L253 HydrophobicContact CG-CD2 4.45Å; Y211-L254 PolarHBondContact O-N 2.65Å
212	V	91.9	Very high	85.9	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.7	173.5	-171.6	0	0	0	0	109.5	Y125 M196 W199 F209 L254 I256	Y125-V212 PolarHBondContact OH-O 2.92Å; M196-V212 HydrophobicContact CE-CB 4.49Å; M196-V212 HydrophobicContact CE-CG1 4.3Å; M196-V212 HydrophobicContact SD-CB 4.15Å; M196-V212 HydrophobicContact SD-CG1 3.4Å; M196-V212 WeakPolarHBondContact SD-CG1 3.39Å; W199-V212 HydrophobicContact CB-CG2 4.48Å; W199-V212 HydrophobicContact CD2-CB 3.79Å; W199-V212 HydrophobicContact CD2-CG2 3.43Å; W199-V212 VanDerWaalsContact CD2-CG2 3.43Å; W199-V212 HydrophobicContact CE3-CB 3.9Å; W199-V212 HydrophobicContact CE3-CG2 4.09Å; W199-V212 HydrophobicContact CG-CB 4.31Å; W199-V212 HydrophobicContact CG-CG2 3.57Å; W199-V212 HydrophobicContact CH2-CB 4.35Å; W199-V212 HydrophobicContact CZ2-CB 4.24Å; W199-V212 HydrophobicContact CZ2-CG2 4.03Å; W199-V212 HydrophobicContact CZ3-CB 4.18Å; F209-V212 HydrophobicContact CB-CG2 4.21Å; V212-L254 CarbonylContact C-O 3.51Å; V212-L254 VanDerWaalsContact CA-O 3.31Å; V212-L254 WeakPolarHBondContact CA-O 3.48Å; V212-L254 HydrophobicContact CG1-CB 4.22Å; V212-L254 HydrophobicContact CG1-CD2 3.93Å; V212-L254 HydrophobicContact CG1-CG 4.02Å; V212-L254 HydrophobicContact CG2-CB 4.13Å; V212-L254 HydrophobicContact CG2-CD2 4.18Å; V212-I256 HydrophobicContact CG1-CD1 3.88Å; V212-I256 HydrophobicContact CG1-CG1 3.9Å
213	F	92.4	Very high	86	Confident	5 Å²	5	40 Å²	40	2%	0.022	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.2	-179.5	-65.5	-76.2	0	0	0	111.1	I232 I246 L253 L254 F255 I256	F213-I232 HydrophobicContact CD1-CB 3.82Å; F213-I232 HydrophobicContact CD1-CG2 4.33Å; F213-I232 HydrophobicContact CE1-CB 3.86Å; F213-I232 HydrophobicContact CG-CB 4.29Å; F213-I232 HydrophobicContact CG-CG2 4.33Å; F213-I232 HydrophobicContact CZ-CB 4.35Å; F213-I232 HydrophobicContact CZ-CD1 4.35Å; F213-I246 HydrophobicContact CE2-CG2 4.03Å; F213-I246 HydrophobicContact CZ-CD1 4.41Å; F213-I246 HydrophobicContact CZ-CG2 3.98Å; F213-L253 HydrophobicContact CE2-CD2 4.45Å; F213-L254 PolarHBondContact N-O 3Å; F213-F255 HydrophobicContact CB-CD1 3.69Å; F213-F255 HydrophobicContact CB-CE1 3.9Å; F213-F255 HydrophobicContact CD2-CD1 4.02Å; F213-F255 AromaticContact CD2-CE1 3.47Å; F213-F255 HydrophobicContact CD2-CE1 3.47Å; F213-F255 VanDerWaalsContact CD2-CE1 3.47Å; F213-F255 HydrophobicContact CD2-CZ 4.02Å; F213-F255 HydrophobicContact CE2-CE1 4.28Å; F213-F255 HydrophobicContact CG-CD1 4.22Å; F213-F255 AromaticContact CG-CE1 3.92Å; F213-F255 HydrophobicContact CG-CE1 3.92Å; F213-I256 PolarHBondContact O-N 3.46Å
214	Y	91.9	Very high	86	Confident	10 Å²	10	44.6 Å²	44.6	4%	0.039	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	116.3	179.4	-179.2	-97.7	0	0	0	111.7	F133 V192 R193 M196 N216 K234 I256 D258	F133-Y214 HydrophobicContact CE1-CD1 4.29Å; F133-Y214 HydrophobicContact CE1-CE1 4.34Å; F133-Y214 HydrophobicContact CE1-CG 4.42Å; F133-Y214 AromaticContact CZ-CD1 3.75Å; F133-Y214 HydrophobicContact CZ-CD1 3.75Å; F133-Y214 HydrophobicContact CZ-CD2 4.33Å; F133-Y214 HydrophobicContact CZ-CE1 4.25Å; F133-Y214 AromaticContact CZ-CG 3.78Å; F133-Y214 HydrophobicContact CZ-CG 3.78Å; V192-Y214 HydrophobicContact CG2-CE2 4.23Å; R193-Y214 HydrophobicContact CG-CE2 4.4Å; R193-Y214 PolarHBondContact NE-OH 2.94Å; M196-Y214 HydrophobicContact CG-CD2 4.12Å; Y214-N216 HydrophobicContact CE1-CB 3.83Å; Y214-N216 PolarHBondContact OH-ND2 3.06Å; Y214-N216 VanDerWaalsContact OH-ND2 3.09Å; Y214-K234 PolarHBondContact O-NZ 3.32Å; Y214-I256 HydrophobicContact CD2-CB 4.36Å; Y214-I256 HydrophobicContact CD2-CG2 4.02Å; Y214-I256 HydrophobicContact CE2-CG2 4.4Å; Y214-D258 HydrophobicContact CE2-CB 3.64Å; Y214-D258 PolarHBondContact OH-OD2 2.89Å
215	L	91.6	Very high	86.2	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	109	-178.6	-67.7	-175.7	0	0	0	109.4	I220 F255 I256 I257 D258 M288 L291	L215-I220 HydrophobicContact CB-CD1 3.84Å; L215-F255 HydrophobicContact CD1-CD1 4.39Å; L215-I256 PolarHBondContact N-O 2.74Å; L215-I257 HydrophobicContact CB-CG1 4.4Å; L215-I257 HydrophobicContact CD1-CG1 4.34Å; L215-I257 WeakPolarHBondContact O-CA 3.3Å; L215-D258 PolarHBondContact O-N 2.98Å; L215-M288 HydrophobicContact CD1-CE 4.36Å; L215-M288 HydrophobicContact CD1-SD 4.25Å; L215-L291 HydrophobicContact CD1-CD2 4.12Å
216	N	87.8	Confident	86.3	Confident	6 Å²	6	54 Å²	54	3%	0.032	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128.6	-179.9	-171.8	-67.6	0	0	0	111.2	Y214 R218 E219 I220	Y214-N216 HydrophobicContact CE1-CB 3.83Å; Y214-N216 PolarHBondContact OH-ND2 3.06Å; Y214-N216 VanDerWaalsContact OH-ND2 3.09Å; N216-R218 VanDerWaalsContact C-N 3.27Å; N216-R218 PolarHBondContact O-N 3.39Å; N216-R218 VanDerWaalsContact OD1-CB 3.25Å; N216-R218 WeakPolarHBondContact OD1-CB 3.44Å; N216-R218 WeakPolarHBondContact OD1-CG 2.98Å; N216-R218 PolarHBondContact OD1-N 3.23Å; N216-E219 HydrophobicContact CB-CB 4.18Å; N216-E219 WeakPolarHBondContact O-CB 3.41Å; N216-E219 PolarHBondContact O-N 3.22Å; N216-E219 VanDerWaalsContact O-N 3.12Å; N216-I220 WeakPolarHBondContact O-CG1 3.47Å; N216-I220 PolarHBondContact O-N 2.83Å
217	G	84.9	Confident	86.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-56.3	-35.4	179.7	0	0	0	0	0	114.6	E219 I220 N221 D258	G217-E219 PolarHBondContact O-N 3.41Å; G217-I220 PolarHBondContact O-N 3.08Å; G217-N221 VanDerWaalsContact O-CG 3.31Å; G217-N221 PolarHBondContact O-N 3.26Å; G217-N221 VanDerWaalsContact O-N 3.09Å; G217-N221 PolarHBondContact O-ND2 3.37Å; G217-D258 PolarHBondContact N-O 3.41Å
218	R	81.3	Confident	87.3	Confident	44 Å²	44	41 Å²	41	17%	0.166	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-35.8	178.3	-57.2	-175	-178.4	-166.9	-3.1	112.9	N216 Q222 E262 D468 Y471	N216-R218 VanDerWaalsContact C-N 3.27Å; N216-R218 PolarHBondContact O-N 3.39Å; N216-R218 VanDerWaalsContact OD1-CB 3.25Å; N216-R218 WeakPolarHBondContact OD1-CB 3.44Å; N216-R218 WeakPolarHBondContact OD1-CG 2.98Å; N216-R218 PolarHBondContact OD1-N 3.23Å; R218-Q222 PolarHBondContact O-NE2 3.07Å; R218-E262 WeakPolarHBondContact CD-OE2 3.31Å; R218-E262 WeakPolarHBondContact CG-OE2 3.39Å; R218-E262 IonicContact CZ-OE1 2.67Å; R218-E262 IonicContact CZ-OE2 3.89Å; R218-E262 IonicContact NE-OE1 3.57Å; R218-E262 PolarHBondContact NE-OE1 3.04Å; R218-E262 IonicContact NE-OE2 2.68Å; R218-E262 PolarHBondContact NE-OE2 3.44Å; R218-E262 IonicContact NH2-OE1 2.64Å; R218-E262 PolarHBondContact NH2-OE1 3.12Å; R218-E262 IonicContact NH2-OE2 3.66Å; R218-D468 IonicContact CZ-OD2 3.75Å; R218-D468 IonicContact NE-OD2 2.78Å; R218-D468 IonicContact NH1-OD2 3.48Å; R218-D468 PolarHBondContact NH1-OD2 3.31Å; R218-Y471 HydrophobicContact CB-CD2 4.11Å; R218-Y471 HydrophobicContact CB-CE2 4.04Å
219	E	83.6	Confident	87.5	Confident	40 Å²	40	38.5 Å²	38.5	19%	0.187	18%	0.177	C	C	.	.	H	α-helix	trans	-70.6	-50	176.8	-163.9	-176.6	155.3	0	0	109.9	N216 G217 N221 Q222 K234 Y471	N216-E219 HydrophobicContact CB-CB 4.18Å; N216-E219 WeakPolarHBondContact O-CB 3.41Å; N216-E219 PolarHBondContact O-N 3.22Å; N216-E219 VanDerWaalsContact O-N 3.12Å; G217-E219 PolarHBondContact O-N 3.41Å; E219-N221 VanDerWaalsContact C-N 3.27Å; E219-N221 PolarHBondContact O-N 3.31Å; E219-Q222 WeakPolarHBondContact O-CB 3.28Å; E219-Q222 PolarHBondContact O-N 3.21Å; E219-K234 VanDerWaalsContact OE1-CD 3.27Å; E219-K234 WeakPolarHBondContact OE1-CD 3.44Å; E219-K234 IonicContact OE1-NZ 3.74Å; E219-K234 PolarHBondContact OE1-NZ 3.48Å; E219-K234 IonicContact OE2-NZ 3.85Å; E219-K234 PolarHBondContact OE2-NZ 3.06Å; E219-Y471 HydrophobicContact CB-CE1 4.03Å; E219-Y471 WeakPolarHBondContact CB-OH 3.25Å; E219-Y471 HydrophobicContact CG-CE1 4.05Å; E219-Y471 PolarHBondContact OE2-OH 3.22Å
220	I	86.4	Confident	87.3	Confident	4 Å²	4	41.3 Å²	41.3	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-56.8	-42.1	-177.8	-74.5	173.3	0	0	0	111.1	L215 N216 G217 Q222 L223 L263 F265 V284 M288	L215-I220 HydrophobicContact CB-CD1 3.84Å; N216-I220 WeakPolarHBondContact O-CG1 3.47Å; N216-I220 PolarHBondContact O-N 2.83Å; G217-I220 PolarHBondContact O-N 3.08Å; I220-Q222 PolarHBondContact O-N 3.33Å; I220-Q222 VanDerWaalsContact O-N 3.13Å; I220-L223 PolarHBondContact O-N 2.97Å; I220-L223 VanDerWaalsContact O-N 3.14Å; I220-L263 HydrophobicContact CB-CD2 3.96Å; I220-L263 HydrophobicContact CG2-CD2 3.6Å; I220-F265 HydrophobicContact CG2-CE2 3.55Å; I220-F265 HydrophobicContact CG2-CZ 3.78Å; I220-V284 HydrophobicContact CG2-CG1 3.68Å; I220-M288 HydrophobicContact CD1-CE 3.91Å; I220-M288 HydrophobicContact CD1-CG 4.4Å; I220-M288 HydrophobicContact CD1-SD 3.7Å; I220-M288 HydrophobicContact CG2-CG 3.93Å
221	N	83.3	Confident	87.3	Confident	24 Å²	24	38.3 Å²	38.3	13%	0.128	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-20	177.7	-79.6	-17.6	0	0	0	115	G217 E219 E262 L263 N264 Y442	G217-N221 VanDerWaalsContact O-CG 3.31Å; G217-N221 PolarHBondContact O-N 3.26Å; G217-N221 VanDerWaalsContact O-N 3.09Å; G217-N221 PolarHBondContact O-ND2 3.37Å; E219-N221 VanDerWaalsContact C-N 3.27Å; E219-N221 PolarHBondContact O-N 3.31Å; N221-E262 PolarHBondContact ND2-O 2.73Å; N221-L263 WeakPolarHBondContact OD1-CA 3.3Å; N221-N264 PolarHBondContact OD1-N 2.72Å; N221-N264 VanDerWaalsContact OD1-N 3.12Å; N221-N264 PolarHBondContact OD1-OD1 2.97Å; N221-Y442 WeakPolarHBondContact CB-OH 3.25Å; N221-Y442 PolarHBondContact ND2-OH 3.41Å
222	Q	80	Confident	87.1	Confident	100 Å²	100	38.1 Å²	38.1	47%	0.467	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-15	-179.2	-66.3	172.8	53	0	0	112.4	R218 E219 I220 Y442	R218-Q222 PolarHBondContact O-NE2 3.07Å; E219-Q222 WeakPolarHBondContact O-CB 3.28Å; E219-Q222 PolarHBondContact O-N 3.21Å; I220-Q222 PolarHBondContact O-N 3.33Å; I220-Q222 VanDerWaalsContact O-N 3.13Å; Q222-Y442 HydrophobicContact CG-CE1 4.36Å
223	L	84.1	Confident	86.8	Confident	45 Å²	45	39.3 Å²	39.3	24%	0.236	18%	0.183	C	C	.	.			trans	-89.7	135.4	-178.8	-57.3	175.1	0	0	0	109.5	I220 L231 V284	I220-L223 PolarHBondContact O-N 2.97Å; I220-L223 VanDerWaalsContact O-N 3.14Å; L223-L231 HydrophobicContact CD1-CD2 3.48Å; L223-L231 VanDerWaalsContact CD1-CD2 3.48Å; L223-V284 HydrophobicContact CB-CB 4.4Å; L223-V284 HydrophobicContact CB-CG2 3.76Å
224	K	83.4	Confident	86.2	Confident	183 Å²	183	41.8 Å²	41.8	80%	0.796	19%	0.194	S	C	*	.			trans	-93.6	-72.1	179	-68.5	-174.4	178.5	-177.5	0	111.3	P283 V284	K224-P283 WeakPolarHBondContact O-CA 3.26Å; K224-V284 PolarHBondContact O-N 3.16Å
225	E	90.1	Very high	85.6	Confident	134 Å²	134	42 Å²	42	63%	0.626	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.6	-178.8	-70.6	170.1	-176.6	0	0	109.2	H282	E225-H282 WeakPolarHBondContact CA-O 3.39Å
226	R	90.6	Very high	85	Confident	100 Å²	100	42.2 Å²	42.2	38%	0.377	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	163.3	-179	-77.5	-83.2	173.8	150.5	-6.7	107.5	Q230 L231 E281 H282 V284 L287	R226-Q230 VanDerWaalsContact CD-OE1 3.31Å; R226-L231 HydrophobicContact CB-CD2 4.31Å; R226-L231 HydrophobicContact CB-CG 4.21Å; R226-L231 HydrophobicContact CG-CD2 4.29Å; R226-E281 WeakPolarHBondContact O-CA 3.31Å; R226-H282 PolarHBondContact N-O 3.2Å; R226-H282 PolarHBondContact O-N 3.34Å; R226-V284 HydrophobicContact CB-CG2 4.02Å; R226-V284 HydrophobicContact CG-CG2 4.25Å; R226-L287 VanDerWaalsContact O-CD1 3.25Å; R226-L287 WeakPolarHBondContact O-CD1 3.47Å
227	S	90.4	Very high	84.2	Confident	7 Å²	7	44.1 Å²	44.1	5%	0.049	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	159.1	158.2	71	0	0	0	0	111.3	A229 Q230 L231 T279 Q280	S227-A229 VanDerWaalsContact C-N 3.26Å; S227-A229 PolarHBondContact O-N 3.2Å; S227-Q230 PolarHBondContact O-N 2.81Å; S227-Q230 VanDerWaalsContact OG-CG 3.26Å; S227-Q230 WeakPolarHBondContact OG-CG 3.23Å; S227-Q230 PolarHBondContact OG-N 2.88Å; S227-L231 PolarHBondContact O-N 2.89Å; S227-T279 WeakPolarHBondContact CB-O 3.37Å; S227-Q280 WeakPolarHBondContact CA-O 3.47Å; S227-Q280 WeakPolarHBondContact CB-O 3.19Å
228	F	89.1	Confident	83.3	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-35.9	176.9	-169.2	-103.9	0	0	0	111.3	Q230 L231 I232 F255 W278 L287 L291 M296 L297	F228-Q230 VanDerWaalsContact C-N 3.32Å; F228-Q230 PolarHBondContact O-N 3.49Å; F228-L231 HydrophobicContact CD2-CD1 4.24Å; F228-L231 WeakPolarHBondContact O-CB 3.42Å; F228-L231 PolarHBondContact O-N 2.59Å; F228-L231 VanDerWaalsContact O-N 3.08Å; F228-I232 HydrophobicContact CD1-CD1 4.47Å; F228-I232 HydrophobicContact CD1-CG2 4.45Å; F228-I232 HydrophobicContact CE1-CD1 4.33Å; F228-I232 HydrophobicContact CE1-CG2 3.94Å; F228-I232 HydrophobicContact CZ-CG2 3.99Å; F228-I232 PolarHBondContact O-N 3.4Å; F228-F255 HydrophobicContact CE1-CE1 4.01Å; F228-F255 AromaticContact CE1-CZ 3.93Å; F228-F255 HydrophobicContact CE1-CZ 3.93Å; F228-F255 HydrophobicContact CZ-CD1 4.25Å; F228-F255 AromaticContact CZ-CE1 3.72Å; F228-F255 HydrophobicContact CZ-CE1 3.72Å; F228-F255 AromaticContact CZ-CZ 3.94Å; F228-F255 HydrophobicContact CZ-CZ 3.94Å; F228-W278 HydrophobicContact CB-CB 4.07Å; F228-W278 HydrophobicContact CD1-CB 4.24Å; F228-W278 PolarHBondContact N-O 2.92Å; F228-L287 HydrophobicContact CB-CD1 4.44Å; F228-L287 HydrophobicContact CB-CD2 4.44Å; F228-L291 HydrophobicContact CE2-CD1 4.48Å; F228-L291 HydrophobicContact CE2-CD2 3.94Å; F228-L291 HydrophobicContact CZ-CD1 4.05Å; F228-L291 HydrophobicContact CZ-CD2 4.01Å; F228-M296 HydrophobicContact CB-CE 4.46Å; F228-M296 HydrophobicContact CB-SD 3.74Å; F228-M296 HydrophobicContact CD1-SD 3.92Å; F228-M296 HydrophobicContact CD2-SD 3.91Å; F228-M296 HydrophobicContact CG-SD 3.57Å; F228-M296 VanDerWaalsContact CG-SD 3.57Å; F228-L297 HydrophobicContact CD1-CD1 4.38Å; F228-L297 HydrophobicContact CE1-CD1 3.63Å; F228-L297 HydrophobicContact CZ-CD1 4.32Å
229	A	87.4	Confident	82.2	Confident	17 Å²	17	51.7 Å²	51.7	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-52.9	-47.7	171.8	0	0	0	0	0	112.6	S227 L231 I232 S233 I243 W278	S227-A229 VanDerWaalsContact C-N 3.26Å; S227-A229 PolarHBondContact O-N 3.2Å; A229-L231 VanDerWaalsContact C-N 3.27Å; A229-L231 PolarHBondContact O-N 2.79Å; A229-I232 WeakPolarHBondContact O-CG1 3.44Å; A229-I232 PolarHBondContact O-N 3.46Å; A229-S233 WeakPolarHBondContact O-CB 3.31Å; A229-S233 PolarHBondContact O-N 3.17Å; A229-S233 PolarHBondContact O-OG 3.31Å; A229-S233 VanDerWaalsContact O-OG 3.1Å; A229-I243 HydrophobicContact CB-CG2 4.08Å; A229-W278 HydrophobicContact CB-CE3 3.84Å; A229-W278 HydrophobicContact CB-CZ3 4Å; A229-W278 PolarHBondContact N-O 2.92Å
230	Q	86.4	Confident	81.1	Confident	62 Å²	62	58 Å²	58	29%	0.29	29%	0.293	S	S	.	.	H	α-helix	trans	-67.3	-25.5	179.6	-70.2	166.5	-3.5	0	0	113	R226 S227 F228 S233 E281	R226-Q230 VanDerWaalsContact CD-OE1 3.31Å; S227-Q230 PolarHBondContact O-N 2.81Å; S227-Q230 VanDerWaalsContact OG-CG 3.26Å; S227-Q230 WeakPolarHBondContact OG-CG 3.23Å; S227-Q230 PolarHBondContact OG-N 2.88Å; F228-Q230 VanDerWaalsContact C-N 3.32Å; F228-Q230 PolarHBondContact O-N 3.49Å; Q230-S233 WeakPolarHBondContact CA-OG 3.19Å; Q230-E281 PolarHBondContact NE2-OE1 3.41Å
231	L	86.8	Confident	80	Confident	9 Å²	9	58.5 Å²	58.5	5%	0.047	30%	0.299	C	S	.	.	H	α-helix	trans	-72.5	-37.2	177	-73.4	172.3	0	0	0	111.8	L223 R226 S227 F228 A229 V284 L287	L223-L231 HydrophobicContact CD1-CD2 3.48Å; L223-L231 VanDerWaalsContact CD1-CD2 3.48Å; R226-L231 HydrophobicContact CB-CD2 4.31Å; R226-L231 HydrophobicContact CB-CG 4.21Å; R226-L231 HydrophobicContact CG-CD2 4.29Å; S227-L231 PolarHBondContact O-N 2.89Å; F228-L231 HydrophobicContact CD2-CD1 4.24Å; F228-L231 WeakPolarHBondContact O-CB 3.42Å; F228-L231 PolarHBondContact O-N 2.59Å; F228-L231 VanDerWaalsContact O-N 3.08Å; A229-L231 VanDerWaalsContact C-N 3.27Å; A229-L231 PolarHBondContact O-N 2.79Å; L231-V284 HydrophobicContact CD1-CG1 4.31Å; L231-V284 HydrophobicContact CD2-CG2 4.47Å; L231-L287 HydrophobicContact CD1-CD1 3.8Å
232	I	86.8	Confident	79.7	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-92.2	-22.5	-176.1	65.1	172.5	0	0	0	112.8	F213 F228 A229 K234 I243 I247 F255	F213-I232 HydrophobicContact CD1-CB 3.82Å; F213-I232 HydrophobicContact CD1-CG2 4.33Å; F213-I232 HydrophobicContact CE1-CB 3.86Å; F213-I232 HydrophobicContact CG-CB 4.29Å; F213-I232 HydrophobicContact CG-CG2 4.33Å; F213-I232 HydrophobicContact CZ-CB 4.35Å; F213-I232 HydrophobicContact CZ-CD1 4.35Å; F228-I232 HydrophobicContact CD1-CD1 4.47Å; F228-I232 HydrophobicContact CD1-CG2 4.45Å; F228-I232 HydrophobicContact CE1-CD1 4.33Å; F228-I232 HydrophobicContact CE1-CG2 3.94Å; F228-I232 HydrophobicContact CZ-CG2 3.99Å; F228-I232 PolarHBondContact O-N 3.4Å; A229-I232 WeakPolarHBondContact O-CG1 3.44Å; A229-I232 PolarHBondContact O-N 3.46Å; I232-K234 VanDerWaalsContact C-N 3.33Å; I232-K234 PolarHBondContact O-N 3.47Å; I232-I243 HydrophobicContact CD1-CD1 4.02Å; I232-I243 HydrophobicContact CD1-CG2 3.88Å; I232-I243 HydrophobicContact CG1-CD1 3.88Å; I232-I243 HydrophobicContact CG1-CG2 4.45Å; I232-I247 HydrophobicContact CD1-CD1 4.27Å; I232-F255 HydrophobicContact CG2-CE1 3.89Å
233	S	84.7	Confident	79.7	Confident	26 Å²	26	55 Å²	55	18%	0.182	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-79.2	-8.7	176.1	68.1	0	0	0	0	114.6	A229 Q230 D235 W236	A229-S233 WeakPolarHBondContact O-CB 3.31Å; A229-S233 PolarHBondContact O-N 3.17Å; A229-S233 PolarHBondContact O-OG 3.31Å; A229-S233 VanDerWaalsContact O-OG 3.1Å; Q230-S233 WeakPolarHBondContact CA-OG 3.19Å; S233-D235 PolarHBondContact O-N 2.92Å; S233-D235 VanDerWaalsContact O-N 3.1Å; S233-W236 WeakPolarHBondContact O-CB 3.42Å; S233-W236 PolarHBondContact O-N 3.13Å
234	K	80.4	Confident	79.4	Confident	57 Å²	57	60.4 Å²	60.4	25%	0.248	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-56.1	-32	-175.2	74.3	-178.6	-178.1	-176.5	0	114.6	R128 Y214 E219 I232	R128-K234 PolarHBondContact NH2-O 3.49Å; Y214-K234 PolarHBondContact O-NZ 3.32Å; E219-K234 VanDerWaalsContact OE1-CD 3.27Å; E219-K234 WeakPolarHBondContact OE1-CD 3.44Å; E219-K234 IonicContact OE1-NZ 3.74Å; E219-K234 PolarHBondContact OE1-NZ 3.48Å; E219-K234 IonicContact OE2-NZ 3.85Å; E219-K234 PolarHBondContact OE2-NZ 3.06Å; I232-K234 VanDerWaalsContact C-N 3.33Å; I232-K234 PolarHBondContact O-N 3.47Å
235	D	78.3	Confident	79	Confident	16 Å²	16	53.6 Å²	53.6	9%	0.086	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-98.1	9.3	-176.6	-73.7	-39.8	0	0	0	111.7	Y125 R128 I129 K132 S233	Y125-D235 HydrophobicContact CE2-CB 4.13Å; R128-D235 WeakPolarHBondContact CD-O 3.48Å; R128-D235 PolarHBondContact NE-O 3.1Å; I129-D235 HydrophobicContact CD1-CB 4.15Å; K132-D235 IonicContact NZ-OD1 2.75Å; K132-D235 PolarHBondContact NZ-OD1 3.08Å; K132-D235 IonicContact NZ-OD2 3.05Å; K132-D235 PolarHBondContact NZ-OD2 3.44Å; S233-D235 PolarHBondContact O-N 2.92Å; S233-D235 VanDerWaalsContact O-N 3.1Å
236	W	80.4	Confident	78.7	Confident	8 Å²	8	47.5 Å²	47.5	3%	0.03	26%	0.262	C	S	.	.	S	Bend	trans	-85	141	-179.9	-146.8	-94.6	0	0	0	112.4	D121 Y125 R128 Y211 S233 S238 G241 P242 I246	D121-W236 HydrophobicContact CB-CZ2 4.15Å; Y125-W236 HydrophobicContact CD1-CZ3 4.06Å; Y125-W236 HydrophobicContact CD2-CD2 4.29Å; Y125-W236 AromaticContact CD2-CE3 3.45Å; Y125-W236 HydrophobicContact CD2-CE3 3.45Å; Y125-W236 VanDerWaalsContact CD2-CE3 3.45Å; Y125-W236 AromaticContact CD2-CZ3 3.59Å; Y125-W236 HydrophobicContact CD2-CZ3 3.59Å; Y125-W236 HydrophobicContact CE2-CE3 4.01Å; Y125-W236 HydrophobicContact CE2-CZ3 4.17Å; Y125-W236 AromaticContact CG-CE3 3.87Å; Y125-W236 HydrophobicContact CG-CE3 3.87Å; Y125-W236 HydrophobicContact CG-CH2 4.09Å; Y125-W236 AromaticContact CG-CZ3 3.53Å; Y125-W236 HydrophobicContact CG-CZ3 3.53Å; R128-W236 PolarHBondContact NH1-O 3.3Å; Y211-W236 HydrophobicContact CD1-CH2 4.36Å; Y211-W236 HydrophobicContact CD1-CZ3 4.49Å; Y211-W236 AromaticContact CE1-CH2 3.78Å; Y211-W236 HydrophobicContact CE1-CH2 3.78Å; Y211-W236 HydrophobicContact CE1-CZ3 4.35Å; S233-W236 WeakPolarHBondContact O-CB 3.42Å; S233-W236 PolarHBondContact O-N 3.13Å; W236-S238 VanDerWaalsContact CD1-OG 3.29Å; W236-S238 PolarHBondContact O-N 2.86Å; W236-G241 VanDerWaalsContact CD1-CA 3.48Å; W236-P242 HydrophobicContact CH2-CG 4.29Å; W236-P242 HydrophobicContact CZ2-CG 3.63Å; W236-I246 HydrophobicContact CH2-CD1 3.58Å; W236-I246 HydrophobicContact CZ2-CD1 4.37Å; W236-I246 HydrophobicContact CZ3-CD1 3.68Å
237	P	69	Low	78.4	Confident	46 Å²	46	43.6 Å²	43.6	30%	0.299	25%	0.249	S	C	.	.	S	Bend	trans	-55.9	-40	177	-26.8	35	0	0	0	115.1	E124 R128	E124-P237 HydrophobicContact CB-CG 4.22Å; E124-P237 HydrophobicContact CG-CB 4.27Å; E124-P237 HydrophobicContact CG-CG 3.69Å; E124-P237 WeakPolarHBondContact OE1-CB 3.38Å; R128-P237 VanDerWaalsContact NH1-CA 3.31Å
238	S	68.1	Low	78	Confident	57 Å²	57	47.2 Å²	47.2	40%	0.399	28%	0.275	S	S	.	.	S	Bend	trans	-94.4	159.8	176.5	62.1	0	0	0	0	113.1	W236 E240	W236-S238 VanDerWaalsContact CD1-OG 3.29Å; W236-S238 PolarHBondContact O-N 2.86Å; S238-E240 VanDerWaalsContact C-N 3.29Å; S238-E240 PolarHBondContact O-N 2.84Å; S238-E240 PolarHBondContact OG-O 2.84Å
239	T	57.4	Low	77.8	Confident	146 Å²	146	52.5 Å²	52.5	90%	0.896	30%	0.299	S	S	*	.	S	Bend	trans	-67.8	-23.6	177	21.1	0	0	0	0	114.3
240	E	60.4	Low	77.8	Confident	173 Å²	173	53 Å²	53	81%	0.808	30%	0.301	S	S	*	.	S	Bend	trans	-126.2	101.4	171.9	-69	179.9	179.3	0	0	107.1	S238	S238-E240 VanDerWaalsContact C-N 3.29Å; S238-E240 PolarHBondContact O-N 2.84Å; S238-E240 PolarHBondContact OG-O 2.84Å
241	G	63.6	Low	77.8	Confident	14 Å²	14	53.4 Å²	53.4	14%	0.144	31%	0.311	C	S	.	.			trans	-72.5	161.7	171	0	0	0	0	0	110.8	W236 I243	W236-G241 VanDerWaalsContact CD1-CA 3.48Å; G241-I243 PolarHBondContact O-N 3.01Å
242	P	76.3	Confident	78	Confident	39 Å²	39	53.8 Å²	53.8	25%	0.253	31%	0.314	S	S	.	.			trans	-74.7	52.8	179.4	34	-35.9	0	0	0	111.6	D121 W236 E244 G245 I246	D121-P242 HydrophobicContact CB-CG 4.31Å; W236-P242 HydrophobicContact CH2-CG 4.29Å; W236-P242 HydrophobicContact CZ2-CG 3.63Å; P242-E244 VanDerWaalsContact C-N 3.28Å; P242-E244 PolarHBondContact O-N 2.75Å; P242-G245 PolarHBondContact O-N 2.91Å; P242-G245 VanDerWaalsContact O-N 3.11Å; P242-I246 HydrophobicContact CG-CD1 4.27Å; P242-I246 WeakPolarHBondContact O-CG1 3.47Å; P242-I246 PolarHBondContact O-N 3.46Å
243	I	79.3	Confident	78.3	Confident	12 Å²	12	53.5 Å²	53.5	6%	0.062	31%	0.313	C	S	.	.	H	α-helix	trans	-61	-37.2	-171.6	-60.3	-50.5	0	0	0	111.7	A229 I232 G241 G245 I246 I247 W278	A229-I243 HydrophobicContact CB-CG2 4.08Å; I232-I243 HydrophobicContact CD1-CD1 4.02Å; I232-I243 HydrophobicContact CD1-CG2 3.88Å; I232-I243 HydrophobicContact CG1-CD1 3.88Å; I232-I243 HydrophobicContact CG1-CG2 4.45Å; G241-I243 PolarHBondContact O-N 3.01Å; I243-G245 VanDerWaalsContact C-N 3.34Å; I243-G245 PolarHBondContact O-N 2.91Å; I243-I246 HydrophobicContact CD1-CD1 4.14Å; I243-I246 PolarHBondContact O-N 2.9Å; I243-I247 HydrophobicContact CG2-CD1 3.49Å; I243-I247 VanDerWaalsContact CG2-CD1 3.49Å; I243-I247 HydrophobicContact CG2-CG1 4.09Å; I243-I247 WeakPolarHBondContact O-CB 3.39Å; I243-I247 WeakPolarHBondContact O-CG1 3.41Å; I243-I247 PolarHBondContact O-N 3.09Å; I243-W278 HydrophobicContact CB-CZ3 4.2Å; I243-W278 HydrophobicContact CG2-CE3 3.85Å; I243-W278 HydrophobicContact CG2-CH2 4.2Å; I243-W278 HydrophobicContact CG2-CZ3 3.48Å; I243-W278 VanDerWaalsContact CG2-CZ3 3.48Å
244	E	77.9	Confident	78.8	Confident	158 Å²	158	52.3 Å²	52.3	74%	0.738	30%	0.304	S	S	*	.	H	α-helix	trans	-62.5	-41.2	177.3	-165.6	172.7	-169.9	0	0	111.7	P242 S248 W278	P242-E244 VanDerWaalsContact C-N 3.28Å; P242-E244 PolarHBondContact O-N 2.75Å; E244-S248 PolarHBondContact O-N 2.87Å; E244-W278 HydrophobicContact CB-CH2 4.04Å; E244-W278 HydrophobicContact CG-CH2 4.33Å; E244-W278 HydrophobicContact CG-CZ2 4.4Å
245	G	76.4	Confident	79.5	Confident	40 Å²	40	49.6 Å²	49.6	41%	0.412	29%	0.292	S	S	.	.	H	α-helix	trans	-67.5	-38.6	173.8	0	0	0	0	0	112.8	P242 I243 S248	P242-G245 PolarHBondContact O-N 2.91Å; P242-G245 VanDerWaalsContact O-N 3.11Å; I243-G245 VanDerWaalsContact C-N 3.34Å; I243-G245 PolarHBondContact O-N 2.91Å; G245-S248 WeakPolarHBondContact O-CB 3.38Å; G245-S248 PolarHBondContact O-N 3.2Å; G245-S248 PolarHBondContact O-OG 2.93Å
246	I	82.9	Confident	80.3	Confident	5 Å²	5	49 Å²	49	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-45.3	178.4	-65.3	167.6	0	0	0	111.2	Y211 F213 W236 P242 I243 S248 L253	Y211-I246 HydrophobicContact CD2-CB 4.49Å; Y211-I246 HydrophobicContact CD2-CG1 4.15Å; Y211-I246 HydrophobicContact CD2-CG2 3.88Å; Y211-I246 HydrophobicContact CE1-CD1 4.47Å; Y211-I246 HydrophobicContact CE1-CG1 4.46Å; Y211-I246 HydrophobicContact CE2-CB 4.49Å; Y211-I246 HydrophobicContact CE2-CG1 3.83Å; Y211-I246 HydrophobicContact CE2-CG2 4.36Å; Y211-I246 HydrophobicContact CG-CG2 4.23Å; F213-I246 HydrophobicContact CE2-CG2 4.03Å; F213-I246 HydrophobicContact CZ-CD1 4.41Å; F213-I246 HydrophobicContact CZ-CG2 3.98Å; W236-I246 HydrophobicContact CH2-CD1 3.58Å; W236-I246 HydrophobicContact CZ2-CD1 4.37Å; W236-I246 HydrophobicContact CZ3-CD1 3.68Å; P242-I246 HydrophobicContact CG-CD1 4.27Å; P242-I246 WeakPolarHBondContact O-CG1 3.47Å; P242-I246 PolarHBondContact O-N 3.46Å; I243-I246 HydrophobicContact CD1-CD1 4.14Å; I243-I246 PolarHBondContact O-N 2.9Å; I246-S248 PolarHBondContact O-N 3.4Å; I246-L253 HydrophobicContact CG2-CD1 4.3Å; I246-L253 HydrophobicContact CG2-CD2 3.61Å
247	I	84.1	Confident	81	Confident	18 Å²	18	48.6 Å²	48.6	9%	0.092	29%	0.287	C	S	.	.	H	α-helix	trans	-72.9	-18.3	-177	-70.4	176.4	0	0	0	112.1	I232 I243 Q249 P250 W278 L297	I232-I247 HydrophobicContact CD1-CD1 4.27Å; I243-I247 HydrophobicContact CG2-CD1 3.49Å; I243-I247 VanDerWaalsContact CG2-CD1 3.49Å; I243-I247 HydrophobicContact CG2-CG1 4.09Å; I243-I247 WeakPolarHBondContact O-CB 3.39Å; I243-I247 WeakPolarHBondContact O-CG1 3.41Å; I243-I247 PolarHBondContact O-N 3.09Å; I247-Q249 PolarHBondContact O-N 3.28Å; I247-Q249 VanDerWaalsContact O-N 3.13Å; I247-P250 WeakPolarHBondContact O-CD 3.15Å; I247-W278 HydrophobicContact CD1-CB 4.12Å; I247-W278 HydrophobicContact CD1-CD2 3.31Å; I247-W278 HydrophobicContact CD1-CE3 3.47Å; I247-W278 VanDerWaalsContact CD1-CE3 3.47Å; I247-W278 HydrophobicContact CD1-CG 3.6Å; I247-W278 HydrophobicContact CD1-CH2 4.44Å; I247-W278 HydrophobicContact CD1-CZ2 4.31Å; I247-W278 HydrophobicContact CD1-CZ3 4.06Å; I247-W278 HydrophobicContact CG2-CD2 4.49Å; I247-W278 HydrophobicContact CG2-CG 4.48Å; I247-L297 HydrophobicContact CG2-CD2 3.71Å
248	S	82.4	Confident	82.1	Confident	84 Å²	84	46.4 Å²	46.4	59%	0.587	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.1	176.1	76.8	0	0	0	0	114.6	E244 G245 I246	E244-S248 PolarHBondContact O-N 2.87Å; G245-S248 WeakPolarHBondContact O-CB 3.38Å; G245-S248 PolarHBondContact O-N 3.2Å; G245-S248 PolarHBondContact O-OG 2.93Å; I246-S248 PolarHBondContact O-N 3.4Å
249	Q	85.3	Confident	83.1	Confident	111 Å²	111	44.1 Å²	44.1	52%	0.519	26%	0.258	S	S	.	.			trans	-125.8	69.7	177.7	-65.5	-172.2	-3.5	0	0	111.7	I247 S251 S252	I247-Q249 PolarHBondContact O-N 3.28Å; I247-Q249 VanDerWaalsContact O-N 3.13Å; Q249-S251 VanDerWaalsContact C-N 3.26Å; Q249-S251 PolarHBondContact O-N 3.2Å; Q249-S252 PolarHBondContact O-N 2.99Å; Q249-S252 VanDerWaalsContact O-N 3.12Å; Q249-S252 PolarHBondContact O-OG 3.17Å
250	P	86.4	Confident	84.6	Confident	26 Å²	26	37.2 Å²	37.2	17%	0.169	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-63.2	-29.4	-171.1	25.3	-33.1	0	0	0	113.5	I247 S252 L253 L297 E299 A300	I247-P250 WeakPolarHBondContact O-CD 3.15Å; P250-S252 PolarHBondContact O-N 3.06Å; P250-L253 WeakPolarHBondContact O-CB 3.47Å; P250-L253 PolarHBondContact O-N 3.12Å; P250-L253 VanDerWaalsContact O-N 3.17Å; P250-L297 HydrophobicContact CB-CD2 4.3Å; P250-E299 HydrophobicContact CB-CB 4.15Å; P250-E299 HydrophobicContact CG-CB 4.03Å; P250-E299 HydrophobicContact CG-CG 4.49Å; P250-A300 VanDerWaalsContact O-CA 3.25Å; P250-A300 WeakPolarHBondContact O-CA 2.9Å
251	S	87.9	Confident	85.8	Confident	72 Å²	72	29.7 Å²	29.7	50%	0.503	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-65.8	-19.5	177.6	53.4	0	0	0	0	114.6	Q249	Q249-S251 VanDerWaalsContact C-N 3.26Å; Q249-S251 PolarHBondContact O-N 3.2Å
252	S	90.1	Very high	86.7	Confident	16 Å²	16	30.1 Å²	30.1	11%	0.112	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-92.5	5.2	176.3	78.6	0	0	0	0	113.5	F209 M210 Q249 P250	F209-S252 CarbonylContact C-O 3.58Å; F209-S252 WeakPolarHBondContact CA-O 3.48Å; M210-S252 PolarHBondContact N-O 2.9Å; Q249-S252 PolarHBondContact O-N 2.99Å; Q249-S252 VanDerWaalsContact O-N 3.12Å; Q249-S252 PolarHBondContact O-OG 3.17Å; P250-S252 PolarHBondContact O-N 3.06Å
253	L	93.3	Very high	87.1	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	138.5	-177.2	-52.6	-178.3	0	0	0	111.9	Y211 F213 I246 P250 F255 A300 S301	Y211-L253 HydrophobicContact CD2-CD2 4.07Å; Y211-L253 HydrophobicContact CG-CD2 4.45Å; F213-L253 HydrophobicContact CE2-CD2 4.45Å; I246-L253 HydrophobicContact CG2-CD1 4.3Å; I246-L253 HydrophobicContact CG2-CD2 3.61Å; P250-L253 WeakPolarHBondContact O-CB 3.47Å; P250-L253 PolarHBondContact O-N 3.12Å; P250-L253 VanDerWaalsContact O-N 3.17Å; L253-F255 HydrophobicContact CB-CE2 4.12Å; L253-F255 HydrophobicContact CD1-CE2 4.42Å; L253-F255 HydrophobicContact CD1-CZ 4.33Å; L253-A300 HydrophobicContact CB-CB 4.35Å; L253-S301 PolarHBondContact O-N 2.9Å
254	L	94.5	Very high	87.1	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.4	169.4	172.7	64.2	0	0	0	110.9	F165 Y205 F209 Y211 V212 F213 I256 S301 L303	F165-L254 HydrophobicContact CE1-CD1 4.41Å; F165-L254 HydrophobicContact CE2-CD1 4.16Å; F165-L254 HydrophobicContact CE2-CD2 4.46Å; F165-L254 HydrophobicContact CZ-CD1 3.59Å; Y205-L254 HydrophobicContact CD2-CD2 4.11Å; Y205-L254 HydrophobicContact CE2-CD2 4.07Å; F209-L254 HydrophobicContact CB-CB 4.25Å; F209-L254 HydrophobicContact CD1-CB 3.91Å; F209-L254 HydrophobicContact CD2-CB 3.83Å; F209-L254 HydrophobicContact CD2-CD2 3.77Å; F209-L254 HydrophobicContact CD2-CG 4.34Å; F209-L254 HydrophobicContact CE1-CB 4.2Å; F209-L254 HydrophobicContact CE2-CB 4.15Å; F209-L254 HydrophobicContact CE2-CD1 4.44Å; F209-L254 HydrophobicContact CE2-CD2 3.88Å; F209-L254 HydrophobicContact CE2-CG 4.38Å; F209-L254 HydrophobicContact CG-CB 3.73Å; F209-L254 HydrophobicContact CG-CD2 4.49Å; F209-L254 HydrophobicContact CZ-CB 4.32Å; F209-L254 HydrophobicContact CZ-CD1 4.49Å; Y211-L254 PolarHBondContact O-N 2.65Å; V212-L254 CarbonylContact C-O 3.51Å; V212-L254 VanDerWaalsContact CA-O 3.31Å; V212-L254 WeakPolarHBondContact CA-O 3.48Å; V212-L254 HydrophobicContact CG1-CB 4.22Å; V212-L254 HydrophobicContact CG1-CD2 3.93Å; V212-L254 HydrophobicContact CG1-CG 4.02Å; V212-L254 HydrophobicContact CG2-CB 4.13Å; V212-L254 HydrophobicContact CG2-CD2 4.18Å; F213-L254 PolarHBondContact N-O 3Å; L254-I256 HydrophobicContact CD2-CG1 4.32Å; L254-I256 HydrophobicContact CG-CG1 4.26Å; L254-S301 WeakPolarHBondContact CA-O 3.24Å; L254-L303 HydrophobicContact CD1-CB 4.12Å
255	F	95.3	Very high	87.4	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.5	170.4	-61.4	-82.6	0	0	0	110.4	F213 L215 F228 I232 L253 L291 L297 A300 S301 L302 L303	F213-F255 HydrophobicContact CB-CD1 3.69Å; F213-F255 HydrophobicContact CB-CE1 3.9Å; F213-F255 HydrophobicContact CD2-CD1 4.02Å; F213-F255 AromaticContact CD2-CE1 3.47Å; F213-F255 HydrophobicContact CD2-CE1 3.47Å; F213-F255 VanDerWaalsContact CD2-CE1 3.47Å; F213-F255 HydrophobicContact CD2-CZ 4.02Å; F213-F255 HydrophobicContact CE2-CE1 4.28Å; F213-F255 HydrophobicContact CG-CD1 4.22Å; F213-F255 AromaticContact CG-CE1 3.92Å; F213-F255 HydrophobicContact CG-CE1 3.92Å; L215-F255 HydrophobicContact CD1-CD1 4.39Å; F228-F255 HydrophobicContact CE1-CE1 4.01Å; F228-F255 AromaticContact CE1-CZ 3.93Å; F228-F255 HydrophobicContact CE1-CZ 3.93Å; F228-F255 HydrophobicContact CZ-CD1 4.25Å; F228-F255 AromaticContact CZ-CE1 3.72Å; F228-F255 HydrophobicContact CZ-CE1 3.72Å; F228-F255 AromaticContact CZ-CZ 3.94Å; F228-F255 HydrophobicContact CZ-CZ 3.94Å; I232-F255 HydrophobicContact CG2-CE1 3.89Å; L253-F255 HydrophobicContact CB-CE2 4.12Å; L253-F255 HydrophobicContact CD1-CE2 4.42Å; L253-F255 HydrophobicContact CD1-CZ 4.33Å; F255-L291 HydrophobicContact CB-CD2 4.37Å; F255-L291 HydrophobicContact CD2-CD1 4.09Å; F255-L291 HydrophobicContact CE2-CD1 4.28Å; F255-L291 HydrophobicContact CG-CD1 4.49Å; F255-L291 HydrophobicContact CG-CD2 4.27Å; F255-L297 HydrophobicContact CE2-CD1 3.71Å; F255-L297 HydrophobicContact CZ-CD1 3.68Å; F255-A300 HydrophobicContact CD2-CB 3.98Å; F255-A300 HydrophobicContact CE2-CB 3.76Å; F255-S301 PolarHBondContact N-O 3.02Å; F255-L302 HydrophobicContact CB-CD2 3.79Å; F255-L302 HydrophobicContact CD2-CD2 4.08Å; F255-L302 HydrophobicContact CG-CD2 4.34Å; F255-L302 WeakPolarHBondContact O-CA 3.02Å; F255-L303 PolarHBondContact O-N 3.22Å
256	I	95.6	Very high	87.5	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	110	171.5	-58.3	-170.1	0	0	0	108.3	V192 M196 V212 F213 Y214 L215 L254 L303	V192-I256 HydrophobicContact CB-CG2 3.83Å; V192-I256 HydrophobicContact CG1-CG2 4.16Å; V192-I256 HydrophobicContact CG2-CG2 4.21Å; M196-I256 HydrophobicContact CG-CD1 4.02Å; M196-I256 HydrophobicContact SD-CD1 3.7Å; M196-I256 HydrophobicContact SD-CG1 4.41Å; V212-I256 HydrophobicContact CG1-CD1 3.88Å; V212-I256 HydrophobicContact CG1-CG1 3.9Å; F213-I256 PolarHBondContact O-N 3.46Å; Y214-I256 HydrophobicContact CD2-CB 4.36Å; Y214-I256 HydrophobicContact CD2-CG2 4.02Å; Y214-I256 HydrophobicContact CE2-CG2 4.4Å; L215-I256 PolarHBondContact N-O 2.74Å; L254-I256 HydrophobicContact CD2-CG1 4.32Å; L254-I256 HydrophobicContact CG-CG1 4.26Å; I256-L303 CarbonylContact C-O 3.55Å; I256-L303 WeakPolarHBondContact CA-O 3.24Å; I256-L303 HydrophobicContact CD1-CD2 4.28Å; I256-L303 HydrophobicContact CG1-CB 4.29Å; I256-L303 HydrophobicContact CG1-CD2 4.35Å
257	I	94.6	Very high	87.6	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	100.1	176.2	-58.1	170.4	0	0	0	107.6	L215 M288 L291 L292 L303 V304 T305	L215-I257 HydrophobicContact CB-CG1 4.4Å; L215-I257 HydrophobicContact CD1-CG1 4.34Å; L215-I257 WeakPolarHBondContact O-CA 3.3Å; I257-M288 HydrophobicContact CD1-CE 3.77Å; I257-M288 HydrophobicContact CG1-CE 4.1Å; I257-M288 HydrophobicContact CG2-CE 4.05Å; I257-L291 HydrophobicContact CD1-CD2 4.06Å; I257-L292 HydrophobicContact CD1-CD2 3.57Å; I257-L292 HydrophobicContact CD1-CG 4.2Å; I257-L303 PolarHBondContact N-O 3.12Å; I257-V304 HydrophobicContact CB-CG1 4.29Å; I257-V304 HydrophobicContact CB-CG2 4.29Å; I257-V304 HydrophobicContact CD1-CG2 4.26Å; I257-V304 HydrophobicContact CG2-CG1 4.35Å; I257-V304 CarbonylContact O-C 3.47Å; I257-V304 WeakPolarHBondContact O-CA 3.37Å; I257-T305 PolarHBondContact O-N 3.41Å
258	D	92.7	Very high	87.4	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.5	-176.4	-172.2	14.2	0	0	0	111.4	T189 V192 Y214 L215 G217 T305	T189-D258 WeakPolarHBondContact CG2-OD2 3.29Å; T189-D258 PolarHBondContact OG1-OD1 3.01Å; T189-D258 VanDerWaalsContact OG1-OD1 3.05Å; T189-D258 PolarHBondContact OG1-OD2 3.48Å; V192-D258 HydrophobicContact CG2-CB 4.2Å; Y214-D258 HydrophobicContact CE2-CB 3.64Å; Y214-D258 PolarHBondContact OH-OD2 2.89Å; L215-D258 PolarHBondContact O-N 2.98Å; G217-D258 PolarHBondContact N-O 3.41Å; D258-T305 WeakPolarHBondContact CA-OG1 3.49Å; D258-T305 PolarHBondContact OD1-OG1 3.33Å
259	S	88.1	Confident	87.5	Confident	10 Å²	10	33.7 Å²	33.7	7%	0.07	19%	0.185	C	C	.	.			trans	65.9	55.8	175.7	-53.3	0	0	0	0	113	D261 E262 T305	S259-D261 PolarHBondContact O-N 3.03Å; S259-E262 WeakPolarHBondContact O-CB 3.47Å; S259-E262 PolarHBondContact O-N 3.24Å; S259-T305 PolarHBondContact N-O 3.13Å; S259-T305 PolarHBondContact N-OG1 3.23Å
260	F	89.8	Confident	87.3	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-54.2	-34.4	174.5	174.6	-92.9	0	0	0	112.5	E262 L263 F267 L292 V304 T305 L314 L317	F260-E262 PolarHBondContact O-N 2.82Å; F260-E262 VanDerWaalsContact O-N 3.07Å; F260-L263 HydrophobicContact CD2-CD1 3.76Å; F260-L263 HydrophobicContact CE2-CD1 4.18Å; F260-L263 WeakPolarHBondContact O-CB 3.4Å; F260-L263 PolarHBondContact O-N 3.32Å; F260-F267 AromaticContact CE2-CE2 3.66Å; F260-F267 HydrophobicContact CE2-CE2 3.66Å; F260-F267 HydrophobicContact CE2-CZ 4.07Å; F260-F267 HydrophobicContact CZ-CD2 4.34Å; F260-F267 AromaticContact CZ-CE2 3.82Å; F260-F267 HydrophobicContact CZ-CE2 3.82Å; F260-L292 HydrophobicContact CD2-CD1 4.14Å; F260-L292 HydrophobicContact CE2-CD1 3.71Å; F260-V304 HydrophobicContact CB-CG1 3.75Å; F260-V304 HydrophobicContact CD2-CG1 4.47Å; F260-V304 HydrophobicContact CG-CG1 4.28Å; F260-T305 WeakPolarHBondContact CB-O 3.48Å; F260-T305 PolarHBondContact N-O 2.98Å; F260-L314 HydrophobicContact CD1-CB 4Å; F260-L314 HydrophobicContact CD1-CD1 4.2Å; F260-L314 HydrophobicContact CD1-CD2 4.25Å; F260-L314 HydrophobicContact CD1-CG 4.38Å; F260-L314 HydrophobicContact CD2-CD1 3.91Å; F260-L314 HydrophobicContact CE1-CB 3.7Å; F260-L314 HydrophobicContact CE1-CD1 4.06Å; F260-L314 HydrophobicContact CE1-CG 4.35Å; F260-L314 HydrophobicContact CE2-CD1 3.76Å; F260-L314 HydrophobicContact CG-CD1 4.14Å; F260-L314 HydrophobicContact CG-CD2 4.34Å; F260-L314 HydrophobicContact CZ-CB 4.18Å; F260-L314 HydrophobicContact CZ-CD1 3.85Å; F260-L317 HydrophobicContact CE2-CD1 4.14Å; F260-L317 HydrophobicContact CZ-CD1 3.84Å
261	D	84.8	Confident	87.1	Confident	15 Å²	15	33.9 Å²	33.9	8%	0.08	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-60.2	-16.8	176.8	55.4	-75.5	0	0	0	114.1	S259 R307 T310	S259-D261 PolarHBondContact O-N 3.03Å; D261-R307 HydrophobicContact CB-CB 4.35Å; D261-R307 HydrophobicContact CB-CG 4.2Å; D261-R307 VanDerWaalsContact OD2-CD 3.31Å; D261-R307 WeakPolarHBondContact OD2-CD 3.16Å; D261-R307 WeakPolarHBondContact OD2-CG 3.01Å; D261-R307 IonicContact OD2-CZ 3.44Å; D261-R307 IonicContact OD2-NE 2.8Å; D261-R307 PolarHBondContact OD2-NE 3.3Å; D261-R307 IonicContact OD2-NH2 3.61Å; D261-T310 HydrophobicContact CB-CG2 3.8Å; D261-T310 VanDerWaalsContact CB-OG1 3.31Å; D261-T310 WeakPolarHBondContact CB-OG1 3.33Å
262	E	83.6	Confident	86.7	Confident	23 Å²	23	39.3 Å²	39.3	11%	0.107	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-91.7	-11.8	177.9	-57.9	-175.9	164.1	0	0	112.6	R218 N221 S259 F260 N264 V440	R218-E262 WeakPolarHBondContact CD-OE2 3.31Å; R218-E262 WeakPolarHBondContact CG-OE2 3.39Å; R218-E262 IonicContact CZ-OE1 2.67Å; R218-E262 IonicContact CZ-OE2 3.89Å; R218-E262 IonicContact NE-OE1 3.57Å; R218-E262 PolarHBondContact NE-OE1 3.04Å; R218-E262 IonicContact NE-OE2 2.68Å; R218-E262 PolarHBondContact NE-OE2 3.44Å; R218-E262 IonicContact NH2-OE1 2.64Å; R218-E262 PolarHBondContact NH2-OE1 3.12Å; R218-E262 IonicContact NH2-OE2 3.66Å; N221-E262 PolarHBondContact ND2-O 2.73Å; S259-E262 WeakPolarHBondContact O-CB 3.47Å; S259-E262 PolarHBondContact O-N 3.24Å; F260-E262 PolarHBondContact O-N 2.82Å; F260-E262 VanDerWaalsContact O-N 3.07Å; E262-N264 PolarHBondContact O-N 3.16Å; E262-V440 HydrophobicContact CG-CG2 4.02Å; E262-V440 WeakPolarHBondContact OE1-CG2 3.14Å
263	L	84.9	Confident	86.4	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.01	22%	0.216	C	C	.	.			trans	-69.4	118.9	177.5	-66.6	177.1	0	0	0	111.5	I220 N221 F260 F265 F267 R313	I220-L263 HydrophobicContact CB-CD2 3.96Å; I220-L263 HydrophobicContact CG2-CD2 3.6Å; N221-L263 WeakPolarHBondContact OD1-CA 3.3Å; F260-L263 HydrophobicContact CD2-CD1 3.76Å; F260-L263 HydrophobicContact CE2-CD1 4.18Å; F260-L263 WeakPolarHBondContact O-CB 3.4Å; F260-L263 PolarHBondContact O-N 3.32Å; L263-F265 HydrophobicContact CB-CD2 4.3Å; L263-F265 HydrophobicContact CD2-CD2 4.33Å; L263-F265 HydrophobicContact CD2-CE2 3.94Å; L263-F265 PolarHBondContact O-N 3.21Å; L263-F267 HydrophobicContact CD1-CZ 4.15Å; L263-R313 PolarHBondContact O-NH1 2.96Å; L263-R313 PolarHBondContact O-NH2 3.48Å
264	N	78.3	Confident	86.2	Confident	108 Å²	108	41.4 Å²	41.4	58%	0.578	22%	0.22	S	C	*	.			trans	-86.7	15.8	-175	70.3	8	0	0	0	114.2	N221 E262	N221-N264 PolarHBondContact OD1-N 2.72Å; N221-N264 VanDerWaalsContact OD1-N 3.12Å; N221-N264 PolarHBondContact OD1-OD1 2.97Å; E262-N264 PolarHBondContact O-N 3.16Å
265	F	84.8	Confident	85.8	Confident	27 Å²	27	42 Å²	42	12%	0.118	22%	0.224	C	C	.	.			trans	-86.9	140.5	-175.2	-51.2	-36.1	0	0	0	112.8	I220 L263 F267 S285 M288 R313	I220-F265 HydrophobicContact CG2-CE2 3.55Å; I220-F265 HydrophobicContact CG2-CZ 3.78Å; L263-F265 HydrophobicContact CB-CD2 4.3Å; L263-F265 HydrophobicContact CD2-CD2 4.33Å; L263-F265 HydrophobicContact CD2-CE2 3.94Å; L263-F265 PolarHBondContact O-N 3.21Å; F265-F267 HydrophobicContact CB-CD1 4.28Å; F265-F267 HydrophobicContact CB-CD2 4.27Å; F265-F267 HydrophobicContact CB-CE1 3.98Å; F265-F267 HydrophobicContact CB-CE2 3.98Å; F265-F267 HydrophobicContact CB-CG 4.43Å; F265-F267 HydrophobicContact CB-CZ 3.84Å; F265-F267 AromaticContact CD2-CE1 4Å; F265-F267 HydrophobicContact CD2-CE1 4Å; F265-F267 AromaticContact CD2-CZ 3.77Å; F265-F267 HydrophobicContact CD2-CZ 3.77Å; F265-F267 HydrophobicContact CG-CE1 4.49Å; F265-F267 HydrophobicContact CG-CZ 4.32Å; F265-F267 WeakPolarHBondContact O-CD2 3.37Å; F265-S285 VanDerWaalsContact CG-CB 3.45Å; F265-M288 HydrophobicContact CE2-CG 4.41Å; F265-R313 PolarHBondContact O-NH2 3.02Å
266	A	78.1	Confident	85.4	Confident	64 Å²	64	49.1 Å²	49.1	53%	0.529	26%	0.257	S	S	.	.			trans	-72.2	-31.7	-179.5	0	0	0	0	0	113	E268	A266-E268 VanDerWaalsContact C-N 3.26Å; A266-E268 HydrophobicContact CB-CB 4.47Å; A266-E268 HydrophobicContact CB-CG 3.77Å; A266-E268 PolarHBondContact O-N 3.02Å
267	F	84.1	Confident	85	Confident	9 Å²	9	51.6 Å²	51.6	4%	0.039	27%	0.271	C	S	.	.			trans	55.1	38.6	-174.3	-56.5	-66.8	0	0	0	113.2	F260 L263 F265 E269 M288 L292 R293 R313 L317	F260-F267 AromaticContact CE2-CE2 3.66Å; F260-F267 HydrophobicContact CE2-CE2 3.66Å; F260-F267 HydrophobicContact CE2-CZ 4.07Å; F260-F267 HydrophobicContact CZ-CD2 4.34Å; F260-F267 AromaticContact CZ-CE2 3.82Å; F260-F267 HydrophobicContact CZ-CE2 3.82Å; L263-F267 HydrophobicContact CD1-CZ 4.15Å; F265-F267 HydrophobicContact CB-CD1 4.28Å; F265-F267 HydrophobicContact CB-CD2 4.27Å; F265-F267 HydrophobicContact CB-CE1 3.98Å; F265-F267 HydrophobicContact CB-CE2 3.98Å; F265-F267 HydrophobicContact CB-CG 4.43Å; F265-F267 HydrophobicContact CB-CZ 3.84Å; F265-F267 AromaticContact CD2-CE1 4Å; F265-F267 HydrophobicContact CD2-CE1 4Å; F265-F267 AromaticContact CD2-CZ 3.77Å; F265-F267 HydrophobicContact CD2-CZ 3.77Å; F265-F267 HydrophobicContact CG-CE1 4.49Å; F265-F267 HydrophobicContact CG-CZ 4.32Å; F265-F267 WeakPolarHBondContact O-CD2 3.37Å; F267-E269 VanDerWaalsContact C-N 3.34Å; F267-E269 WeakPolarHBondContact CA-OE2 3.4Å; F267-M288 HydrophobicContact CE1-CB 4.22Å; F267-L292 HydrophobicContact CE1-CD1 4.39Å; F267-L292 HydrophobicContact CZ-CD1 4.19Å; F267-R293 PolarHBondContact O-NH2 3.42Å; F267-R313 VanDerWaalsContact CE2-NH2 3.34Å; F267-L317 HydrophobicContact CB-CD1 4.16Å; F267-L317 HydrophobicContact CB-CD2 3.83Å; F267-L317 HydrophobicContact CD2-CD1 3.77Å; F267-L317 HydrophobicContact CE2-CD1 4.25Å; F267-L317 HydrophobicContact CG-CD1 3.96Å; F267-L317 HydrophobicContact CG-CD2 4.44Å
268	E	80.8	Confident	84.6	Confident	169 Å²	169	54.4 Å²	54.4	79%	0.79	28%	0.281	S	S	*	.			trans	-87	-4.9	-176.3	-71.9	175.4	-173.3	0	0	113.1	A266	A266-E268 VanDerWaalsContact C-N 3.26Å; A266-E268 HydrophobicContact CB-CB 4.47Å; A266-E268 HydrophobicContact CB-CG 3.77Å; A266-E268 PolarHBondContact O-N 3.02Å
269	E	84.3	Confident	84.3	Confident	53 Å²	53	57.9 Å²	57.9	25%	0.248	30%	0.303	C	S	.	.	S	Bend	trans	-67.2	136.6	-176.9	-50.7	85.2	174.6	0	0	110.4	F267 L274 F286 R293	F267-E269 VanDerWaalsContact C-N 3.34Å; F267-E269 WeakPolarHBondContact CA-OE2 3.4Å; E269-L274 HydrophobicContact CB-CD2 4.29Å; E269-F286 HydrophobicContact CG-CD2 4.25Å; E269-R293 PolarHBondContact O-NH1 3.03Å; E269-R293 PolarHBondContact O-NH2 3.06Å
270	P	81.7	Confident	84.3	Confident	60 Å²	60	61.8 Å²	61.8	39%	0.39	32%	0.32	S	S	.	.			trans	-71.5	149	176.8	30.6	-34.2	0	0	0	110.6	F272 A273	P270-F272 VanDerWaalsContact C-N 3.28Å; P270-F272 HydrophobicContact CB-CD1 3.77Å; P270-F272 HydrophobicContact CB-CE1 3.34Å; P270-F272 HydrophobicContact CB-CZ 3.77Å; P270-F272 HydrophobicContact CG-CD1 4.2Å; P270-F272 HydrophobicContact CG-CE1 3.57Å; P270-F272 HydrophobicContact CG-CE2 3.93Å; P270-F272 HydrophobicContact CG-CZ 3.4Å; P270-F272 PolarHBondContact O-N 3.38Å; P270-A273 HydrophobicContact CG-CB 3.87Å; P270-A273 WeakPolarHBondContact O-CB 3.43Å; P270-A273 PolarHBondContact O-N 3.06Å
271	E	81.1	Confident	84.4	Confident	81 Å²	81	67.7 Å²	67.7	38%	0.379	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-58.7	-36.8	-171.7	-165.5	177.3	177.3	0	0	113.4	A273 L274 V295 K319	E271-A273 PolarHBondContact O-N 3.2Å; E271-L274 HydrophobicContact CG-CD1 4.33Å; E271-L274 WeakPolarHBondContact O-CB 3.43Å; E271-L274 PolarHBondContact O-N 3.12Å; E271-V295 HydrophobicContact CG-CG2 3.75Å; E271-K319 WeakPolarHBondContact OE1-CE 3.25Å; E271-K319 IonicContact OE1-NZ 3.1Å; E271-K319 PolarHBondContact OE1-NZ 3.09Å; E271-K319 IonicContact OE2-NZ 2.76Å; E271-K319 PolarHBondContact OE2-NZ 3.02Å
272	F	81.3	Confident	84.7	Confident	185 Å²	185	69.1 Å²	69.1	81%	0.811	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-65.8	-17.5	178.2	66.9	-101.6	0	0	0	114.1	P270	P270-F272 VanDerWaalsContact C-N 3.28Å; P270-F272 HydrophobicContact CB-CD1 3.77Å; P270-F272 HydrophobicContact CB-CE1 3.34Å; P270-F272 HydrophobicContact CB-CZ 3.77Å; P270-F272 HydrophobicContact CG-CD1 4.2Å; P270-F272 HydrophobicContact CG-CE1 3.57Å; P270-F272 HydrophobicContact CG-CE2 3.93Å; P270-F272 HydrophobicContact CG-CZ 3.4Å; P270-F272 PolarHBondContact O-N 3.38Å
273	A	83.8	Confident	85	Confident	45 Å²	45	70.6 Å²	70.6	37%	0.372	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-89.8	-5.8	-179.1	0	0	0	0	0	112.5	P270 E271 F286	P270-A273 HydrophobicContact CG-CB 3.87Å; P270-A273 WeakPolarHBondContact O-CB 3.43Å; P270-A273 PolarHBondContact O-N 3.06Å; E271-A273 PolarHBondContact O-N 3.2Å; A273-F286 WeakPolarHBondContact O-CE2 3.38Å; A273-F286 WeakPolarHBondContact O-CZ 3.35Å
274	L	87.8	Confident	85.3	Confident	15 Å²	15	70.6 Å²	70.6	8%	0.079	37%	0.365	C	S	.	.	S	Bend	trans	-78.6	152	-174.9	-65.1	174.6	0	0	0	112	E269 E271 F286 R293 V295	E269-L274 HydrophobicContact CB-CD2 4.29Å; E271-L274 HydrophobicContact CG-CD1 4.33Å; E271-L274 WeakPolarHBondContact O-CB 3.43Å; E271-L274 PolarHBondContact O-N 3.12Å; L274-F286 HydrophobicContact CD2-CD2 3.97Å; L274-F286 HydrophobicContact CD2-CE2 3.9Å; L274-R293 HydrophobicContact CD1-CB 4.24Å; L274-R293 VanDerWaalsContact CD1-CD 3.48Å; L274-R293 HydrophobicContact CD1-CG 4.47Å; L274-V295 HydrophobicContact CB-CB 4.15Å; L274-V295 HydrophobicContact CB-CG1 3.93Å; L274-V295 HydrophobicContact CB-CG2 4.12Å; L274-V295 HydrophobicContact CD1-CG2 3.88Å
275	C	87.3	Confident	85.8	Confident	13 Å²	13	66.8 Å²	66.8	9%	0.088	35%	0.347	C	S	.	.			trans	-90.9	137.5	-177.4	-176.8	0	0	0	0	112.4	D277 F286 S290 M296	C275-D277 PolarHBondContact SG-N 2.77Å; C275-D277 PolarHBondContact SG-O 3.12Å; C275-F286 HydrophobicContact CB-CD1 4.38Å; C275-F286 HydrophobicContact CB-CE1 3.47Å; C275-F286 VanDerWaalsContact CB-CE1 3.47Å; C275-F286 HydrophobicContact CB-CZ 4.15Å; C275-S290 PolarHBondContact N-OG 2.78Å; C275-S290 VanDerWaalsContact N-OG 3.13Å; C275-S290 WeakPolarHBondContact O-CB 3.42Å; C275-S290 PolarHBondContact O-OG 3.16Å; C275-M296 WeakPolarHBondContact O-CE 3.41Å
276	E	86.6	Confident	86.1	Confident	150 Å²	150	67 Å²	67	70%	0.701	35%	0.348	S	S	*	.			trans	-93.8	-27.6	171.2	-61.7	179.6	-178.1	0	0	111.9	W278 V295	E276-W278 PolarHBondContact O-N 3.32Å; E276-V295 HydrophobicContact CG-CG1 3.86Å
277	D	86.8	Confident	86.7	Confident	55 Å²	55	64 Å²	64	29%	0.294	32%	0.323	S	S	.	.			trans	-76.6	117.9	-177.8	-170.9	-14.1	0	0	0	111.1	C275 T279 Q280	C275-D277 PolarHBondContact SG-N 2.77Å; C275-D277 PolarHBondContact SG-O 3.12Å; D277-T279 VanDerWaalsContact C-N 3.35Å; D277-T279 WeakPolarHBondContact OD1-CB 3.21Å; D277-T279 PolarHBondContact OD1-N 3.08Å; D277-T279 PolarHBondContact OD1-OG1 3.27Å; D277-T279 PolarHBondContact OD2-OG1 2.95Å; D277-Q280 HydrophobicContact CB-CG 4.17Å; D277-Q280 WeakPolarHBondContact OD2-CG 3.32Å; D277-Q280 PolarHBondContact OD2-NE2 2.99Å
278	W	85.8	Confident	87.2	Confident	58 Å²	58	63.5 Å²	63.5	22%	0.22	32%	0.321	C	S	.	.	S	Bend	trans	-84.4	-9.1	-178	53.2	-90.1	0	0	0	113.3	F228 A229 I243 E244 I247 E276 M296	F228-W278 HydrophobicContact CB-CB 4.07Å; F228-W278 HydrophobicContact CD1-CB 4.24Å; F228-W278 PolarHBondContact N-O 2.92Å; A229-W278 HydrophobicContact CB-CE3 3.84Å; A229-W278 HydrophobicContact CB-CZ3 4Å; A229-W278 PolarHBondContact N-O 2.92Å; I243-W278 HydrophobicContact CB-CZ3 4.2Å; I243-W278 HydrophobicContact CG2-CE3 3.85Å; I243-W278 HydrophobicContact CG2-CH2 4.2Å; I243-W278 HydrophobicContact CG2-CZ3 3.48Å; I243-W278 VanDerWaalsContact CG2-CZ3 3.48Å; E244-W278 HydrophobicContact CB-CH2 4.04Å; E244-W278 HydrophobicContact CG-CH2 4.33Å; E244-W278 HydrophobicContact CG-CZ2 4.4Å; I247-W278 HydrophobicContact CD1-CB 4.12Å; I247-W278 HydrophobicContact CD1-CD2 3.31Å; I247-W278 HydrophobicContact CD1-CE3 3.47Å; I247-W278 VanDerWaalsContact CD1-CE3 3.47Å; I247-W278 HydrophobicContact CD1-CG 3.6Å; I247-W278 HydrophobicContact CD1-CH2 4.44Å; I247-W278 HydrophobicContact CD1-CZ2 4.31Å; I247-W278 HydrophobicContact CD1-CZ3 4.06Å; I247-W278 HydrophobicContact CG2-CD2 4.49Å; I247-W278 HydrophobicContact CG2-CG 4.48Å; E276-W278 PolarHBondContact O-N 3.32Å; W278-M296 HydrophobicContact CB-SD 4.35Å
279	T	86.3	Confident	87.7	Confident	74 Å²	74	55.5 Å²	55.5	45%	0.454	28%	0.283	S	S	.	.	S	Bend	trans	-90.8	-26.3	-179.9	69	0	0	0	0	113	S227 D277	S227-T279 WeakPolarHBondContact CB-O 3.37Å; D277-T279 VanDerWaalsContact C-N 3.35Å; D277-T279 WeakPolarHBondContact OD1-CB 3.21Å; D277-T279 PolarHBondContact OD1-N 3.08Å; D277-T279 PolarHBondContact OD1-OG1 3.27Å; D277-T279 PolarHBondContact OD2-OG1 2.95Å
280	Q	88.4	Confident	88.1	Confident	92 Å²	92	53 Å²	53	43%	0.43	27%	0.271	S	S	.	.	S	Bend	trans	-70.3	140.4	-179.5	-73.3	177.3	25.1	0	0	112.4	S227 D277 H282	S227-Q280 WeakPolarHBondContact CA-O 3.47Å; S227-Q280 WeakPolarHBondContact CB-O 3.19Å; D277-Q280 HydrophobicContact CB-CG 4.17Å; D277-Q280 WeakPolarHBondContact OD2-CG 3.32Å; D277-Q280 PolarHBondContact OD2-NE2 2.99Å; Q280-H282 PolarHBondContact OE1-NE2 3Å; Q280-H282 VanDerWaalsContact OE1-NE2 3.13Å
281	E	91.4	Very high	88.6	Confident	124 Å²	124	50.1 Å²	50.1	58%	0.579	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	124.5	172	-65.3	-166.6	160.3	0	0	110.4	R226 Q230	R226-E281 WeakPolarHBondContact O-CA 3.31Å; Q230-E281 PolarHBondContact NE2-OE1 3.41Å
282	H	90.9	Very high	89.2	Confident	44 Å²	44	46.3 Å²	46.3	20%	0.204	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	165.1	178.1	-76.1	-71.8	0	0	0	110.1	E225 R226 Q280 V284 F286 L287	E225-H282 WeakPolarHBondContact CA-O 3.39Å; R226-H282 PolarHBondContact N-O 3.2Å; R226-H282 PolarHBondContact O-N 3.34Å; Q280-H282 PolarHBondContact OE1-NE2 3Å; Q280-H282 VanDerWaalsContact OE1-NE2 3.13Å; H282-V284 PolarHBondContact O-N 3.39Å; H282-F286 HydrophobicContact CB-CD1 3.79Å; H282-F286 HydrophobicContact CB-CE1 4.32Å; H282-F286 AromaticContact CG-CD1 3.87Å; H282-F286 AromaticContact CG-CE1 3.88Å; H282-F286 AromaticContact ND1-CE1 3.81Å; H282-L287 HydrophobicContact CB-CD2 3.94Å; H282-L287 HydrophobicContact CB-CG 4.1Å
283	P	91.3	Very high	89.7	Confident	55 Å²	55	39.2 Å²	39.2	36%	0.357	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	133.9	167.4	-26.2	35.6	0	0	0	110.9	K224 S285 F286 L287	K224-P283 WeakPolarHBondContact O-CA 3.26Å; P283-S285 PolarHBondContact O-N 3.17Å; P283-S285 VanDerWaalsContact O-N 3.16Å; P283-F286 HydrophobicContact CB-CB 4.3Å; P283-F286 WeakPolarHBondContact O-CA 3.47Å; P283-F286 VanDerWaalsContact O-CB 3.28Å; P283-F286 WeakPolarHBondContact O-CB 3.4Å; P283-F286 PolarHBondContact O-N 3.25Å; P283-L287 PolarHBondContact O-N 3.35Å; P283-L287 VanDerWaalsContact O-N 3.14Å
284	V	90.4	Very high	90.1	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-30.1	-176	174.6	0	0	0	0	112	I220 L223 K224 R226 L231 H282 F286 L287 M288	I220-V284 HydrophobicContact CG2-CG1 3.68Å; L223-V284 HydrophobicContact CB-CB 4.4Å; L223-V284 HydrophobicContact CB-CG2 3.76Å; K224-V284 PolarHBondContact O-N 3.16Å; R226-V284 HydrophobicContact CB-CG2 4.02Å; R226-V284 HydrophobicContact CG-CG2 4.25Å; L231-V284 HydrophobicContact CD1-CG1 4.31Å; L231-V284 HydrophobicContact CD2-CG2 4.47Å; H282-V284 PolarHBondContact O-N 3.39Å; V284-F286 VanDerWaalsContact C-N 3.26Å; V284-F286 PolarHBondContact O-N 3.3Å; V284-L287 PolarHBondContact O-N 3.38Å; V284-M288 HydrophobicContact CG1-CG 4.3Å; V284-M288 WeakPolarHBondContact O-CG 3.46Å; V284-M288 PolarHBondContact O-N 3.36Å
285	S	90	Very high	90.2	Very high	28 Å²	28	38.9 Å²	38.9	20%	0.196	20%	0.195	C	C	.	.	H	α-helix	trans	-57.3	-40.7	172.3	57.8	0	0	0	0	112.7	F265 P283 S289	F265-S285 VanDerWaalsContact CG-CB 3.45Å; P283-S285 PolarHBondContact O-N 3.17Å; P283-S285 VanDerWaalsContact O-N 3.16Å; S285-S289 WeakPolarHBondContact O-CB 3.38Å; S285-S289 PolarHBondContact O-N 2.9Å
286	F	89.6	Confident	90.4	Very high	32 Å²	32	38.3 Å²	38.3	14%	0.14	19%	0.191	C	C	.	.	H	α-helix	trans	-73.2	-42.2	-179	179.9	-95.9	0	0	0	111.2	E269 A273 L274 C275 H282 P283 V284 M288 S289 S290	E269-F286 HydrophobicContact CG-CD2 4.25Å; A273-F286 WeakPolarHBondContact O-CE2 3.38Å; A273-F286 WeakPolarHBondContact O-CZ 3.35Å; L274-F286 HydrophobicContact CD2-CD2 3.97Å; L274-F286 HydrophobicContact CD2-CE2 3.9Å; C275-F286 HydrophobicContact CB-CD1 4.38Å; C275-F286 HydrophobicContact CB-CE1 3.47Å; C275-F286 VanDerWaalsContact CB-CE1 3.47Å; C275-F286 HydrophobicContact CB-CZ 4.15Å; H282-F286 HydrophobicContact CB-CD1 3.79Å; H282-F286 HydrophobicContact CB-CE1 4.32Å; H282-F286 AromaticContact CG-CD1 3.87Å; H282-F286 AromaticContact CG-CE1 3.88Å; H282-F286 AromaticContact ND1-CE1 3.81Å; P283-F286 HydrophobicContact CB-CB 4.3Å; P283-F286 WeakPolarHBondContact O-CA 3.47Å; P283-F286 VanDerWaalsContact O-CB 3.28Å; P283-F286 WeakPolarHBondContact O-CB 3.4Å; P283-F286 PolarHBondContact O-N 3.25Å; V284-F286 VanDerWaalsContact C-N 3.26Å; V284-F286 PolarHBondContact O-N 3.3Å; F286-M288 PolarHBondContact O-N 3.27Å; F286-S289 WeakPolarHBondContact O-CB 3.34Å; F286-S289 PolarHBondContact O-N 3Å; F286-S289 VanDerWaalsContact O-N 3.16Å; F286-S290 PolarHBondContact O-N 2.83Å; F286-S290 PolarHBondContact O-OG 2.96Å
287	L	92.1	Very high	90.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.7	-43.4	172.4	-65.3	-179.2	0	0	0	112.6	R226 F228 L231 H282 P283 V284 S289 S290 L291 M296	R226-L287 VanDerWaalsContact O-CD1 3.25Å; R226-L287 WeakPolarHBondContact O-CD1 3.47Å; F228-L287 HydrophobicContact CB-CD1 4.44Å; F228-L287 HydrophobicContact CB-CD2 4.44Å; L231-L287 HydrophobicContact CD1-CD1 3.8Å; H282-L287 HydrophobicContact CB-CD2 3.94Å; H282-L287 HydrophobicContact CB-CG 4.1Å; P283-L287 PolarHBondContact O-N 3.35Å; P283-L287 VanDerWaalsContact O-N 3.14Å; V284-L287 PolarHBondContact O-N 3.38Å; L287-S289 VanDerWaalsContact C-N 3.32Å; L287-S289 PolarHBondContact O-N 3.25Å; L287-S290 WeakPolarHBondContact O-CB 3.45Å; L287-S290 PolarHBondContact O-N 2.82Å; L287-L291 PolarHBondContact O-N 3.06Å; L287-M296 HydrophobicContact CD2-CE 3.92Å
288	M	92.8	Very high	90.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.4	-36.2	176	-69.4	-55.4	-57.9	0	0	112.1	L215 I220 I257 F265 F267 V284 F286 L291 L292	L215-M288 HydrophobicContact CD1-CE 4.36Å; L215-M288 HydrophobicContact CD1-SD 4.25Å; I220-M288 HydrophobicContact CD1-CE 3.91Å; I220-M288 HydrophobicContact CD1-CG 4.4Å; I220-M288 HydrophobicContact CD1-SD 3.7Å; I220-M288 HydrophobicContact CG2-CG 3.93Å; I257-M288 HydrophobicContact CD1-CE 3.77Å; I257-M288 HydrophobicContact CG1-CE 4.1Å; I257-M288 HydrophobicContact CG2-CE 4.05Å; F265-M288 HydrophobicContact CE2-CG 4.41Å; F267-M288 HydrophobicContact CE1-CB 4.22Å; V284-M288 HydrophobicContact CG1-CG 4.3Å; V284-M288 WeakPolarHBondContact O-CG 3.46Å; V284-M288 PolarHBondContact O-N 3.36Å; F286-M288 PolarHBondContact O-N 3.27Å; M288-L291 PolarHBondContact O-N 2.91Å; M288-L292 WeakPolarHBondContact O-CB 3.39Å; M288-L292 VanDerWaalsContact O-CG 3.27Å; M288-L292 WeakPolarHBondContact O-CG 3.16Å; M288-L292 PolarHBondContact O-N 3.17Å
289	S	91.6	Very high	90.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.5	-47	173.9	-157.6	0	0	0	0	111	S285 F286 L287 L291 L292 R293	S285-S289 WeakPolarHBondContact O-CB 3.38Å; S285-S289 PolarHBondContact O-N 2.9Å; F286-S289 WeakPolarHBondContact O-CB 3.34Å; F286-S289 PolarHBondContact O-N 3Å; F286-S289 VanDerWaalsContact O-N 3.16Å; L287-S289 VanDerWaalsContact C-N 3.32Å; L287-S289 PolarHBondContact O-N 3.25Å; S289-L291 PolarHBondContact O-N 3.33Å; S289-L292 PolarHBondContact O-N 2.78Å; S289-R293 WeakPolarHBondContact O-CB 3.46Å; S289-R293 PolarHBondContact O-N 3.45Å
290	S	92.9	Very high	91.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.4	-45.3	175.6	-70.4	0	0	0	0	112.9	C275 F286 L287 K294 V295 M296	C275-S290 PolarHBondContact N-OG 2.78Å; C275-S290 VanDerWaalsContact N-OG 3.13Å; C275-S290 WeakPolarHBondContact O-CB 3.42Å; C275-S290 PolarHBondContact O-OG 3.16Å; F286-S290 PolarHBondContact O-N 2.83Å; F286-S290 PolarHBondContact O-OG 2.96Å; L287-S290 WeakPolarHBondContact O-CB 3.45Å; L287-S290 PolarHBondContact O-N 2.82Å; S290-K294 PolarHBondContact O-N 3.17Å; S290-V295 PolarHBondContact O-N 2.77Å; S290-M296 PolarHBondContact O-N 3.18Å
291	L	92.9	Very high	91.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-67.5	-49.4	179.6	-178.7	68.5	0	0	0	111.9	L215 F228 F255 I257 L287 M288 S289 R293 K294 L302	L215-L291 HydrophobicContact CD1-CD2 4.12Å; F228-L291 HydrophobicContact CE2-CD1 4.48Å; F228-L291 HydrophobicContact CE2-CD2 3.94Å; F228-L291 HydrophobicContact CZ-CD1 4.05Å; F228-L291 HydrophobicContact CZ-CD2 4.01Å; F255-L291 HydrophobicContact CB-CD2 4.37Å; F255-L291 HydrophobicContact CD2-CD1 4.09Å; F255-L291 HydrophobicContact CE2-CD1 4.28Å; F255-L291 HydrophobicContact CG-CD1 4.49Å; F255-L291 HydrophobicContact CG-CD2 4.27Å; I257-L291 HydrophobicContact CD1-CD2 4.06Å; L287-L291 PolarHBondContact O-N 3.06Å; M288-L291 PolarHBondContact O-N 2.91Å; S289-L291 PolarHBondContact O-N 3.33Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-R293 PolarHBondContact O-N 2.92Å; L291-K294 PolarHBondContact O-N 3.07Å; L291-K294 VanDerWaalsContact O-N 3.08Å; L291-L302 HydrophobicContact CD1-CD2 4.11Å; L291-L302 HydrophobicContact CD2-CD2 4.4Å; L291-L302 HydrophobicContact CG-CD2 4.08Å
292	L	93	Very high	91.7	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-62.9	-38.1	-177.6	-74.9	168.4	0	0	0	112.3	I257 F260 F267 M288 S289 K294 V304 L314 L317 L318	I257-L292 HydrophobicContact CD1-CD2 3.57Å; I257-L292 HydrophobicContact CD1-CG 4.2Å; F260-L292 HydrophobicContact CD2-CD1 4.14Å; F260-L292 HydrophobicContact CE2-CD1 3.71Å; F267-L292 HydrophobicContact CE1-CD1 4.39Å; F267-L292 HydrophobicContact CZ-CD1 4.19Å; M288-L292 WeakPolarHBondContact O-CB 3.39Å; M288-L292 VanDerWaalsContact O-CG 3.27Å; M288-L292 WeakPolarHBondContact O-CG 3.16Å; M288-L292 PolarHBondContact O-N 3.17Å; S289-L292 PolarHBondContact O-N 2.78Å; L292-K294 PolarHBondContact O-N 3.47Å; L292-V304 HydrophobicContact CD2-CG2 4.03Å; L292-L314 HydrophobicContact CD2-CD1 4.29Å; L292-L317 HydrophobicContact CD1-CD1 4.43Å; L292-L318 HydrophobicContact CB-CD2 4.21Å; L292-L318 HydrophobicContact CD2-CD2 4.01Å; L292-L318 VanDerWaalsContact O-CD2 3.24Å; L292-L318 WeakPolarHBondContact O-CD2 3.41Å
293	R	92.1	Very high	91.9	Very high	36 Å²	36	19.3 Å²	19.3	14%	0.136	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-0.2	177.8	-71	171.4	179.2	-164.5	14.1	113.5	F267 E269 L274 S289 L291 V295 L317	F267-R293 PolarHBondContact O-NH2 3.42Å; E269-R293 PolarHBondContact O-NH1 3.03Å; E269-R293 PolarHBondContact O-NH2 3.06Å; L274-R293 HydrophobicContact CD1-CB 4.24Å; L274-R293 VanDerWaalsContact CD1-CD 3.48Å; L274-R293 HydrophobicContact CD1-CG 4.47Å; S289-R293 WeakPolarHBondContact O-CB 3.46Å; S289-R293 PolarHBondContact O-N 3.45Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-R293 PolarHBondContact O-N 2.92Å; R293-V295 HydrophobicContact CB-CG2 4.3Å; R293-V295 PolarHBondContact O-N 3.43Å; R293-L317 HydrophobicContact CG-CB 4.43Å; R293-L317 WeakPolarHBondContact CG-O 3.4Å; R293-L317 VanDerWaalsContact NE-CD2 3.35Å; R293-L317 VanDerWaalsContact NH2-CD2 3.32Å
294	K	91.5	Very high	92.1	Very high	27 Å²	27	16.7 Å²	16.7	12%	0.117	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	26.1	-177.8	-73.1	177	163.7	-94.7	0	113.8	T177 S290 L291 L292 P298 A300	T177-K294 WeakPolarHBondContact OG1-CE 3.3Å; S290-K294 PolarHBondContact O-N 3.17Å; L291-K294 PolarHBondContact O-N 3.07Å; L291-K294 VanDerWaalsContact O-N 3.08Å; L292-K294 PolarHBondContact O-N 3.47Å; K294-P298 PolarHBondContact NZ-O 3Å; K294-P298 WeakPolarHBondContact O-CB 3.26Å; K294-A300 PolarHBondContact NZ-O 3.48Å
295	V	91.3	Very high	92.3	Very high	26 Å²	26	16.6 Å²	16.6	16%	0.158	9%	0.088	C	C	.	.	S	Bend	trans	-72.8	-41.8	167.5	177.1	0	0	0	0	109.2	E271 L274 E276 S290 R293	E271-V295 HydrophobicContact CG-CG2 3.75Å; L274-V295 HydrophobicContact CB-CB 4.15Å; L274-V295 HydrophobicContact CB-CG1 3.93Å; L274-V295 HydrophobicContact CB-CG2 4.12Å; L274-V295 HydrophobicContact CD1-CG2 3.88Å; E276-V295 HydrophobicContact CG-CG1 3.86Å; S290-V295 PolarHBondContact O-N 2.77Å; R293-V295 HydrophobicContact CB-CG2 4.3Å; R293-V295 PolarHBondContact O-N 3.43Å
296	M	91.1	Very high	92.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-96.7	128.3	170.8	-176.8	178.5	-64.9	0	0	109.3	F228 C275 W278 L287 S290	F228-M296 HydrophobicContact CB-CE 4.46Å; F228-M296 HydrophobicContact CB-SD 3.74Å; F228-M296 HydrophobicContact CD1-SD 3.92Å; F228-M296 HydrophobicContact CD2-SD 3.91Å; F228-M296 HydrophobicContact CG-SD 3.57Å; F228-M296 VanDerWaalsContact CG-SD 3.57Å; C275-M296 WeakPolarHBondContact O-CE 3.41Å; W278-M296 HydrophobicContact CB-SD 4.35Å; L287-M296 HydrophobicContact CD2-CE 3.92Å; S290-M296 PolarHBondContact O-N 3.18Å
297	L	90.4	Very high	92.2	Very high	18 Å²	18	15.2 Å²	15.2	9%	0.094	8%	0.077	C	C	.	.	S	Bend	trans	55.3	62.7	-179.7	-54.6	174.6	0	0	0	113.7	F228 I247 P250 F255 E299 A300	F228-L297 HydrophobicContact CD1-CD1 4.38Å; F228-L297 HydrophobicContact CE1-CD1 3.63Å; F228-L297 HydrophobicContact CZ-CD1 4.32Å; I247-L297 HydrophobicContact CG2-CD2 3.71Å; P250-L297 HydrophobicContact CB-CD2 4.3Å; F255-L297 HydrophobicContact CE2-CD1 3.71Å; F255-L297 HydrophobicContact CZ-CD1 3.68Å; L297-E299 VanDerWaalsContact C-N 3.27Å; L297-E299 PolarHBondContact O-N 3.23Å; L297-A300 HydrophobicContact CB-CB 3.94Å; L297-A300 WeakPolarHBondContact O-CB 3.34Å; L297-A300 PolarHBondContact O-N 3.05Å; L297-A300 VanDerWaalsContact O-N 3.09Å
298	P	89.2	Confident	91.7	Very high	74 Å²	74	19 Å²	19	48%	0.481	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-34.5	-173.8	21.7	-33	0	0	0	114	Q176 K294 A300	Q176-P298 PolarHBondContact OE1-O 2.92Å; K294-P298 PolarHBondContact NZ-O 3Å; K294-P298 WeakPolarHBondContact O-CB 3.26Å; P298-A300 VanDerWaalsContact C-N 3.34Å
299	E	89.8	Confident	90.8	Very high	100 Å²	100	20.9 Å²	20.9	47%	0.467	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-13	-178.9	-62.1	-177.3	-167.2	0	0	114	P250 L297	P250-E299 HydrophobicContact CB-CB 4.15Å; P250-E299 HydrophobicContact CG-CB 4.03Å; P250-E299 HydrophobicContact CG-CG 4.49Å; L297-E299 VanDerWaalsContact C-N 3.27Å; L297-E299 PolarHBondContact O-N 3.23Å
300	A	92.7	Very high	90.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-68.3	147.3	-178.2	0	0	0	0	0	112.1	P250 L253 F255 K294 L297 P298	P250-A300 VanDerWaalsContact O-CA 3.25Å; P250-A300 WeakPolarHBondContact O-CA 2.9Å; L253-A300 HydrophobicContact CB-CB 4.35Å; F255-A300 HydrophobicContact CD2-CB 3.98Å; F255-A300 HydrophobicContact CE2-CB 3.76Å; K294-A300 PolarHBondContact NZ-O 3.48Å; L297-A300 HydrophobicContact CB-CB 3.94Å; L297-A300 WeakPolarHBondContact O-CB 3.34Å; L297-A300 PolarHBondContact O-N 3.05Å; L297-A300 VanDerWaalsContact O-N 3.09Å; P298-A300 VanDerWaalsContact C-N 3.34Å
301	S	94.5	Very high	89.6	Confident	5 Å²	5	21.9 Å²	21.9	4%	0.035	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	141.2	175.2	-65.8	0	0	0	0	111.1	Q176 F209 L253 L254 F255	Q176-S301 CarbonylContact O-C 3.36Å; Q176-S301 WeakPolarHBondContact O-CA 3.27Å; F209-S301 VanDerWaalsContact CE1-CB 3.47Å; F209-S301 VanDerWaalsContact CE1-OG 3.31Å; F209-S301 WeakPolarHBondContact CE1-OG 3.28Å; L253-S301 PolarHBondContact O-N 2.9Å; L254-S301 WeakPolarHBondContact CA-O 3.24Å; F255-S301 PolarHBondContact N-O 3.02Å
302	L	95.8	Very high	89	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.7	180	-56	-179.4	0	0	0	110.3	Q176 T177 V178 F255 L291 V304	Q176-L302 PolarHBondContact O-N 3.25Å; T177-L302 CarbonylContact C-O 3.21Å; T177-L302 WeakPolarHBondContact CA-O 2.85Å; T177-L302 HydrophobicContact CG2-CB 4.02Å; T177-L302 HydrophobicContact CG2-CD1 4.44Å; V178-L302 PolarHBondContact N-O 2.65Å; F255-L302 HydrophobicContact CB-CD2 3.79Å; F255-L302 HydrophobicContact CD2-CD2 4.08Å; F255-L302 HydrophobicContact CG-CD2 4.34Å; F255-L302 WeakPolarHBondContact O-CA 3.02Å; L291-L302 HydrophobicContact CD1-CD2 4.11Å; L291-L302 HydrophobicContact CD2-CD2 4.4Å; L291-L302 HydrophobicContact CG-CD2 4.08Å; L302-V304 HydrophobicContact CB-CG2 4.37Å
303	L	95.6	Very high	88.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	105.1	166.6	177.5	58.9	0	0	0	109.1	L164 F165 V178 L180 V192 L254 F255 I256 I257	L164-L303 HydrophobicContact CD1-CD1 3.92Å; L164-L303 HydrophobicContact CD1-CD2 4.16Å; F165-L303 HydrophobicContact CZ-CB 4.18Å; V178-L303 HydrophobicContact CB-CD1 4.04Å; V178-L303 HydrophobicContact CG1-CD1 3.89Å; V178-L303 CarbonylContact O-C 3.49Å; V178-L303 WeakPolarHBondContact O-CA 3.41Å; L180-L303 HydrophobicContact CB-CD1 4.35Å; V192-L303 HydrophobicContact CG1-CD2 4.02Å; V192-L303 HydrophobicContact CG1-CG 4.47Å; L254-L303 HydrophobicContact CD1-CB 4.12Å; F255-L303 PolarHBondContact O-N 3.22Å; I256-L303 CarbonylContact C-O 3.55Å; I256-L303 WeakPolarHBondContact CA-O 3.24Å; I256-L303 HydrophobicContact CD1-CD2 4.28Å; I256-L303 HydrophobicContact CG1-CB 4.29Å; I256-L303 HydrophobicContact CG1-CD2 4.35Å; I257-L303 PolarHBondContact N-O 3.12Å
304	V	95.3	Very high	88.4	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.7	-175.4	-170.5	0	0	0	0	110.1	V178 V179 L180 I257 F260 L292 L302 L314	V178-V304 PolarHBondContact O-N 3.04Å; V179-V304 CarbonylContact C-O 3.56Å; V179-V304 WeakPolarHBondContact CA-O 3.28Å; L180-V304 PolarHBondContact N-O 3.4Å; I257-V304 HydrophobicContact CB-CG1 4.29Å; I257-V304 HydrophobicContact CB-CG2 4.29Å; I257-V304 HydrophobicContact CD1-CG2 4.26Å; I257-V304 HydrophobicContact CG2-CG1 4.35Å; I257-V304 CarbonylContact O-C 3.47Å; I257-V304 WeakPolarHBondContact O-CA 3.37Å; F260-V304 HydrophobicContact CB-CG1 3.75Å; F260-V304 HydrophobicContact CD2-CG1 4.47Å; F260-V304 HydrophobicContact CG-CG1 4.28Å; L292-V304 HydrophobicContact CD2-CG2 4.03Å; L302-V304 HydrophobicContact CB-CG2 4.37Å; V304-L314 HydrophobicContact CB-CD2 4.22Å; V304-L314 HydrophobicContact CG1-CD1 4.34Å; V304-L314 HydrophobicContact CG1-CD2 3.66Å
305	T	94.3	Very high	88.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	136.8	172.6	79.5	0	0	0	0	111.1	L180 V192 I257 D258 S259 F260	L180-T305 HydrophobicContact CB-CG2 4.34Å; L180-T305 HydrophobicContact CD2-CG2 4.25Å; L180-T305 VanDerWaalsContact O-CA 3.29Å; L180-T305 WeakPolarHBondContact O-CA 3.48Å; V192-T305 HydrophobicContact CB-CG2 4.4Å; V192-T305 HydrophobicContact CG1-CG2 3.39Å; V192-T305 HydrophobicContact CG2-CG2 4.18Å; I257-T305 PolarHBondContact O-N 3.41Å; D258-T305 WeakPolarHBondContact CA-OG1 3.49Å; D258-T305 PolarHBondContact OD1-OG1 3.33Å; S259-T305 PolarHBondContact N-O 3.13Å; S259-T305 PolarHBondContact N-OG1 3.23Å; F260-T305 WeakPolarHBondContact CB-O 3.48Å; F260-T305 PolarHBondContact N-O 2.98Å
306	T	91	Very high	87.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	166.4	-179.5	-172.5	0	0	0	0	112.5	V179 L180 Q181 G182 K188 T310 L314	V179-T306 HydrophobicContact CG1-CG2 3.67Å; L180-T306 PolarHBondContact O-N 3.5Å; Q181-T306 VanDerWaalsContact CA-O 3.3Å; Q181-T306 WeakPolarHBondContact CA-O 3.47Å; Q181-T306 HydrophobicContact CB-CG2 4.05Å; G182-T306 PolarHBondContact N-O 2.91Å; K188-T306 WeakPolarHBondContact CD-O 3.4Å; K188-T306 WeakPolarHBondContact CE-O 3.4Å; T306-T310 PolarHBondContact OG1-OG1 2.97Å; T306-L314 HydrophobicContact CG2-CD2 3.96Å
307	R	86.7	Confident	87.6	Confident	31 Å²	31	42.1 Å²	42.1	12%	0.117	20%	0.203	C	C	.	.			trans	-81.5	158.2	166.5	-65	178.9	-162.2	-157.1	3.5	111.1	D261 T309 T310 S311 Y439	D261-R307 HydrophobicContact CB-CB 4.35Å; D261-R307 HydrophobicContact CB-CG 4.2Å; D261-R307 VanDerWaalsContact OD2-CD 3.31Å; D261-R307 WeakPolarHBondContact OD2-CD 3.16Å; D261-R307 WeakPolarHBondContact OD2-CG 3.01Å; D261-R307 IonicContact OD2-CZ 3.44Å; D261-R307 IonicContact OD2-NE 2.8Å; D261-R307 PolarHBondContact OD2-NE 3.3Å; D261-R307 IonicContact OD2-NH2 3.61Å; R307-T309 VanDerWaalsContact C-N 3.26Å; R307-T309 PolarHBondContact O-N 2.69Å; R307-T310 PolarHBondContact N-OG1 3.02Å; R307-T310 PolarHBondContact O-N 3.34Å; R307-T310 PolarHBondContact O-OG1 3.3Å; R307-T310 VanDerWaalsContact O-OG1 3.1Å; R307-S311 PolarHBondContact O-N 3.14Å; R307-Y439 VanDerWaalsContact NH1-CE2 3.27Å
308	L	80.8	Confident	87.5	Confident	78 Å²	78	41.8 Å²	41.8	41%	0.408	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-59.5	-37.4	174.9	-68	171	0	0	0	112.1	Q181 T310 S311	Q181-L308 HydrophobicContact CB-CD2 4.15Å; Q181-L308 HydrophobicContact CG-CD2 3.77Å; L308-T310 VanDerWaalsContact C-N 3.31Å; L308-T310 PolarHBondContact O-N 3.15Å; L308-S311 WeakPolarHBondContact O-CB 3.46Å; L308-S311 PolarHBondContact O-N 3.47Å
309	T	74.7	Confident	87.1	Confident	40 Å²	40	43.2 Å²	43.2	25%	0.245	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-66.2	-30.8	-178.4	50.9	0	0	0	0	113.5	R307 P522 Q523	R307-T309 VanDerWaalsContact C-N 3.26Å; R307-T309 PolarHBondContact O-N 2.69Å; T309-P522 HydrophobicContact CG2-CG 4.17Å; T309-Q523 HydrophobicContact CG2-CB 4.5Å
310	T	78.6	Confident	86.6	Confident	9 Å²	9	44.3 Å²	44.3	6%	0.055	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-99.7	-4.7	-177.5	49.9	0	0	0	0	113.2	D261 T306 R307 L308 K312 R313 L314 M437	D261-T310 HydrophobicContact CB-CG2 3.8Å; D261-T310 VanDerWaalsContact CB-OG1 3.31Å; D261-T310 WeakPolarHBondContact CB-OG1 3.33Å; T306-T310 PolarHBondContact OG1-OG1 2.97Å; R307-T310 PolarHBondContact N-OG1 3.02Å; R307-T310 PolarHBondContact O-N 3.34Å; R307-T310 PolarHBondContact O-OG1 3.3Å; R307-T310 VanDerWaalsContact O-OG1 3.1Å; L308-T310 VanDerWaalsContact C-N 3.31Å; L308-T310 PolarHBondContact O-N 3.15Å; T310-K312 VanDerWaalsContact C-N 3.29Å; T310-K312 PolarHBondContact O-N 3.4Å; T310-R313 PolarHBondContact O-N 3.13Å; T310-L314 PolarHBondContact O-N 2.75Å; T310-M437 HydrophobicContact CG2-SD 4.3Å
311	S	80.4	Confident	86.3	Confident	12 Å²	12	46.9 Å²	46.9	8%	0.084	22%	0.221	C	C	.	.	H	α-helix	trans	-59.3	-35.5	-179.4	-174.7	0	0	0	0	112.9	Q181 R307 L308 R313 L314 K315 Y323	Q181-S311 VanDerWaalsContact OE1-CB 3.27Å; Q181-S311 PolarHBondContact OE1-OG 3.39Å; R307-S311 PolarHBondContact O-N 3.14Å; L308-S311 WeakPolarHBondContact O-CB 3.46Å; L308-S311 PolarHBondContact O-N 3.47Å; S311-R313 PolarHBondContact O-N 3.08Å; S311-L314 PolarHBondContact O-N 3.31Å; S311-K315 WeakPolarHBondContact O-CB 3.39Å; S311-K315 PolarHBondContact O-N 3.19Å; S311-Y323 WeakPolarHBondContact OG-CE1 3.36Å
312	K	80.1	Confident	86.1	Confident	127 Å²	127	50.5 Å²	50.5	55%	0.552	23%	0.233	S	C	*	.	H	α-helix	trans	-60.4	-41.2	176.6	-69.3	-177.4	-179.2	177.1	0	112.9	T310 K315 Q316	T310-K312 VanDerWaalsContact C-N 3.29Å; T310-K312 PolarHBondContact O-N 3.4Å; K312-K315 PolarHBondContact O-N 3.44Å; K312-Q316 PolarHBondContact O-N 2.86Å
313	R	84.6	Confident	85.8	Confident	81 Å²	81	53.5 Å²	53.5	31%	0.306	25%	0.245	S	C	.	.	H	α-helix	trans	-66	-40.5	176.9	175	172.7	154.9	-137.6	-12.5	110.8	L263 F265 F267 T310 S311	L263-R313 PolarHBondContact O-NH1 2.96Å; L263-R313 PolarHBondContact O-NH2 3.48Å; F265-R313 PolarHBondContact O-NH2 3.02Å; F267-R313 VanDerWaalsContact CE2-NH2 3.34Å; T310-R313 PolarHBondContact O-N 3.13Å; S311-R313 PolarHBondContact O-N 3.08Å
314	L	87.4	Confident	85.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-67.1	-39.4	176	-176.2	58	0	0	0	112	V179 F260 L292 V304 T306 T310 S311 Q316 L317 L318	V179-L314 HydrophobicContact CB-CD2 4.49Å; V179-L314 HydrophobicContact CG1-CD2 3.62Å; V179-L314 HydrophobicContact CG2-CD2 3.99Å; F260-L314 HydrophobicContact CD1-CB 4Å; F260-L314 HydrophobicContact CD1-CD1 4.2Å; F260-L314 HydrophobicContact CD1-CD2 4.25Å; F260-L314 HydrophobicContact CD1-CG 4.38Å; F260-L314 HydrophobicContact CD2-CD1 3.91Å; F260-L314 HydrophobicContact CE1-CB 3.7Å; F260-L314 HydrophobicContact CE1-CD1 4.06Å; F260-L314 HydrophobicContact CE1-CG 4.35Å; F260-L314 HydrophobicContact CE2-CD1 3.76Å; F260-L314 HydrophobicContact CG-CD1 4.14Å; F260-L314 HydrophobicContact CG-CD2 4.34Å; F260-L314 HydrophobicContact CZ-CB 4.18Å; F260-L314 HydrophobicContact CZ-CD1 3.85Å; L292-L314 HydrophobicContact CD2-CD1 4.29Å; V304-L314 HydrophobicContact CB-CD2 4.22Å; V304-L314 HydrophobicContact CG1-CD1 4.34Å; V304-L314 HydrophobicContact CG1-CD2 3.66Å; T306-L314 HydrophobicContact CG2-CD2 3.96Å; T310-L314 PolarHBondContact O-N 2.75Å; S311-L314 PolarHBondContact O-N 3.31Å; L314-Q316 PolarHBondContact O-N 3.11Å; L314-L317 WeakPolarHBondContact O-CB 3.32Å; L314-L317 PolarHBondContact O-N 3.42Å; L314-L318 HydrophobicContact CD1-CD1 3.79Å; L314-L318 HydrophobicContact CD1-CD2 4.06Å; L314-L318 HydrophobicContact CD1-CG 3.83Å; L314-L318 HydrophobicContact CD2-CD1 4.09Å; L314-L318 HydrophobicContact CG-CD1 3.61Å; L314-L318 HydrophobicContact CG-CG 4.06Å; L314-L318 PolarHBondContact O-N 3.17Å
315	K	86.7	Confident	85.3	Confident	127 Å²	127	58.9 Å²	58.9	55%	0.552	27%	0.271	S	S	*	.	H	α-helix	trans	-56.6	-33.7	179.8	-168.2	173.8	-180	-178.4	0	113.3	S311 K312 L317 Y323	S311-K315 WeakPolarHBondContact O-CB 3.39Å; S311-K315 PolarHBondContact O-N 3.19Å; K312-K315 PolarHBondContact O-N 3.44Å; K315-L317 VanDerWaalsContact C-N 3.25Å; K315-L317 PolarHBondContact O-N 3.3Å; K315-Y323 VanDerWaalsContact CA-OH 3.24Å; K315-Y323 WeakPolarHBondContact CA-OH 3.49Å; K315-Y323 WeakPolarHBondContact CB-OH 3.45Å; K315-Y323 HydrophobicContact CD-CE2 4.45Å; K315-Y323 HydrophobicContact CG-CE2 4.41Å; K315-Y323 WeakPolarHBondContact CG-OH 3.29Å
316	Q	85	Confident	84.9	Confident	168 Å²	168	59.6 Å²	59.6	79%	0.785	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.1	178.1	-68.5	174.7	-18.1	0	0	113.1	K312 L314	K312-Q316 PolarHBondContact O-N 2.86Å; L314-Q316 PolarHBondContact O-N 3.11Å
317	L	86.1	Confident	84.4	Confident	13 Å²	13	64.6 Å²	64.6	7%	0.068	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-26.6	-178	-58.5	173.3	0	0	0	112.9	F260 F267 L292 R293 L314 K315	F260-L317 HydrophobicContact CE2-CD1 4.14Å; F260-L317 HydrophobicContact CZ-CD1 3.84Å; F267-L317 HydrophobicContact CB-CD1 4.16Å; F267-L317 HydrophobicContact CB-CD2 3.83Å; F267-L317 HydrophobicContact CD2-CD1 3.77Å; F267-L317 HydrophobicContact CE2-CD1 4.25Å; F267-L317 HydrophobicContact CG-CD1 3.96Å; F267-L317 HydrophobicContact CG-CD2 4.44Å; L292-L317 HydrophobicContact CD1-CD1 4.43Å; R293-L317 HydrophobicContact CG-CB 4.43Å; R293-L317 WeakPolarHBondContact CG-O 3.4Å; R293-L317 VanDerWaalsContact NE-CD2 3.35Å; R293-L317 VanDerWaalsContact NH2-CD2 3.32Å; L314-L317 WeakPolarHBondContact O-CB 3.32Å; L314-L317 PolarHBondContact O-N 3.42Å; K315-L317 VanDerWaalsContact C-N 3.25Å; K315-L317 PolarHBondContact O-N 3.3Å
318	L	89.3	Confident	84.2	Confident	11 Å²	11	64.8 Å²	64.8	6%	0.058	31%	0.313	C	S	.	.			trans	-97.9	133.6	-168.5	-59.6	-179.8	0	0	0	113.2	T177 V179 L292 L314 H321	T177-L318 HydrophobicContact CG2-CD1 3.82Å; T177-L318 HydrophobicContact CG2-CD2 4.12Å; T177-L318 HydrophobicContact CG2-CG 4.41Å; V179-L318 HydrophobicContact CG2-CD1 3.29Å; L292-L318 HydrophobicContact CB-CD2 4.21Å; L292-L318 HydrophobicContact CD2-CD2 4.01Å; L292-L318 VanDerWaalsContact O-CD2 3.24Å; L292-L318 WeakPolarHBondContact O-CD2 3.41Å; L314-L318 HydrophobicContact CD1-CD1 3.79Å; L314-L318 HydrophobicContact CD1-CD2 4.06Å; L314-L318 HydrophobicContact CD1-CG 3.83Å; L314-L318 HydrophobicContact CD2-CD1 4.09Å; L314-L318 HydrophobicContact CG-CD1 3.61Å; L314-L318 HydrophobicContact CG-CG 4.06Å; L314-L318 PolarHBondContact O-N 3.17Å; L318-H321 HydrophobicContact CB-CB 4.08Å; L318-H321 HydrophobicContact CD1-CB 4.22Å; L318-H321 PolarHBondContact O-CE1 2.81Å; L318-H321 PolarHBondContact O-ND1 3.37Å; L318-H321 VanDerWaalsContact O-ND1 3.11Å
319	K	80.4	Confident	84.3	Confident	104 Å²	104	62.1 Å²	62.1	45%	0.452	30%	0.299	S	S	.	.	S	Bend	trans	-97.2	140.9	167.4	-63.9	178.6	178.4	175.7	0	109.9	E271	E271-K319 WeakPolarHBondContact OE1-CE 3.25Å; E271-K319 IonicContact OE1-NZ 3.1Å; E271-K319 PolarHBondContact OE1-NZ 3.09Å; E271-K319 IonicContact OE2-NZ 2.76Å; E271-K319 PolarHBondContact OE2-NZ 3.02Å
320	N	78.6	Confident	84.7	Confident	123 Å²	123	63.3 Å²	63.3	66%	0.658	31%	0.309	S	S	*	.	S	Bend	trans	46.4	72.2	176.5	-63.1	-5.9	0	0	0	114.7
321	H	86.9	Confident	85	Confident	55 Å²	55	67.1 Å²	67.1	26%	0.255	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.2	-171.1	58.3	-89.2	0	0	0	113.8	T177 L318 Y323	T177-H321 HydrophobicContact CG2-CB 4.04Å; T177-H321 CarbonylContact O-C 3.54Å; T177-H321 VanDerWaalsContact O-CA 3.25Å; T177-H321 WeakPolarHBondContact O-CA 3.36Å; L318-H321 HydrophobicContact CB-CB 4.08Å; L318-H321 HydrophobicContact CD1-CB 4.22Å; L318-H321 PolarHBondContact O-CE1 2.81Å; L318-H321 PolarHBondContact O-ND1 3.37Å; L318-H321 VanDerWaalsContact O-ND1 3.11Å; H321-Y323 AromaticContact CD2-CD2 3.72Å; H321-Y323 AromaticContact CD2-CE2 3.08Å; H321-Y323 WeakPolarHBondContact CD2-CE2 3.42Å; H321-Y323 AromaticContact CD2-CZ 3.57Å; H321-Y323 AromaticContact NE2-CE2 3.14Å; H321-Y323 WeakPolarHBondContact NE2-CE2 3.23Å; H321-Y323 AromaticContact NE2-CZ 3.69Å; H321-Y323 PolarHBondContact NE2-OH 3.36Å
322	R	89.9	Confident	85.1	Confident	80 Å²	80	68.7 Å²	68.7	30%	0.302	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125	174.4	-178.6	177.1	-179.2	-170.6	2.8	110.6	H163 L164 P175 T177 V178 V179 V324	H163-R322 PolarHBondContact O-NH1 3.33Å; H163-R322 VanDerWaalsContact O-NH1 3.1Å; L164-R322 PolarHBondContact O-NH1 3.46Å; P175-R322 HydrophobicContact CB-CB 3.86Å; P175-R322 HydrophobicContact CG-CB 4.28Å; T177-R322 PolarHBondContact O-N 3.47Å; V178-R322 CarbonylContact C-O 3.51Å; V178-R322 WeakPolarHBondContact CA-O 3.34Å; V179-R322 PolarHBondContact N-O 3.39Å; R322-V324 HydrophobicContact CG-CG2 4.25Å
323	Y	89.6	Confident	85.3	Confident	64 Å²	64	63.9 Å²	63.9	25%	0.251	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	134.2	170.8	-72.4	-82.4	0	0	0	111.2	V179 Q181 S311 K315 H321	V179-Y323 HydrophobicContact CB-CD1 3.65Å; V179-Y323 HydrophobicContact CB-CE1 3.71Å; V179-Y323 HydrophobicContact CB-CG 4.46Å; V179-Y323 HydrophobicContact CG1-CD1 3.74Å; V179-Y323 HydrophobicContact CG1-CE1 3.6Å; V179-Y323 HydrophobicContact CG2-CD1 4.4Å; V179-Y323 HydrophobicContact CG2-CE1 4.04Å; V179-Y323 WeakPolarHBondContact O-CA 3.38Å; Q181-Y323 HydrophobicContact CG-CD1 4.46Å; S311-Y323 WeakPolarHBondContact OG-CE1 3.36Å; K315-Y323 VanDerWaalsContact CA-OH 3.24Å; K315-Y323 WeakPolarHBondContact CA-OH 3.49Å; K315-Y323 WeakPolarHBondContact CB-OH 3.45Å; K315-Y323 HydrophobicContact CD-CE2 4.45Å; K315-Y323 HydrophobicContact CG-CE2 4.41Å; K315-Y323 WeakPolarHBondContact CG-OH 3.29Å; H321-Y323 AromaticContact CD2-CD2 3.72Å; H321-Y323 AromaticContact CD2-CE2 3.08Å; H321-Y323 WeakPolarHBondContact CD2-CE2 3.42Å; H321-Y323 AromaticContact CD2-CZ 3.57Å; H321-Y323 AromaticContact NE2-CE2 3.14Å; H321-Y323 WeakPolarHBondContact NE2-CE2 3.23Å; H321-Y323 AromaticContact NE2-CZ 3.69Å; H321-Y323 PolarHBondContact NE2-OH 3.36Å
324	V	89.9	Confident	85.4	Confident	16 Å²	16	60.7 Å²	60.7	10%	0.097	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.2	174.1	-179.8	0	0	0	0	107.9	L160 L164 V178 V179 L180 Q181 R322	L160-V324 HydrophobicContact CD1-CG1 3.72Å; L160-V324 HydrophobicContact CD2-CG1 4.43Å; L160-V324 HydrophobicContact CG-CG1 4.43Å; L164-V324 HydrophobicContact CD2-CB 4.26Å; L164-V324 HydrophobicContact CD2-CG1 4.01Å; L164-V324 HydrophobicContact CD2-CG2 3.96Å; V178-V324 HydrophobicContact CG1-CG2 4.06Å; V179-V324 PolarHBondContact O-N 3.49Å; L180-V324 CarbonylContact C-O 3.51Å; L180-V324 WeakPolarHBondContact CA-O 3.22Å; L180-V324 HydrophobicContact CD1-CB 4.28Å; L180-V324 HydrophobicContact CD1-CG1 4.05Å; Q181-V324 PolarHBondContact N-O 3.13Å; R322-V324 HydrophobicContact CG-CG2 4.25Å
325	E	89.6	Confident	85.4	Confident	97 Å²	97	64.1 Å²	64.1	45%	0.453	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.2	179.4	-171.6	173.7	-177.1	0	0	111.6	Q181 L327	Q181-E325 HydrophobicContact CG-CB 4.41Å; Q181-E325 CarbonylContact O-C 3.47Å; Q181-E325 WeakPolarHBondContact O-CA 3Å; E325-L327 HydrophobicContact CB-CD2 4.5Å; E325-L327 HydrophobicContact CG-CD2 3.81Å; E325-L327 HydrophobicContact CG-CG 4.47Å
326	L	86.9	Confident	85.3	Confident	15 Å²	15	63.4 Å²	63.4	8%	0.079	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	103.9	172.7	-170	63	0	0	0	109.4	L160 L180 Q181 V186 K188 L191	L160-L326 HydrophobicContact CD2-CD1 4.04Å; L180-L326 HydrophobicContact CD1-CB 4.18Å; Q181-L326 PolarHBondContact O-N 3.03Å; V186-L326 HydrophobicContact CG1-CB 4.36Å; V186-L326 HydrophobicContact CG1-CD2 4Å; V186-L326 HydrophobicContact CG1-CG 4.25Å; V186-L326 HydrophobicContact CG2-CG 4.4Å; V186-L326 WeakPolarHBondContact CG2-O 3.43Å; K188-L326 HydrophobicContact CG-CD2 3.97Å; L191-L326 HydrophobicContact CD2-CD1 4.25Å; L191-L326 HydrophobicContact CD2-CD2 4.25Å
327	L	80	Confident	85.4	Confident	106 Å²	106	56.1 Å²	56.1	56%	0.555	30%	0.296	S	S	*	.			trans	-82.3	-12.7	-171.2	-61.8	171.8	0	0	0	114.6	E325	E325-L327 HydrophobicContact CB-CD2 4.5Å; E325-L327 HydrophobicContact CG-CD2 3.81Å; E325-L327 HydrophobicContact CG-CG 4.47Å
328	G	82.4	Confident	85.5	Confident	35 Å²	35	55.5 Å²	55.5	36%	0.361	29%	0.293	S	S	.	.			trans	79.6	-149.6	-177.6	0	0	0	0	0	113.8
329	M	82.8	Confident	85.4	Confident	21 Å²	21	58.7 Å²	58.7	10%	0.103	31%	0.305	C	S	.	.	S	Bend	trans	-70.2	133.2	-175.3	-63.4	-172.3	-60	0	0	112	F149 A333 R334 C365 Q366 P368 C371	F149-M329 HydrophobicContact CE1-SD 4.04Å; F149-M329 HydrophobicContact CZ-SD 4.37Å; M329-A333 HydrophobicContact CB-CB 4.19Å; M329-R334 HydrophobicContact CB-CG 3.89Å; M329-R334 HydrophobicContact CE-CG 4.05Å; M329-C365 WeakPolarHBondContact CE-O 2.85Å; M329-Q366 PolarHBondContact N-O 3.4Å; M329-P368 HydrophobicContact CE-CB 4.24Å; M329-P368 HydrophobicContact CE-CG 4.25Å; M329-P368 HydrophobicContact CG-CG 3.92Å; M329-P368 HydrophobicContact SD-CB 4.14Å; M329-P368 HydrophobicContact SD-CG 3.94Å; M329-C371 HydrophobicContact CE-CB 3.53Å
330	S	83.7	Confident	85.7	Confident	66 Å²	66	59 Å²	59	46%	0.462	31%	0.307	S	S	.	.			trans	-65.3	168.2	171.2	69.6	0	0	0	0	111.5	G332 A333 R334	S330-G332 VanDerWaalsContact C-N 3.33Å; S330-G332 PolarHBondContact O-N 2.99Å; S330-A333 PolarHBondContact O-N 3.4Å; S330-A333 WeakPolarHBondContact OG-CB 3.07Å; S330-A333 PolarHBondContact OG-N 3.38Å; S330-A333 VanDerWaalsContact OG-N 3.09Å; S330-R334 WeakPolarHBondContact O-CB 3.46Å; S330-R334 WeakPolarHBondContact O-CG 3.35Å; S330-R334 PolarHBondContact O-N 3.31Å; S330-R334 PolarHBondContact O-NE 3.1Å
331	E	85.2	Confident	86.2	Confident	89 Å²	89	55 Å²	55	42%	0.416	28%	0.284	S	S	.	.	H	α-helix	trans	-57.3	-45.2	171.8	-176.9	168.5	170.9	0	0	112.4	A333 R334 E335 K356 F362	E331-A333 PolarHBondContact O-N 3.19Å; E331-R334 WeakPolarHBondContact O-CB 3.3Å; E331-R334 PolarHBondContact O-N 2.84Å; E331-E335 PolarHBondContact O-N 3.49Å; E331-K356 VanDerWaalsContact OE1-CE 3.32Å; E331-K356 WeakPolarHBondContact OE1-CE 3.33Å; E331-K356 IonicContact OE1-NZ 3.7Å; E331-K356 PolarHBondContact OE1-NZ 3.03Å; E331-F362 HydrophobicContact CG-CE1 3.82Å; E331-F362 HydrophobicContact CG-CZ 3.9Å
332	G	82.6	Confident	86.2	Confident	44 Å²	44	52.7 Å²	52.7	45%	0.454	27%	0.274	S	S	.	.	H	α-helix	trans	-63.1	-41.6	176.8	0	0	0	0	0	113	S330 R334 E335 E336	S330-G332 VanDerWaalsContact C-N 3.33Å; S330-G332 PolarHBondContact O-N 2.99Å; G332-R334 VanDerWaalsContact C-N 3.35Å; G332-R334 PolarHBondContact O-N 3.2Å; G332-E335 PolarHBondContact O-N 2.78Å; G332-E336 PolarHBondContact O-N 3.49Å
333	A	83.1	Confident	85.9	Confident	27 Å²	27	57.3 Å²	57.3	22%	0.223	30%	0.299	C	S	.	.	H	α-helix	trans	-66.8	-35.4	177	0	0	0	0	0	112.4	M329 S330 E331 Y337	M329-A333 HydrophobicContact CB-CB 4.19Å; S330-A333 PolarHBondContact O-N 3.4Å; S330-A333 WeakPolarHBondContact OG-CB 3.07Å; S330-A333 PolarHBondContact OG-N 3.38Å; S330-A333 VanDerWaalsContact OG-N 3.09Å; E331-A333 PolarHBondContact O-N 3.19Å; A333-Y337 WeakPolarHBondContact O-CB 3.15Å; A333-Y337 PolarHBondContact O-N 3.04Å
334	R	87.1	Confident	85.9	Confident	13 Å²	13	57.7 Å²	57.7	5%	0.049	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-44.3	173.1	-77.5	177.8	-74.3	172.2	2.8	111.5	M329 S330 E331 G332 I338 F362 N363	M329-R334 HydrophobicContact CB-CG 3.89Å; M329-R334 HydrophobicContact CE-CG 4.05Å; S330-R334 WeakPolarHBondContact O-CB 3.46Å; S330-R334 WeakPolarHBondContact O-CG 3.35Å; S330-R334 PolarHBondContact O-N 3.31Å; S330-R334 PolarHBondContact O-NE 3.1Å; E331-R334 WeakPolarHBondContact O-CB 3.3Å; E331-R334 PolarHBondContact O-N 2.84Å; G332-R334 VanDerWaalsContact C-N 3.35Å; G332-R334 PolarHBondContact O-N 3.2Å; R334-I338 WeakPolarHBondContact O-CD1 3.24Å; R334-I338 VanDerWaalsContact O-CG1 3.27Å; R334-I338 WeakPolarHBondContact O-CG1 3.18Å; R334-I338 PolarHBondContact O-N 3.41Å; R334-I338 VanDerWaalsContact O-N 3.09Å; R334-F362 HydrophobicContact CB-CE2 4.2Å; R334-F362 HydrophobicContact CB-CZ 4.19Å; R334-F362 VanDerWaalsContact NH1-C 3.32Å; R334-F362 VanDerWaalsContact NH1-CE1 3.3Å; R334-F362 PolarHBondContact NH1-O 3.33Å; R334-N363 PolarHBondContact NH1-OD1 3.34Å
335	E	87.8	Confident	85.8	Confident	73 Å²	73	65 Å²	65	34%	0.341	34%	0.335	S	S	.	.	H	α-helix	trans	-60.1	-52.5	176.6	-175.8	169.5	-171.9	0	0	110.9	E331 G332 Y337 I338 Y339 F352	E331-E335 PolarHBondContact O-N 3.49Å; G332-E335 PolarHBondContact O-N 2.78Å; E335-Y337 VanDerWaalsContact C-N 3.35Å; E335-Y337 PolarHBondContact O-N 3.34Å; E335-I338 PolarHBondContact O-N 2.83Å; E335-I338 VanDerWaalsContact O-N 3.16Å; E335-Y339 HydrophobicContact CG-CD2 3.75Å; E335-Y339 HydrophobicContact CG-CE2 3.66Å; E335-Y339 VanDerWaalsContact O-CD2 3.27Å; E335-Y339 WeakPolarHBondContact O-CD2 3.33Å; E335-Y339 PolarHBondContact O-N 2.8Å; E335-F352 HydrophobicContact CB-CD2 4.21Å; E335-F352 HydrophobicContact CB-CE2 3.52Å; E335-F352 HydrophobicContact CB-CZ 3.84Å; E335-F352 HydrophobicContact CG-CD2 4.16Å; E335-F352 HydrophobicContact CG-CE1 4.22Å; E335-F352 HydrophobicContact CG-CE2 3.71Å; E335-F352 HydrophobicContact CG-CZ 3.73Å
336	E	85.1	Confident	85.8	Confident	112 Å²	112	70.1 Å²	70.1	52%	0.523	35%	0.351	S	S	.	.	H	α-helix	trans	-56.9	-46.2	178.2	-176.5	172.4	-166.4	0	0	112.2	G332 I338 Y339 Q340	G332-E336 PolarHBondContact O-N 3.49Å; E336-I338 VanDerWaalsContact C-N 3.34Å; E336-I338 PolarHBondContact O-N 3.43Å; E336-Y339 PolarHBondContact O-N 3.03Å; E336-Q340 HydrophobicContact CG-CG 4.41Å; E336-Q340 WeakPolarHBondContact O-CG 3.29Å; E336-Q340 PolarHBondContact O-N 3.05Å; E336-Q340 PolarHBondContact OE1-NE2 3.35Å; E336-Q340 VanDerWaalsContact OE1-NE2 3.16Å
337	Y	85.9	Confident	86.1	Confident	14 Å²	14	73.6 Å²	73.6	6%	0.055	36%	0.363	C	S	.	.	H	α-helix	trans	-55.8	-47.6	176.1	-179	-89.8	0	0	0	112.1	F149 A333 E335 Y339 Q340 F341 C371 W372	F149-Y337 AromaticContact CD1-CD2 3.75Å; F149-Y337 HydrophobicContact CD1-CD2 3.75Å; F149-Y337 AromaticContact CD1-CE2 3.96Å; F149-Y337 HydrophobicContact CD1-CE2 3.96Å; F149-Y337 AromaticContact CD2-CD2 3.61Å; F149-Y337 HydrophobicContact CD2-CD2 3.61Å; F149-Y337 HydrophobicContact CD2-CE2 4.12Å; F149-Y337 AromaticContact CE1-CD2 3.6Å; F149-Y337 HydrophobicContact CE1-CD2 3.6Å; F149-Y337 HydrophobicContact CE1-CE2 4.23Å; F149-Y337 AromaticContact CE2-CD2 3.48Å; F149-Y337 HydrophobicContact CE2-CD2 3.48Å; F149-Y337 VanDerWaalsContact CE2-CD2 3.48Å; F149-Y337 HydrophobicContact CE2-CE2 4.41Å; F149-Y337 HydrophobicContact CE2-CG 4.23Å; F149-Y337 AromaticContact CG-CD2 3.76Å; F149-Y337 HydrophobicContact CG-CD2 3.76Å; F149-Y337 AromaticContact CG-CE2 3.9Å; F149-Y337 HydrophobicContact CG-CE2 3.9Å; F149-Y337 AromaticContact CZ-CD2 3.47Å; F149-Y337 HydrophobicContact CZ-CD2 3.47Å; F149-Y337 VanDerWaalsContact CZ-CD2 3.47Å; F149-Y337 HydrophobicContact CZ-CE2 4.46Å; F149-Y337 HydrophobicContact CZ-CG 4.16Å; A333-Y337 WeakPolarHBondContact O-CB 3.15Å; A333-Y337 PolarHBondContact O-N 3.04Å; E335-Y337 VanDerWaalsContact C-N 3.35Å; E335-Y337 PolarHBondContact O-N 3.34Å; Y337-Y339 VanDerWaalsContact C-N 3.34Å; Y337-Y339 PolarHBondContact O-N 3.39Å; Y337-Q340 PolarHBondContact O-N 3.05Å; Y337-F341 HydrophobicContact CE1-CB 4.38Å; Y337-F341 HydrophobicContact CE1-CD2 4.26Å; Y337-F341 VanDerWaalsContact O-CB 3.3Å; Y337-F341 WeakPolarHBondContact O-CB 3.47Å; Y337-F341 PolarHBondContact O-N 3.43Å; Y337-C371 HydrophobicContact CD1-CB 4.27Å; Y337-C371 WeakPolarHBondContact CD1-SG 3.47Å; Y337-C371 HydrophobicContact CE1-CB 4.23Å; Y337-W372 WeakPolarHBondContact OH-CA 3.47Å; Y337-W372 VanDerWaalsContact OH-CB 3.28Å; Y337-W372 WeakPolarHBondContact OH-CB 3.34Å
338	I	88.9	Confident	86.6	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64	-42.6	-179.3	-68.3	163	0	0	0	109.9	R334 E335 E336 Q340 F341 F342 A351 F352 L355	R334-I338 WeakPolarHBondContact O-CD1 3.24Å; R334-I338 VanDerWaalsContact O-CG1 3.27Å; R334-I338 WeakPolarHBondContact O-CG1 3.18Å; R334-I338 PolarHBondContact O-N 3.41Å; R334-I338 VanDerWaalsContact O-N 3.09Å; E335-I338 PolarHBondContact O-N 2.83Å; E335-I338 VanDerWaalsContact O-N 3.16Å; E336-I338 VanDerWaalsContact C-N 3.34Å; E336-I338 PolarHBondContact O-N 3.43Å; I338-Q340 PolarHBondContact O-N 3.44Å; I338-F341 PolarHBondContact O-N 3.17Å; I338-F342 HydrophobicContact CG2-CD2 4.06Å; I338-F342 HydrophobicContact CG2-CE2 4.16Å; I338-F342 WeakPolarHBondContact O-CD2 3.41Å; I338-F342 PolarHBondContact O-N 3.4Å; I338-A351 HydrophobicContact CG2-CB 4.34Å; I338-F352 HydrophobicContact CD1-CD2 3.86Å; I338-F352 HydrophobicContact CG2-CB 4.12Å; I338-L355 HydrophobicContact CD1-CD1 3.94Å
339	Y	87.9	Confident	86.9	Confident	79 Å²	79	72.1 Å²	72.1	31%	0.31	35%	0.345	S	S	.	.	H	α-helix	trans	-67.8	-32.7	177.8	-83.1	-76.9	0	0	0	114	E335 E336 Y337 A348	E335-Y339 HydrophobicContact CG-CD2 3.75Å; E335-Y339 HydrophobicContact CG-CE2 3.66Å; E335-Y339 VanDerWaalsContact O-CD2 3.27Å; E335-Y339 WeakPolarHBondContact O-CD2 3.33Å; E335-Y339 PolarHBondContact O-N 2.8Å; E336-Y339 PolarHBondContact O-N 3.03Å; Y337-Y339 VanDerWaalsContact C-N 3.34Å; Y337-Y339 PolarHBondContact O-N 3.39Å; Y339-A348 HydrophobicContact CD1-CB 3.52Å; Y339-A348 HydrophobicContact CE1-CB 3.84Å; Y339-A348 HydrophobicContact CG-CB 4.2Å
340	Q	86.4	Confident	87.3	Confident	109 Å²	109	75.5 Å²	75.5	51%	0.509	36%	0.359	S	S	.	.	H	α-helix	trans	-76	-32.9	175.4	-71.2	177.7	-1.2	0	0	112.4	E336 Y337 I338	E336-Q340 HydrophobicContact CG-CG 4.41Å; E336-Q340 WeakPolarHBondContact O-CG 3.29Å; E336-Q340 PolarHBondContact O-N 3.05Å; E336-Q340 PolarHBondContact OE1-NE2 3.35Å; E336-Q340 VanDerWaalsContact OE1-NE2 3.16Å; Y337-Q340 PolarHBondContact O-N 3.05Å; I338-Q340 PolarHBondContact O-N 3.44Å
341	F	87.9	Confident	87.7	Confident	40 Å²	40	72.3 Å²	72.3	18%	0.175	34%	0.337	C	S	.	.	H	α-helix	trans	-69.3	-39.4	-179	-177.1	-84	0	0	0	113.1	Y337 I338 W372 C375 K379	Y337-F341 HydrophobicContact CE1-CB 4.38Å; Y337-F341 HydrophobicContact CE1-CD2 4.26Å; Y337-F341 VanDerWaalsContact O-CB 3.3Å; Y337-F341 WeakPolarHBondContact O-CB 3.47Å; Y337-F341 PolarHBondContact O-N 3.43Å; I338-F341 PolarHBondContact O-N 3.17Å; F341-W372 AromaticContact CE2-CD1 3.75Å; F341-C375 HydrophobicContact CD1-CB 3.49Å; F341-C375 VanDerWaalsContact CD1-CB 3.49Å; F341-C375 HydrophobicContact CD2-CB 4.16Å; F341-C375 HydrophobicContact CE1-CB 3.5Å; F341-C375 HydrophobicContact CE2-CB 4.18Å; F341-C375 HydrophobicContact CG-CB 3.83Å; F341-C375 HydrophobicContact CZ-CB 3.87Å; F341-K379 HydrophobicContact CE1-CB 4.44Å; F341-K379 HydrophobicContact CE1-CD 4.27Å
342	F	87.7	Confident	88	Confident	7 Å²	7	68.9 Å²	68.9	3%	0.031	32%	0.321	C	S	.	.			trans	-93.1	117.2	-178.7	-73.4	-89.8	0	0	0	110.5	I338 D344 W347 A348 A351 C375 L378 K379 M382	I338-F342 HydrophobicContact CG2-CD2 4.06Å; I338-F342 HydrophobicContact CG2-CE2 4.16Å; I338-F342 WeakPolarHBondContact O-CD2 3.41Å; I338-F342 PolarHBondContact O-N 3.4Å; F342-D344 VanDerWaalsContact C-N 3.27Å; F342-D344 PolarHBondContact O-N 2.96Å; F342-W347 HydrophobicContact CD1-CB 3.92Å; F342-W347 HydrophobicContact CD1-CE3 4.41Å; F342-A348 HydrophobicContact CB-CB 3.79Å; F342-A348 HydrophobicContact CG-CB 4.43Å; F342-A351 HydrophobicContact CD2-CB 4.47Å; F342-A351 HydrophobicContact CE2-CB 3.77Å; F342-A351 HydrophobicContact CZ-CB 3.84Å; F342-C375 HydrophobicContact CE2-CB 3.86Å; F342-C375 HydrophobicContact CZ-CB 4.24Å; F342-C375 WeakPolarHBondContact CZ-O 3.41Å; F342-L378 HydrophobicContact CZ-CB 4.18Å; F342-K379 HydrophobicContact CE1-CB 3.77Å; F342-K379 HydrophobicContact CE1-CG 4.35Å; F342-K379 HydrophobicContact CZ-CB 4.35Å; F342-M382 HydrophobicContact CE1-SD 4.21Å
343	E	84.3	Confident	88.2	Confident	177 Å²	177	69 Å²	69	83%	0.827	31%	0.314	S	S	*	.	S	Bend	trans	-60.6	-35.8	175.8	-66.2	167.2	-142.4	0	0	112.4
344	D	87.8	Confident	88.5	Confident	72 Å²	72	68 Å²	68	39%	0.385	31%	0.305	S	S	.	.	S	Bend	trans	-89.1	116	175.3	-174.6	-18.2	0	0	0	111.3	F342 R346 W347 A348	F342-D344 VanDerWaalsContact C-N 3.27Å; F342-D344 PolarHBondContact O-N 2.96Å; D344-R346 PolarHBondContact O-N 3.44Å; D344-R346 WeakPolarHBondContact OD1-CB 3.32Å; D344-R346 PolarHBondContact OD1-N 3.03Å; D344-W347 HydrophobicContact CB-CB 4.11Å; D344-W347 HydrophobicContact CB-CG 4.06Å; D344-W347 WeakPolarHBondContact O-CB 3.33Å; D344-W347 PolarHBondContact O-N 2.87Å; D344-A348 PolarHBondContact O-N 2.89Å
345	K	89.3	Confident	88.7	Confident	168 Å²	168	67.3 Å²	67.3	73%	0.73	30%	0.303	S	S	*	.	H	α-helix	trans	-56.9	-31.5	177.2	-68.3	-172.4	177.7	-176.7	0	113.9	M349	K345-M349 WeakPolarHBondContact O-CB 3.46Å; K345-M349 PolarHBondContact O-N 2.82Å
346	R	89.1	Confident	88.6	Confident	206 Å²	206	68.5 Å²	68.5	78%	0.777	31%	0.307	S	S	*	.	H	α-helix	trans	-70.9	-39.4	176.9	-63.2	-176.8	-177.2	-176.3	2.6	111.1	D344 M349 K350	D344-R346 PolarHBondContact O-N 3.44Å; D344-R346 WeakPolarHBondContact OD1-CB 3.32Å; D344-R346 PolarHBondContact OD1-N 3.03Å; R346-M349 PolarHBondContact O-N 3.47Å; R346-K350 WeakPolarHBondContact O-CB 3.34Å; R346-K350 PolarHBondContact O-N 3.11Å
347	W	92.4	Very high	88.4	Confident	88 Å²	88	66.7 Å²	66.7	33%	0.333	31%	0.307	S	S	.	.	H	α-helix	trans	-67.4	-44.5	175.5	-74.4	24	0	0	0	110.5	F342 D344 M349 K350 A351 K379 M382 E383	F342-W347 HydrophobicContact CD1-CB 3.92Å; F342-W347 HydrophobicContact CD1-CE3 4.41Å; D344-W347 HydrophobicContact CB-CB 4.11Å; D344-W347 HydrophobicContact CB-CG 4.06Å; D344-W347 WeakPolarHBondContact O-CB 3.33Å; D344-W347 PolarHBondContact O-N 2.87Å; W347-M349 VanDerWaalsContact C-N 3.34Å; W347-M349 PolarHBondContact O-N 2.99Å; W347-K350 PolarHBondContact O-N 3.3Å; W347-A351 WeakPolarHBondContact O-CB 3.39Å; W347-A351 PolarHBondContact O-N 2.99Å; W347-K379 HydrophobicContact CZ3-CG 4.29Å; W347-M382 HydrophobicContact CB-CE 4.42Å; W347-M382 HydrophobicContact CB-SD 3.6Å; W347-M382 HydrophobicContact CD2-CB 4.06Å; W347-M382 HydrophobicContact CD2-CG 4.47Å; W347-M382 HydrophobicContact CD2-SD 3.62Å; W347-M382 HydrophobicContact CE3-CB 3.95Å; W347-M382 HydrophobicContact CE3-SD 3.82Å; W347-M382 HydrophobicContact CG-SD 3.55Å; W347-M382 VanDerWaalsContact CG-SD 3.55Å; W347-M382 HydrophobicContact CH2-CB 4.04Å; W347-M382 HydrophobicContact CZ2-CB 4.14Å; W347-M382 HydrophobicContact CZ3-CB 3.94Å; W347-M382 WeakPolarHBondContact O-CE 3.2Å; W347-E383 HydrophobicContact CH2-CG 3.83Å; W347-E383 HydrophobicContact CZ3-CG 3.93Å
348	A	91.3	Very high	88.4	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-53.4	-50.8	173	0	0	0	0	0	111.9	Y339 F342 D344 K350 A351 F352	Y339-A348 HydrophobicContact CD1-CB 3.52Å; Y339-A348 HydrophobicContact CE1-CB 3.84Å; Y339-A348 HydrophobicContact CG-CB 4.2Å; F342-A348 HydrophobicContact CB-CB 3.79Å; F342-A348 HydrophobicContact CG-CB 4.43Å; D344-A348 PolarHBondContact O-N 2.89Å; A348-K350 PolarHBondContact O-N 2.9Å; A348-A351 PolarHBondContact O-N 3.27Å; A348-F352 WeakPolarHBondContact O-CB 3.47Å; A348-F352 PolarHBondContact O-N 3.24Å
349	M	89.6	Confident	88.1	Confident	109 Å²	109	69.6 Å²	69.6	54%	0.537	32%	0.321	S	S	.	.	H	α-helix	trans	-62.7	-41.7	179.9	-172.3	-179.1	-68	0	0	111.9	K345 R346 W347 S353	K345-M349 WeakPolarHBondContact O-CB 3.46Å; K345-M349 PolarHBondContact O-N 2.82Å; R346-M349 PolarHBondContact O-N 3.47Å; W347-M349 VanDerWaalsContact C-N 3.34Å; W347-M349 PolarHBondContact O-N 2.99Å; M349-S353 WeakPolarHBondContact O-CB 3.49Å; M349-S353 PolarHBondContact O-N 3.09Å; M349-S353 PolarHBondContact O-OG 3.41Å
350	K	90.4	Very high	87.9	Confident	92 Å²	92	67.9 Å²	67.9	40%	0.4	32%	0.316	S	S	.	.	H	α-helix	trans	-67.2	-41.9	177.5	-171.1	175.5	-177.8	-177	0	112	R346 W347 A348 S353 S354 M382	R346-K350 WeakPolarHBondContact O-CB 3.34Å; R346-K350 PolarHBondContact O-N 3.11Å; W347-K350 PolarHBondContact O-N 3.3Å; A348-K350 PolarHBondContact O-N 2.9Å; K350-S353 WeakPolarHBondContact CA-OG 3.31Å; K350-S353 PolarHBondContact O-OG 2.8Å; K350-S353 VanDerWaalsContact O-OG 3.1Å; K350-S354 VanDerWaalsContact O-CB 3.26Å; K350-S354 WeakPolarHBondContact O-CB 3.49Å; K350-S354 PolarHBondContact O-N 3.48Å; K350-S354 PolarHBondContact O-OG 3.01Å; K350-M382 HydrophobicContact CB-CE 4.16Å; K350-M382 HydrophobicContact CG-CE 4.38Å
351	A	92.1	Very high	88	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.4	-49.5	176	0	0	0	0	0	111.3	I338 F342 W347 A348 S354 L355 L378 M382	I338-A351 HydrophobicContact CG2-CB 4.34Å; F342-A351 HydrophobicContact CD2-CB 4.47Å; F342-A351 HydrophobicContact CE2-CB 3.77Å; F342-A351 HydrophobicContact CZ-CB 3.84Å; W347-A351 WeakPolarHBondContact O-CB 3.39Å; W347-A351 PolarHBondContact O-N 2.99Å; A348-A351 PolarHBondContact O-N 3.27Å; A351-S354 PolarHBondContact O-N 2.87Å; A351-L355 WeakPolarHBondContact O-CB 3.44Å; A351-L355 WeakPolarHBondContact O-CG 3.17Å; A351-L355 PolarHBondContact O-N 3.26Å; A351-L378 HydrophobicContact CB-CD1 3.94Å; A351-M382 HydrophobicContact CB-CE 3.9Å
352	F	90.9	Very high	88.1	Confident	17 Å²	17	61.3 Å²	61.3	8%	0.075	29%	0.286	C	S	.	.	H	α-helix	trans	-60.4	-51.2	179.6	-179.6	-105	0	0	0	112.2	E335 I338 A348 S354 L355 K356 F362	E335-F352 HydrophobicContact CB-CD2 4.21Å; E335-F352 HydrophobicContact CB-CE2 3.52Å; E335-F352 HydrophobicContact CB-CZ 3.84Å; E335-F352 HydrophobicContact CG-CD2 4.16Å; E335-F352 HydrophobicContact CG-CE1 4.22Å; E335-F352 HydrophobicContact CG-CE2 3.71Å; E335-F352 HydrophobicContact CG-CZ 3.73Å; I338-F352 HydrophobicContact CD1-CD2 3.86Å; I338-F352 HydrophobicContact CG2-CB 4.12Å; A348-F352 WeakPolarHBondContact O-CB 3.47Å; A348-F352 PolarHBondContact O-N 3.24Å; F352-S354 VanDerWaalsContact C-N 3.34Å; F352-S354 PolarHBondContact O-N 2.97Å; F352-L355 PolarHBondContact O-N 2.89Å; F352-K356 HydrophobicContact CE1-CD 3.92Å; F352-K356 HydrophobicContact CZ-CD 4Å; F352-K356 VanDerWaalsContact O-CB 3.3Å; F352-K356 WeakPolarHBondContact O-CB 3.29Å; F352-K356 PolarHBondContact O-N 3.18Å; F352-F362 HydrophobicContact CD2-CE2 4.38Å; F352-F362 AromaticContact CE2-CE2 3.91Å; F352-F362 HydrophobicContact CE2-CE2 3.91Å; F352-F362 HydrophobicContact CE2-CZ 4.03Å
353	S	87.9	Confident	88.1	Confident	46 Å²	46	63.7 Å²	63.7	32%	0.322	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-41.1	178.9	52.1	0	0	0	0	112.7	M349 K350 K356 S357	M349-S353 WeakPolarHBondContact O-CB 3.49Å; M349-S353 PolarHBondContact O-N 3.09Å; M349-S353 PolarHBondContact O-OG 3.41Å; K350-S353 WeakPolarHBondContact CA-OG 3.31Å; K350-S353 PolarHBondContact O-OG 2.8Å; K350-S353 VanDerWaalsContact O-OG 3.1Å; S353-K356 PolarHBondContact O-N 3.17Å; S353-S357 PolarHBondContact O-N 3.01Å; S353-S357 VanDerWaalsContact O-N 3.08Å
354	S	89.5	Confident	88.2	Confident	5 Å²	5	56.3 Å²	56.3	4%	0.035	27%	0.265	C	S	.	.	H	α-helix	trans	-67	-40.7	176.9	-58.1	0	0	0	0	111.9	K350 A351 F352 S357 T389	K350-S354 VanDerWaalsContact O-CB 3.26Å; K350-S354 WeakPolarHBondContact O-CB 3.49Å; K350-S354 PolarHBondContact O-N 3.48Å; K350-S354 PolarHBondContact O-OG 3.01Å; A351-S354 PolarHBondContact O-N 2.87Å; F352-S354 VanDerWaalsContact C-N 3.34Å; F352-S354 PolarHBondContact O-N 2.97Å; S354-S357 PolarHBondContact O-N 3.45Å; S354-S357 PolarHBondContact O-OG 3.01Å; S354-T389 PolarHBondContact OG-OG1 3.33Å
355	L	90.4	Very high	88.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.3	-45.2	175.1	-73.5	170.1	0	0	0	111.7	I338 A351 F352 S357 N358 L361 F362 T374 L378	I338-L355 HydrophobicContact CD1-CD1 3.94Å; A351-L355 WeakPolarHBondContact O-CB 3.44Å; A351-L355 WeakPolarHBondContact O-CG 3.17Å; A351-L355 PolarHBondContact O-N 3.26Å; F352-L355 PolarHBondContact O-N 2.89Å; L355-S357 PolarHBondContact O-N 3.12Å; L355-N358 CarbonylContact O-C 3.48Å; L355-N358 PolarHBondContact O-N 3.29Å; L355-L361 HydrophobicContact CD2-CB 4.41Å; L355-F362 HydrophobicContact CB-CD2 4.21Å; L355-T374 HydrophobicContact CD1-CG2 3.86Å; L355-T374 HydrophobicContact CD2-CG2 3.48Å; L355-T374 VanDerWaalsContact CD2-CG2 3.48Å; L355-T374 HydrophobicContact CG-CG2 4.27Å; L355-L378 HydrophobicContact CD1-CD1 4.04Å; L355-L378 HydrophobicContact CD2-CD1 4.3Å; L355-L378 HydrophobicContact CG-CD1 4.03Å
356	K	86.4	Confident	88.2	Confident	98 Å²	98	47.9 Å²	47.9	43%	0.426	23%	0.226	S	C	.	.	H	α-helix	trans	-61.3	-29.6	179.4	-170.1	166.3	-171.1	156.5	0	112.7	E331 F352 S353 N358	E331-K356 VanDerWaalsContact OE1-CE 3.32Å; E331-K356 WeakPolarHBondContact OE1-CE 3.33Å; E331-K356 IonicContact OE1-NZ 3.7Å; E331-K356 PolarHBondContact OE1-NZ 3.03Å; F352-K356 HydrophobicContact CE1-CD 3.92Å; F352-K356 HydrophobicContact CZ-CD 4Å; F352-K356 VanDerWaalsContact O-CB 3.3Å; F352-K356 WeakPolarHBondContact O-CB 3.29Å; F352-K356 PolarHBondContact O-N 3.18Å; S353-K356 PolarHBondContact O-N 3.17Å; K356-N358 PolarHBondContact O-N 2.86Å
357	S	81.1	Confident	88	Confident	74 Å²	74	38.6 Å²	38.6	52%	0.517	19%	0.192	S	C	.	.	H	α-helix	trans	-66.1	-21.9	174.2	78.2	0	0	0	0	113.8	S353 S354 L355	S353-S357 PolarHBondContact O-N 3.01Å; S353-S357 VanDerWaalsContact O-N 3.08Å; S354-S357 PolarHBondContact O-N 3.45Å; S354-S357 PolarHBondContact O-OG 3.01Å; L355-S357 PolarHBondContact O-N 3.12Å
358	N	84	Confident	87.5	Confident	8 Å²	8	36.5 Å²	36.5	4%	0.043	19%	0.19	C	C	.	.	S	Bend	trans	-115.4	90.1	175.2	-174.3	-29.3	0	0	0	109.9	L355 K356 M360 L361 F362 C392 Q393	L355-N358 CarbonylContact O-C 3.48Å; L355-N358 PolarHBondContact O-N 3.29Å; K356-N358 PolarHBondContact O-N 2.86Å; N358-M360 PolarHBondContact O-N 3.43Å; N358-M360 VanDerWaalsContact O-N 3.14Å; N358-M360 PolarHBondContact OD1-N 3.25Å; N358-L361 HydrophobicContact CB-CB 4.15Å; N358-L361 HydrophobicContact CB-CD1 4.25Å; N358-L361 PolarHBondContact O-N 3.48Å; N358-L361 VanDerWaalsContact O-N 3.1Å; N358-L361 PolarHBondContact OD1-N 3.41Å; N358-L361 VanDerWaalsContact OD1-N 3.16Å; N358-F362 PolarHBondContact O-N 2.99Å; N358-C392 VanDerWaalsContact CB-O 3.28Å; N358-C392 WeakPolarHBondContact CB-O 3.49Å; N358-C392 PolarHBondContact ND2-O 3.21Å; N358-Q393 PolarHBondContact ND2-O 3.28Å; N358-Q393 VanDerWaalsContact ND2-O 3.17Å
359	E	83.6	Confident	87	Confident	66 Å²	66	38.5 Å²	38.5	31%	0.308	20%	0.2	S	C	.	.	H	α-helix	trans	-53.5	-36.2	-176.9	-173.4	169.1	-161	0	0	113.2	F362 N363	E359-F362 PolarHBondContact O-N 3.29Å; E359-N363 VanDerWaalsContact O-CB 3.25Å; E359-N363 WeakPolarHBondContact O-CB 3.44Å; E359-N363 PolarHBondContact O-N 2.77Å; E359-N363 PolarHBondContact O-ND2 3.17Å
360	M	84	Confident	86.9	Confident	43 Å²	43	33.3 Å²	33.3	21%	0.212	18%	0.175	C	C	.	.	H	α-helix	trans	-64.6	-49.1	177.9	-173.7	176.9	-174.4	0	0	111.7	N358 N363 M364 T395	N358-M360 PolarHBondContact O-N 3.43Å; N358-M360 VanDerWaalsContact O-N 3.14Å; N358-M360 PolarHBondContact OD1-N 3.25Å; M360-N363 PolarHBondContact O-N 3.25Å; M360-M364 HydrophobicContact CE-CE 3.8Å; M360-M364 HydrophobicContact CG-CE 4.18Å; M360-M364 WeakPolarHBondContact O-CG 3.38Å; M360-M364 PolarHBondContact O-N 3.21Å; M360-T395 HydrophobicContact CB-CG2 4.44Å; M360-T395 HydrophobicContact CE-CG2 4.15Å; M360-T395 HydrophobicContact CG-CG2 3.86Å; M360-T395 HydrophobicContact SD-CG2 3.68Å
361	L	88.5	Confident	86.8	Confident	2 Å²	2	29 Å²	29	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-63.3	-43.3	174.9	-83.7	178.4	0	0	0	111.6	L355 N358 N363 M364 C365 C392 T395 L398	L355-L361 HydrophobicContact CD2-CB 4.41Å; N358-L361 HydrophobicContact CB-CB 4.15Å; N358-L361 HydrophobicContact CB-CD1 4.25Å; N358-L361 PolarHBondContact O-N 3.48Å; N358-L361 VanDerWaalsContact O-N 3.1Å; N358-L361 PolarHBondContact OD1-N 3.41Å; N358-L361 VanDerWaalsContact OD1-N 3.16Å; L361-N363 VanDerWaalsContact C-N 3.27Å; L361-N363 PolarHBondContact O-N 3.35Å; L361-M364 HydrophobicContact CD2-SD 4.22Å; L361-M364 WeakPolarHBondContact O-CB 3.31Å; L361-M364 PolarHBondContact O-N 3.15Å; L361-M364 VanDerWaalsContact O-N 3.15Å; L361-C365 PolarHBondContact O-N 3.36Å; L361-C365 VanDerWaalsContact O-N 3.14Å; L361-C365 PolarHBondContact O-SG 2.93Å; L361-C392 HydrophobicContact CD1-CB 4.3Å; L361-C392 VanDerWaalsContact CD1-O 3.31Å; L361-C392 WeakPolarHBondContact CD1-O 3.37Å; L361-T395 HydrophobicContact CD2-CG2 3.87Å; L361-T395 HydrophobicContact CG-CG2 3.95Å; L361-L398 HydrophobicContact CD1-CB 4.27Å; L361-L398 HydrophobicContact CD1-CD1 4.47Å; L361-L398 HydrophobicContact CD2-CB 4.26Å; L361-L398 HydrophobicContact CD2-CD2 4.03Å
362	F	89.1	Confident	86.6	Confident	10 Å²	10	32.3 Å²	32.3	4%	0.044	17%	0.169	C	C	.	.	H	α-helix	trans	-61.1	-39	178.4	-168.8	-120.2	0	0	0	111.8	E331 R334 F352 L355 N358 E359 C365	E331-F362 HydrophobicContact CG-CE1 3.82Å; E331-F362 HydrophobicContact CG-CZ 3.9Å; R334-F362 HydrophobicContact CB-CE2 4.2Å; R334-F362 HydrophobicContact CB-CZ 4.19Å; R334-F362 VanDerWaalsContact NH1-C 3.32Å; R334-F362 VanDerWaalsContact NH1-CE1 3.3Å; R334-F362 PolarHBondContact NH1-O 3.33Å; F352-F362 HydrophobicContact CD2-CE2 4.38Å; F352-F362 AromaticContact CE2-CE2 3.91Å; F352-F362 HydrophobicContact CE2-CE2 3.91Å; F352-F362 HydrophobicContact CE2-CZ 4.03Å; L355-F362 HydrophobicContact CB-CD2 4.21Å; N358-F362 PolarHBondContact O-N 2.99Å; E359-F362 PolarHBondContact O-N 3.29Å; F362-C365 WeakPolarHBondContact O-CB 3.5Å; F362-C365 PolarHBondContact O-N 3.42Å
363	N	87.5	Confident	86.3	Confident	57 Å²	57	32 Å²	32	31%	0.305	17%	0.169	S	C	.	.	H	α-helix	trans	-69.3	-34.6	175.2	-72.4	-19.7	0	0	0	112.6	R334 E359 M360 L361 C365 Q366	R334-N363 PolarHBondContact NH1-OD1 3.34Å; E359-N363 VanDerWaalsContact O-CB 3.25Å; E359-N363 WeakPolarHBondContact O-CB 3.44Å; E359-N363 PolarHBondContact O-N 2.77Å; E359-N363 PolarHBondContact O-ND2 3.17Å; M360-N363 PolarHBondContact O-N 3.25Å; L361-N363 VanDerWaalsContact C-N 3.27Å; L361-N363 PolarHBondContact O-N 3.35Å; N363-C365 PolarHBondContact O-N 3.08Å; N363-Q366 VanDerWaalsContact O-CB 3.22Å; N363-Q366 WeakPolarHBondContact O-CB 3.45Å; N363-Q366 WeakPolarHBondContact O-CG 3.41Å; N363-Q366 PolarHBondContact O-N 2.9Å; N363-Q366 PolarHBondContact OD1-NE2 3.11Å
364	M	88.1	Confident	86.5	Confident	22 Å²	22	29.9 Å²	29.9	11%	0.108	15%	0.154	C	C	.	.	H	α-helix	trans	-60.3	-34.7	170	-67.9	178.1	-179.7	0	0	112.1	M360 L361 Q366 V367 V370 T395 F399 Q526	M360-M364 HydrophobicContact CE-CE 3.8Å; M360-M364 HydrophobicContact CG-CE 4.18Å; M360-M364 WeakPolarHBondContact O-CG 3.38Å; M360-M364 PolarHBondContact O-N 3.21Å; L361-M364 HydrophobicContact CD2-SD 4.22Å; L361-M364 WeakPolarHBondContact O-CB 3.31Å; L361-M364 PolarHBondContact O-N 3.15Å; L361-M364 VanDerWaalsContact O-N 3.15Å; M364-Q366 PolarHBondContact O-N 2.93Å; M364-Q366 VanDerWaalsContact O-N 3.14Å; M364-V367 PolarHBondContact O-N 3.35Å; M364-V370 HydrophobicContact CB-CG1 3.99Å; M364-V370 WeakPolarHBondContact O-CB 2.98Å; M364-T395 HydrophobicContact CE-CG2 3.65Å; M364-T395 HydrophobicContact SD-CG2 4.13Å; M364-F399 HydrophobicContact SD-CE2 4.23Å; M364-Q526 HydrophobicContact CE-CG 4.32Å
365	C	89.2	Confident	86.6	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	0.1	174.5	-64.7	0	0	0	0	114.4	M329 L361 F362 N363 V367 C371	M329-C365 WeakPolarHBondContact CE-O 2.85Å; L361-C365 PolarHBondContact O-N 3.36Å; L361-C365 VanDerWaalsContact O-N 3.14Å; L361-C365 PolarHBondContact O-SG 2.93Å; F362-C365 WeakPolarHBondContact O-CB 3.5Å; F362-C365 PolarHBondContact O-N 3.42Å; N363-C365 PolarHBondContact O-N 3.08Å; C365-V367 PolarHBondContact O-N 3.42Å; C365-C371 HydrophobicContact CB-CB 3.96Å
366	Q	87.2	Confident	86.5	Confident	62 Å²	62	31 Å²	31	29%	0.29	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28	165.5	-68.9	171.9	4.9	0	0	111.2	M329 N363 M364 P368	M329-Q366 PolarHBondContact N-O 3.4Å; N363-Q366 VanDerWaalsContact O-CB 3.22Å; N363-Q366 WeakPolarHBondContact O-CB 3.45Å; N363-Q366 WeakPolarHBondContact O-CG 3.41Å; N363-Q366 PolarHBondContact O-N 2.9Å; N363-Q366 PolarHBondContact OD1-NE2 3.11Å; M364-Q366 PolarHBondContact O-N 2.93Å; M364-Q366 VanDerWaalsContact O-N 3.14Å; Q366-P368 WeakPolarHBondContact O-CD 3.49Å
367	V	84.6	Confident	86.7	Confident	11 Å²	11	26.4 Å²	26.4	7%	0.067	14%	0.141	C	C	.	.	S	Bend	trans	-81.5	117.9	172.6	178.9	0	0	0	0	109.1	A183 M364 C365 L369 V370 C371	A183-V367 HydrophobicContact CB-CG2 4.05Å; M364-V367 PolarHBondContact O-N 3.35Å; C365-V367 PolarHBondContact O-N 3.42Å; V367-L369 VanDerWaalsContact C-N 3.27Å; V367-L369 HydrophobicContact CG1-CB 4.4Å; V367-L369 PolarHBondContact O-N 3.3Å; V367-L369 VanDerWaalsContact O-N 3.16Å; V367-V370 HydrophobicContact CB-CB 4.18Å; V367-V370 HydrophobicContact CB-CG2 3.82Å; V367-V370 HydrophobicContact CG1-CG2 3.92Å; V367-V370 PolarHBondContact O-N 2.99Å; V367-C371 PolarHBondContact O-N 3.4Å
368	P	82.5	Confident	87.2	Confident	45 Å²	45	22.9 Å²	22.9	29%	0.292	12%	0.116	S	C	.	.	H	α-helix	trans	-54.5	-39.5	-176.3	-26.8	32.9	0	0	0	114.2	M329 Q366 V370 C371 W372	M329-P368 HydrophobicContact CE-CB 4.24Å; M329-P368 HydrophobicContact CE-CG 4.25Å; M329-P368 HydrophobicContact CG-CG 3.92Å; M329-P368 HydrophobicContact SD-CB 4.14Å; M329-P368 HydrophobicContact SD-CG 3.94Å; Q366-P368 WeakPolarHBondContact O-CD 3.49Å; P368-V370 VanDerWaalsContact C-N 3.34Å; P368-V370 PolarHBondContact O-N 3.35Å; P368-C371 WeakPolarHBondContact O-CB 3.25Å; P368-C371 PolarHBondContact O-N 3.01Å; P368-W372 PolarHBondContact O-N 3.4Å
369	L	80.1	Confident	87.6	Confident	41 Å²	41	25.4 Å²	25.4	22%	0.215	13%	0.127	C	C	.	.	H	α-helix	trans	-66.4	-35.4	179.1	-175.5	61.1	0	0	0	112.7	V367 W372 A373 T478	V367-L369 VanDerWaalsContact C-N 3.27Å; V367-L369 HydrophobicContact CG1-CB 4.4Å; V367-L369 PolarHBondContact O-N 3.3Å; V367-L369 VanDerWaalsContact O-N 3.16Å; L369-W372 HydrophobicContact CD1-CE3 4.26Å; L369-A373 WeakPolarHBondContact O-CB 3.42Å; L369-A373 PolarHBondContact O-N 3.43Å; L369-A373 VanDerWaalsContact O-N 3.08Å; L369-T478 WeakPolarHBondContact CD2-O 3.43Å
370	V	86.8	Confident	87.8	Confident	1 Å²	1	24 Å²	24	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-71.6	-41.2	174.6	-177.4	0	0	0	0	110.5	M364 V367 P368 W372 A373 T374 H479	M364-V370 HydrophobicContact CB-CG1 3.99Å; M364-V370 WeakPolarHBondContact O-CB 2.98Å; V367-V370 HydrophobicContact CB-CB 4.18Å; V367-V370 HydrophobicContact CB-CG2 3.82Å; V367-V370 HydrophobicContact CG1-CG2 3.92Å; V367-V370 PolarHBondContact O-N 2.99Å; P368-V370 VanDerWaalsContact C-N 3.34Å; P368-V370 PolarHBondContact O-N 3.35Å; V370-W372 VanDerWaalsContact C-N 3.32Å; V370-W372 PolarHBondContact O-N 3.28Å; V370-A373 PolarHBondContact O-N 2.9Å; V370-T374 VanDerWaalsContact O-CB 3.25Å; V370-T374 WeakPolarHBondContact O-CB 3.35Å; V370-T374 PolarHBondContact O-N 3.12Å; V370-T374 PolarHBondContact O-OG1 3.47Å; V370-H479 WeakPolarHBondContact CG2-CE1 3.32Å; V370-H479 WeakPolarHBondContact CG2-NE2 3.36Å
371	C	89.1	Confident	88	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-58.2	-46.4	176.2	-162.8	0	0	0	0	110.9	M329 Y337 C365 V367 P368 T374 C375	M329-C371 HydrophobicContact CE-CB 3.53Å; Y337-C371 HydrophobicContact CD1-CB 4.27Å; Y337-C371 WeakPolarHBondContact CD1-SG 3.47Å; Y337-C371 HydrophobicContact CE1-CB 4.23Å; C365-C371 HydrophobicContact CB-CB 3.96Å; V367-C371 PolarHBondContact O-N 3.4Å; P368-C371 WeakPolarHBondContact O-CB 3.25Å; P368-C371 PolarHBondContact O-N 3.01Å; C371-T374 WeakPolarHBondContact O-CB 3.3Å; C371-T374 PolarHBondContact O-N 3Å; C371-C375 WeakPolarHBondContact O-CB 3.2Å; C371-C375 PolarHBondContact O-N 3.33Å; C371-C375 PolarHBondContact O-SG 3.46Å
372	W	87.1	Confident	88.1	Confident	71 Å²	71	24.2 Å²	24.2	27%	0.269	12%	0.121	S	C	.	.	H	α-helix	trans	-56.7	-54.3	173.3	176	81.2	0	0	0	112.2	Y337 F341 P368 L369 V370 T374 C375 T376	Y337-W372 WeakPolarHBondContact OH-CA 3.47Å; Y337-W372 VanDerWaalsContact OH-CB 3.28Å; Y337-W372 WeakPolarHBondContact OH-CB 3.34Å; F341-W372 AromaticContact CE2-CD1 3.75Å; P368-W372 PolarHBondContact O-N 3.4Å; L369-W372 HydrophobicContact CD1-CE3 4.26Å; V370-W372 VanDerWaalsContact C-N 3.32Å; V370-W372 PolarHBondContact O-N 3.28Å; W372-T374 PolarHBondContact O-N 3.33Å; W372-C375 PolarHBondContact O-N 3.22Å; W372-C375 VanDerWaalsContact O-N 3.11Å; W372-T376 PolarHBondContact O-N 3.36Å; W372-T376 PolarHBondContact O-OG1 3.04Å; W372-T376 VanDerWaalsContact O-OG1 3.1Å
373	A	86.3	Confident	88.1	Confident	10 Å²	10	29.3 Å²	29.3	8%	0.083	15%	0.145	C	C	.	.	H	α-helix	trans	-59.7	-38.8	-178.2	0	0	0	0	0	112.1	L369 V370 C377 Y402	L369-A373 WeakPolarHBondContact O-CB 3.42Å; L369-A373 PolarHBondContact O-N 3.43Å; L369-A373 VanDerWaalsContact O-N 3.08Å; V370-A373 PolarHBondContact O-N 2.9Å; A373-C377 WeakPolarHBondContact O-CB 3.38Å; A373-C377 PolarHBondContact O-N 3.43Å; A373-Y402 HydrophobicContact CB-CD2 4.31Å; A373-Y402 HydrophobicContact CB-CE2 3.79Å
374	T	90.9	Very high	88	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-50.9	174.6	-59.3	0	0	0	0	110.6	L355 V370 C371 W372 T376 C377 L378 L398	L355-T374 HydrophobicContact CD1-CG2 3.86Å; L355-T374 HydrophobicContact CD2-CG2 3.48Å; L355-T374 VanDerWaalsContact CD2-CG2 3.48Å; L355-T374 HydrophobicContact CG-CG2 4.27Å; V370-T374 VanDerWaalsContact O-CB 3.25Å; V370-T374 WeakPolarHBondContact O-CB 3.35Å; V370-T374 PolarHBondContact O-N 3.12Å; V370-T374 PolarHBondContact O-OG1 3.47Å; C371-T374 WeakPolarHBondContact O-CB 3.3Å; C371-T374 PolarHBondContact O-N 3Å; W372-T374 PolarHBondContact O-N 3.33Å; T374-T376 PolarHBondContact O-N 2.83Å; T374-C377 WeakPolarHBondContact O-CB 3.24Å; T374-C377 PolarHBondContact O-N 3.16Å; T374-L378 HydrophobicContact CG2-CD1 4.26Å; T374-L378 HydrophobicContact CG2-CG 4.47Å; T374-L378 VanDerWaalsContact O-CG 3.29Å; T374-L378 WeakPolarHBondContact O-CG 3.44Å; T374-L378 PolarHBondContact O-N 3.43Å; T374-L398 HydrophobicContact CG2-CD1 3.8Å; T374-L398 HydrophobicContact CG2-CD2 4Å
375	C	91.6	Very high	87.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-42.7	179.5	-65.4	0	0	0	0	112.2	F341 F342 C371 W372 C377 L378 K379	F341-C375 HydrophobicContact CD1-CB 3.49Å; F341-C375 VanDerWaalsContact CD1-CB 3.49Å; F341-C375 HydrophobicContact CD2-CB 4.16Å; F341-C375 HydrophobicContact CE1-CB 3.5Å; F341-C375 HydrophobicContact CE2-CB 4.18Å; F341-C375 HydrophobicContact CG-CB 3.83Å; F341-C375 HydrophobicContact CZ-CB 3.87Å; F342-C375 HydrophobicContact CE2-CB 3.86Å; F342-C375 HydrophobicContact CZ-CB 4.24Å; F342-C375 WeakPolarHBondContact CZ-O 3.41Å; C371-C375 WeakPolarHBondContact O-CB 3.2Å; C371-C375 PolarHBondContact O-N 3.33Å; C371-C375 PolarHBondContact O-SG 3.46Å; W372-C375 PolarHBondContact O-N 3.22Å; W372-C375 VanDerWaalsContact O-N 3.11Å; C375-C377 PolarHBondContact O-N 3.45Å; C375-L378 PolarHBondContact O-N 2.95Å; C375-K379 WeakPolarHBondContact O-CB 3.4Å; C375-K379 PolarHBondContact O-N 3.49Å
376	T	88.7	Confident	87.4	Confident	29 Å²	29	35.7 Å²	35.7	18%	0.178	20%	0.197	C	C	.	.	H	α-helix	trans	-59.6	-46.3	174.1	-57.9	0	0	0	0	111.6	W372 T374 L378 K379 Q380	W372-T376 PolarHBondContact O-N 3.36Å; W372-T376 PolarHBondContact O-OG1 3.04Å; W372-T376 VanDerWaalsContact O-OG1 3.1Å; T374-T376 PolarHBondContact O-N 2.83Å; T376-L378 PolarHBondContact O-N 3.43Å; T376-K379 PolarHBondContact O-N 3.2Å; T376-Q380 WeakPolarHBondContact O-CG 3.2Å; T376-Q380 PolarHBondContact O-N 2.86Å; T376-Q380 VanDerWaalsContact O-N 3.1Å
377	C	90.8	Very high	87.4	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.2	-48	176	178.5	0	0	0	0	111.2	A373 T374 C375 Q380 Q381 Y402	A373-C377 WeakPolarHBondContact O-CB 3.38Å; A373-C377 PolarHBondContact O-N 3.43Å; T374-C377 WeakPolarHBondContact O-CB 3.24Å; T374-C377 PolarHBondContact O-N 3.16Å; C375-C377 PolarHBondContact O-N 3.45Å; C377-Q380 PolarHBondContact O-N 3.48Å; C377-Q381 WeakPolarHBondContact O-CG 3.39Å; C377-Q381 PolarHBondContact O-N 2.87Å; C377-Y402 HydrophobicContact CB-CD2 4.12Å; C377-Y402 PolarHBondContact SG-N 3.4Å; C377-Y402 VanDerWaalsContact SG-N 3.37Å
378	L	92.4	Very high	87.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.6	-40.6	-178.5	-67.4	-172.9	0	0	0	112.1	F342 A351 L355 T374 C375 T376 Q380 Q381 M382 V388 T391 L398	F342-L378 HydrophobicContact CZ-CB 4.18Å; A351-L378 HydrophobicContact CB-CD1 3.94Å; L355-L378 HydrophobicContact CD1-CD1 4.04Å; L355-L378 HydrophobicContact CD2-CD1 4.3Å; L355-L378 HydrophobicContact CG-CD1 4.03Å; T374-L378 HydrophobicContact CG2-CD1 4.26Å; T374-L378 HydrophobicContact CG2-CG 4.47Å; T374-L378 VanDerWaalsContact O-CG 3.29Å; T374-L378 WeakPolarHBondContact O-CG 3.44Å; T374-L378 PolarHBondContact O-N 3.43Å; C375-L378 PolarHBondContact O-N 2.95Å; T376-L378 PolarHBondContact O-N 3.43Å; L378-Q380 VanDerWaalsContact C-N 3.35Å; L378-Q380 PolarHBondContact O-N 3.22Å; L378-Q381 PolarHBondContact O-N 3.44Å; L378-M382 VanDerWaalsContact O-CG 3.31Å; L378-M382 WeakPolarHBondContact O-CG 3.41Å; L378-M382 PolarHBondContact O-N 2.65Å; L378-V388 HydrophobicContact CD1-CG1 4.09Å; L378-V388 HydrophobicContact CD2-CG1 3.8Å; L378-V388 HydrophobicContact CG-CG1 4.38Å; L378-T391 HydrophobicContact CD2-CG2 3.99Å; L378-L398 HydrophobicContact CD2-CD1 3.89Å; L378-L398 HydrophobicContact CG-CD1 4.31Å
379	K	90.9	Very high	87.8	Confident	61 Å²	61	36.8 Å²	36.8	27%	0.265	21%	0.205	S	C	.	.	H	α-helix	trans	-56.3	-49.2	173.8	-174.5	175.7	179.3	173.9	0	111	F341 F342 W347 C375 T376 Q381 M382 E383	F341-K379 HydrophobicContact CE1-CB 4.44Å; F341-K379 HydrophobicContact CE1-CD 4.27Å; F342-K379 HydrophobicContact CE1-CB 3.77Å; F342-K379 HydrophobicContact CE1-CG 4.35Å; F342-K379 HydrophobicContact CZ-CB 4.35Å; W347-K379 HydrophobicContact CZ3-CG 4.29Å; C375-K379 WeakPolarHBondContact O-CB 3.4Å; C375-K379 PolarHBondContact O-N 3.49Å; T376-K379 PolarHBondContact O-N 3.2Å; K379-Q381 VanDerWaalsContact C-N 3.34Å; K379-Q381 PolarHBondContact O-N 3.24Å; K379-M382 PolarHBondContact O-N 2.86Å; K379-E383 WeakPolarHBondContact CE-OE1 3.3Å; K379-E383 WeakPolarHBondContact O-CG 3.16Å; K379-E383 PolarHBondContact O-N 3.38Å
380	Q	87.5	Confident	88.2	Confident	38 Å²	38	39.8 Å²	39.8	18%	0.178	22%	0.221	C	C	.	.	H	α-helix	trans	-65.8	-33.6	178.4	-70.7	171.3	-19.6	0	0	113.4	T376 C377 L378 K384 S405	T376-Q380 WeakPolarHBondContact O-CG 3.2Å; T376-Q380 PolarHBondContact O-N 2.86Å; T376-Q380 VanDerWaalsContact O-N 3.1Å; C377-Q380 PolarHBondContact O-N 3.48Å; L378-Q380 VanDerWaalsContact C-N 3.35Å; L378-Q380 PolarHBondContact O-N 3.22Å; Q380-K384 VanDerWaalsContact O-CG 3.29Å; Q380-K384 WeakPolarHBondContact O-CG 3.49Å; Q380-K384 PolarHBondContact O-N 2.77Å; Q380-S405 PolarHBondContact OE1-OG 2.59Å
381	Q	89.3	Confident	88.3	Confident	28 Å²	28	40.2 Å²	40.2	13%	0.131	22%	0.223	C	C	.	.	H	α-helix	trans	-67.5	-41	173.6	-71.2	-58.5	-38.9	0	0	111.4	C377 L378 K379 K384 G385 G386 T391	C377-Q381 WeakPolarHBondContact O-CG 3.39Å; C377-Q381 PolarHBondContact O-N 2.87Å; L378-Q381 PolarHBondContact O-N 3.44Å; K379-Q381 VanDerWaalsContact C-N 3.34Å; K379-Q381 PolarHBondContact O-N 3.24Å; Q381-K384 PolarHBondContact O-N 3.04Å; Q381-G385 PolarHBondContact O-N 2.97Å; Q381-G386 WeakPolarHBondContact O-CA 3.42Å; Q381-G386 PolarHBondContact O-N 3.47Å; Q381-T391 HydrophobicContact CG-CG2 4.35Å
382	M	90.3	Very high	88.4	Confident	21 Å²	21	40.2 Å²	40.2	10%	0.103	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-43.3	175.7	-68.2	177.2	-175	0	0	111.9	F342 W347 K350 A351 L378 K379 K384 G385 V388	F342-M382 HydrophobicContact CE1-SD 4.21Å; W347-M382 HydrophobicContact CB-CE 4.42Å; W347-M382 HydrophobicContact CB-SD 3.6Å; W347-M382 HydrophobicContact CD2-CB 4.06Å; W347-M382 HydrophobicContact CD2-CG 4.47Å; W347-M382 HydrophobicContact CD2-SD 3.62Å; W347-M382 HydrophobicContact CE3-CB 3.95Å; W347-M382 HydrophobicContact CE3-SD 3.82Å; W347-M382 HydrophobicContact CG-SD 3.55Å; W347-M382 VanDerWaalsContact CG-SD 3.55Å; W347-M382 HydrophobicContact CH2-CB 4.04Å; W347-M382 HydrophobicContact CZ2-CB 4.14Å; W347-M382 HydrophobicContact CZ3-CB 3.94Å; W347-M382 WeakPolarHBondContact O-CE 3.2Å; K350-M382 HydrophobicContact CB-CE 4.16Å; K350-M382 HydrophobicContact CG-CE 4.38Å; A351-M382 HydrophobicContact CB-CE 3.9Å; L378-M382 VanDerWaalsContact O-CG 3.31Å; L378-M382 WeakPolarHBondContact O-CG 3.41Å; L378-M382 PolarHBondContact O-N 2.65Å; K379-M382 PolarHBondContact O-N 2.86Å; M382-K384 PolarHBondContact O-N 3.24Å; M382-G385 PolarHBondContact O-N 3.06Å; M382-V388 HydrophobicContact CE-CB 4.24Å; M382-V388 HydrophobicContact CE-CG1 4.06Å; M382-V388 HydrophobicContact CE-CG2 3.56Å; M382-V388 HydrophobicContact CG-CG2 3.45Å; M382-V388 VanDerWaalsContact CG-CG2 3.45Å; M382-V388 HydrophobicContact SD-CG2 4.33Å
383	E	89.3	Confident	88.6	Confident	116 Å²	116	40 Å²	40	54%	0.542	23%	0.225	S	C	.	.	H	α-helix	trans	-59.5	-33.3	175.8	-72.9	166.9	177	0	0	112.5	W347 K379 G385	W347-E383 HydrophobicContact CH2-CG 3.83Å; W347-E383 HydrophobicContact CZ3-CG 3.93Å; K379-E383 WeakPolarHBondContact CE-OE1 3.3Å; K379-E383 WeakPolarHBondContact O-CG 3.16Å; K379-E383 PolarHBondContact O-N 3.38Å; E383-G385 VanDerWaalsContact C-N 3.29Å; E383-G385 PolarHBondContact O-N 3.47Å
384	K	85.4	Confident	88.9	Confident	116 Å²	116	39.6 Å²	39.6	50%	0.504	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	0.8	175.7	-68.4	170.6	-173.9	169.2	0	113.7	Q380 Q381 M382 G386 T408	Q380-K384 VanDerWaalsContact O-CG 3.29Å; Q380-K384 WeakPolarHBondContact O-CG 3.49Å; Q380-K384 PolarHBondContact O-N 2.77Å; Q381-K384 PolarHBondContact O-N 3.04Å; M382-K384 PolarHBondContact O-N 3.24Å; K384-G386 VanDerWaalsContact C-N 3.3Å; K384-G386 PolarHBondContact O-N 3.5Å; K384-T408 PolarHBondContact NZ-OG1 3.08Å
385	G	83.4	Confident	89	Confident	71 Å²	71	39.5 Å²	39.5	73%	0.732	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	19	-175.8	0	0	0	0	0	114.5	Q381 M382 E383	Q381-G385 PolarHBondContact O-N 2.97Å; M382-G385 PolarHBondContact O-N 3.06Å; E383-G385 VanDerWaalsContact C-N 3.29Å; E383-G385 PolarHBondContact O-N 3.47Å
386	G	82.1	Confident	89.2	Confident	26 Å²	26	39.5 Å²	39.5	27%	0.268	22%	0.221	S	C	.	.			trans	-78.2	161.3	-179.8	0	0	0	0	0	114.1	Q381 K384	Q381-G386 WeakPolarHBondContact O-CA 3.42Å; Q381-G386 PolarHBondContact O-N 3.47Å; K384-G386 VanDerWaalsContact C-N 3.3Å; K384-G386 PolarHBondContact O-N 3.5Å
387	D	85.7	Confident	89.5	Confident	70 Å²	70	38.7 Å²	38.7	37%	0.374	22%	0.217	S	C	.	.			trans	-87.6	111.5	177	-168.8	-0.6	0	0	0	112.2	T389 L390 T391	D387-T389 VanDerWaalsContact C-N 3.31Å; D387-T389 PolarHBondContact O-N 2.82Å; D387-T389 WeakPolarHBondContact OD1-CB 3.5Å; D387-T389 PolarHBondContact OD1-N 3.25Å; D387-L390 HydrophobicContact CB-CB 4.27Å; D387-L390 HydrophobicContact CB-CD1 4.06Å; D387-L390 HydrophobicContact CB-CG 4.22Å; D387-T391 PolarHBondContact O-N 3.47Å; D387-T391 VanDerWaalsContact O-N 3.11Å; D387-T391 PolarHBondContact O-OG1 2.66Å
388	V	89.9	Confident	89.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-68.5	-30.1	178.9	171.5	0	0	0	0	111.8	L378 M382 T391 C392	L378-V388 HydrophobicContact CD1-CG1 4.09Å; L378-V388 HydrophobicContact CD2-CG1 3.8Å; L378-V388 HydrophobicContact CG-CG1 4.38Å; M382-V388 HydrophobicContact CE-CB 4.24Å; M382-V388 HydrophobicContact CE-CG1 4.06Å; M382-V388 HydrophobicContact CE-CG2 3.56Å; M382-V388 HydrophobicContact CG-CG2 3.45Å; M382-V388 VanDerWaalsContact CG-CG2 3.45Å; M382-V388 HydrophobicContact SD-CG2 4.33Å; V388-T391 PolarHBondContact O-N 2.81Å; V388-C392 WeakPolarHBondContact O-CB 3.2Å; V388-C392 PolarHBondContact O-N 2.83Å; V388-C392 PolarHBondContact O-SG 3.45Å
389	T	87.4	Confident	89.7	Confident	72 Å²	72	39 Å²	39	44%	0.442	22%	0.219	S	C	.	.	H	α-helix	trans	-68.7	-42.9	178.9	-54.9	0	0	0	0	110.8	S354 D387 T391 C392 Q393	S354-T389 PolarHBondContact OG-OG1 3.33Å; D387-T389 VanDerWaalsContact C-N 3.31Å; D387-T389 PolarHBondContact O-N 2.82Å; D387-T389 WeakPolarHBondContact OD1-CB 3.5Å; D387-T389 PolarHBondContact OD1-N 3.25Å; T389-T391 VanDerWaalsContact C-N 3.33Å; T389-C392 PolarHBondContact O-N 3.26Å; T389-Q393 PolarHBondContact O-N 3.09Å
390	L	86.8	Confident	89.9	Confident	104 Å²	104	36.1 Å²	36.1	55%	0.545	21%	0.206	S	C	.	.	H	α-helix	trans	-64.6	-37.9	171.9	-69.4	176.6	0	0	0	112.1	D387 C392 Q393	D387-L390 HydrophobicContact CB-CB 4.27Å; D387-L390 HydrophobicContact CB-CD1 4.06Å; D387-L390 HydrophobicContact CB-CG 4.22Å; L390-C392 VanDerWaalsContact C-N 3.34Å; L390-C392 PolarHBondContact O-N 3.19Å; L390-Q393 VanDerWaalsContact O-CB 3.27Å; L390-Q393 WeakPolarHBondContact O-CB 3.47Å; L390-Q393 PolarHBondContact O-N 3.41Å
391	T	90.2	Very high	90.1	Very high	10 Å²	10	34.8 Å²	34.8	6%	0.061	20%	0.201	C	C	.	.	H	α-helix	trans	-64.4	-39.2	177.2	-55.5	0	0	0	0	111.6	L378 Q381 D387 V388 T389 Q393 A397 L398	L378-T391 HydrophobicContact CD2-CG2 3.99Å; Q381-T391 HydrophobicContact CG-CG2 4.35Å; D387-T391 PolarHBondContact O-N 3.47Å; D387-T391 VanDerWaalsContact O-N 3.11Å; D387-T391 PolarHBondContact O-OG1 2.66Å; V388-T391 PolarHBondContact O-N 2.81Å; T389-T391 VanDerWaalsContact C-N 3.33Å; T391-Q393 VanDerWaalsContact C-N 3.33Å; T391-A397 WeakPolarHBondContact O-CB 3.41Å; T391-L398 HydrophobicContact CG2-CB 4.48Å; T391-L398 HydrophobicContact CG2-CD1 4.27Å; T391-L398 PolarHBondContact O-N 3.15Å; T391-L398 VanDerWaalsContact O-N 3.15Å
392	C	91.5	Very high	90.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-1.1	176.8	-67.1	0	0	0	0	114	N358 L361 V388 T389 L390 T394	N358-C392 VanDerWaalsContact CB-O 3.28Å; N358-C392 WeakPolarHBondContact CB-O 3.49Å; N358-C392 PolarHBondContact ND2-O 3.21Å; L361-C392 HydrophobicContact CD1-CB 4.3Å; L361-C392 VanDerWaalsContact CD1-O 3.31Å; L361-C392 WeakPolarHBondContact CD1-O 3.37Å; V388-C392 WeakPolarHBondContact O-CB 3.2Å; V388-C392 PolarHBondContact O-N 2.83Å; V388-C392 PolarHBondContact O-SG 3.45Å; T389-C392 PolarHBondContact O-N 3.26Å; L390-C392 VanDerWaalsContact C-N 3.34Å; L390-C392 PolarHBondContact O-N 3.19Å; C392-T394 PolarHBondContact O-N 3.43Å
393	Q	90.5	Very high	90.2	Very high	67 Å²	67	33.1 Å²	33.1	31%	0.313	19%	0.192	S	C	.	.	S	Bend	trans	-62.7	-32.9	-175.6	-169.8	-177.2	24.8	0	0	112.8	N358 T389 L390 T391 Y586	N358-Q393 PolarHBondContact ND2-O 3.28Å; N358-Q393 VanDerWaalsContact ND2-O 3.17Å; T389-Q393 PolarHBondContact O-N 3.09Å; L390-Q393 VanDerWaalsContact O-CB 3.27Å; L390-Q393 WeakPolarHBondContact O-CB 3.47Å; L390-Q393 PolarHBondContact O-N 3.41Å; T391-Q393 VanDerWaalsContact C-N 3.33Å; Q393-Y586 WeakPolarHBondContact O-CE1 3.34Å; Q393-Y586 PolarHBondContact O-OH 2.96Å
394	T	93.3	Very high	90.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-144.8	157.7	-178.6	67	0	0	0	0	109.9	C392 T396 A397 L398 R539 Y586 E587 Q589	C392-T394 PolarHBondContact O-N 3.43Å; T394-T396 VanDerWaalsContact C-N 3.29Å; T394-T396 PolarHBondContact O-N 3.35Å; T394-A397 PolarHBondContact O-N 2.94Å; T394-A397 VanDerWaalsContact OG1-CB 3.27Å; T394-A397 WeakPolarHBondContact OG1-CB 3.36Å; T394-A397 PolarHBondContact OG1-N 3.46Å; T394-A397 VanDerWaalsContact OG1-N 3.14Å; T394-L398 PolarHBondContact O-N 3.16Å; T394-R539 VanDerWaalsContact OG1-CZ 3.32Å; T394-R539 PolarHBondContact OG1-NH2 3Å; T394-Y586 HydrophobicContact CG2-CD1 4.37Å; T394-Y586 HydrophobicContact CG2-CE1 3.97Å; T394-E587 WeakPolarHBondContact CB-OE2 3.36Å; T394-Q589 HydrophobicContact CG2-CG 3.84Å
395	T	93	Very high	90.3	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-39.6	178.1	61.3	0	0	0	0	111.3	M360 L361 M364 A397 L398 F399 Q526 E587	M360-T395 HydrophobicContact CB-CG2 4.44Å; M360-T395 HydrophobicContact CE-CG2 4.15Å; M360-T395 HydrophobicContact CG-CG2 3.86Å; M360-T395 HydrophobicContact SD-CG2 3.68Å; L361-T395 HydrophobicContact CD2-CG2 3.87Å; L361-T395 HydrophobicContact CG-CG2 3.95Å; M364-T395 HydrophobicContact CE-CG2 3.65Å; M364-T395 HydrophobicContact SD-CG2 4.13Å; T395-A397 PolarHBondContact O-N 3.42Å; T395-L398 PolarHBondContact O-N 2.86Å; T395-F399 WeakPolarHBondContact O-CD2 3.49Å; T395-F399 PolarHBondContact O-N 3.4Å; T395-F399 VanDerWaalsContact O-N 3.16Å; T395-Q526 PolarHBondContact OG1-NE2 3.03Å; T395-Q526 VanDerWaalsContact OG1-NE2 3.15Å; T395-E587 WeakPolarHBondContact CB-OE1 3.48Å; T395-E587 PolarHBondContact N-OE1 2.9Å; T395-E587 PolarHBondContact N-OE2 3.39Å; T395-E587 VanDerWaalsContact OG1-CD 3.23Å; T395-E587 PolarHBondContact OG1-OE1 3.3Å; T395-E587 PolarHBondContact OG1-OE2 3.48Å
396	T	95	Very high	90.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68.7	-35.2	-178	-47.6	0	0	0	0	112.8	T394 T400 F485 C529 F530 L534 E587	T394-T396 VanDerWaalsContact C-N 3.29Å; T394-T396 PolarHBondContact O-N 3.35Å; T396-T400 WeakPolarHBondContact O-CB 3.34Å; T396-T400 PolarHBondContact O-N 2.87Å; T396-T400 PolarHBondContact O-OG1 2.66Å; T396-F485 HydrophobicContact CG2-CE2 4.21Å; T396-C529 PolarHBondContact OG1-O 3.42Å; T396-F530 HydrophobicContact CG2-CD1 4.14Å; T396-F530 WeakPolarHBondContact OG1-CA 3.42Å; T396-L534 HydrophobicContact CG2-CD2 4.07Å; T396-L534 HydrophobicContact CG2-CG 4.1Å; T396-E587 WeakPolarHBondContact CB-OE2 3.41Å; T396-E587 PolarHBondContact N-OE2 3.28Å; T396-E587 PolarHBondContact OG1-OE2 3.31Å
397	A	94.8	Very high	90.2	Very high	12 Å²	12	20.8 Å²	20.8	10%	0.099	11%	0.113	C	C	.	.	H	α-helix	trans	-60.9	-47.9	176.3	0	0	0	0	0	111.5	T391 T394 T395 T400 S401	T391-A397 WeakPolarHBondContact O-CB 3.41Å; T394-A397 PolarHBondContact O-N 2.94Å; T394-A397 VanDerWaalsContact OG1-CB 3.27Å; T394-A397 WeakPolarHBondContact OG1-CB 3.36Å; T394-A397 PolarHBondContact OG1-N 3.46Å; T394-A397 VanDerWaalsContact OG1-N 3.14Å; T395-A397 PolarHBondContact O-N 3.42Å; A397-T400 PolarHBondContact O-N 3.37Å; A397-S401 PolarHBondContact O-N 2.86Å; A397-S401 PolarHBondContact O-OG 3.02Å
398	L	94.5	Very high	89.5	Confident	2 Å²	2	19.6 Å²	19.6	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-61	-49.5	178.8	-171.1	112.9	0	0	0	111.6	L361 T374 L378 T391 T394 T395 T400 S401 Y402	L361-L398 HydrophobicContact CD1-CB 4.27Å; L361-L398 HydrophobicContact CD1-CD1 4.47Å; L361-L398 HydrophobicContact CD2-CB 4.26Å; L361-L398 HydrophobicContact CD2-CD2 4.03Å; T374-L398 HydrophobicContact CG2-CD1 3.8Å; T374-L398 HydrophobicContact CG2-CD2 4Å; L378-L398 HydrophobicContact CD2-CD1 3.89Å; L378-L398 HydrophobicContact CG-CD1 4.31Å; T391-L398 HydrophobicContact CG2-CB 4.48Å; T391-L398 HydrophobicContact CG2-CD1 4.27Å; T391-L398 PolarHBondContact O-N 3.15Å; T391-L398 VanDerWaalsContact O-N 3.15Å; T394-L398 PolarHBondContact O-N 3.16Å; T395-L398 PolarHBondContact O-N 2.86Å; L398-T400 PolarHBondContact O-N 2.91Å; L398-S401 PolarHBondContact O-N 3.28Å; L398-Y402 PolarHBondContact O-N 2.93Å
399	F	93.8	Very high	88.3	Confident	6 Å²	6	24.3 Å²	24.3	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-68.9	-32.2	-180	-83.4	-85.4	0	0	0	113	M364 T395 S401 Y402 I403 H481 F485 F530	M364-F399 HydrophobicContact SD-CE2 4.23Å; T395-F399 WeakPolarHBondContact O-CD2 3.49Å; T395-F399 PolarHBondContact O-N 3.4Å; T395-F399 VanDerWaalsContact O-N 3.16Å; F399-S401 VanDerWaalsContact C-N 3.33Å; F399-S401 PolarHBondContact O-N 3.13Å; F399-Y402 HydrophobicContact CD1-CD1 4.44Å; F399-Y402 PolarHBondContact O-N 3.49Å; F399-I403 WeakPolarHBondContact O-CB 3.46Å; F399-I403 VanDerWaalsContact O-CG1 3.24Å; F399-I403 WeakPolarHBondContact O-CG1 3.47Å; F399-I403 PolarHBondContact O-N 3.06Å; F399-H481 HydrophobicContact CD1-CB 4.27Å; F399-H481 HydrophobicContact CE1-CB 3.49Å; F399-H481 VanDerWaalsContact CE1-CB 3.49Å; F399-H481 HydrophobicContact CE2-CB 4.11Å; F399-H481 HydrophobicContact CZ-CB 3.4Å; F399-H481 AromaticContact CZ-CD2 3.78Å; F399-H481 AromaticContact CZ-CG 3.91Å; F399-F485 HydrophobicContact CB-CD2 3.79Å; F399-F485 HydrophobicContact CB-CE2 4.05Å; F399-F530 HydrophobicContact CB-CE1 3.81Å; F399-F530 HydrophobicContact CB-CZ 4.08Å; F399-F530 HydrophobicContact CD1-CZ 4.32Å; F399-F530 AromaticContact CD2-CE1 3.69Å; F399-F530 HydrophobicContact CD2-CE1 3.69Å; F399-F530 AromaticContact CD2-CZ 3.59Å; F399-F530 HydrophobicContact CD2-CZ 3.59Å; F399-F530 HydrophobicContact CE2-CZ 4.1Å; F399-F530 AromaticContact CG-CE1 3.88Å; F399-F530 HydrophobicContact CG-CE1 3.88Å; F399-F530 AromaticContact CG-CZ 3.72Å; F399-F530 HydrophobicContact CG-CZ 3.72Å
400	T	94.1	Very high	86.8	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.5	-43.9	172	-61.3	0	0	0	0	110.9	T396 A397 L398 S404 R539 Q542 L543	T396-T400 WeakPolarHBondContact O-CB 3.34Å; T396-T400 PolarHBondContact O-N 2.87Å; T396-T400 PolarHBondContact O-OG1 2.66Å; A397-T400 PolarHBondContact O-N 3.37Å; L398-T400 PolarHBondContact O-N 2.91Å; T400-S404 VanDerWaalsContact O-CB 3.3Å; T400-S404 WeakPolarHBondContact O-CB 3.4Å; T400-S404 PolarHBondContact O-N 3.23Å; T400-S404 PolarHBondContact O-OG 3.07Å; T400-R539 HydrophobicContact CG2-CB 4.25Å; T400-Q542 HydrophobicContact CG2-CB 4.45Å; T400-Q542 HydrophobicContact CG2-CG 4.3Å; T400-L543 HydrophobicContact CG2-CD1 4.44Å; T400-L543 HydrophobicContact CG2-CD2 3.86Å; T400-L543 HydrophobicContact CG2-CG 3.88Å
401	S	92.2	Very high	84.9	Confident	9 Å²	9	27.5 Å²	27.5	6%	0.063	16%	0.157	C	C	.	.	H	α-helix	trans	-66.8	-42.6	176.2	-74.8	0	0	0	0	112.7	A397 L398 F399 S404 S405	A397-S401 PolarHBondContact O-N 2.86Å; A397-S401 PolarHBondContact O-OG 3.02Å; L398-S401 PolarHBondContact O-N 3.28Å; F399-S401 VanDerWaalsContact C-N 3.33Å; F399-S401 PolarHBondContact O-N 3.13Å; S401-S404 PolarHBondContact O-N 3.15Å; S401-S405 WeakPolarHBondContact O-CB 3.38Å; S401-S405 PolarHBondContact O-N 3.38Å
402	Y	91.4	Very high	82.9	Confident	15 Å²	15	31 Å²	31	6%	0.059	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-50.6	176.2	173.6	-108.3	0	0	0	111.7	A373 C377 L398 F399 S404 S405 L406 V482	A373-Y402 HydrophobicContact CB-CD2 4.31Å; A373-Y402 HydrophobicContact CB-CE2 3.79Å; C377-Y402 HydrophobicContact CB-CD2 4.12Å; C377-Y402 PolarHBondContact SG-N 3.4Å; C377-Y402 VanDerWaalsContact SG-N 3.37Å; L398-Y402 PolarHBondContact O-N 2.93Å; F399-Y402 HydrophobicContact CD1-CD1 4.44Å; F399-Y402 PolarHBondContact O-N 3.49Å; Y402-S404 VanDerWaalsContact C-N 3.28Å; Y402-S404 PolarHBondContact O-N 2.72Å; Y402-S405 PolarHBondContact O-N 3.1Å; Y402-S405 PolarHBondContact O-OG 3.4Å; Y402-L406 HydrophobicContact CE1-CD1 4.15Å; Y402-L406 HydrophobicContact CE2-CD2 4.23Å; Y402-L406 PolarHBondContact O-N 3.02Å; Y402-L406 VanDerWaalsContact O-N 3.17Å; Y402-V482 HydrophobicContact CD1-CG2 4.49Å; Y402-V482 HydrophobicContact CE1-CG2 3.91Å
403	I	90.9	Very high	80.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-40.4	178	-67	-64	0	0	0	110.7	F399 S405 L406 F407 V482 F485 F486 F547	F399-I403 WeakPolarHBondContact O-CB 3.46Å; F399-I403 VanDerWaalsContact O-CG1 3.24Å; F399-I403 WeakPolarHBondContact O-CG1 3.47Å; F399-I403 PolarHBondContact O-N 3.06Å; I403-S405 VanDerWaalsContact C-N 3.26Å; I403-S405 PolarHBondContact O-N 3.09Å; I403-L406 HydrophobicContact CD1-CD1 4.09Å; I403-L406 PolarHBondContact O-N 2.84Å; I403-F407 HydrophobicContact CG2-CE2 4.28Å; I403-F407 WeakPolarHBondContact O-CD2 3.31Å; I403-F407 WeakPolarHBondContact O-CE2 3.39Å; I403-V482 HydrophobicContact CD1-CG1 3.99Å; I403-V482 HydrophobicContact CD1-CG2 4.21Å; I403-F485 HydrophobicContact CB-CE1 4.31Å; I403-F485 HydrophobicContact CG1-CD1 3.91Å; I403-F485 HydrophobicContact CG1-CE1 4.02Å; I403-F485 HydrophobicContact CG1-CG 4.42Å; I403-F485 HydrophobicContact CG2-CE1 4.36Å; I403-F486 HydrophobicContact CD1-CE2 3.98Å; I403-F486 HydrophobicContact CD1-CZ 4.37Å; I403-F486 HydrophobicContact CG2-CZ 4.25Å; I403-F547 HydrophobicContact CG2-CE2 4.08Å; I403-F547 HydrophobicContact CG2-CZ 3.71Å
404	S	89.1	Confident	79.1	Confident	12 Å²	12	37.4 Å²	37.4	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-64.9	-32.3	176.5	-60.4	0	0	0	0	112.7	T400 S401 Y402 F407 T546	T400-S404 VanDerWaalsContact O-CB 3.3Å; T400-S404 WeakPolarHBondContact O-CB 3.4Å; T400-S404 PolarHBondContact O-N 3.23Å; T400-S404 PolarHBondContact O-OG 3.07Å; S401-S404 PolarHBondContact O-N 3.15Å; Y402-S404 VanDerWaalsContact C-N 3.28Å; Y402-S404 PolarHBondContact O-N 2.72Å; S404-F407 PolarHBondContact O-N 2.93Å; S404-T546 WeakPolarHBondContact CB-OG1 3.27Å; S404-T546 PolarHBondContact OG-OG1 3.21Å; S404-T546 VanDerWaalsContact OG-OG1 3.09Å
405	S	86.2	Confident	77.5	Confident	6 Å²	6	39 Å²	39	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-77.6	-22.4	-179	79.7	0	0	0	0	113.8	Q380 S401 Y402 I403 F407 T408	Q380-S405 PolarHBondContact OE1-OG 2.59Å; S401-S405 WeakPolarHBondContact O-CB 3.38Å; S401-S405 PolarHBondContact O-N 3.38Å; Y402-S405 PolarHBondContact O-N 3.1Å; Y402-S405 PolarHBondContact O-OG 3.4Å; I403-S405 VanDerWaalsContact C-N 3.26Å; I403-S405 PolarHBondContact O-N 3.09Å; S405-F407 PolarHBondContact O-N 3.22Å; S405-F407 VanDerWaalsContact O-N 3.16Å; S405-T408 WeakPolarHBondContact CA-OG1 3.37Å; S405-T408 PolarHBondContact O-N 3.47Å; S405-T408 VanDerWaalsContact O-N 3.17Å; S405-T408 PolarHBondContact O-OG1 3.28Å
406	L	84.1	Confident	76.2	Confident	32 Å²	32	48.6 Å²	48.6	17%	0.168	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.3	169.5	-63.9	179.2	0	0	0	113.1	Y402 I403	Y402-L406 HydrophobicContact CE1-CD1 4.15Å; Y402-L406 HydrophobicContact CE2-CD2 4.23Å; Y402-L406 PolarHBondContact O-N 3.02Å; Y402-L406 VanDerWaalsContact O-N 3.17Å; I403-L406 HydrophobicContact CD1-CD1 4.09Å; I403-L406 PolarHBondContact O-N 2.84Å
407	F	79.9	Confident	75	Confident	19 Å²	19	53.3 Å²	53.3	8%	0.083	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	5.1	179.8	-58.1	-83.3	0	0	0	113.6	I403 S404 S405 P415 L417 P418 N462 I464 T546 F547	I403-F407 HydrophobicContact CG2-CE2 4.28Å; I403-F407 WeakPolarHBondContact O-CD2 3.31Å; I403-F407 WeakPolarHBondContact O-CE2 3.39Å; S404-F407 PolarHBondContact O-N 2.93Å; S405-F407 PolarHBondContact O-N 3.22Å; S405-F407 VanDerWaalsContact O-N 3.16Å; F407-P415 WeakPolarHBondContact O-CG 3.43Å; F407-L417 HydrophobicContact CD1-CD2 4.28Å; F407-P418 HydrophobicContact CE1-CG 4.43Å; F407-N462 HydrophobicContact CE1-CB 4.04Å; F407-N462 WeakPolarHBondContact CE1-ND2 3.48Å; F407-I464 HydrophobicContact CE1-CD1 4.35Å; F407-I464 HydrophobicContact CE2-CD1 4.45Å; F407-I464 HydrophobicContact CZ-CD1 3.59Å; F407-I464 HydrophobicContact CZ-CG1 4.4Å; F407-T546 HydrophobicContact CB-CG2 4.06Å; F407-T546 HydrophobicContact CD2-CG2 3.66Å; F407-T546 HydrophobicContact CE2-CG2 4.48Å; F407-T546 HydrophobicContact CG-CG2 4.13Å; F407-F547 HydrophobicContact CD2-CE1 4.16Å; F407-F547 HydrophobicContact CD2-CZ 4.42Å; F407-F547 HydrophobicContact CE1-CE1 4.3Å; F407-F547 HydrophobicContact CE2-CD1 4.42Å; F407-F547 AromaticContact CE2-CE1 3.41Å; F407-F547 HydrophobicContact CE2-CE1 3.41Å; F407-F547 VanDerWaalsContact CE2-CE1 3.41Å; F407-F547 AromaticContact CE2-CZ 3.67Å; F407-F547 HydrophobicContact CE2-CZ 3.67Å; F407-F547 HydrophobicContact CZ-CD1 4.42Å; F407-F547 AromaticContact CZ-CE1 3.49Å; F407-F547 HydrophobicContact CZ-CE1 3.49Å; F407-F547 VanDerWaalsContact CZ-CE1 3.49Å; F407-F547 HydrophobicContact CZ-CZ 4.14Å
408	T	72	Confident	74	Confident	46 Å²	46	53 Å²	53	28%	0.282	31%	0.314	S	S	.	.	S	Bend	trans	-77.9	137.3	172.6	37.1	0	0	0	0	111.3	K384 S405 V410	K384-T408 PolarHBondContact NZ-OG1 3.08Å; S405-T408 WeakPolarHBondContact CA-OG1 3.37Å; S405-T408 PolarHBondContact O-N 3.47Å; S405-T408 VanDerWaalsContact O-N 3.17Å; S405-T408 PolarHBondContact O-OG1 3.28Å; T408-V410 PolarHBondContact O-N 2.99Å
409	P	62.8	Low	73.2	Confident	99 Å²	99	56.9 Å²	56.9	64%	0.643	34%	0.335	S	S	*	.			trans	-61.7	129.2	179.2	-17.8	29.3	0	0	0	110.8
410	V	55.9	Low	72.6	Confident	85 Å²	85	60.8 Å²	60.8	52%	0.515	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-123.1	129	170.7	-175.6	0	0	0	0	106.5	T408 G412	T408-V410 PolarHBondContact O-N 2.99Å; V410-G412 PolarHBondContact O-N 3.38Å
411	D	48.4	Very low	72.1	Confident	158 Å²	158	64.4 Å²	64.4	85%	0.845	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	43.3	173.4	-54.8	-31.5	0	0	0	116.5	C413	D411-C413 PolarHBondContact O-N 3.46Å
412	G	47	Very low	71.8	Confident	84 Å²	84	65.3 Å²	65.3	87%	0.866	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	-6.6	170.9	0	0	0	0	0	116	V410	V410-G412 PolarHBondContact O-N 3.38Å
413	C	46.4	Very low	71.6	Confident	100 Å²	100	64.6 Å²	64.6	68%	0.676	38%	0.376	S	S	*	.	B	Isolated β-bridge	trans	-89.2	118.1	167	-85.2	0	0	0	0	110.2	D411 P415	D411-C413 PolarHBondContact O-N 3.46Å; C413-P415 WeakPolarHBondContact O-CD 3.39Å
414	S	55.6	Low	71.4	Confident	101 Å²	101	69.7 Å²	69.7	71%	0.706	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-82	122.3	171.5	46.2	0	0	0	0	109.9	R416	S414-R416 PolarHBondContact O-N 3.46Å
415	P	61.5	Low	71.4	Confident	32 Å²	32	73.7 Å²	73.7	21%	0.208	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-61.8	138.3	174.8	20.7	-27.9	0	0	0	110.2	F407 C413 L417 N462	F407-P415 WeakPolarHBondContact O-CG 3.43Å; C413-P415 WeakPolarHBondContact O-CD 3.39Å; P415-L417 PolarHBondContact O-N 3.19Å; P415-N462 VanDerWaalsContact CB-OD1 3.3Å; P415-N462 WeakPolarHBondContact CB-OD1 3.47Å
416	R	65.1	Low	71.6	Confident	202 Å²	202	73.4 Å²	73.4	76%	0.762	41%	0.406	S	S	*	.			trans	-71.6	112.3	178.5	-75.3	-175	-179.9	178.7	1.3	109.3	S414 S458 N462	S414-R416 PolarHBondContact O-N 3.46Å; R416-S458 PolarHBondContact O-OG 3.15Å; R416-N462 PolarHBondContact O-ND2 3.34Å
417	L	69.8	Low	72	Confident	100 Å²	100	71.9 Å²	71.9	52%	0.524	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-66.4	130.4	176.4	-80.2	153	0	0	0	110.9	F407 P415 T546	F407-L417 HydrophobicContact CD1-CD2 4.28Å; P415-L417 PolarHBondContact O-N 3.19Å; L417-T546 WeakPolarHBondContact CD2-O 3.46Å
418	P	74.4	Confident	72.4	Confident	4 Å²	4	73.5 Å²	73.5	3%	0.026	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-68.6	138.1	173.3	28.8	-32.6	0	0	0	109.9	F407 Q422 F459 F547	F407-P418 HydrophobicContact CE1-CG 4.43Å; P418-Q422 HydrophobicContact CB-CB 4.21Å; P418-F459 HydrophobicContact CB-CE1 3.75Å; P418-F459 HydrophobicContact CB-CZ 4.34Å; P418-F459 HydrophobicContact CG-CE1 4.28Å; P418-F547 HydrophobicContact CG-CD1 4.12Å; P418-F547 HydrophobicContact CG-CE1 4.29Å
419	N	76.9	Confident	73.3	Confident	84 Å²	84	71.4 Å²	71.4	45%	0.449	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-69.5	163.8	171.5	71.9	40.3	0	0	0	111.1	V421 Q422 L423	N419-V421 PolarHBondContact O-N 2.82Å; N419-V421 VanDerWaalsContact O-N 3.14Å; N419-V421 PolarHBondContact OD1-N 3.27Å; N419-V421 VanDerWaalsContact OD1-N 3.12Å; N419-Q422 PolarHBondContact ND2-OE1 3.22Å; N419-Q422 WeakPolarHBondContact O-CB 3.21Å; N419-Q422 PolarHBondContact O-N 3.16Å; N419-Q422 VanDerWaalsContact O-N 3.15Å; N419-Q422 WeakPolarHBondContact OD1-CB 3.32Å; N419-Q422 VanDerWaalsContact OD1-CG 3.29Å; N419-Q422 WeakPolarHBondContact OD1-CG 3.32Å; N419-Q422 PolarHBondContact OD1-N 3.41Å; N419-L423 PolarHBondContact O-N 3.36Å
420	Q	81.7	Confident	74.7	Confident	88 Å²	88	66.7 Å²	66.7	41%	0.411	36%	0.362	S	S	.	.	H	α-helix	trans	-57	-33.9	-175.7	-177.3	171.2	37.9	0	0	113.5	R424 C549	Q420-R424 WeakPolarHBondContact O-CB 3.5Å; Q420-R424 WeakPolarHBondContact O-CG 3.3Å; Q420-R424 PolarHBondContact O-N 2.83Å; Q420-R424 VanDerWaalsContact O-N 3.09Å; Q420-C549 PolarHBondContact NE2-SG 3.42Å; Q420-C549 VanDerWaalsContact NE2-SG 3.4Å
421	V	83.3	Confident	76.4	Confident	77 Å²	77	62.6 Å²	62.6	47%	0.467	34%	0.338	S	S	.	.	H	α-helix	trans	-72.7	-44.5	179.7	178.6	0	0	0	0	110.9	N419 L423 R424 R425	N419-V421 PolarHBondContact O-N 2.82Å; N419-V421 VanDerWaalsContact O-N 3.14Å; N419-V421 PolarHBondContact OD1-N 3.27Å; N419-V421 VanDerWaalsContact OD1-N 3.12Å; V421-L423 VanDerWaalsContact C-N 3.34Å; V421-L423 PolarHBondContact O-N 3.17Å; V421-R424 PolarHBondContact O-N 3.27Å; V421-R425 WeakPolarHBondContact O-CG 3.35Å; V421-R425 PolarHBondContact O-N 2.81Å
422	Q	85.1	Confident	78.4	Confident	27 Å²	27	58 Å²	58	13%	0.126	31%	0.31	C	S	.	.	H	α-helix	trans	-58.9	-46.7	175.6	-73.5	167	-24.7	0	0	110.7	P418 N419 R424 R425 L426 D455 F459	P418-Q422 HydrophobicContact CB-CB 4.21Å; N419-Q422 PolarHBondContact ND2-OE1 3.22Å; N419-Q422 WeakPolarHBondContact O-CB 3.21Å; N419-Q422 PolarHBondContact O-N 3.16Å; N419-Q422 VanDerWaalsContact O-N 3.15Å; N419-Q422 WeakPolarHBondContact OD1-CB 3.32Å; N419-Q422 VanDerWaalsContact OD1-CG 3.29Å; N419-Q422 WeakPolarHBondContact OD1-CG 3.32Å; N419-Q422 PolarHBondContact OD1-N 3.41Å; Q422-R424 PolarHBondContact O-N 3.47Å; Q422-R425 PolarHBondContact O-N 2.85Å; Q422-L426 PolarHBondContact O-N 2.97Å; Q422-D455 HydrophobicContact CG-CB 4.31Å; Q422-D455 PolarHBondContact NE2-OD1 3.4Å; Q422-F459 HydrophobicContact CB-CZ 4.04Å
423	L	87.2	Confident	80.3	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-45.6	178	-177.6	62.6	0	0	0	111.7	N419 V421 R425 L426 C427 F486 M489 L493 F547 C549	N419-L423 PolarHBondContact O-N 3.36Å; V421-L423 VanDerWaalsContact C-N 3.34Å; V421-L423 PolarHBondContact O-N 3.17Å; L423-R425 VanDerWaalsContact C-N 3.35Å; L423-R425 PolarHBondContact O-N 2.87Å; L423-L426 PolarHBondContact O-N 3.16Å; L423-C427 PolarHBondContact O-N 3.3Å; L423-C427 PolarHBondContact O-SG 2.59Å; L423-F486 HydrophobicContact CD1-CD1 4.16Å; L423-F486 HydrophobicContact CD1-CE1 3.75Å; L423-M489 HydrophobicContact CD1-CE 4.3Å; L423-M489 HydrophobicContact CD2-CE 4.15Å; L423-L493 HydrophobicContact CD2-CD1 3.99Å; L423-L493 HydrophobicContact CG-CD1 3.96Å; L423-F547 HydrophobicContact CD1-CD1 4.28Å; L423-F547 HydrophobicContact CD1-CE1 4.11Å; L423-F547 HydrophobicContact CD1-CZ 4.4Å; L423-F547 HydrophobicContact CD2-CB 3.94Å; L423-F547 HydrophobicContact CD2-CD1 4.04Å; L423-F547 HydrophobicContact CD2-CD2 4.26Å; L423-F547 HydrophobicContact CD2-CG 3.83Å; L423-C549 HydrophobicContact CD2-CB 4.41Å
424	R	87.3	Confident	82.4	Confident	107 Å²	107	49.3 Å²	49.3	40%	0.404	24%	0.238	S	C	.	.	H	α-helix	trans	-60.2	-42.3	176.4	-79.2	-179.5	175.9	-179.4	2.9	112.4	Q420 V421 Q422 C427 H428 L493	Q420-R424 WeakPolarHBondContact O-CB 3.5Å; Q420-R424 WeakPolarHBondContact O-CG 3.3Å; Q420-R424 PolarHBondContact O-N 2.83Å; Q420-R424 VanDerWaalsContact O-N 3.09Å; V421-R424 PolarHBondContact O-N 3.27Å; Q422-R424 PolarHBondContact O-N 3.47Å; R424-C427 PolarHBondContact O-N 2.86Å; R424-H428 WeakPolarHBondContact O-CB 3.28Å; R424-H428 PolarHBondContact O-N 3.34Å; R424-L493 HydrophobicContact CG-CB 4.21Å; R424-L493 HydrophobicContact CG-CD1 4.37Å; R424-L493 PolarHBondContact NE-O 3.25Å; R424-L493 PolarHBondContact NH2-O 2.73Å
425	R	89.3	Confident	83.9	Confident	95 Å²	95	46.5 Å²	46.5	36%	0.358	21%	0.212	S	C	.	.	H	α-helix	trans	-64.6	-42.9	177.4	-72.3	176.6	-179.5	161.8	5.5	111.7	V421 Q422 L423 H428 V429 G450 L451	V421-R425 WeakPolarHBondContact O-CG 3.35Å; V421-R425 PolarHBondContact O-N 2.81Å; Q422-R425 PolarHBondContact O-N 2.85Å; L423-R425 VanDerWaalsContact C-N 3.35Å; L423-R425 PolarHBondContact O-N 2.87Å; R425-H428 PolarHBondContact O-N 2.87Å; R425-V429 WeakPolarHBondContact O-CG2 3.13Å; R425-V429 PolarHBondContact O-N 3.38Å; R425-G450 WeakPolarHBondContact CD-O 3.16Å; R425-G450 PolarHBondContact NH1-O 3.5Å; R425-L451 HydrophobicContact CB-CD2 3.73Å; R425-L451 HydrophobicContact CB-CG 4.16Å
426	L	90.4	Very high	85	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-47.1	175.2	-179.2	68.1	0	0	0	111.9	Q422 L423 H428 V429 A430 F459 I464 I465 F477 F486	Q422-L426 PolarHBondContact O-N 2.97Å; L423-L426 PolarHBondContact O-N 3.16Å; L426-H428 VanDerWaalsContact C-N 3.27Å; L426-H428 PolarHBondContact O-N 2.79Å; L426-V429 PolarHBondContact O-N 3.29Å; L426-A430 WeakPolarHBondContact O-CB 2.98Å; L426-A430 PolarHBondContact O-N 3.01Å; L426-F459 HydrophobicContact CB-CE1 4.45Å; L426-F459 HydrophobicContact CB-CE2 4.15Å; L426-F459 HydrophobicContact CB-CZ 3.87Å; L426-F459 HydrophobicContact CD1-CD2 4.37Å; L426-F459 HydrophobicContact CD1-CE2 4.33Å; L426-F459 HydrophobicContact CD2-CD1 3.97Å; L426-F459 HydrophobicContact CD2-CE1 3.72Å; L426-F459 HydrophobicContact CD2-CE2 4.43Å; L426-F459 HydrophobicContact CD2-CG 4.42Å; L426-F459 HydrophobicContact CD2-CZ 3.97Å; L426-F459 HydrophobicContact CG-CZ 4.37Å; L426-I464 HydrophobicContact CD2-CD1 4.49Å; L426-I464 HydrophobicContact CD2-CG2 3.97Å; L426-I465 HydrophobicContact CD1-CD1 3.72Å; L426-I465 HydrophobicContact CD1-CG1 4.37Å; L426-F477 HydrophobicContact CD1-CE1 3.88Å; L426-F477 HydrophobicContact CD1-CZ 3.74Å; L426-F477 HydrophobicContact CG-CE1 4.37Å; L426-F477 HydrophobicContact CG-CZ 4.43Å; L426-F486 HydrophobicContact CD2-CD1 4.19Å; L426-F486 HydrophobicContact CD2-CD2 4.47Å; L426-F486 HydrophobicContact CD2-CE1 4.16Å; L426-F486 HydrophobicContact CD2-CE2 4.46Å; L426-F486 HydrophobicContact CD2-CG 4.36Å; L426-F486 HydrophobicContact CD2-CZ 4.31Å
427	C	91.4	Very high	85.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.8	-38.4	177.7	-63.4	0	0	0	0	111.5	L423 R424 A430 A431 F486 F490	L423-C427 PolarHBondContact O-N 3.3Å; L423-C427 PolarHBondContact O-SG 2.59Å; R424-C427 PolarHBondContact O-N 2.86Å; C427-A430 PolarHBondContact O-N 2.79Å; C427-A431 WeakPolarHBondContact O-CB 3.26Å; C427-A431 PolarHBondContact O-N 2.88Å; C427-F486 WeakPolarHBondContact CA-O 3.37Å; C427-F486 VanDerWaalsContact CB-O 3.3Å; C427-F486 WeakPolarHBondContact CB-O 3.4Å; C427-F490 HydrophobicContact CB-CB 3.87Å
428	H	89.5	Confident	86.3	Confident	52 Å²	52	39.2 Å²	39.2	24%	0.241	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-44.7	176.1	-176	-151.7	0	0	0	112.3	R424 R425 L426 A430 A431 K432 F449 F490 F507	R424-H428 WeakPolarHBondContact O-CB 3.28Å; R424-H428 PolarHBondContact O-N 3.34Å; R425-H428 PolarHBondContact O-N 2.87Å; L426-H428 VanDerWaalsContact C-N 3.27Å; L426-H428 PolarHBondContact O-N 2.79Å; H428-A430 VanDerWaalsContact C-N 3.31Å; H428-A430 PolarHBondContact O-N 2.59Å; H428-A431 PolarHBondContact O-N 2.8Å; H428-K432 WeakPolarHBondContact O-CB 3.3Å; H428-K432 PolarHBondContact O-N 3.27Å; H428-F449 AromaticContact ND1-CD1 3.97Å; H428-F490 HydrophobicContact CB-CD2 4.03Å; H428-F490 HydrophobicContact CB-CE2 4Å; H428-F490 AromaticContact CD2-CE2 3.73Å; H428-F507 AromaticContact CD2-CE2 3.68Å; H428-F507 AromaticContact CD2-CZ 3.97Å; H428-F507 AromaticContact NE2-CE2 3.58Å; H428-F507 AromaticContact NE2-CZ 3.43Å; H428-F507 WeakPolarHBondContact NE2-CZ 3.17Å
429	V	90.6	Very high	86.8	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-59.2	-44.5	173.9	171.8	0	0	0	0	110.7	R425 L426 G433 F441 L446 F449 L451	R425-V429 WeakPolarHBondContact O-CG2 3.13Å; R425-V429 PolarHBondContact O-N 3.38Å; L426-V429 PolarHBondContact O-N 3.29Å; V429-G433 PolarHBondContact O-N 3.09Å; V429-F441 HydrophobicContact CG1-CD1 3.52Å; V429-F441 HydrophobicContact CG1-CE1 3.34Å; V429-F441 HydrophobicContact CG1-CE2 4.49Å; V429-F441 HydrophobicContact CG1-CG 4.18Å; V429-F441 HydrophobicContact CG1-CZ 3.87Å; V429-L446 HydrophobicContact CG1-CD2 3.99Å; V429-L446 HydrophobicContact CG2-CD2 4.44Å; V429-F449 HydrophobicContact CG2-CB 3.54Å; V429-F449 HydrophobicContact CG2-CD1 4.26Å; V429-F449 HydrophobicContact CG2-CD2 3.68Å; V429-F449 HydrophobicContact CG2-CG 3.57Å; V429-L451 HydrophobicContact CG2-CD1 4.12Å
430	A	92.6	Very high	87.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.3	-50.7	178.7	0	0	0	0	0	111.7	L426 C427 H428 G433 I434 F477 Q483 F486 A487	L426-A430 WeakPolarHBondContact O-CB 2.98Å; L426-A430 PolarHBondContact O-N 3.01Å; C427-A430 PolarHBondContact O-N 2.79Å; H428-A430 VanDerWaalsContact C-N 3.31Å; H428-A430 PolarHBondContact O-N 2.59Å; A430-G433 PolarHBondContact O-N 3.41Å; A430-I434 WeakPolarHBondContact O-CG1 3.48Å; A430-I434 PolarHBondContact O-N 2.84Å; A430-F477 HydrophobicContact CB-CE2 4.38Å; A430-F477 HydrophobicContact CB-CZ 3.86Å; A430-Q483 HydrophobicContact CB-CG 4.02Å; A430-Q483 WeakPolarHBondContact CB-O 3.22Å; A430-F486 HydrophobicContact CB-CB 3.82Å; A430-A487 HydrophobicContact CB-CB 4.21Å
431	A	91.4	Very high	87.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.9	-52.3	179.5	0	0	0	0	0	111.9	C427 H428 G433 I434 W435 A487 F490	C427-A431 WeakPolarHBondContact O-CB 3.26Å; C427-A431 PolarHBondContact O-N 2.88Å; H428-A431 PolarHBondContact O-N 2.8Å; A431-G433 VanDerWaalsContact C-N 3.28Å; A431-G433 PolarHBondContact O-N 3.38Å; A431-I434 PolarHBondContact O-N 3.21Å; A431-W435 VanDerWaalsContact O-CD1 3.26Å; A431-W435 PolarHBondContact O-N 2.78Å; A431-W435 VanDerWaalsContact O-N 3.1Å; A431-A487 HydrophobicContact CB-CB 4.17Å; A431-F490 HydrophobicContact CB-CB 3.84Å; A431-F490 HydrophobicContact CB-CD1 3.79Å; A431-F490 HydrophobicContact CB-CD2 4.49Å; A431-F490 HydrophobicContact CB-CE1 4.47Å; A431-F490 HydrophobicContact CB-CG 3.79Å
432	K	89.2	Confident	87.3	Confident	61 Å²	61	31.2 Å²	31.2	27%	0.265	14%	0.143	S	C	.	.	H	α-helix	trans	-58.7	-43	176.7	-178	165	171.4	171.4	0	111.4	H428 I434 W435 T436 F449 F507	H428-K432 WeakPolarHBondContact O-CB 3.3Å; H428-K432 PolarHBondContact O-N 3.27Å; K432-I434 PolarHBondContact O-N 2.84Å; K432-W435 PolarHBondContact O-N 3.46Å; K432-T436 HydrophobicContact CG-CG2 4.26Å; K432-T436 WeakPolarHBondContact O-CG2 3.47Å; K432-T436 PolarHBondContact O-N 3.25Å; K432-T436 PolarHBondContact O-OG1 2.76Å; K432-F449 HydrophobicContact CD-CE1 3.79Å; K432-F449 HydrophobicContact CD-CZ 3.63Å; K432-F507 HydrophobicContact CB-CE1 4.2Å; K432-F507 HydrophobicContact CB-CZ 4.17Å; K432-F507 HydrophobicContact CD-CE1 4.07Å; K432-F507 HydrophobicContact CD-CZ 4.27Å; K432-F507 HydrophobicContact CG-CE1 4.08Å; K432-F507 HydrophobicContact CG-CZ 4.43Å
433	G	88.8	Confident	87.1	Confident	2 Å²	2	33.2 Å²	33.2	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-60.1	-41.9	177.9	0	0	0	0	0	113.6	V429 A430 A431 T436 M437 T438	V429-G433 PolarHBondContact O-N 3.09Å; A430-G433 PolarHBondContact O-N 3.41Å; A431-G433 VanDerWaalsContact C-N 3.28Å; A431-G433 PolarHBondContact O-N 3.38Å; G433-T436 PolarHBondContact O-N 2.63Å; G433-M437 CarbonylContact O-C 3.49Å; G433-M437 WeakPolarHBondContact O-CA 3.42Å; G433-M437 PolarHBondContact O-N 3.5Å; G433-T438 CarbonylContact C-O 3.34Å; G433-T438 WeakPolarHBondContact CA-O 3.4Å; G433-T438 PolarHBondContact O-N 2.86Å
434	I	89	Confident	86.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-43	176.5	-63.8	-55.2	0	0	0	111.1	A430 A431 K432 T436 M437 Y439 L480 Q483 E484 A487 Q523 L524 M527	A430-I434 WeakPolarHBondContact O-CG1 3.48Å; A430-I434 PolarHBondContact O-N 2.84Å; A431-I434 PolarHBondContact O-N 3.21Å; K432-I434 PolarHBondContact O-N 2.84Å; I434-T436 PolarHBondContact O-N 3.16Å; I434-M437 PolarHBondContact O-N 3.08Å; I434-Y439 HydrophobicContact CD1-CE1 4.2Å; I434-L480 HydrophobicContact CD1-CD1 3.95Å; I434-Q483 HydrophobicContact CD1-CB 4.25Å; I434-Q483 HydrophobicContact CD1-CG 3.76Å; I434-Q483 HydrophobicContact CG1-CG 4.07Å; I434-E484 HydrophobicContact CD1-CG 3.57Å; I434-E484 HydrophobicContact CG1-CG 4.1Å; I434-A487 HydrophobicContact CB-CB 4.46Å; I434-A487 HydrophobicContact CG1-CB 3.89Å; I434-Q523 WeakPolarHBondContact CG2-O 3.22Å; I434-Q523 WeakPolarHBondContact O-CG 3.18Å; I434-L524 HydrophobicContact CG2-CD2 3.99Å; I434-M527 HydrophobicContact CB-SD 4.47Å; I434-M527 HydrophobicContact CG2-SD 4.2Å
435	W	86.9	Confident	86.3	Confident	42 Å²	42	37.3 Å²	37.3	16%	0.159	18%	0.175	C	C	.	.	H	α-helix	trans	-65.5	-35.7	178.5	-84.1	89.1	0	0	0	113.5	A431 K432 Y491 P506 F507 L513 L524	A431-W435 VanDerWaalsContact O-CD1 3.26Å; A431-W435 PolarHBondContact O-N 2.78Å; A431-W435 VanDerWaalsContact O-N 3.1Å; K432-W435 PolarHBondContact O-N 3.46Å; W435-Y491 PolarHBondContact NE1-OH 3.16Å; W435-P506 HydrophobicContact CZ3-CB 4.36Å; W435-F507 HydrophobicContact CB-CB 3.89Å; W435-F507 HydrophobicContact CD2-CB 3.5Å; W435-F507 VanDerWaalsContact CD2-CB 3.5Å; W435-F507 HydrophobicContact CE3-CB 4.31Å; W435-F507 HydrophobicContact CG-CB 3.28Å; W435-F507 HydrophobicContact CG-CG 4.39Å; W435-F507 HydrophobicContact CZ2-CB 4.36Å; W435-L513 HydrophobicContact CZ2-CB 3.95Å; W435-L513 HydrophobicContact CZ2-CD1 3.75Å; W435-L513 HydrophobicContact CZ2-CG 4.43Å; W435-L524 HydrophobicContact CD2-CD1 4.35Å; W435-L524 HydrophobicContact CD2-CD2 3.9Å; W435-L524 HydrophobicContact CE3-CD1 4.18Å; W435-L524 HydrophobicContact CE3-CD2 4.4Å; W435-L524 HydrophobicContact CG-CD2 4.08Å; W435-L524 HydrophobicContact CH2-CD1 3.91Å; W435-L524 HydrophobicContact CZ2-CD1 4.09Å; W435-L524 HydrophobicContact CZ2-CD2 4.5Å; W435-L524 HydrophobicContact CZ3-CD1 3.95Å
436	T	84.2	Confident	86	Confident	75 Å²	75	33 Å²	33	46%	0.46	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	10.4	179	64.2	0	0	0	0	113.6	K432 G433 I434 T438	K432-T436 HydrophobicContact CG-CG2 4.26Å; K432-T436 WeakPolarHBondContact O-CG2 3.47Å; K432-T436 PolarHBondContact O-N 3.25Å; K432-T436 PolarHBondContact O-OG1 2.76Å; G433-T436 PolarHBondContact O-N 2.63Å; I434-T436 PolarHBondContact O-N 3.16Å; T436-T438 PolarHBondContact O-N 3.13Å; T436-T438 VanDerWaalsContact O-N 3.13Å; T436-T438 PolarHBondContact O-OG1 3Å; T436-T438 PolarHBondContact OG1-OG1 3.07Å
437	M	81.1	Confident	85.7	Confident	54 Å²	54	40.2 Å²	40.2	27%	0.266	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	33.9	-174.2	-59.1	-176.4	179	0	0	113.8	T310 G433 I434 Y439 Q523	T310-M437 HydrophobicContact CG2-SD 4.3Å; G433-M437 CarbonylContact O-C 3.49Å; G433-M437 WeakPolarHBondContact O-CA 3.42Å; G433-M437 PolarHBondContact O-N 3.5Å; I434-M437 PolarHBondContact O-N 3.08Å; M437-Y439 HydrophobicContact CB-CE2 4.25Å; M437-Y439 WeakPolarHBondContact O-CD2 3.49Å; M437-Y439 VanDerWaalsContact O-CE2 3.28Å; M437-Y439 WeakPolarHBondContact O-CE2 3.32Å; M437-Q523 HydrophobicContact CE-CB 4.38Å; M437-Q523 HydrophobicContact CE-CG 4.01Å; M437-Q523 HydrophobicContact CG-CG 4.14Å
438	T	82.9	Confident	85.3	Confident	51 Å²	51	49.9 Å²	49.9	31%	0.313	22%	0.223	S	C	.	.			trans	-97.7	116.1	178.6	-49.6	0	0	0	0	110.3	G433 T436 V440 F441 Q483	G433-T438 CarbonylContact C-O 3.34Å; G433-T438 WeakPolarHBondContact CA-O 3.4Å; G433-T438 PolarHBondContact O-N 2.86Å; T436-T438 PolarHBondContact O-N 3.13Å; T436-T438 VanDerWaalsContact O-N 3.13Å; T436-T438 PolarHBondContact O-OG1 3Å; T436-T438 PolarHBondContact OG1-OG1 3.07Å; T438-V440 WeakPolarHBondContact CG2-O 3.17Å; T438-F441 HydrophobicContact CG2-CE1 4.41Å; T438-F441 WeakPolarHBondContact O-CZ 3.42Å; T438-Q483 PolarHBondContact O-NE2 2.9Å
439	Y	83.9	Confident	84.8	Confident	17 Å²	17	49.7 Å²	49.7	7%	0.067	22%	0.221	C	C	.	.			trans	-114.8	-14.2	-176.2	-50.6	-67.6	0	0	0	113.8	R307 I434 M437 L480	R307-Y439 VanDerWaalsContact NH1-CE2 3.27Å; I434-Y439 HydrophobicContact CD1-CE1 4.2Å; M437-Y439 HydrophobicContact CB-CE2 4.25Å; M437-Y439 WeakPolarHBondContact O-CD2 3.49Å; M437-Y439 VanDerWaalsContact O-CE2 3.28Å; M437-Y439 WeakPolarHBondContact O-CE2 3.32Å; Y439-L480 HydrophobicContact CD1-CD1 3.62Å; Y439-L480 HydrophobicContact CE1-CD1 3.37Å
440	V	82.8	Confident	84.2	Confident	12 Å²	12	50.9 Å²	50.9	7%	0.073	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.1	174.8	-176	0	0	0	0	108.7	E262 T438 Y442 C474 V476	E262-V440 HydrophobicContact CG-CG2 4.02Å; E262-V440 WeakPolarHBondContact OE1-CG2 3.14Å; T438-V440 WeakPolarHBondContact CG2-O 3.17Å; V440-Y442 HydrophobicContact CG1-CE2 4.47Å; V440-C474 HydrophobicContact CG1-CB 4.27Å; V440-V476 HydrophobicContact CB-CG1 4.43Å; V440-V476 HydrophobicContact CG1-CG1 4.43Å; V440-V476 HydrophobicContact CG2-CG1 3.99Å
441	F	85.6	Confident	83.8	Confident	11 Å²	11	51 Å²	51	5%	0.048	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	116.6	-177.5	-58.9	-84.2	0	0	0	110.2	V429 T438 L446 Y475 F477	V429-F441 HydrophobicContact CG1-CD1 3.52Å; V429-F441 HydrophobicContact CG1-CE1 3.34Å; V429-F441 HydrophobicContact CG1-CE2 4.49Å; V429-F441 HydrophobicContact CG1-CG 4.18Å; V429-F441 HydrophobicContact CG1-CZ 3.87Å; T438-F441 HydrophobicContact CG2-CE1 4.41Å; T438-F441 WeakPolarHBondContact O-CZ 3.42Å; F441-L446 HydrophobicContact CB-CD1 4.34Å; F441-L446 HydrophobicContact CB-CD2 3.76Å; F441-L446 HydrophobicContact CB-CG 3.98Å; F441-L446 HydrophobicContact CD1-CD2 4.43Å; F441-L446 HydrophobicContact CG-CD2 4.22Å; F441-Y475 PolarHBondContact N-O 3.49Å; F441-Y475 WeakPolarHBondContact O-CB 3.08Å; F441-Y475 WeakPolarHBondContact O-CD2 3.49Å; F441-Y475 PolarHBondContact O-N 3.48Å; F441-F477 HydrophobicContact CD2-CD2 4.34Å; F441-F477 HydrophobicContact CD2-CE2 4.21Å; F441-F477 AromaticContact CE2-CD2 3.71Å; F441-F477 HydrophobicContact CE2-CD2 3.71Å; F441-F477 AromaticContact CE2-CE2 3.54Å; F441-F477 HydrophobicContact CE2-CE2 3.54Å; F441-F477 HydrophobicContact CZ-CE2 4.07Å
442	Y	83.1	Confident	83.4	Confident	46 Å²	46	54.2 Å²	54.2	18%	0.18	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	151.8	174.5	-63.2	-86.5	0	0	0	111.1	N221 Q222 V440 E444 N445 L446 N473 C474	N221-Y442 WeakPolarHBondContact CB-OH 3.25Å; N221-Y442 PolarHBondContact ND2-OH 3.41Å; Q222-Y442 HydrophobicContact CG-CE1 4.36Å; V440-Y442 HydrophobicContact CG1-CE2 4.47Å; Y442-E444 PolarHBondContact O-N 3.05Å; Y442-N445 WeakPolarHBondContact O-CB 3.26Å; Y442-N445 PolarHBondContact O-N 2.82Å; Y442-L446 PolarHBondContact O-N 3.5Å; Y442-N473 WeakPolarHBondContact CA-O 3.38Å; Y442-C474 WeakPolarHBondContact CE1-SG 3.49Å
443	R	81.8	Confident	83	Confident	68 Å²	68	58.1 Å²	58.1	26%	0.257	27%	0.271	S	S	.	.	H	α-helix	trans	-49.5	-43.4	178.8	-178.1	179	-82.7	175.3	3.5	113.1	N445 L446 R447 N473 Y475	R443-N445 VanDerWaalsContact C-N 3.34Å; R443-L446 PolarHBondContact O-N 3.4Å; R443-R447 WeakPolarHBondContact O-CG 3.32Å; R443-R447 PolarHBondContact O-N 3.21Å; R443-N473 HydrophobicContact CB-CB 4.28Å; R443-N473 PolarHBondContact N-O 2.84Å; R443-Y475 HydrophobicContact CB-CE2 4.06Å
444	E	79	Confident	82.5	Confident	136 Å²	136	62 Å²	62	64%	0.636	30%	0.298	S	S	*	.	H	α-helix	trans	-64.4	-40.1	179.4	-64	-174.1	176.3	0	0	111.9	Y442 R447 R448	Y442-E444 PolarHBondContact O-N 3.05Å; E444-R447 WeakPolarHBondContact O-CB 3.45Å; E444-R447 PolarHBondContact O-N 3.38Å; E444-R448 WeakPolarHBondContact O-CG 3.41Å; E444-R448 PolarHBondContact O-N 3.2Å
445	N	78.7	Confident	82.1	Confident	59 Å²	59	62.6 Å²	62.6	32%	0.316	30%	0.301	S	S	.	.	H	α-helix	trans	-64.7	-46.1	177.8	-63.2	19.1	0	0	0	110.2	Y442 R443 R447 R448 F449	Y442-N445 WeakPolarHBondContact O-CB 3.26Å; Y442-N445 PolarHBondContact O-N 2.82Å; R443-N445 VanDerWaalsContact C-N 3.34Å; N445-R447 VanDerWaalsContact C-N 3.3Å; N445-R447 PolarHBondContact O-N 3.49Å; N445-R448 WeakPolarHBondContact O-CB 3.14Å; N445-R448 PolarHBondContact O-N 3.46Å; N445-R448 VanDerWaalsContact O-N 3.1Å; N445-F449 WeakPolarHBondContact O-CD2 3.49Å; N445-F449 PolarHBondContact O-N 2.98Å
446	L	84	Confident	81.9	Confident	3 Å²	3	61 Å²	61	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-60.7	-38.8	176.3	-65.3	176.6	0	0	0	112.1	V429 F441 Y442 R443 F449 G450 L451 V456 Y475	V429-L446 HydrophobicContact CG1-CD2 3.99Å; V429-L446 HydrophobicContact CG2-CD2 4.44Å; F441-L446 HydrophobicContact CB-CD1 4.34Å; F441-L446 HydrophobicContact CB-CD2 3.76Å; F441-L446 HydrophobicContact CB-CG 3.98Å; F441-L446 HydrophobicContact CD1-CD2 4.43Å; F441-L446 HydrophobicContact CG-CD2 4.22Å; Y442-L446 PolarHBondContact O-N 3.5Å; R443-L446 PolarHBondContact O-N 3.4Å; L446-F449 PolarHBondContact O-N 2.58Å; L446-F449 VanDerWaalsContact O-N 3.17Å; L446-G450 PolarHBondContact O-N 3.48Å; L446-L451 HydrophobicContact CB-CB 4.39Å; L446-L451 HydrophobicContact CD2-CD1 4.05Å; L446-L451 WeakPolarHBondContact O-CB 3.48Å; L446-L451 PolarHBondContact O-N 2.74Å; L446-L451 VanDerWaalsContact O-N 3.08Å; L446-V456 HydrophobicContact CD1-CG2 4.12Å; L446-Y475 HydrophobicContact CD1-CD2 3.46Å; L446-Y475 VanDerWaalsContact CD1-CD2 3.46Å; L446-Y475 HydrophobicContact CD1-CE2 4.07Å; L446-Y475 HydrophobicContact CD1-CG 3.8Å
447	R	83.7	Confident	81.8	Confident	153 Å²	153	60.6 Å²	60.6	58%	0.577	30%	0.296	S	S	*	.	H	α-helix	trans	-63	-39.3	173.5	-76.1	-180	178.9	-174.9	-0.5	112.4	R443 E444 N445 F449 G450	R443-R447 WeakPolarHBondContact O-CG 3.32Å; R443-R447 PolarHBondContact O-N 3.21Å; E444-R447 WeakPolarHBondContact O-CB 3.45Å; E444-R447 PolarHBondContact O-N 3.38Å; N445-R447 VanDerWaalsContact C-N 3.3Å; N445-R447 PolarHBondContact O-N 3.49Å; R447-F449 PolarHBondContact O-N 3.38Å; R447-G450 WeakPolarHBondContact O-CA 3.48Å; R447-G450 PolarHBondContact O-N 2.97Å
448	R	82.3	Confident	81.8	Confident	204 Å²	204	58.9 Å²	58.9	77%	0.77	29%	0.29	S	S	*	.	H	α-helix	trans	-60.3	-28	174.7	-70.6	178.2	-175.4	-175.1	3.1	112.6	E444 N445 G450	E444-R448 WeakPolarHBondContact O-CG 3.41Å; E444-R448 PolarHBondContact O-N 3.2Å; N445-R448 WeakPolarHBondContact O-CB 3.14Å; N445-R448 PolarHBondContact O-N 3.46Å; N445-R448 VanDerWaalsContact O-N 3.1Å; R448-G450 VanDerWaalsContact C-N 3.3Å
449	F	78.8	Confident	81.8	Confident	48 Å²	48	56.5 Å²	56.5	21%	0.211	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	7.9	172.8	-64.5	-74.4	0	0	0	113.9	H428 V429 K432 N445 L446 R447	H428-F449 AromaticContact ND1-CD1 3.97Å; V429-F449 HydrophobicContact CG2-CB 3.54Å; V429-F449 HydrophobicContact CG2-CD1 4.26Å; V429-F449 HydrophobicContact CG2-CD2 3.68Å; V429-F449 HydrophobicContact CG2-CG 3.57Å; K432-F449 HydrophobicContact CD-CE1 3.79Å; K432-F449 HydrophobicContact CD-CZ 3.63Å; N445-F449 WeakPolarHBondContact O-CD2 3.49Å; N445-F449 PolarHBondContact O-N 2.98Å; L446-F449 PolarHBondContact O-N 2.58Å; L446-F449 VanDerWaalsContact O-N 3.17Å; R447-F449 PolarHBondContact O-N 3.38Å
450	G	78.8	Confident	81.7	Confident	27 Å²	27	58 Å²	58	28%	0.278	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	18.9	176.7	0	0	0	0	0	114.6	R425 L446 R447 R448	R425-G450 WeakPolarHBondContact CD-O 3.16Å; R425-G450 PolarHBondContact NH1-O 3.5Å; L446-G450 PolarHBondContact O-N 3.48Å; R447-G450 WeakPolarHBondContact O-CA 3.48Å; R447-G450 PolarHBondContact O-N 2.97Å; R448-G450 VanDerWaalsContact C-N 3.3Å
451	L	84.6	Confident	81.1	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.016	31%	0.31	C	S	.	.			trans	-87	117.4	172.9	-68	172.4	0	0	0	110.2	R425 V429 L446 D455 V456 F459	R425-L451 HydrophobicContact CB-CD2 3.73Å; R425-L451 HydrophobicContact CB-CG 4.16Å; V429-L451 HydrophobicContact CG2-CD1 4.12Å; L446-L451 HydrophobicContact CB-CB 4.39Å; L446-L451 HydrophobicContact CD2-CD1 4.05Å; L446-L451 WeakPolarHBondContact O-CB 3.48Å; L446-L451 PolarHBondContact O-N 2.74Å; L446-L451 VanDerWaalsContact O-N 3.08Å; L451-D455 HydrophobicContact CD2-CB 4.06Å; L451-V456 HydrophobicContact CB-CG2 4.3Å; L451-F459 HydrophobicContact CD2-CE2 3.91Å
452	T	83.2	Confident	80.7	Confident	66 Å²	66	60.2 Å²	60.2	41%	0.405	31%	0.31	S	S	.	.			trans	-79	167.8	177	68.1	0	0	0	0	111.5	S454 D455 V456	T452-S454 VanDerWaalsContact C-N 3.27Å; T452-S454 PolarHBondContact O-N 2.69Å; T452-S454 PolarHBondContact OG1-OG 3.15Å; T452-D455 WeakPolarHBondContact CB-OD2 3.33Å; T452-D455 PolarHBondContact N-OD2 2.96Å; T452-D455 PolarHBondContact O-N 3.42Å; T452-D455 VanDerWaalsContact O-N 3.14Å; T452-D455 PolarHBondContact OG1-N 3.14Å; T452-D455 PolarHBondContact OG1-OD1 3.22Å; T452-D455 PolarHBondContact OG1-OD2 3.48Å; T452-V456 WeakPolarHBondContact O-CG2 3.48Å; T452-V456 PolarHBondContact O-N 3.48Å; T452-V456 VanDerWaalsContact O-N 3.11Å
453	K	79.8	Confident	80.5	Confident	144 Å²	144	62.6 Å²	62.6	63%	0.626	33%	0.326	S	S	*	.	H	α-helix	trans	-58.9	-39.2	177.6	-169.1	-178.6	178.8	-175.2	0	111.8	V456 S457	K453-V456 PolarHBondContact O-N 3.02Å; K453-S457 PolarHBondContact O-N 3.46Å; K453-S457 PolarHBondContact O-OG 3.4Å
454	S	78.9	Confident	80.6	Confident	83 Å²	83	59.3 Å²	59.3	58%	0.58	31%	0.314	S	S	*	.	H	α-helix	trans	-66.5	-37.2	175.9	43.9	0	0	0	0	112.8	T452 S457 S458	T452-S454 VanDerWaalsContact C-N 3.27Å; T452-S454 PolarHBondContact O-N 2.69Å; T452-S454 PolarHBondContact OG1-OG 3.15Å; S454-S457 PolarHBondContact O-N 3.4Å; S454-S458 PolarHBondContact O-N 2.84Å
455	D	80.7	Confident	80.9	Confident	13 Å²	13	53.1 Å²	53.1	7%	0.07	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-46.4	177.3	-55	-28.3	0	0	0	110.3	Q422 L451 T452 S457 S458 F459	Q422-D455 HydrophobicContact CG-CB 4.31Å; Q422-D455 PolarHBondContact NE2-OD1 3.4Å; L451-D455 HydrophobicContact CD2-CB 4.06Å; T452-D455 WeakPolarHBondContact CB-OD2 3.33Å; T452-D455 PolarHBondContact N-OD2 2.96Å; T452-D455 PolarHBondContact O-N 3.42Å; T452-D455 VanDerWaalsContact O-N 3.14Å; T452-D455 PolarHBondContact OG1-N 3.14Å; T452-D455 PolarHBondContact OG1-OD1 3.22Å; T452-D455 PolarHBondContact OG1-OD2 3.48Å; D455-S457 VanDerWaalsContact C-N 3.35Å; D455-S457 PolarHBondContact O-N 3.19Å; D455-S458 WeakPolarHBondContact O-CB 3.42Å; D455-S458 PolarHBondContact O-N 3.29Å; D455-S458 VanDerWaalsContact O-N 3.15Å; D455-F459 WeakPolarHBondContact O-CD2 3.16Å; D455-F459 PolarHBondContact O-N 3.3Å
456	V	82.7	Confident	81.1	Confident	7 Å²	7	54.6 Å²	54.6	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-41	176.9	179	0	0	0	0	111.3	L446 L451 T452 K453 S458 F459 L460 Y475	L446-V456 HydrophobicContact CD1-CG2 4.12Å; L451-V456 HydrophobicContact CB-CG2 4.3Å; T452-V456 WeakPolarHBondContact O-CG2 3.48Å; T452-V456 PolarHBondContact O-N 3.48Å; T452-V456 VanDerWaalsContact O-N 3.11Å; K453-V456 PolarHBondContact O-N 3.02Å; V456-S458 VanDerWaalsContact C-N 3.26Å; V456-S458 PolarHBondContact O-N 2.83Å; V456-F459 PolarHBondContact O-N 2.83Å; V456-L460 HydrophobicContact CG1-CD1 4.16Å; V456-L460 HydrophobicContact CG1-CG 4.43Å; V456-L460 WeakPolarHBondContact O-CG 3.32Å; V456-L460 PolarHBondContact O-N 3.02Å; V456-Y475 HydrophobicContact CG1-CD1 3.79Å; V456-Y475 HydrophobicContact CG1-CE1 3.4Å
457	S	81.9	Confident	81	Confident	67 Å²	67	58.5 Å²	58.5	47%	0.469	31%	0.307	S	S	.	.	H	α-helix	trans	-59.9	-34.3	174.1	-68.8	0	0	0	0	113.2	K453 S454 D455 G461	K453-S457 PolarHBondContact O-N 3.46Å; K453-S457 PolarHBondContact O-OG 3.4Å; S454-S457 PolarHBondContact O-N 3.4Å; D455-S457 VanDerWaalsContact C-N 3.35Å; D455-S457 PolarHBondContact O-N 3.19Å; S457-G461 PolarHBondContact O-N 3.44Å
458	S	80.5	Confident	80.5	Confident	19 Å²	19	52.3 Å²	52.3	13%	0.133	29%	0.285	C	S	.	.	H	α-helix	trans	-66.3	-42.8	174.8	-161.3	0	0	0	0	111.9	R416 S454 D455 V456 L460 G461 N462	R416-S458 PolarHBondContact O-OG 3.15Å; S454-S458 PolarHBondContact O-N 2.84Å; D455-S458 WeakPolarHBondContact O-CB 3.42Å; D455-S458 PolarHBondContact O-N 3.29Å; D455-S458 VanDerWaalsContact O-N 3.15Å; V456-S458 VanDerWaalsContact C-N 3.26Å; V456-S458 PolarHBondContact O-N 2.83Å; S458-L460 VanDerWaalsContact C-N 3.34Å; S458-G461 PolarHBondContact O-N 3.08Å; S458-N462 PolarHBondContact O-N 2.8Å; S458-N462 PolarHBondContact O-ND2 3.24Å
459	F	83.1	Confident	79.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-71.5	-29	178.9	-60.4	-48.6	0	0	0	113.4	P418 Q422 L426 L451 D455 V456 N463 I464 I465	P418-F459 HydrophobicContact CB-CE1 3.75Å; P418-F459 HydrophobicContact CB-CZ 4.34Å; P418-F459 HydrophobicContact CG-CE1 4.28Å; Q422-F459 HydrophobicContact CB-CZ 4.04Å; L426-F459 HydrophobicContact CB-CE1 4.45Å; L426-F459 HydrophobicContact CB-CE2 4.15Å; L426-F459 HydrophobicContact CB-CZ 3.87Å; L426-F459 HydrophobicContact CD1-CD2 4.37Å; L426-F459 HydrophobicContact CD1-CE2 4.33Å; L426-F459 HydrophobicContact CD2-CD1 3.97Å; L426-F459 HydrophobicContact CD2-CE1 3.72Å; L426-F459 HydrophobicContact CD2-CE2 4.43Å; L426-F459 HydrophobicContact CD2-CG 4.42Å; L426-F459 HydrophobicContact CD2-CZ 3.97Å; L426-F459 HydrophobicContact CG-CZ 4.37Å; L451-F459 HydrophobicContact CD2-CE2 3.91Å; D455-F459 WeakPolarHBondContact O-CD2 3.16Å; D455-F459 PolarHBondContact O-N 3.3Å; V456-F459 PolarHBondContact O-N 2.83Å; F459-N463 PolarHBondContact O-N 3.07Å; F459-I464 HydrophobicContact CB-CB 4.47Å; F459-I464 HydrophobicContact CD1-CD1 3.9Å; F459-I464 PolarHBondContact O-N 2.94Å; F459-I465 HydrophobicContact CB-CB 4.39Å; F459-I465 HydrophobicContact CB-CD1 4.12Å; F459-I465 HydrophobicContact CB-CG1 4.2Å; F459-I465 HydrophobicContact CD2-CD1 4.36Å; F459-I465 PolarHBondContact O-N 2.92Å
460	L	81.9	Confident	78.9	Confident	50 Å²	50	49.3 Å²	49.3	26%	0.262	29%	0.288	S	S	.	.	H	α-helix	trans	-65.3	-47.6	169.7	-72.6	166.6	0	0	0	111	V456 S458 N462 N463 I465 K467 Y475	V456-L460 HydrophobicContact CG1-CD1 4.16Å; V456-L460 HydrophobicContact CG1-CG 4.43Å; V456-L460 WeakPolarHBondContact O-CG 3.32Å; V456-L460 PolarHBondContact O-N 3.02Å; S458-L460 VanDerWaalsContact C-N 3.34Å; L460-N462 PolarHBondContact O-N 3.28Å; L460-N463 PolarHBondContact O-N 3.21Å; L460-N463 VanDerWaalsContact O-N 3.17Å; L460-I465 WeakPolarHBondContact CD2-O 3.47Å; L460-K467 HydrophobicContact CD2-CB 3.92Å; L460-Y475 HydrophobicContact CD1-CE1 4.26Å
461	G	71.1	Confident	78.4	Confident	61 Å²	61	49.8 Å²	49.8	63%	0.629	28%	0.282	S	S	*	.	H	α-helix	trans	-62.7	-26.2	179.9	0	0	0	0	0	114.2	S457 S458	S457-G461 PolarHBondContact O-N 3.44Å; S458-G461 PolarHBondContact O-N 3.08Å
462	N	75.4	Confident	77.4	Confident	8 Å²	8	56.4 Å²	56.4	4%	0.043	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	9.4	179.3	-60.8	-28.4	0	0	0	113.5	F407 P415 R416 S458 L460 I464	F407-N462 HydrophobicContact CE1-CB 4.04Å; F407-N462 WeakPolarHBondContact CE1-ND2 3.48Å; P415-N462 VanDerWaalsContact CB-OD1 3.3Å; P415-N462 WeakPolarHBondContact CB-OD1 3.47Å; R416-N462 PolarHBondContact O-ND2 3.34Å; S458-N462 PolarHBondContact O-N 2.8Å; S458-N462 PolarHBondContact O-ND2 3.24Å; L460-N462 PolarHBondContact O-N 3.28Å; N462-I464 VanDerWaalsContact C-N 3.29Å; N462-I464 HydrophobicContact CB-CD1 4.34Å; N462-I464 HydrophobicContact CB-CG1 4.26Å; N462-I464 PolarHBondContact O-N 2.9Å
463	N	79.4	Confident	77.1	Confident	95 Å²	95	56.6 Å²	56.6	51%	0.508	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	38.6	-178.3	-65.1	-42	0	0	0	114.4	F459 L460 T478	F459-N463 PolarHBondContact O-N 3.07Å; L460-N463 PolarHBondContact O-N 3.21Å; L460-N463 VanDerWaalsContact O-N 3.17Å; N463-T478 HydrophobicContact CB-CG2 4.48Å; N463-T478 WeakPolarHBondContact O-CG2 3.2Å; N463-T478 PolarHBondContact O-OG1 3.13Å
464	I	83.6	Confident	77	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	-92.7	-44.3	172.4	-57.9	173.2	0	0	0	110.5	F407 L426 F459 N462 F477 T478 V482 F486	F407-I464 HydrophobicContact CE1-CD1 4.35Å; F407-I464 HydrophobicContact CE2-CD1 4.45Å; F407-I464 HydrophobicContact CZ-CD1 3.59Å; F407-I464 HydrophobicContact CZ-CG1 4.4Å; L426-I464 HydrophobicContact CD2-CD1 4.49Å; L426-I464 HydrophobicContact CD2-CG2 3.97Å; F459-I464 HydrophobicContact CB-CB 4.47Å; F459-I464 HydrophobicContact CD1-CD1 3.9Å; F459-I464 PolarHBondContact O-N 2.94Å; N462-I464 VanDerWaalsContact C-N 3.29Å; N462-I464 HydrophobicContact CB-CD1 4.34Å; N462-I464 HydrophobicContact CB-CG1 4.26Å; N462-I464 PolarHBondContact O-N 2.9Å; I464-F477 HydrophobicContact CG2-CD1 4.17Å; I464-F477 HydrophobicContact CG2-CE1 4.16Å; I464-T478 PolarHBondContact O-N 2.92Å; I464-T478 VanDerWaalsContact O-N 3.08Å; I464-T478 PolarHBondContact O-OG1 3.07Å; I464-V482 HydrophobicContact CG2-CG1 4.27Å; I464-F486 HydrophobicContact CD1-CE2 4.49Å; I464-F486 HydrophobicContact CD1-CZ 4.08Å; I464-F486 HydrophobicContact CG2-CD2 4.14Å; I464-F486 HydrophobicContact CG2-CE2 3.51Å; I464-F486 HydrophobicContact CG2-CZ 4.11Å
465	I	85.4	Confident	77.3	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.6	175.6	-60.1	179.8	0	0	0	107.2	L426 F459 L460 Y475 V476 F477	L426-I465 HydrophobicContact CD1-CD1 3.72Å; L426-I465 HydrophobicContact CD1-CG1 4.37Å; F459-I465 HydrophobicContact CB-CB 4.39Å; F459-I465 HydrophobicContact CB-CD1 4.12Å; F459-I465 HydrophobicContact CB-CG1 4.2Å; F459-I465 HydrophobicContact CD2-CD1 4.36Å; F459-I465 PolarHBondContact O-N 2.92Å; L460-I465 WeakPolarHBondContact CD2-O 3.47Å; I465-Y475 HydrophobicContact CG2-CD1 4.12Å; I465-Y475 HydrophobicContact CG2-CG 4.37Å; I465-V476 CarbonylContact C-O 3.55Å; I465-V476 VanDerWaalsContact CA-O 3.31Å; I465-V476 WeakPolarHBondContact CA-O 3.48Å; I465-V476 WeakPolarHBondContact CG2-O 3.37Å; I465-F477 HydrophobicContact CG1-CD1 4.38Å; I465-F477 HydrophobicContact CG1-CE1 4.37Å
466	Q	84.1	Confident	77.5	Confident	89 Å²	89	47 Å²	47	42%	0.416	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	146.6	170.2	-70	176.3	-11.2	0	0	110.1	Y475 V476 T478	Q466-Y475 WeakPolarHBondContact O-CA 3.35Å; Q466-V476 HydrophobicContact CB-CG2 4.23Å; Q466-V476 PolarHBondContact N-O 3.26Å; Q466-V476 PolarHBondContact O-N 3.24Å; Q466-T478 HydrophobicContact CG-CG2 3.71Å
467	K	81.5	Confident	77.7	Confident	86 Å²	86	47.3 Å²	47.3	37%	0.374	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	135.8	169.8	-171.7	-177.1	172.9	-173	0	108.3	L460 E472 Y475	L460-K467 HydrophobicContact CD2-CB 3.92Å; K467-E472 WeakPolarHBondContact CE-O 3.48Å; K467-Y475 HydrophobicContact CB-CD1 4.48Å; K467-Y475 HydrophobicContact CB-CE1 4.4Å; K467-Y475 HydrophobicContact CG-CE1 4.27Å
468	D	72	Confident	77.9	Confident	22 Å²	22	44.8 Å²	44.8	12%	0.118	24%	0.243	C	C	.	.			trans	-62.3	136	173	-168	-67.9	0	0	0	110.6	R218 E470 Y471 C474	R218-D468 IonicContact CZ-OD2 3.75Å; R218-D468 IonicContact NE-OD2 2.78Å; R218-D468 IonicContact NH1-OD2 3.48Å; R218-D468 PolarHBondContact NH1-OD2 3.31Å; D468-E470 WeakPolarHBondContact OD1-CA 3.46Å; D468-E470 WeakPolarHBondContact OD1-CB 3.41Å; D468-E470 PolarHBondContact OD1-N 3.16Å; D468-Y471 WeakPolarHBondContact OD1-CD2 3.3Å; D468-Y471 PolarHBondContact OD1-N 3.29Å; D468-C474 HydrophobicContact CB-CB 3.73Å; D468-C474 PolarHBondContact N-O 3.34Å
469	T	64.3	Low	77.9	Confident	117 Å²	117	44.6 Å²	44.6	72%	0.718	24%	0.24	S	C	*	.	S	Bend	trans	-76.6	-25	-177.8	51.7	0	0	0	0	113.1
470	E	63.3	Low	78.1	Confident	73 Å²	73	46.2 Å²	46.2	34%	0.341	25%	0.248	S	C	.	.	S	Bend	trans	-100.3	-28.7	-175.3	-68.9	162.3	-146.8	0	0	111.4	K140 R193 D468	K140-E470 VanDerWaalsContact CE-OE1 3.23Å; K140-E470 WeakPolarHBondContact CE-OE1 3.32Å; K140-E470 IonicContact NZ-OE1 2.65Å; K140-E470 PolarHBondContact NZ-OE1 2.71Å; R193-E470 IonicContact CZ-OE1 3.18Å; R193-E470 IonicContact CZ-OE2 3.48Å; R193-E470 IonicContact NH1-OE1 3.97Å; R193-E470 PolarHBondContact NH1-OE1 2.71Å; R193-E470 IonicContact NH1-OE2 3.99Å; R193-E470 IonicContact NH2-OE1 3.54Å; R193-E470 PolarHBondContact NH2-OE1 2.88Å; R193-E470 VanDerWaalsContact NH2-OE1 3.08Å; R193-E470 IonicContact NH2-OE2 3.76Å; R193-E470 PolarHBondContact NH2-OE2 3.4Å; D468-E470 WeakPolarHBondContact OD1-CA 3.46Å; D468-E470 WeakPolarHBondContact OD1-CB 3.41Å; D468-E470 PolarHBondContact OD1-N 3.16Å
471	Y	69.4	Low	78.5	Confident	36 Å²	36	45 Å²	45	14%	0.141	24%	0.242	C	C	.	.			trans	-124.2	113.8	-176.7	-54.6	-76.8	0	0	0	113.5	R218 E219 D468 N473 C474	R218-Y471 HydrophobicContact CB-CD2 4.11Å; R218-Y471 HydrophobicContact CB-CE2 4.04Å; E219-Y471 HydrophobicContact CB-CE1 4.03Å; E219-Y471 WeakPolarHBondContact CB-OH 3.25Å; E219-Y471 HydrophobicContact CG-CE1 4.05Å; E219-Y471 PolarHBondContact OE2-OH 3.22Å; D468-Y471 WeakPolarHBondContact OD1-CD2 3.3Å; D468-Y471 PolarHBondContact OD1-N 3.29Å; Y471-N473 PolarHBondContact O-N 2.89Å; Y471-C474 PolarHBondContact O-N 3.49Å
472	E	63.3	Low	79.5	Confident	142 Å²	142	42.1 Å²	42.1	66%	0.664	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-11.9	-165.2	-148.8	-173.1	159.8	0	0	116	K467	K467-E472 WeakPolarHBondContact CE-O 3.48Å
473	N	75.9	Confident	80.4	Confident	70 Å²	70	41.9 Å²	41.9	37%	0.374	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	9.3	-175.6	-69.2	-49.3	0	0	0	115	Y442 R443 Y471	Y442-N473 WeakPolarHBondContact CA-O 3.38Å; R443-N473 HydrophobicContact CB-CB 4.28Å; R443-N473 PolarHBondContact N-O 2.84Å; Y471-N473 PolarHBondContact O-N 2.89Å
474	C	79	Confident	81.1	Confident	1 Å²	1	38 Å²	38	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.3	-178.2	-63.5	0	0	0	0	111.6	V440 Y442 D468 Y471	V440-C474 HydrophobicContact CG1-CB 4.27Å; Y442-C474 WeakPolarHBondContact CE1-SG 3.49Å; D468-C474 HydrophobicContact CB-CB 3.73Å; D468-C474 PolarHBondContact N-O 3.34Å; Y471-C474 PolarHBondContact O-N 3.49Å
475	Y	84.9	Confident	81.7	Confident	12 Å²	12	38 Å²	38	5%	0.047	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137	179.4	-59.9	-84.1	0	0	0	110.5	F441 R443 L446 V456 L460 I465 Q466 K467	F441-Y475 PolarHBondContact N-O 3.49Å; F441-Y475 WeakPolarHBondContact O-CB 3.08Å; F441-Y475 WeakPolarHBondContact O-CD2 3.49Å; F441-Y475 PolarHBondContact O-N 3.48Å; R443-Y475 HydrophobicContact CB-CE2 4.06Å; L446-Y475 HydrophobicContact CD1-CD2 3.46Å; L446-Y475 VanDerWaalsContact CD1-CD2 3.46Å; L446-Y475 HydrophobicContact CD1-CE2 4.07Å; L446-Y475 HydrophobicContact CD1-CG 3.8Å; V456-Y475 HydrophobicContact CG1-CD1 3.79Å; V456-Y475 HydrophobicContact CG1-CE1 3.4Å; L460-Y475 HydrophobicContact CD1-CE1 4.26Å; I465-Y475 HydrophobicContact CG2-CD1 4.12Å; I465-Y475 HydrophobicContact CG2-CG 4.37Å; Q466-Y475 WeakPolarHBondContact O-CA 3.35Å; K467-Y475 HydrophobicContact CB-CD1 4.48Å; K467-Y475 HydrophobicContact CB-CE1 4.4Å; K467-Y475 HydrophobicContact CG-CE1 4.27Å
476	V	85.2	Confident	82.1	Confident	25 Å²	25	37.7 Å²	37.7	15%	0.152	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.1	177.5	-65.2	0	0	0	0	109.7	V440 I465 Q466	V440-V476 HydrophobicContact CB-CG1 4.43Å; V440-V476 HydrophobicContact CG1-CG1 4.43Å; V440-V476 HydrophobicContact CG2-CG1 3.99Å; I465-V476 CarbonylContact C-O 3.55Å; I465-V476 VanDerWaalsContact CA-O 3.31Å; I465-V476 WeakPolarHBondContact CA-O 3.48Å; I465-V476 WeakPolarHBondContact CG2-O 3.37Å; Q466-V476 HydrophobicContact CB-CG2 4.23Å; Q466-V476 PolarHBondContact N-O 3.26Å; Q466-V476 PolarHBondContact O-N 3.24Å
477	F	87.4	Confident	82.6	Confident	14 Å²	14	33.4 Å²	33.4	6%	0.061	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	147.7	166.9	-75.1	-92.5	0	0	0	109.7	L426 A430 F441 I464 I465 H479 V482 Q483 F486	L426-F477 HydrophobicContact CD1-CE1 3.88Å; L426-F477 HydrophobicContact CD1-CZ 3.74Å; L426-F477 HydrophobicContact CG-CE1 4.37Å; L426-F477 HydrophobicContact CG-CZ 4.43Å; A430-F477 HydrophobicContact CB-CE2 4.38Å; A430-F477 HydrophobicContact CB-CZ 3.86Å; F441-F477 HydrophobicContact CD2-CD2 4.34Å; F441-F477 HydrophobicContact CD2-CE2 4.21Å; F441-F477 AromaticContact CE2-CD2 3.71Å; F441-F477 HydrophobicContact CE2-CD2 3.71Å; F441-F477 AromaticContact CE2-CE2 3.54Å; F441-F477 HydrophobicContact CE2-CE2 3.54Å; F441-F477 HydrophobicContact CZ-CE2 4.07Å; I464-F477 HydrophobicContact CG2-CD1 4.17Å; I464-F477 HydrophobicContact CG2-CE1 4.16Å; I465-F477 HydrophobicContact CG1-CD1 4.38Å; I465-F477 HydrophobicContact CG1-CE1 4.37Å; F477-H479 PolarHBondContact O-N 2.96Å; F477-V482 HydrophobicContact CD1-CG1 4.12Å; F477-Q483 HydrophobicContact CB-CB 3.99Å; F477-Q483 HydrophobicContact CD1-CB 4.16Å; F477-Q483 HydrophobicContact CD2-CB 3.62Å; F477-Q483 HydrophobicContact CD2-CG 3.56Å; F477-Q483 HydrophobicContact CE2-CB 4.11Å; F477-Q483 HydrophobicContact CE2-CG 3.64Å; F477-Q483 HydrophobicContact CG-CB 3.65Å; F477-Q483 HydrophobicContact CG-CG 4.12Å; F477-Q483 HydrophobicContact CZ-CG 4.23Å; F477-F486 HydrophobicContact CE1-CD2 4.22Å
478	T	84.3	Confident	83.2	Confident	14 Å²	14	29.3 Å²	29.3	9%	0.086	15%	0.15	C	C	.	.	S	Bend	trans	-54.1	-38.2	176.7	41	0	0	0	0	112.5	L369 N463 I464 Q466	L369-T478 WeakPolarHBondContact CD2-O 3.43Å; N463-T478 HydrophobicContact CB-CG2 4.48Å; N463-T478 WeakPolarHBondContact O-CG2 3.2Å; N463-T478 PolarHBondContact O-OG1 3.13Å; I464-T478 PolarHBondContact O-N 2.92Å; I464-T478 VanDerWaalsContact O-N 3.08Å; I464-T478 PolarHBondContact O-OG1 3.07Å; Q466-T478 HydrophobicContact CG-CG2 3.71Å
479	H	82	Confident	84.2	Confident	16 Å²	16	28.3 Å²	28.3	7%	0.074	14%	0.144	C	C	.	.	S	Bend	trans	-142.5	150.8	175.2	-166.2	-90.9	0	0	0	111.2	V370 F477 H481 V482 Q483	V370-H479 WeakPolarHBondContact CG2-CE1 3.32Å; V370-H479 WeakPolarHBondContact CG2-NE2 3.36Å; F477-H479 PolarHBondContact O-N 2.96Å; H479-H481 VanDerWaalsContact C-N 3.32Å; H479-H481 AromaticContact CE1-CD2 3.07Å; H479-H481 PolarHBondContact CE1-CD2 3.49Å; H479-H481 AromaticContact CE1-CG 3.45Å; H479-H481 VanDerWaalsContact CE1-CG 3.45Å; H479-H481 PolarHBondContact CE1-N 3.21Å; H479-H481 AromaticContact CE1-NE2 3.57Å; H479-H481 VanDerWaalsContact ND1-CB 3.32Å; H479-H481 WeakPolarHBondContact ND1-CB 3.46Å; H479-H481 AromaticContact ND1-CD2 3.38Å; H479-H481 PolarHBondContact ND1-CD2 3.19Å; H479-H481 AromaticContact ND1-CG 3.42Å; H479-H481 PolarHBondContact ND1-N 2.85Å; H479-H481 PolarHBondContact O-N 3.44Å; H479-V482 HydrophobicContact CB-CB 4.39Å; H479-V482 HydrophobicContact CB-CG2 3.95Å; H479-V482 WeakPolarHBondContact O-CB 3.36Å; H479-V482 PolarHBondContact O-N 3.41Å; H479-Q483 PolarHBondContact O-N 3.23Å
480	L	86.7	Confident	85.5	Confident	33 Å²	33	24 Å²	24	17%	0.173	12%	0.116	C	C	.	.	H	α-helix	trans	-56.7	-46.2	174.7	175.1	59	0	0	0	111.7	A184 I434 Y439 V482 Q483 E484	A184-L480 HydrophobicContact CB-CB 3.98Å; A184-L480 HydrophobicContact CB-CD2 3.74Å; A184-L480 HydrophobicContact CB-CG 4.5Å; I434-L480 HydrophobicContact CD1-CD1 3.95Å; Y439-L480 HydrophobicContact CD1-CD1 3.62Å; Y439-L480 HydrophobicContact CE1-CD1 3.37Å; L480-V482 PolarHBondContact O-N 3.1Å; L480-Q483 WeakPolarHBondContact O-CA 3.29Å; L480-Q483 VanDerWaalsContact O-CB 3.3Å; L480-Q483 WeakPolarHBondContact O-CB 3.22Å; L480-Q483 PolarHBondContact O-N 3.46Å; L480-E484 HydrophobicContact CD1-CG 4.34Å; L480-E484 HydrophobicContact CG-CG 4.43Å; L480-E484 WeakPolarHBondContact O-CG 3.48Å; L480-E484 PolarHBondContact O-N 2.88Å
481	H	90.4	Very high	86.6	Confident	26 Å²	26	20.5 Å²	20.5	12%	0.12	10%	0.099	C	C	.	.	H	α-helix	trans	-61.8	-26.2	175.8	-55.8	-37.1	0	0	0	113.9	F399 H479 E484 F485 F530	F399-H481 HydrophobicContact CD1-CB 4.27Å; F399-H481 HydrophobicContact CE1-CB 3.49Å; F399-H481 VanDerWaalsContact CE1-CB 3.49Å; F399-H481 HydrophobicContact CE2-CB 4.11Å; F399-H481 HydrophobicContact CZ-CB 3.4Å; F399-H481 AromaticContact CZ-CD2 3.78Å; F399-H481 AromaticContact CZ-CG 3.91Å; H479-H481 VanDerWaalsContact C-N 3.32Å; H479-H481 AromaticContact CE1-CD2 3.07Å; H479-H481 PolarHBondContact CE1-CD2 3.49Å; H479-H481 AromaticContact CE1-CG 3.45Å; H479-H481 VanDerWaalsContact CE1-CG 3.45Å; H479-H481 PolarHBondContact CE1-N 3.21Å; H479-H481 AromaticContact CE1-NE2 3.57Å; H479-H481 VanDerWaalsContact ND1-CB 3.32Å; H479-H481 WeakPolarHBondContact ND1-CB 3.46Å; H479-H481 AromaticContact ND1-CD2 3.38Å; H479-H481 PolarHBondContact ND1-CD2 3.19Å; H479-H481 AromaticContact ND1-CG 3.42Å; H479-H481 PolarHBondContact ND1-N 2.85Å; H479-H481 PolarHBondContact O-N 3.44Å; H481-E484 WeakPolarHBondContact CA-OE2 3.27Å; H481-E484 IonicContact CE1-OE2 2.69Å; H481-E484 IonicContact CG-OE2 2.57Å; H481-E484 IonicContact ND1-OE2 3.71Å; H481-E484 PolarHBondContact ND1-OE2 3.25Å; H481-F485 VanDerWaalsContact O-CB 3.27Å; H481-F485 WeakPolarHBondContact O-CB 3.47Å; H481-F485 PolarHBondContact O-N 3.46Å; H481-F530 HydrophobicContact CB-CE2 4.25Å; H481-F530 HydrophobicContact CB-CZ 4.22Å; H481-F530 WeakPolarHBondContact O-CE2 3.48Å
482	V	92	Very high	87.5	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-69.4	-43.1	171.9	172.2	0	0	0	0	109.8	Y402 I403 I464 F477 H479 L480 F485 F486	Y402-V482 HydrophobicContact CD1-CG2 4.49Å; Y402-V482 HydrophobicContact CE1-CG2 3.91Å; I403-V482 HydrophobicContact CD1-CG1 3.99Å; I403-V482 HydrophobicContact CD1-CG2 4.21Å; I464-V482 HydrophobicContact CG2-CG1 4.27Å; F477-V482 HydrophobicContact CD1-CG1 4.12Å; H479-V482 HydrophobicContact CB-CB 4.39Å; H479-V482 HydrophobicContact CB-CG2 3.95Å; H479-V482 WeakPolarHBondContact O-CB 3.36Å; H479-V482 PolarHBondContact O-N 3.41Å; L480-V482 PolarHBondContact O-N 3.1Å; V482-F485 PolarHBondContact O-N 3.11Å; V482-F486 HydrophobicContact CG1-CD2 3.84Å; V482-F486 HydrophobicContact CG1-CE2 3.75Å; V482-F486 VanDerWaalsContact O-CD2 3.25Å; V482-F486 WeakPolarHBondContact O-CD2 3.46Å; V482-F486 PolarHBondContact O-N 3.37Å
483	Q	93.8	Very high	88.5	Confident	3 Å²	3	12.5 Å²	12.5	1%	0.014	6%	0.063	C	C	.	.	H	α-helix	trans	-60.1	-47.2	172.4	-172.8	178.4	-19.1	0	0	111.4	A430 I434 T438 F477 H479 L480 F485 F486 A487	A430-Q483 HydrophobicContact CB-CG 4.02Å; A430-Q483 WeakPolarHBondContact CB-O 3.22Å; I434-Q483 HydrophobicContact CD1-CB 4.25Å; I434-Q483 HydrophobicContact CD1-CG 3.76Å; I434-Q483 HydrophobicContact CG1-CG 4.07Å; T438-Q483 PolarHBondContact O-NE2 2.9Å; F477-Q483 HydrophobicContact CB-CB 3.99Å; F477-Q483 HydrophobicContact CD1-CB 4.16Å; F477-Q483 HydrophobicContact CD2-CB 3.62Å; F477-Q483 HydrophobicContact CD2-CG 3.56Å; F477-Q483 HydrophobicContact CE2-CB 4.11Å; F477-Q483 HydrophobicContact CE2-CG 3.64Å; F477-Q483 HydrophobicContact CG-CB 3.65Å; F477-Q483 HydrophobicContact CG-CG 4.12Å; F477-Q483 HydrophobicContact CZ-CG 4.23Å; H479-Q483 PolarHBondContact O-N 3.23Å; L480-Q483 WeakPolarHBondContact O-CA 3.29Å; L480-Q483 VanDerWaalsContact O-CB 3.3Å; L480-Q483 WeakPolarHBondContact O-CB 3.22Å; L480-Q483 PolarHBondContact O-N 3.46Å; Q483-F485 VanDerWaalsContact C-N 3.29Å; Q483-F485 PolarHBondContact O-N 3.2Å; Q483-F486 PolarHBondContact O-N 3.32Å; Q483-A487 VanDerWaalsContact O-CB 3.28Å; Q483-A487 WeakPolarHBondContact O-CB 3.32Å; Q483-A487 PolarHBondContact O-N 2.49Å
484	E	94.3	Very high	88.5	Confident	12 Å²	12	11.4 Å²	11.4	6%	0.056	6%	0.055	C	C	.	.	H	α-helix	trans	-62.3	-35.2	178.3	-67.2	166.7	156.4	0	0	112.5	I434 L480 H481 A487 A488 Q526 M527 F530	I434-E484 HydrophobicContact CD1-CG 3.57Å; I434-E484 HydrophobicContact CG1-CG 4.1Å; L480-E484 HydrophobicContact CD1-CG 4.34Å; L480-E484 HydrophobicContact CG-CG 4.43Å; L480-E484 WeakPolarHBondContact O-CG 3.48Å; L480-E484 PolarHBondContact O-N 2.88Å; H481-E484 WeakPolarHBondContact CA-OE2 3.27Å; H481-E484 IonicContact CE1-OE2 2.69Å; H481-E484 IonicContact CG-OE2 2.57Å; H481-E484 IonicContact ND1-OE2 3.71Å; H481-E484 PolarHBondContact ND1-OE2 3.25Å; E484-A487 WeakPolarHBondContact O-CB 3.46Å; E484-A487 PolarHBondContact O-N 2.73Å; E484-A488 PolarHBondContact O-N 3.27Å; E484-Q526 VanDerWaalsContact OE2-CB 3.32Å; E484-Q526 WeakPolarHBondContact OE2-CB 3.5Å; E484-Q526 WeakPolarHBondContact OE2-CG 3.38Å; E484-M527 HydrophobicContact CB-CB 4.43Å; E484-F530 HydrophobicContact CB-CD2 4.01Å; E484-F530 HydrophobicContact CB-CE2 3.93Å
485	F	95.4	Very high	87.4	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67.1	-48.2	176.1	-171.3	-87.8	0	0	0	111.8	T396 F399 I403 H481 V482 Q483 A487 A488 M489 F530 L534 L543	T396-F485 HydrophobicContact CG2-CE2 4.21Å; F399-F485 HydrophobicContact CB-CD2 3.79Å; F399-F485 HydrophobicContact CB-CE2 4.05Å; I403-F485 HydrophobicContact CB-CE1 4.31Å; I403-F485 HydrophobicContact CG1-CD1 3.91Å; I403-F485 HydrophobicContact CG1-CE1 4.02Å; I403-F485 HydrophobicContact CG1-CG 4.42Å; I403-F485 HydrophobicContact CG2-CE1 4.36Å; H481-F485 VanDerWaalsContact O-CB 3.27Å; H481-F485 WeakPolarHBondContact O-CB 3.47Å; H481-F485 PolarHBondContact O-N 3.46Å; V482-F485 PolarHBondContact O-N 3.11Å; Q483-F485 VanDerWaalsContact C-N 3.29Å; Q483-F485 PolarHBondContact O-N 3.2Å; F485-A487 VanDerWaalsContact C-N 3.26Å; F485-A487 PolarHBondContact O-N 2.86Å; F485-A488 WeakPolarHBondContact O-CB 3.41Å; F485-A488 PolarHBondContact O-N 3.46Å; F485-A488 VanDerWaalsContact O-N 3.16Å; F485-M489 HydrophobicContact CD1-CG 4.26Å; F485-M489 HydrophobicContact CD1-SD 3.93Å; F485-M489 HydrophobicContact CE1-CG 4.08Å; F485-M489 HydrophobicContact CE1-SD 3.58Å; F485-M489 VanDerWaalsContact CE1-SD 3.58Å; F485-M489 PolarHBondContact O-N 2.87Å; F485-F530 HydrophobicContact CB-CD2 3.97Å; F485-F530 HydrophobicContact CB-CE2 4.02Å; F485-F530 HydrophobicContact CB-CG 4.45Å; F485-F530 HydrophobicContact CD2-CB 4.36Å; F485-F530 AromaticContact CD2-CD1 3.84Å; F485-F530 HydrophobicContact CD2-CD1 3.84Å; F485-F530 HydrophobicContact CD2-CD2 4.25Å; F485-F530 HydrophobicContact CD2-CE1 4.12Å; F485-F530 HydrophobicContact CD2-CE2 4.48Å; F485-F530 AromaticContact CD2-CG 3.91Å; F485-F530 HydrophobicContact CD2-CG 3.91Å; F485-F530 HydrophobicContact CD2-CZ 4.43Å; F485-F530 HydrophobicContact CE2-CD1 4.48Å; F485-L534 HydrophobicContact CE2-CD2 4.3Å; F485-L534 HydrophobicContact CZ-CD2 4.05Å; F485-L543 HydrophobicContact CE1-CD1 4.25Å; F485-L543 HydrophobicContact CE1-CD2 4.33Å; F485-L543 HydrophobicContact CZ-CD1 3.99Å; F485-L543 HydrophobicContact CZ-CD2 4.26Å
486	F	94.3	Very high	86	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.8	-30.1	174.5	-78.1	-69.6	0	0	0	112.3	I403 L423 L426 C427 A430 I464 F477 V482 Q483 M489 F490 F547	I403-F486 HydrophobicContact CD1-CE2 3.98Å; I403-F486 HydrophobicContact CD1-CZ 4.37Å; I403-F486 HydrophobicContact CG2-CZ 4.25Å; L423-F486 HydrophobicContact CD1-CD1 4.16Å; L423-F486 HydrophobicContact CD1-CE1 3.75Å; L426-F486 HydrophobicContact CD2-CD1 4.19Å; L426-F486 HydrophobicContact CD2-CD2 4.47Å; L426-F486 HydrophobicContact CD2-CE1 4.16Å; L426-F486 HydrophobicContact CD2-CE2 4.46Å; L426-F486 HydrophobicContact CD2-CG 4.36Å; L426-F486 HydrophobicContact CD2-CZ 4.31Å; C427-F486 WeakPolarHBondContact CA-O 3.37Å; C427-F486 VanDerWaalsContact CB-O 3.3Å; C427-F486 WeakPolarHBondContact CB-O 3.4Å; A430-F486 HydrophobicContact CB-CB 3.82Å; I464-F486 HydrophobicContact CD1-CE2 4.49Å; I464-F486 HydrophobicContact CD1-CZ 4.08Å; I464-F486 HydrophobicContact CG2-CD2 4.14Å; I464-F486 HydrophobicContact CG2-CE2 3.51Å; I464-F486 HydrophobicContact CG2-CZ 4.11Å; F477-F486 HydrophobicContact CE1-CD2 4.22Å; V482-F486 HydrophobicContact CG1-CD2 3.84Å; V482-F486 HydrophobicContact CG1-CE2 3.75Å; V482-F486 VanDerWaalsContact O-CD2 3.25Å; V482-F486 WeakPolarHBondContact O-CD2 3.46Å; V482-F486 PolarHBondContact O-N 3.37Å; Q483-F486 PolarHBondContact O-N 3.32Å; F486-M489 HydrophobicContact CD1-SD 4Å; F486-M489 HydrophobicContact CE1-SD 4.15Å; F486-M489 PolarHBondContact O-N 3.03Å; F486-F490 PolarHBondContact O-N 3.11Å; F486-F490 VanDerWaalsContact O-N 3.09Å; F486-F547 HydrophobicContact CE1-CZ 4.03Å; F486-F547 HydrophobicContact CZ-CZ 4.24Å
487	A	94.3	Very high	84.4	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.3	-38.8	171.6	0	0	0	0	0	112.3	A430 A431 I434 Q483 E484 F485 F490 M527	A430-A487 HydrophobicContact CB-CB 4.21Å; A431-A487 HydrophobicContact CB-CB 4.17Å; I434-A487 HydrophobicContact CB-CB 4.46Å; I434-A487 HydrophobicContact CG1-CB 3.89Å; Q483-A487 VanDerWaalsContact O-CB 3.28Å; Q483-A487 WeakPolarHBondContact O-CB 3.32Å; Q483-A487 PolarHBondContact O-N 2.49Å; E484-A487 WeakPolarHBondContact O-CB 3.46Å; E484-A487 PolarHBondContact O-N 2.73Å; F485-A487 VanDerWaalsContact C-N 3.26Å; F485-A487 PolarHBondContact O-N 2.86Å; A487-F490 VanDerWaalsContact O-CB 3.29Å; A487-F490 WeakPolarHBondContact O-CB 3.32Å; A487-F490 PolarHBondContact O-N 3.38Å; A487-M527 HydrophobicContact CB-CG 3.94Å; A487-M527 HydrophobicContact CB-SD 3.58Å; A487-M527 VanDerWaalsContact CB-SD 3.58Å
488	A	94.6	Very high	82.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.6	-41.6	170.8	0	0	0	0	0	112.2	E484 F485 F490 Y491 M527 F530 L531 L534	E484-A488 PolarHBondContact O-N 3.27Å; F485-A488 WeakPolarHBondContact O-CB 3.41Å; F485-A488 PolarHBondContact O-N 3.46Å; F485-A488 VanDerWaalsContact O-N 3.16Å; A488-F490 PolarHBondContact O-N 2.88Å; A488-Y491 PolarHBondContact O-N 3.42Å; A488-M527 HydrophobicContact CB-CG 4.29Å; A488-F530 HydrophobicContact CB-CB 3.6Å; A488-L531 HydrophobicContact CB-CB 4.14Å; A488-L534 HydrophobicContact CB-CD1 4.16Å
489	M	92.6	Very high	80.2	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.5	-26.8	176.6	-73.4	-174.5	57.4	0	0	113.7	L423 F485 F486 Y491 M492 L493 L534 L543 F547 M551	L423-M489 HydrophobicContact CD1-CE 4.3Å; L423-M489 HydrophobicContact CD2-CE 4.15Å; F485-M489 HydrophobicContact CD1-CG 4.26Å; F485-M489 HydrophobicContact CD1-SD 3.93Å; F485-M489 HydrophobicContact CE1-CG 4.08Å; F485-M489 HydrophobicContact CE1-SD 3.58Å; F485-M489 VanDerWaalsContact CE1-SD 3.58Å; F485-M489 PolarHBondContact O-N 2.87Å; F486-M489 HydrophobicContact CD1-SD 4Å; F486-M489 HydrophobicContact CE1-SD 4.15Å; F486-M489 PolarHBondContact O-N 3.03Å; M489-Y491 PolarHBondContact O-N 2.94Å; M489-M492 PolarHBondContact O-N 2.79Å; M489-M492 VanDerWaalsContact O-N 3.12Å; M489-L493 HydrophobicContact CE-CD1 4.23Å; M489-L493 WeakPolarHBondContact O-CG 3.5Å; M489-L493 PolarHBondContact O-N 3.41Å; M489-L534 HydrophobicContact CG-CD1 3.8Å; M489-L543 HydrophobicContact SD-CD1 4.38Å; M489-F547 HydrophobicContact CE-CD2 4.08Å; M489-F547 HydrophobicContact CE-CE2 3.86Å; M489-F547 HydrophobicContact SD-CE2 4.22Å; M489-M551 HydrophobicContact CE-CE 3.42Å; M489-M551 VanDerWaalsContact CE-CE 3.42Å
490	F	91.4	Very high	78.3	Confident	27 Å²	27	34.4 Å²	34.4	12%	0.118	21%	0.21	C	C	.	.	H	α-helix	trans	-52.6	-45.8	174.3	169	-106.2	0	0	0	111.7	C427 H428 A431 F486 A487 A488 L493 K494 F507 E508	C427-F490 HydrophobicContact CB-CB 3.87Å; H428-F490 HydrophobicContact CB-CD2 4.03Å; H428-F490 HydrophobicContact CB-CE2 4Å; H428-F490 AromaticContact CD2-CE2 3.73Å; A431-F490 HydrophobicContact CB-CB 3.84Å; A431-F490 HydrophobicContact CB-CD1 3.79Å; A431-F490 HydrophobicContact CB-CD2 4.49Å; A431-F490 HydrophobicContact CB-CE1 4.47Å; A431-F490 HydrophobicContact CB-CG 3.79Å; F486-F490 PolarHBondContact O-N 3.11Å; F486-F490 VanDerWaalsContact O-N 3.09Å; A487-F490 VanDerWaalsContact O-CB 3.29Å; A487-F490 WeakPolarHBondContact O-CB 3.32Å; A487-F490 PolarHBondContact O-N 3.38Å; A488-F490 PolarHBondContact O-N 2.88Å; F490-L493 PolarHBondContact O-N 3.33Å; F490-K494 PolarHBondContact O-N 3.48Å; F490-F507 HydrophobicContact CE1-CD2 4.2Å; F490-F507 HydrophobicContact CE1-CE2 4.33Å; F490-F507 HydrophobicContact CZ-CD2 4.44Å; F490-F507 HydrophobicContact CZ-CE2 4.12Å; F490-E508 HydrophobicContact CZ-CG 4.45Å
491	Y	88.3	Confident	75.9	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.8	-46.2	178	-62.6	-79.1	0	0	0	110.1	W435 A488 M489 L493 K494 W497 F507 L510 L513 M527 L531	W435-Y491 PolarHBondContact NE1-OH 3.16Å; A488-Y491 PolarHBondContact O-N 3.42Å; M489-Y491 PolarHBondContact O-N 2.94Å; Y491-L493 PolarHBondContact O-N 3.14Å; Y491-L493 VanDerWaalsContact O-N 3.16Å; Y491-K494 WeakPolarHBondContact O-CB 3.45Å; Y491-K494 PolarHBondContact O-N 3.22Å; Y491-W497 WeakPolarHBondContact O-CH2 3.33Å; Y491-W497 VanDerWaalsContact O-CZ2 3.29Å; Y491-W497 WeakPolarHBondContact O-CZ2 3.34Å; Y491-F507 WeakPolarHBondContact CE1-O 3.34Å; Y491-F507 PolarHBondContact OH-O 3.18Å; Y491-L510 HydrophobicContact CD1-CD1 4.32Å; Y491-L513 HydrophobicContact CD2-CD2 4.42Å; Y491-L513 HydrophobicContact CE2-CD2 3.84Å; Y491-M527 HydrophobicContact CE2-CE 4.25Å; Y491-M527 HydrophobicContact CE2-SD 4.3Å; Y491-L531 HydrophobicContact CD2-CD1 4.38Å; Y491-L531 HydrophobicContact CD2-CD2 4.36Å; Y491-L531 HydrophobicContact CG-CD1 4.4Å
492	M	87.5	Confident	73.6	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-30.5	179.1	-66.3	-54	-51.7	0	0	115	M489 L531 L534 L535 V540 M551 S552 L553 I555	M489-M492 PolarHBondContact O-N 2.79Å; M489-M492 VanDerWaalsContact O-N 3.12Å; M492-L531 HydrophobicContact SD-CD1 4.46Å; M492-L534 HydrophobicContact CG-CB 4.11Å; M492-L534 HydrophobicContact CG-CD1 4.26Å; M492-L534 HydrophobicContact SD-CB 4.41Å; M492-L535 HydrophobicContact SD-CD2 4.49Å; M492-V540 HydrophobicContact CE-CG2 4.33Å; M492-M551 HydrophobicContact CE-CB 4.43Å; M492-S552 WeakPolarHBondContact CE-O 3.5Å; M492-S552 PolarHBondContact O-N 3.06Å; M492-L553 HydrophobicContact CE-CD2 4.12Å; M492-I555 HydrophobicContact CE-CG2 4.12Å; M492-I555 HydrophobicContact SD-CG2 3.67Å
493	L	84.9	Confident	71.5	Confident	8 Å²	8	47.6 Å²	47.6	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-92.7	-5.7	-176.7	-67.9	174.2	0	0	0	114	L423 R424 M489 F490 Y491 G495 C549 M551	L423-L493 HydrophobicContact CD2-CD1 3.99Å; L423-L493 HydrophobicContact CG-CD1 3.96Å; R424-L493 HydrophobicContact CG-CB 4.21Å; R424-L493 HydrophobicContact CG-CD1 4.37Å; R424-L493 PolarHBondContact NE-O 3.25Å; R424-L493 PolarHBondContact NH2-O 2.73Å; M489-L493 HydrophobicContact CE-CD1 4.23Å; M489-L493 WeakPolarHBondContact O-CG 3.5Å; M489-L493 PolarHBondContact O-N 3.41Å; F490-L493 PolarHBondContact O-N 3.33Å; Y491-L493 PolarHBondContact O-N 3.14Å; Y491-L493 VanDerWaalsContact O-N 3.16Å; L493-G495 PolarHBondContact O-N 3.05Å; L493-C549 VanDerWaalsContact CD2-SG 3.54Å; L493-M551 HydrophobicContact CD2-CG 3.92Å
494	K	74.4	Confident	69.4	Low	48 Å²	48	53.6 Å²	53.6	21%	0.209	33%	0.334	C	S	.	.			trans	-69.5	109.1	177.2	-162.1	167.8	-179.3	170.5	0	108.6	F490 Y491 W497 E508	F490-K494 PolarHBondContact O-N 3.48Å; Y491-K494 WeakPolarHBondContact O-CB 3.45Å; Y491-K494 PolarHBondContact O-N 3.22Å; K494-W497 HydrophobicContact CB-CE3 4.45Å; K494-W497 HydrophobicContact CB-CH2 3.93Å; K494-W497 HydrophobicContact CB-CZ2 3.9Å; K494-W497 HydrophobicContact CB-CZ3 4.16Å; K494-W497 HydrophobicContact CD-CZ2 4.39Å; K494-W497 VanDerWaalsContact O-CE3 3.3Å; K494-W497 WeakPolarHBondContact O-CZ3 3.38Å; K494-E508 PolarHBondContact NZ-O 2.89Å; K494-E508 IonicContact NZ-OE2 2.75Å
495	G	56.2	Low	67.7	Low	39 Å²	39	57.3 Å²	57.3	40%	0.402	35%	0.351	S	S	.	.			trans	-73.6	-34.4	-168.9	0	0	0	0	0	115	L493	L493-G495 PolarHBondContact O-N 3.05Å
496	N	55.5	Low	66	Low	125 Å²	125	61.3 Å²	61.3	67%	0.668	38%	0.377	S	S	*	.			trans	-130.1	115.6	-176.2	-69	-5.4	0	0	0	110.1	E498	N496-E498 VanDerWaalsContact C-N 3.32Å
497	W	51.8	Low	64.9	Low	65 Å²	65	61.7 Å²	61.7	25%	0.246	38%	0.379	C	S	.	.			trans	-97.4	23.9	166.5	-85	-90.5	0	0	0	111.7	Y491 K494 I555	Y491-W497 WeakPolarHBondContact O-CH2 3.33Å; Y491-W497 VanDerWaalsContact O-CZ2 3.29Å; Y491-W497 WeakPolarHBondContact O-CZ2 3.34Å; K494-W497 HydrophobicContact CB-CE3 4.45Å; K494-W497 HydrophobicContact CB-CH2 3.93Å; K494-W497 HydrophobicContact CB-CZ2 3.9Å; K494-W497 HydrophobicContact CB-CZ3 4.16Å; K494-W497 HydrophobicContact CD-CZ2 4.39Å; K494-W497 VanDerWaalsContact O-CE3 3.3Å; K494-W497 WeakPolarHBondContact O-CZ3 3.38Å; W497-I555 HydrophobicContact CH2-CB 4.16Å; W497-I555 HydrophobicContact CH2-CD1 4.19Å; W497-I555 HydrophobicContact CZ2-CD1 4.04Å
498	E	42.5	Very low	63.8	Low	154 Å²	154	64 Å²	64	72%	0.72	39%	0.39	S	S	*	.			trans	-81.7	150.3	-177.8	-69.2	-179.2	-177.4	0	0	112.2	N496 G500	N496-E498 VanDerWaalsContact C-N 3.32Å; E498-G500 VanDerWaalsContact C-N 3.26Å; E498-G500 PolarHBondContact O-N 3.49Å
499	A	41.1	Very low	62.9	Low	118 Å²	118	67.2 Å²	67.2	98%	0.975	41%	0.407	S	S	*	.	S	Bend	trans	-70.1	40.6	-157.8	0	0	0	0	0	117.5
500	G	42	Very low	62.2	Low	64 Å²	64	67.7 Å²	67.7	66%	0.66	41%	0.409	S	S	*	.	S	Bend	trans	-128.5	64.5	-169.3	0	0	0	0	0	115	E498	E498-G500 VanDerWaalsContact C-N 3.26Å; E498-G500 PolarHBondContact O-N 3.49Å
501	N	37.1	Very low	61.5	Low	151 Å²	151	70.8 Å²	70.8	81%	0.807	42%	0.423	S	S	*	.			trans	140.7	117.5	152.5	-86.1	-23.6	0	0	0	109.3	S503	N501-S503 PolarHBondContact O-N 3.14Å
502	P	40.9	Very low	61.1	Low	121 Å²	121	72.6 Å²	72.6	79%	0.786	44%	0.436	S	S	*	.			trans	-67.7	97.6	171.7	28.7	-31	0	0	0	108	C504	P502-C504 PolarHBondContact O-N 3.33Å
503	S	48.7	Very low	60.8	Low	63 Å²	63	72.6 Å²	72.6	44%	0.441	44%	0.436	S	S	.	.			trans	-69.4	121.4	166.4	51.3	0	0	0	0	108.4	N501 Q505 E508	N501-S503 PolarHBondContact O-N 3.14Å; S503-Q505 PolarHBondContact O-N 3.03Å; S503-E508 WeakPolarHBondContact CB-OE2 3.31Å; S503-E508 PolarHBondContact OG-OE2 3.45Å
504	C	48.5	Very low	60.4	Low	130 Å²	130	73.5 Å²	73.5	88%	0.878	44%	0.44	S	S	*	.	S	Bend	trans	-68.9	23.6	-171.6	-75.8	0	0	0	0	116.1	P502	P502-C504 PolarHBondContact O-N 3.33Å
505	Q	60.1	Low	60.5	Low	89 Å²	89	76.3 Å²	76.3	42%	0.416	45%	0.454	S	S	.	.			trans	-121	124.6	-175.7	-56.5	-146.7	-22.7	0	0	112.9	S503 F507 E508	S503-Q505 PolarHBondContact O-N 3.03Å; Q505-F507 HydrophobicContact CB-CD1 3.99Å; Q505-F507 HydrophobicContact CB-CE1 3.75Å; Q505-F507 HydrophobicContact CB-CZ 4.47Å; Q505-F507 HydrophobicContact CG-CE1 4.48Å; Q505-F507 PolarHBondContact O-N 3.22Å; Q505-F507 VanDerWaalsContact O-N 3.07Å; Q505-E508 PolarHBondContact O-N 3.3Å; Q505-E508 VanDerWaalsContact O-N 3.09Å
506	P	59.3	Low	61.5	Low	85 Å²	85	75.1 Å²	75.1	55%	0.552	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-53.8	-31.5	-173.9	-29.1	33.9	0	0	0	115.7	W435 E508 D509	W435-P506 HydrophobicContact CZ3-CB 4.36Å; P506-E508 VanDerWaalsContact C-N 3.28Å; P506-E508 PolarHBondContact O-N 2.98Å; P506-D509 PolarHBondContact O-N 2.92Å
507	F	70.8	Confident	62.2	Low	8 Å²	8	71.6 Å²	71.6	4%	0.035	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-73.5	-17.4	-177.2	73.4	-96.9	0	0	0	114.3	H428 K432 W435 F490 Y491 Q505 D509	H428-F507 AromaticContact CD2-CE2 3.68Å; H428-F507 AromaticContact CD2-CZ 3.97Å; H428-F507 AromaticContact NE2-CE2 3.58Å; H428-F507 AromaticContact NE2-CZ 3.43Å; H428-F507 WeakPolarHBondContact NE2-CZ 3.17Å; K432-F507 HydrophobicContact CB-CE1 4.2Å; K432-F507 HydrophobicContact CB-CZ 4.17Å; K432-F507 HydrophobicContact CD-CE1 4.07Å; K432-F507 HydrophobicContact CD-CZ 4.27Å; K432-F507 HydrophobicContact CG-CE1 4.08Å; K432-F507 HydrophobicContact CG-CZ 4.43Å; W435-F507 HydrophobicContact CB-CB 3.89Å; W435-F507 HydrophobicContact CD2-CB 3.5Å; W435-F507 VanDerWaalsContact CD2-CB 3.5Å; W435-F507 HydrophobicContact CE3-CB 4.31Å; W435-F507 HydrophobicContact CG-CB 3.28Å; W435-F507 HydrophobicContact CG-CG 4.39Å; W435-F507 HydrophobicContact CZ2-CB 4.36Å; F490-F507 HydrophobicContact CE1-CD2 4.2Å; F490-F507 HydrophobicContact CE1-CE2 4.33Å; F490-F507 HydrophobicContact CZ-CD2 4.44Å; F490-F507 HydrophobicContact CZ-CE2 4.12Å; Y491-F507 WeakPolarHBondContact CE1-O 3.34Å; Y491-F507 PolarHBondContact OH-O 3.18Å; Q505-F507 HydrophobicContact CB-CD1 3.99Å; Q505-F507 HydrophobicContact CB-CE1 3.75Å; Q505-F507 HydrophobicContact CB-CZ 4.47Å; Q505-F507 HydrophobicContact CG-CE1 4.48Å; Q505-F507 PolarHBondContact O-N 3.22Å; Q505-F507 VanDerWaalsContact O-N 3.07Å; F507-D509 VanDerWaalsContact C-N 3.31Å
508	E	71.9	Confident	62.9	Low	47 Å²	47	69.8 Å²	69.8	22%	0.22	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-82.6	-12.6	179.9	-68.4	-166.1	-165.2	0	0	113.4	F490 K494 S503 Q505 P506	F490-E508 HydrophobicContact CZ-CG 4.45Å; K494-E508 PolarHBondContact NZ-O 2.89Å; K494-E508 IonicContact NZ-OE2 2.75Å; S503-E508 WeakPolarHBondContact CB-OE2 3.31Å; S503-E508 PolarHBondContact OG-OE2 3.45Å; Q505-E508 PolarHBondContact O-N 3.3Å; Q505-E508 VanDerWaalsContact O-N 3.09Å; P506-E508 VanDerWaalsContact C-N 3.28Å; P506-E508 PolarHBondContact O-N 2.98Å
509	D	75.7	Confident	64.1	Low	69 Å²	69	71.1 Å²	71.1	37%	0.369	42%	0.42	S	S	.	.			trans	-96.4	120.2	177.7	176.2	29.4	0	0	0	111.7	P506 F507 K511 S512 L513	P506-D509 PolarHBondContact O-N 2.92Å; F507-D509 VanDerWaalsContact C-N 3.31Å; D509-K511 VanDerWaalsContact C-N 3.29Å; D509-K511 PolarHBondContact O-N 3.16Å; D509-K511 WeakPolarHBondContact OD1-CB 3.14Å; D509-K511 PolarHBondContact OD1-N 3.14Å; D509-S512 PolarHBondContact O-N 3.5Å; D509-S512 WeakPolarHBondContact OD2-CB 3.37Å; D509-S512 PolarHBondContact OD2-N 2.91Å; D509-S512 PolarHBondContact OD2-OG 3.31Å; D509-L513 PolarHBondContact O-N 3.34Å
510	L	77.3	Confident	65.5	Low	9 Å²	9	73 Å²	73	5%	0.047	41%	0.406	C	S	.	.	H	α-helix	trans	-68.8	-30	178.8	-173.6	65.8	0	0	0	112	Y491 L513 L514 L531 I555 K558 L559	Y491-L510 HydrophobicContact CD1-CD1 4.32Å; L510-L513 HydrophobicContact CD1-CD2 4.32Å; L510-L513 WeakPolarHBondContact O-CB 3.41Å; L510-L513 PolarHBondContact O-N 3.38Å; L510-L514 PolarHBondContact O-N 3.25Å; L510-L514 VanDerWaalsContact O-N 3.08Å; L510-L531 HydrophobicContact CD1-CD2 4Å; L510-I555 HydrophobicContact CD1-CD1 4.09Å; L510-I555 HydrophobicContact CD2-CD1 4.11Å; L510-I555 HydrophobicContact CD2-CG1 3.79Å; L510-K558 HydrophobicContact CD2-CB 3.95Å; L510-L559 HydrophobicContact CD1-CD2 4.05Å; L510-L559 HydrophobicContact CD2-CD2 3.8Å; L510-L559 HydrophobicContact CD2-CG 4.17Å; L510-L559 HydrophobicContact CG-CD2 4.05Å
511	K	76.4	Confident	67.1	Low	92 Å²	92	72 Å²	72	40%	0.4	39%	0.386	S	S	.	.	H	α-helix	trans	-66.7	-45.7	178.6	-177	179.2	177.2	-177	0	110.2	D509 L513 L514 Q515	D509-K511 VanDerWaalsContact C-N 3.29Å; D509-K511 PolarHBondContact O-N 3.16Å; D509-K511 WeakPolarHBondContact OD1-CB 3.14Å; D509-K511 PolarHBondContact OD1-N 3.14Å; K511-L513 VanDerWaalsContact C-N 3.25Å; K511-L513 PolarHBondContact O-N 3.44Å; K511-L514 PolarHBondContact O-N 3.39Å; K511-L514 VanDerWaalsContact O-N 3.12Å; K511-Q515 VanDerWaalsContact CE-NE2 3.35Å; K511-Q515 HydrophobicContact CG-CG 4.36Å; K511-Q515 WeakPolarHBondContact O-CB 3.22Å; K511-Q515 WeakPolarHBondContact O-CG 3.25Å; K511-Q515 PolarHBondContact O-N 3.13Å
512	S	79.9	Confident	69.1	Low	39 Å²	39	67.6 Å²	67.6	27%	0.273	37%	0.365	S	S	.	.	H	α-helix	trans	-55.5	-39	172	-63.9	0	0	0	0	112.4	D509 S516	D509-S512 PolarHBondContact O-N 3.5Å; D509-S512 WeakPolarHBondContact OD2-CB 3.37Å; D509-S512 PolarHBondContact OD2-N 2.91Å; D509-S512 PolarHBondContact OD2-OG 3.31Å; S512-S516 PolarHBondContact O-N 3.4Å
513	L	82.5	Confident	71.1	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-64.9	-43.8	174.7	-177.5	59.6	0	0	0	112.6	W435 Y491 D509 L510 K511 S516 L524 M527 K528 L531	W435-L513 HydrophobicContact CZ2-CB 3.95Å; W435-L513 HydrophobicContact CZ2-CD1 3.75Å; W435-L513 HydrophobicContact CZ2-CG 4.43Å; Y491-L513 HydrophobicContact CD2-CD2 4.42Å; Y491-L513 HydrophobicContact CE2-CD2 3.84Å; D509-L513 PolarHBondContact O-N 3.34Å; L510-L513 HydrophobicContact CD1-CD2 4.32Å; L510-L513 WeakPolarHBondContact O-CB 3.41Å; L510-L513 PolarHBondContact O-N 3.38Å; K511-L513 VanDerWaalsContact C-N 3.25Å; K511-L513 PolarHBondContact O-N 3.44Å; L513-S516 PolarHBondContact O-OG 3.42Å; L513-L524 HydrophobicContact CD1-CB 4.29Å; L513-L524 HydrophobicContact CD1-CD1 4.1Å; L513-M527 HydrophobicContact CD1-CE 3.32Å; L513-M527 HydrophobicContact CD2-CE 3.98Å; L513-M527 HydrophobicContact CG-CE 4.31Å; L513-K528 HydrophobicContact CD1-CD 4.44Å; L513-K528 HydrophobicContact CD1-CG 3.95Å; L513-K528 HydrophobicContact CG-CG 4.21Å; L513-K528 WeakPolarHBondContact O-CE 3.39Å; L513-K528 PolarHBondContact O-NZ 3.15Å; L513-L531 HydrophobicContact CD2-CD2 3.62Å
514	L	76.5	Confident	73	Confident	27 Å²	27	59.4 Å²	59.4	14%	0.141	31%	0.31	C	S	.	.	H	α-helix	trans	-72.1	-33.1	-179.6	-74.9	177	0	0	0	113	L510 K511 S516 F532 L559 C562 M563	L510-L514 PolarHBondContact O-N 3.25Å; L510-L514 VanDerWaalsContact O-N 3.08Å; K511-L514 PolarHBondContact O-N 3.39Å; K511-L514 VanDerWaalsContact O-N 3.12Å; L514-S516 VanDerWaalsContact C-N 3.32Å; L514-F532 HydrophobicContact CD2-CE2 3.86Å; L514-F532 HydrophobicContact CD2-CZ 3.92Å; L514-L559 HydrophobicContact CD1-CD2 3.61Å; L514-L559 HydrophobicContact CD2-CD2 4.01Å; L514-L559 HydrophobicContact CG-CD2 4.03Å; L514-C562 HydrophobicContact CD1-CB 3.28Å; L514-M563 HydrophobicContact CD2-CE 4.25Å
515	Q	76	Confident	74.9	Confident	106 Å²	106	58.3 Å²	58.3	50%	0.495	29%	0.287	S	S	.	.	H	α-helix	trans	-76	-18.3	179.1	-70.4	-177.9	-34.9	0	0	113.4	K511	K511-Q515 VanDerWaalsContact CE-NE2 3.35Å; K511-Q515 HydrophobicContact CG-CG 4.36Å; K511-Q515 WeakPolarHBondContact O-CB 3.22Å; K511-Q515 WeakPolarHBondContact O-CG 3.25Å; K511-Q515 PolarHBondContact O-N 3.13Å
516	S	77.7	Confident	76.3	Confident	15 Å²	15	54.8 Å²	54.8	11%	0.105	27%	0.27	C	S	.	.			trans	-66.3	136.6	174.3	65.5	0	0	0	0	111.1	S512 L513 L514 D521 L524 K528	S512-S516 PolarHBondContact O-N 3.4Å; L513-S516 PolarHBondContact O-OG 3.42Å; L514-S516 VanDerWaalsContact C-N 3.32Å; S516-D521 WeakPolarHBondContact CB-OD2 3.48Å; S516-L524 VanDerWaalsContact OG-CD1 3.3Å; S516-L524 WeakPolarHBondContact OG-CD1 3.47Å; S516-K528 PolarHBondContact O-NZ 2.93Å; S516-K528 VanDerWaalsContact OG-CE 3.26Å; S516-K528 WeakPolarHBondContact OG-CE 3.47Å; S516-K528 PolarHBondContact OG-NZ 3.12Å
517	T	70.1	Confident	77.9	Confident	50 Å²	50	50.7 Å²	50.7	31%	0.307	24%	0.244	S	C	.	.			trans	-101.5	144.5	-179.2	58.5	0	0	0	0	109.8	Y519 K520 D521	T517-Y519 PolarHBondContact O-N 2.79Å; T517-Y519 VanDerWaalsContact O-N 3.09Å; T517-K520 PolarHBondContact O-N 3.22Å; T517-K520 WeakPolarHBondContact OG1-CB 3.47Å; T517-K520 WeakPolarHBondContact OG1-CG 3.43Å; T517-K520 PolarHBondContact OG1-N 3.11Å; T517-D521 PolarHBondContact O-N 2.99Å
518	S	65.6	Low	79	Confident	28 Å²	28	50.7 Å²	50.7	20%	0.196	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.8	179	75.4	0	0	0	0	113.9	P522 E580	S518-P522 WeakPolarHBondContact O-CA 3.4Å; S518-P522 WeakPolarHBondContact O-CB 3.42Å; S518-P522 VanDerWaalsContact O-CD 3.3Å; S518-P522 WeakPolarHBondContact O-CD 3.44Å; S518-P522 VanDerWaalsContact O-N 3.07Å; S518-E580 VanDerWaalsContact CB-OE1 3.22Å; S518-E580 WeakPolarHBondContact CB-OE1 3.43Å; S518-E580 WeakPolarHBondContact CB-OE2 3.34Å; S518-E580 VanDerWaalsContact OG-CD 3.28Å; S518-E580 PolarHBondContact OG-OE1 3.12Å
519	Y	67.9	Low	80	Confident	181 Å²	181	48.5 Å²	48.5	71%	0.71	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-39.9	177.6	-179.6	-95.8	0	0	0	112.9	T517	T517-Y519 PolarHBondContact O-N 2.79Å; T517-Y519 VanDerWaalsContact O-N 3.09Å
520	K	70.5	Confident	80.9	Confident	157 Å²	157	45.2 Å²	45.2	68%	0.683	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-41.3	178	-68	-176.9	177.9	-178.8	0	111.4	T517 P522	T517-K520 PolarHBondContact O-N 3.22Å; T517-K520 WeakPolarHBondContact OG1-CB 3.47Å; T517-K520 WeakPolarHBondContact OG1-CG 3.43Å; T517-K520 PolarHBondContact OG1-N 3.11Å; K520-P522 VanDerWaalsContact C-CD 3.44Å; K520-P522 WeakPolarHBondContact O-CD 3.44Å
521	D	75.8	Confident	81.7	Confident	45 Å²	45	44.9 Å²	44.9	24%	0.241	22%	0.215	C	C	.	.			trans	-128.5	61.3	-171.3	-55.9	-73.4	0	0	0	112.1	S516 T517 Q523 L524	S516-D521 WeakPolarHBondContact CB-OD2 3.48Å; T517-D521 PolarHBondContact O-N 2.99Å; D521-Q523 VanDerWaalsContact CA-OE1 3.23Å; D521-Q523 PolarHBondContact O-N 2.89Å; D521-Q523 VanDerWaalsContact O-N 3.15Å; D521-L524 HydrophobicContact CB-CB 4.48Å; D521-L524 HydrophobicContact CB-CD1 3.65Å; D521-L524 HydrophobicContact CB-CG 3.97Å; D521-L524 PolarHBondContact O-N 2.95Å
522	P	79.4	Confident	82.6	Confident	58 Å²	58	40.5 Å²	40.5	38%	0.377	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-59.3	-29.2	-176.5	23.7	-34.1	0	0	0	113.1	T309 S518 K520 L524 R525	T309-P522 HydrophobicContact CG2-CG 4.17Å; S518-P522 WeakPolarHBondContact O-CA 3.4Å; S518-P522 WeakPolarHBondContact O-CB 3.42Å; S518-P522 VanDerWaalsContact O-CD 3.3Å; S518-P522 WeakPolarHBondContact O-CD 3.44Å; S518-P522 VanDerWaalsContact O-N 3.07Å; K520-P522 VanDerWaalsContact C-CD 3.44Å; K520-P522 WeakPolarHBondContact O-CD 3.44Å; P522-L524 PolarHBondContact O-N 3.07Å; P522-R525 WeakPolarHBondContact O-CB 3.16Å; P522-R525 PolarHBondContact O-N 3.19Å
523	Q	82.6	Confident	83.3	Confident	12 Å²	12	38.7 Å²	38.7	6%	0.056	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-62.8	-21.3	177.4	73.7	-75.3	6.5	0	0	113.7	T309 I434 M437 D521	T309-Q523 HydrophobicContact CG2-CB 4.5Å; I434-Q523 WeakPolarHBondContact CG2-O 3.22Å; I434-Q523 WeakPolarHBondContact O-CG 3.18Å; M437-Q523 HydrophobicContact CE-CB 4.38Å; M437-Q523 HydrophobicContact CE-CG 4.01Å; M437-Q523 HydrophobicContact CG-CG 4.14Å; D521-Q523 VanDerWaalsContact CA-OE1 3.23Å; D521-Q523 PolarHBondContact O-N 2.89Å; D521-Q523 VanDerWaalsContact O-N 3.15Å
524	L	88.4	Confident	83.9	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-86.9	-13.3	-179.3	-57.2	179.6	0	0	0	112.7	I434 W435 L513 S516 D521 P522 Q526 M527 K528	I434-L524 HydrophobicContact CG2-CD2 3.99Å; W435-L524 HydrophobicContact CD2-CD1 4.35Å; W435-L524 HydrophobicContact CD2-CD2 3.9Å; W435-L524 HydrophobicContact CE3-CD1 4.18Å; W435-L524 HydrophobicContact CE3-CD2 4.4Å; W435-L524 HydrophobicContact CG-CD2 4.08Å; W435-L524 HydrophobicContact CH2-CD1 3.91Å; W435-L524 HydrophobicContact CZ2-CD1 4.09Å; W435-L524 HydrophobicContact CZ2-CD2 4.5Å; W435-L524 HydrophobicContact CZ3-CD1 3.95Å; L513-L524 HydrophobicContact CD1-CB 4.29Å; L513-L524 HydrophobicContact CD1-CD1 4.1Å; S516-L524 VanDerWaalsContact OG-CD1 3.3Å; S516-L524 WeakPolarHBondContact OG-CD1 3.47Å; D521-L524 HydrophobicContact CB-CB 4.48Å; D521-L524 HydrophobicContact CB-CD1 3.65Å; D521-L524 HydrophobicContact CB-CG 3.97Å; D521-L524 PolarHBondContact O-N 2.95Å; P522-L524 PolarHBondContact O-N 3.07Å; L524-Q526 PolarHBondContact O-N 2.72Å; L524-M527 HydrophobicContact CB-CE 4.45Å; L524-M527 HydrophobicContact CD2-CE 3.7Å; L524-M527 PolarHBondContact O-N 3.13Å; L524-K528 WeakPolarHBondContact O-CG 3.46Å; L524-K528 PolarHBondContact O-N 2.88Å
525	R	88.5	Confident	84.7	Confident	107 Å²	107	37.3 Å²	37.3	40%	0.404	18%	0.176	S	C	.	.	H	α-helix	trans	-57.9	-52	-170	-168.7	-177.6	-159	-168.6	5	112.4	P522 K528 C529	P522-R525 WeakPolarHBondContact O-CB 3.16Å; P522-R525 PolarHBondContact O-N 3.19Å; R525-K528 WeakPolarHBondContact O-CB 3.39Å; R525-K528 PolarHBondContact O-N 3.32Å; R525-C529 PolarHBondContact O-N 3.29Å; R525-C529 VanDerWaalsContact O-N 3.09Å; R525-C529 PolarHBondContact O-SG 3.24Å
526	Q	90.3	Very high	85.6	Confident	14 Å²	14	33.6 Å²	33.6	7%	0.065	16%	0.159	C	C	.	.	H	α-helix	trans	-72.1	-35.5	-176.7	-173.2	56.5	35.8	0	0	112.3	M364 T395 E484 L524 K528 C529 F530	M364-Q526 HydrophobicContact CE-CG 4.32Å; T395-Q526 PolarHBondContact OG1-NE2 3.03Å; T395-Q526 VanDerWaalsContact OG1-NE2 3.15Å; E484-Q526 VanDerWaalsContact OE2-CB 3.32Å; E484-Q526 WeakPolarHBondContact OE2-CB 3.5Å; E484-Q526 WeakPolarHBondContact OE2-CG 3.38Å; L524-Q526 PolarHBondContact O-N 2.72Å; Q526-K528 VanDerWaalsContact C-N 3.29Å; Q526-K528 PolarHBondContact O-N 2.96Å; Q526-C529 WeakPolarHBondContact O-CB 2.97Å; Q526-C529 PolarHBondContact O-N 2.83Å; Q526-F530 HydrophobicContact CG-CD2 4.06Å; Q526-F530 HydrophobicContact CG-CE2 3.56Å; Q526-F530 HydrophobicContact CG-CZ 3.9Å; Q526-F530 WeakPolarHBondContact O-CD2 3.44Å; Q526-F530 WeakPolarHBondContact O-CG 3.47Å; Q526-F530 PolarHBondContact O-N 3.39Å
527	M	92.9	Very high	86.3	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.7	-39.4	171.8	-176.6	-173.6	72.3	0	0	111.5	I434 E484 A487 A488 Y491 L513 L524 F530 L531	I434-M527 HydrophobicContact CB-SD 4.47Å; I434-M527 HydrophobicContact CG2-SD 4.2Å; E484-M527 HydrophobicContact CB-CB 4.43Å; A487-M527 HydrophobicContact CB-CG 3.94Å; A487-M527 HydrophobicContact CB-SD 3.58Å; A487-M527 VanDerWaalsContact CB-SD 3.58Å; A488-M527 HydrophobicContact CB-CG 4.29Å; Y491-M527 HydrophobicContact CE2-CE 4.25Å; Y491-M527 HydrophobicContact CE2-SD 4.3Å; L513-M527 HydrophobicContact CD1-CE 3.32Å; L513-M527 HydrophobicContact CD2-CE 3.98Å; L513-M527 HydrophobicContact CG-CE 4.31Å; L524-M527 HydrophobicContact CB-CE 4.45Å; L524-M527 HydrophobicContact CD2-CE 3.7Å; L524-M527 PolarHBondContact O-N 3.13Å; M527-F530 PolarHBondContact O-N 3.37Å; M527-L531 WeakPolarHBondContact O-CB 3.41Å; M527-L531 PolarHBondContact O-N 2.93Å
528	K	92.1	Very high	87.3	Confident	7 Å²	7	40.4 Å²	40.4	3%	0.03	19%	0.189	C	C	.	.	H	α-helix	trans	-65.4	-43.2	173.6	-70.1	175.7	-172.5	-166.3	0	112.2	L513 S516 L524 R525 Q526 F530 L531 F532 Y584	L513-K528 HydrophobicContact CD1-CD 4.44Å; L513-K528 HydrophobicContact CD1-CG 3.95Å; L513-K528 HydrophobicContact CG-CG 4.21Å; L513-K528 WeakPolarHBondContact O-CE 3.39Å; L513-K528 PolarHBondContact O-NZ 3.15Å; S516-K528 PolarHBondContact O-NZ 2.93Å; S516-K528 VanDerWaalsContact OG-CE 3.26Å; S516-K528 WeakPolarHBondContact OG-CE 3.47Å; S516-K528 PolarHBondContact OG-NZ 3.12Å; L524-K528 WeakPolarHBondContact O-CG 3.46Å; L524-K528 PolarHBondContact O-N 2.88Å; R525-K528 WeakPolarHBondContact O-CB 3.39Å; R525-K528 PolarHBondContact O-N 3.32Å; Q526-K528 VanDerWaalsContact C-N 3.29Å; Q526-K528 PolarHBondContact O-N 2.96Å; K528-F530 VanDerWaalsContact C-N 3.32Å; K528-F530 PolarHBondContact O-N 2.75Å; K528-L531 PolarHBondContact O-N 3.45Å; K528-F532 WeakPolarHBondContact O-CD2 3.45Å; K528-F532 PolarHBondContact O-N 3.42Å; K528-Y584 HydrophobicContact CB-CD1 4.11Å; K528-Y584 HydrophobicContact CB-CE1 3.74Å; K528-Y584 HydrophobicContact CB-CE2 4.24Å; K528-Y584 HydrophobicContact CD-CE1 4.46Å; K528-Y584 HydrophobicContact CD-CE2 3.83Å; K528-Y584 WeakPolarHBondContact CD-OH 3.45Å
529	C	92.9	Very high	88.6	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-55	-49.5	173.6	-68.6	0	0	0	0	111	T396 R525 Q526 L531 F532 G533 E587	T396-C529 PolarHBondContact OG1-O 3.42Å; R525-C529 PolarHBondContact O-N 3.29Å; R525-C529 VanDerWaalsContact O-N 3.09Å; R525-C529 PolarHBondContact O-SG 3.24Å; Q526-C529 WeakPolarHBondContact O-CB 2.97Å; Q526-C529 PolarHBondContact O-N 2.83Å; C529-L531 PolarHBondContact O-N 3.1Å; C529-F532 PolarHBondContact O-N 2.97Å; C529-G533 PolarHBondContact O-N 3Å; C529-E587 HydrophobicContact CB-CG 4Å
530	F	95.7	Very high	89.7	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-44	175.7	-66.5	-39.3	0	0	0	112.6	T396 F399 H481 E484 F485 A488 Q526 M527 K528 F532 G533 L534	T396-F530 HydrophobicContact CG2-CD1 4.14Å; T396-F530 WeakPolarHBondContact OG1-CA 3.42Å; F399-F530 HydrophobicContact CB-CE1 3.81Å; F399-F530 HydrophobicContact CB-CZ 4.08Å; F399-F530 HydrophobicContact CD1-CZ 4.32Å; F399-F530 AromaticContact CD2-CE1 3.69Å; F399-F530 HydrophobicContact CD2-CE1 3.69Å; F399-F530 AromaticContact CD2-CZ 3.59Å; F399-F530 HydrophobicContact CD2-CZ 3.59Å; F399-F530 HydrophobicContact CE2-CZ 4.1Å; F399-F530 AromaticContact CG-CE1 3.88Å; F399-F530 HydrophobicContact CG-CE1 3.88Å; F399-F530 AromaticContact CG-CZ 3.72Å; F399-F530 HydrophobicContact CG-CZ 3.72Å; H481-F530 HydrophobicContact CB-CE2 4.25Å; H481-F530 HydrophobicContact CB-CZ 4.22Å; H481-F530 WeakPolarHBondContact O-CE2 3.48Å; E484-F530 HydrophobicContact CB-CD2 4.01Å; E484-F530 HydrophobicContact CB-CE2 3.93Å; F485-F530 HydrophobicContact CB-CD2 3.97Å; F485-F530 HydrophobicContact CB-CE2 4.02Å; F485-F530 HydrophobicContact CB-CG 4.45Å; F485-F530 HydrophobicContact CD2-CB 4.36Å; F485-F530 AromaticContact CD2-CD1 3.84Å; F485-F530 HydrophobicContact CD2-CD1 3.84Å; F485-F530 HydrophobicContact CD2-CD2 4.25Å; F485-F530 HydrophobicContact CD2-CE1 4.12Å; F485-F530 HydrophobicContact CD2-CE2 4.48Å; F485-F530 AromaticContact CD2-CG 3.91Å; F485-F530 HydrophobicContact CD2-CG 3.91Å; F485-F530 HydrophobicContact CD2-CZ 4.43Å; F485-F530 HydrophobicContact CE2-CD1 4.48Å; A488-F530 HydrophobicContact CB-CB 3.6Å; Q526-F530 HydrophobicContact CG-CD2 4.06Å; Q526-F530 HydrophobicContact CG-CE2 3.56Å; Q526-F530 HydrophobicContact CG-CZ 3.9Å; Q526-F530 WeakPolarHBondContact O-CD2 3.44Å; Q526-F530 WeakPolarHBondContact O-CG 3.47Å; Q526-F530 PolarHBondContact O-N 3.39Å; M527-F530 PolarHBondContact O-N 3.37Å; K528-F530 VanDerWaalsContact C-N 3.32Å; K528-F530 PolarHBondContact O-N 2.75Å; F530-F532 PolarHBondContact O-N 3.06Å; F530-G533 PolarHBondContact O-N 3.07Å; F530-L534 WeakPolarHBondContact O-CB 3.38Å; F530-L534 WeakPolarHBondContact O-CG 3.35Å; F530-L534 PolarHBondContact O-N 3.27Å
531	L	94.4	Very high	90.7	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-58.6	-48.1	178.8	-179.6	61.3	0	0	0	112	A488 Y491 M492 L510 L513 M527 K528 C529 L534 L535 I555	A488-L531 HydrophobicContact CB-CB 4.14Å; Y491-L531 HydrophobicContact CD2-CD1 4.38Å; Y491-L531 HydrophobicContact CD2-CD2 4.36Å; Y491-L531 HydrophobicContact CG-CD1 4.4Å; M492-L531 HydrophobicContact SD-CD1 4.46Å; L510-L531 HydrophobicContact CD1-CD2 4Å; L513-L531 HydrophobicContact CD2-CD2 3.62Å; M527-L531 WeakPolarHBondContact O-CB 3.41Å; M527-L531 PolarHBondContact O-N 2.93Å; K528-L531 PolarHBondContact O-N 3.45Å; C529-L531 PolarHBondContact O-N 3.1Å; L531-L534 PolarHBondContact O-N 3.41Å; L531-L535 PolarHBondContact O-N 3.21Å; L531-I555 HydrophobicContact CD1-CD1 3.87Å
532	F	94.9	Very high	91.4	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-67.2	-39.9	177.1	-85.9	-107.1	0	0	0	111.6	L514 K528 C529 F530 L534 L535 M563 Y584 L585 T588 F593	L514-F532 HydrophobicContact CD2-CE2 3.86Å; L514-F532 HydrophobicContact CD2-CZ 3.92Å; K528-F532 WeakPolarHBondContact O-CD2 3.45Å; K528-F532 PolarHBondContact O-N 3.42Å; C529-F532 PolarHBondContact O-N 2.97Å; F530-F532 PolarHBondContact O-N 3.06Å; F532-L534 PolarHBondContact O-N 2.93Å; F532-L535 HydrophobicContact CD1-CD1 4.12Å; F532-L535 HydrophobicContact CG-CD1 4.34Å; F532-L535 WeakPolarHBondContact O-CB 3.29Å; F532-L535 VanDerWaalsContact O-CG 3.3Å; F532-L535 WeakPolarHBondContact O-CG 3.45Å; F532-L535 PolarHBondContact O-N 3.33Å; F532-M563 HydrophobicContact CE1-CE 4.21Å; F532-M563 HydrophobicContact CZ-CE 3.8Å; F532-Y584 WeakPolarHBondContact CB-O 3.41Å; F532-Y584 HydrophobicContact CD2-CG 4.34Å; F532-Y584 HydrophobicContact CE2-CD2 4.42Å; F532-Y584 HydrophobicContact CE2-CG 4.46Å; F532-L585 HydrophobicContact CD1-CD2 4.39Å; F532-L585 HydrophobicContact CE1-CD2 4.11Å; F532-T588 HydrophobicContact CB-CG2 3.97Å; F532-T588 HydrophobicContact CD1-CG2 3.83Å; F532-T588 HydrophobicContact CG-CG2 4.4Å; F532-T588 WeakPolarHBondContact O-CG2 3.26Å; F532-F593 HydrophobicContact CD1-CE1 4.32Å; F532-F593 HydrophobicContact CE1-CE1 4.22Å
533	G	95.4	Very high	92	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.1	-31.1	175.3	0	0	0	0	0	113.5	C529 F530 L535 N536 R539 E587	C529-G533 PolarHBondContact O-N 3Å; F530-G533 PolarHBondContact O-N 3.07Å; G533-L535 PolarHBondContact O-N 3.49Å; G533-N536 VanDerWaalsContact O-CB 3.24Å; G533-N536 WeakPolarHBondContact O-CB 3.44Å; G533-N536 PolarHBondContact O-N 3.31Å; G533-R539 WeakPolarHBondContact O-CD 3.43Å; G533-R539 PolarHBondContact O-NH1 3.37Å; G533-E587 WeakPolarHBondContact CA-O 3.37Å
534	L	94.6	Very high	92.4	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	2.9	173.5	-67.6	179.3	0	0	0	113.5	T396 F485 A488 M489 M492 F530 L531 F532 N536 V540 L543	T396-L534 HydrophobicContact CG2-CD2 4.07Å; T396-L534 HydrophobicContact CG2-CG 4.1Å; F485-L534 HydrophobicContact CE2-CD2 4.3Å; F485-L534 HydrophobicContact CZ-CD2 4.05Å; A488-L534 HydrophobicContact CB-CD1 4.16Å; M489-L534 HydrophobicContact CG-CD1 3.8Å; M492-L534 HydrophobicContact CG-CB 4.11Å; M492-L534 HydrophobicContact CG-CD1 4.26Å; M492-L534 HydrophobicContact SD-CB 4.41Å; F530-L534 WeakPolarHBondContact O-CB 3.38Å; F530-L534 WeakPolarHBondContact O-CG 3.35Å; F530-L534 PolarHBondContact O-N 3.27Å; L531-L534 PolarHBondContact O-N 3.41Å; F532-L534 PolarHBondContact O-N 2.93Å; L534-N536 VanDerWaalsContact C-N 3.26Å; L534-V540 WeakPolarHBondContact O-CG2 3.38Å; L534-L543 HydrophobicContact CD2-CD1 3.46Å; L534-L543 VanDerWaalsContact CD2-CD1 3.46Å
535	L	93.3	Very high	92.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-13.6	164.6	-53.2	177.7	0	0	0	111.7	M492 L531 F532 G533 E537 I555 K556 L559 T588 F593	M492-L535 HydrophobicContact SD-CD2 4.49Å; L531-L535 PolarHBondContact O-N 3.21Å; F532-L535 HydrophobicContact CD1-CD1 4.12Å; F532-L535 HydrophobicContact CG-CD1 4.34Å; F532-L535 WeakPolarHBondContact O-CB 3.29Å; F532-L535 VanDerWaalsContact O-CG 3.3Å; F532-L535 WeakPolarHBondContact O-CG 3.45Å; F532-L535 PolarHBondContact O-N 3.33Å; G533-L535 PolarHBondContact O-N 3.49Å; L535-E537 PolarHBondContact O-N 3.32Å; L535-I555 HydrophobicContact CD2-CG2 3.49Å; L535-I555 VanDerWaalsContact CD2-CG2 3.49Å; L535-K556 HydrophobicContact CB-CG 4.21Å; L535-K556 HydrophobicContact CD1-CG 4.48Å; L535-K556 HydrophobicContact CD2-CG 4.03Å; L535-K556 HydrophobicContact CG-CG 4.46Å; L535-K556 WeakPolarHBondContact O-CE 3.29Å; L535-K556 PolarHBondContact O-NZ 3.42Å; L535-K556 VanDerWaalsContact O-NZ 3.08Å; L535-L559 HydrophobicContact CD1-CD1 3.44Å; L535-L559 VanDerWaalsContact CD1-CD1 3.44Å; L535-L559 HydrophobicContact CD2-CD1 3.94Å; L535-L559 HydrophobicContact CG-CD1 4.26Å; L535-T588 HydrophobicContact CD1-CG2 4.21Å; L535-F593 HydrophobicContact CD1-CE1 3.86Å; L535-F593 HydrophobicContact CD1-CZ 3.82Å
536	N	94	Very high	92.4	Very high	27 Å²	27	33.8 Å²	33.8	14%	0.144	15%	0.154	C	C	.	.	S	Bend	trans	-70.2	123.8	175.2	-172.5	-73.6	0	0	0	110.2	G533 L534 D538 R539 V540 T588	G533-N536 VanDerWaalsContact O-CB 3.24Å; G533-N536 WeakPolarHBondContact O-CB 3.44Å; G533-N536 PolarHBondContact O-N 3.31Å; L534-N536 VanDerWaalsContact C-N 3.26Å; N536-D538 VanDerWaalsContact C-N 3.32Å; N536-D538 PolarHBondContact O-N 3.33Å; N536-D538 PolarHBondContact OD1-N 2.88Å; N536-D538 VanDerWaalsContact OD1-N 3.09Å; N536-R539 HydrophobicContact CB-CB 4.33Å; N536-R539 HydrophobicContact CB-CG 4.08Å; N536-R539 PolarHBondContact O-N 3.05Å; N536-R539 PolarHBondContact OD1-N 3.5Å; N536-V540 WeakPolarHBondContact O-CG2 3.38Å; N536-V540 PolarHBondContact O-N 3.4Å; N536-V540 VanDerWaalsContact O-N 3.11Å; N536-T588 PolarHBondContact ND2-O 2.96Å
537	E	92.2	Very high	92.1	Very high	98 Å²	98	33.5 Å²	33.5	46%	0.458	15%	0.152	S	C	.	.	H	α-helix	trans	-64.8	-34.7	-172.8	-59.4	-166.8	174.3	0	0	113.3	L535 V540 K541 L553	L535-E537 PolarHBondContact O-N 3.32Å; E537-V540 PolarHBondContact O-N 3.08Å; E537-K541 WeakPolarHBondContact O-CB 3.45Å; E537-K541 VanDerWaalsContact O-CG 3.25Å; E537-K541 WeakPolarHBondContact O-CG 3.28Å; E537-K541 PolarHBondContact O-N 3.14Å; E537-K541 IonicContact OE2-NZ 2.98Å; E537-L553 HydrophobicContact CG-CD1 3.83Å
538	D	91.7	Very high	91.7	Very high	110 Å²	110	40.6 Å²	40.6	59%	0.588	19%	0.19	S	C	*	.	H	α-helix	trans	-71.3	-36.9	-177.2	-64.1	-31.8	0	0	0	111	N536 K541 Q542	N536-D538 VanDerWaalsContact C-N 3.32Å; N536-D538 PolarHBondContact O-N 3.33Å; N536-D538 PolarHBondContact OD1-N 2.88Å; N536-D538 VanDerWaalsContact OD1-N 3.09Å; D538-K541 PolarHBondContact O-N 3.25Å; D538-K541 IonicContact OD1-NZ 2.72Å; D538-Q542 WeakPolarHBondContact O-CB 3.38Å; D538-Q542 PolarHBondContact O-N 3.5Å
539	R	92.2	Very high	91.3	Very high	17 Å²	17	40.5 Å²	40.5	6%	0.064	19%	0.191	C	C	.	.	H	α-helix	trans	-66.6	-41.9	173.6	-62.1	-174.9	-169.3	153.7	0.8	111.9	T394 T400 G533 N536 Q542 L543 E587	T394-R539 VanDerWaalsContact OG1-CZ 3.32Å; T394-R539 PolarHBondContact OG1-NH2 3Å; T400-R539 HydrophobicContact CG2-CB 4.25Å; G533-R539 WeakPolarHBondContact O-CD 3.43Å; G533-R539 PolarHBondContact O-NH1 3.37Å; N536-R539 HydrophobicContact CB-CB 4.33Å; N536-R539 HydrophobicContact CB-CG 4.08Å; N536-R539 PolarHBondContact O-N 3.05Å; N536-R539 PolarHBondContact OD1-N 3.5Å; R539-Q542 WeakPolarHBondContact O-CB 3.42Å; R539-Q542 PolarHBondContact O-N 3.45Å; R539-L543 WeakPolarHBondContact O-CG 3.19Å; R539-L543 PolarHBondContact O-N 3.44Å; R539-E587 PolarHBondContact NH1-O 3.33Å
540	V	91.8	Very high	90.9	Very high	5 Å²	5	49 Å²	49	3%	0.03	23%	0.227	C	C	.	.	H	α-helix	trans	-60.5	-50.8	174.2	171.9	0	0	0	0	110.1	M492 L534 N536 E537 Q542 L543 E544 M551 L553	M492-V540 HydrophobicContact CE-CG2 4.33Å; L534-V540 WeakPolarHBondContact O-CG2 3.38Å; N536-V540 WeakPolarHBondContact O-CG2 3.38Å; N536-V540 PolarHBondContact O-N 3.4Å; N536-V540 VanDerWaalsContact O-N 3.11Å; E537-V540 PolarHBondContact O-N 3.08Å; V540-Q542 PolarHBondContact O-N 3.32Å; V540-L543 PolarHBondContact O-N 2.99Å; V540-E544 HydrophobicContact CG1-CG 4Å; V540-E544 VanDerWaalsContact O-CG 3.32Å; V540-E544 WeakPolarHBondContact O-CG 3.44Å; V540-E544 PolarHBondContact O-N 3.2Å; V540-M551 HydrophobicContact CG1-CB 3.79Å; V540-M551 HydrophobicContact CG1-CG 4.45Å; V540-M551 HydrophobicContact CG1-SD 4.41Å; V540-L553 HydrophobicContact CG2-CD2 4.08Å
541	K	92.3	Very high	90.5	Very high	83 Å²	83	49.8 Å²	49.8	36%	0.361	23%	0.231	S	C	.	.	H	α-helix	trans	-56.5	-38.5	177.2	-72.5	166.6	-167.1	158.9	0	112.2	E537 D538 R545	E537-K541 WeakPolarHBondContact O-CB 3.45Å; E537-K541 VanDerWaalsContact O-CG 3.25Å; E537-K541 WeakPolarHBondContact O-CG 3.28Å; E537-K541 PolarHBondContact O-N 3.14Å; E537-K541 IonicContact OE2-NZ 2.98Å; D538-K541 PolarHBondContact O-N 3.25Å; D538-K541 IonicContact OD1-NZ 2.72Å; K541-R545 VanDerWaalsContact O-CG 3.26Å; K541-R545 WeakPolarHBondContact O-CG 3.45Å; K541-R545 PolarHBondContact O-N 3.37Å; K541-R545 VanDerWaalsContact O-N 3.12Å
542	Q	90.8	Very high	90	Very high	59 Å²	59	51 Å²	51	28%	0.276	24%	0.24	S	C	.	.	H	α-helix	trans	-61.4	-49	174.7	-177.8	179.6	-1.8	0	0	111.3	T400 D538 R539 V540 R545 T546	T400-Q542 HydrophobicContact CG2-CB 4.45Å; T400-Q542 HydrophobicContact CG2-CG 4.3Å; D538-Q542 WeakPolarHBondContact O-CB 3.38Å; D538-Q542 PolarHBondContact O-N 3.5Å; R539-Q542 WeakPolarHBondContact O-CB 3.42Å; R539-Q542 PolarHBondContact O-N 3.45Å; V540-Q542 PolarHBondContact O-N 3.32Å; Q542-R545 PolarHBondContact O-N 3.28Å; Q542-T546 PolarHBondContact O-N 2.63Å; Q542-T546 PolarHBondContact O-OG1 3.09Å; Q542-T546 VanDerWaalsContact O-OG1 3.06Å
543	L	91.1	Very high	89.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-68.1	-36.2	178.7	-65.4	176.2	0	0	0	113.3	T400 F485 M489 L534 R539 V540 R545 T546 F547 M551	T400-L543 HydrophobicContact CG2-CD1 4.44Å; T400-L543 HydrophobicContact CG2-CD2 3.86Å; T400-L543 HydrophobicContact CG2-CG 3.88Å; F485-L543 HydrophobicContact CE1-CD1 4.25Å; F485-L543 HydrophobicContact CE1-CD2 4.33Å; F485-L543 HydrophobicContact CZ-CD1 3.99Å; F485-L543 HydrophobicContact CZ-CD2 4.26Å; M489-L543 HydrophobicContact SD-CD1 4.38Å; L534-L543 HydrophobicContact CD2-CD1 3.46Å; L534-L543 VanDerWaalsContact CD2-CD1 3.46Å; R539-L543 WeakPolarHBondContact O-CG 3.19Å; R539-L543 PolarHBondContact O-N 3.44Å; V540-L543 PolarHBondContact O-N 2.99Å; L543-R545 VanDerWaalsContact C-N 3.27Å; L543-R545 PolarHBondContact O-N 3.09Å; L543-T546 PolarHBondContact O-N 3.21Å; L543-F547 HydrophobicContact CB-CD2 4.39Å; L543-F547 HydrophobicContact CD2-CE2 4.05Å; L543-F547 WeakPolarHBondContact O-CD2 3.45Å; L543-F547 PolarHBondContact O-N 2.82Å; L543-M551 HydrophobicContact CB-CE 3.51Å; L543-M551 HydrophobicContact CB-SD 4.1Å; L543-M551 HydrophobicContact CD1-CE 4.13Å; L543-M551 HydrophobicContact CD1-SD 4.24Å; L543-M551 HydrophobicContact CG-CE 4.46Å
544	E	90.5	Very high	89	Confident	58 Å²	58	60 Å²	60	27%	0.271	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-38.9	175.3	-68.6	-170.8	138.5	0	0	111	V540 N548 C549 K550 M551	V540-E544 HydrophobicContact CG1-CG 4Å; V540-E544 VanDerWaalsContact O-CG 3.32Å; V540-E544 WeakPolarHBondContact O-CG 3.44Å; V540-E544 PolarHBondContact O-N 3.2Å; E544-N548 WeakPolarHBondContact O-CA 3.31Å; E544-N548 PolarHBondContact O-N 2.82Å; E544-C549 WeakPolarHBondContact CA-O 3.34Å; E544-C549 WeakPolarHBondContact CG-O 3.35Å; E544-C549 PolarHBondContact O-N 3.28Å; E544-K550 WeakPolarHBondContact OE1-CA 2.9Å; E544-M551 HydrophobicContact CG-CB 4.36Å; E544-M551 HydrophobicContact CG-CG 4.1Å; E544-M551 PolarHBondContact OE1-N 2.8Å
545	R	89.2	Confident	88.6	Confident	203 Å²	203	60 Å²	60	77%	0.766	28%	0.281	S	S	*	.	H	α-helix	trans	-67.1	-42.9	172.7	-68.8	168.7	-169.3	166.6	3.7	112	K541 Q542 L543	K541-R545 VanDerWaalsContact O-CG 3.26Å; K541-R545 WeakPolarHBondContact O-CG 3.45Å; K541-R545 PolarHBondContact O-N 3.37Å; K541-R545 VanDerWaalsContact O-N 3.12Å; Q542-R545 PolarHBondContact O-N 3.28Å; L543-R545 VanDerWaalsContact C-N 3.27Å; L543-R545 PolarHBondContact O-N 3.09Å
546	T	87.6	Confident	88.4	Confident	25 Å²	25	61.4 Å²	61.4	15%	0.153	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-49.1	179.5	-60.7	0	0	0	0	111.6	S404 F407 L417 Q542 L543	S404-T546 WeakPolarHBondContact CB-OG1 3.27Å; S404-T546 PolarHBondContact OG-OG1 3.21Å; S404-T546 VanDerWaalsContact OG-OG1 3.09Å; F407-T546 HydrophobicContact CB-CG2 4.06Å; F407-T546 HydrophobicContact CD2-CG2 3.66Å; F407-T546 HydrophobicContact CE2-CG2 4.48Å; F407-T546 HydrophobicContact CG-CG2 4.13Å; L417-T546 WeakPolarHBondContact CD2-O 3.46Å; Q542-T546 PolarHBondContact O-N 2.63Å; Q542-T546 PolarHBondContact O-OG1 3.09Å; Q542-T546 VanDerWaalsContact O-OG1 3.06Å; L543-T546 PolarHBondContact O-N 3.21Å
547	F	85.6	Confident	88.1	Confident	7 Å²	7	63.6 Å²	63.6	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-96.4	-5.6	-173.1	-68.2	-66.4	0	0	0	114.5	I403 F407 P418 L423 F486 M489 L543 C549 M551	I403-F547 HydrophobicContact CG2-CE2 4.08Å; I403-F547 HydrophobicContact CG2-CZ 3.71Å; F407-F547 HydrophobicContact CD2-CE1 4.16Å; F407-F547 HydrophobicContact CD2-CZ 4.42Å; F407-F547 HydrophobicContact CE1-CE1 4.3Å; F407-F547 HydrophobicContact CE2-CD1 4.42Å; F407-F547 AromaticContact CE2-CE1 3.41Å; F407-F547 HydrophobicContact CE2-CE1 3.41Å; F407-F547 VanDerWaalsContact CE2-CE1 3.41Å; F407-F547 AromaticContact CE2-CZ 3.67Å; F407-F547 HydrophobicContact CE2-CZ 3.67Å; F407-F547 HydrophobicContact CZ-CD1 4.42Å; F407-F547 AromaticContact CZ-CE1 3.49Å; F407-F547 HydrophobicContact CZ-CE1 3.49Å; F407-F547 VanDerWaalsContact CZ-CE1 3.49Å; F407-F547 HydrophobicContact CZ-CZ 4.14Å; P418-F547 HydrophobicContact CG-CD1 4.12Å; P418-F547 HydrophobicContact CG-CE1 4.29Å; L423-F547 HydrophobicContact CD1-CD1 4.28Å; L423-F547 HydrophobicContact CD1-CE1 4.11Å; L423-F547 HydrophobicContact CD1-CZ 4.4Å; L423-F547 HydrophobicContact CD2-CB 3.94Å; L423-F547 HydrophobicContact CD2-CD1 4.04Å; L423-F547 HydrophobicContact CD2-CD2 4.26Å; L423-F547 HydrophobicContact CD2-CG 3.83Å; F486-F547 HydrophobicContact CE1-CZ 4.03Å; F486-F547 HydrophobicContact CZ-CZ 4.24Å; M489-F547 HydrophobicContact CE-CD2 4.08Å; M489-F547 HydrophobicContact CE-CE2 3.86Å; M489-F547 HydrophobicContact SD-CE2 4.22Å; L543-F547 HydrophobicContact CB-CD2 4.39Å; L543-F547 HydrophobicContact CD2-CE2 4.05Å; L543-F547 WeakPolarHBondContact O-CD2 3.45Å; L543-F547 PolarHBondContact O-N 2.82Å; F547-C549 HydrophobicContact CB-CB 4.06Å; F547-C549 PolarHBondContact O-N 3.39Å; F547-M551 HydrophobicContact CD2-CE 4.34Å
548	N	83.9	Confident	87.8	Confident	150 Å²	150	62.8 Å²	62.8	80%	0.802	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	44.5	-170.5	-165.7	27.8	0	0	0	112.4	E544	E544-N548 WeakPolarHBondContact O-CA 3.31Å; E544-N548 PolarHBondContact O-N 2.82Å
549	C	83.2	Confident	87.6	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.034	27%	0.272	C	S	.	.			trans	-137.7	128.2	-172.2	178.9	0	0	0	0	110.1	Q420 L423 L493 E544 F547	Q420-C549 PolarHBondContact NE2-SG 3.42Å; Q420-C549 VanDerWaalsContact NE2-SG 3.4Å; L423-C549 HydrophobicContact CD2-CB 4.41Å; L493-C549 VanDerWaalsContact CD2-SG 3.54Å; E544-C549 WeakPolarHBondContact CA-O 3.34Å; E544-C549 WeakPolarHBondContact CG-O 3.35Å; E544-C549 PolarHBondContact O-N 3.28Å; F547-C549 HydrophobicContact CB-CB 4.06Å; F547-C549 PolarHBondContact O-N 3.39Å
550	K	84.4	Confident	87.5	Confident	179 Å²	179	57.9 Å²	57.9	78%	0.778	27%	0.274	S	S	*	.			trans	-72.7	136	177.6	-69.9	-172	176.8	-176.8	0	112.1	E544	E544-K550 WeakPolarHBondContact OE1-CA 2.9Å
551	M	86.6	Confident	87.3	Confident	17 Å²	17	62.4 Å²	62.4	8%	0.084	30%	0.295	C	S	.	.			trans	-115.2	145	176.3	-57.7	-169.8	-177.2	0	0	110.9	M489 M492 L493 V540 L543 E544 F547	M489-M551 HydrophobicContact CE-CE 3.42Å; M489-M551 VanDerWaalsContact CE-CE 3.42Å; M492-M551 HydrophobicContact CE-CB 4.43Å; L493-M551 HydrophobicContact CD2-CG 3.92Å; V540-M551 HydrophobicContact CG1-CB 3.79Å; V540-M551 HydrophobicContact CG1-CG 4.45Å; V540-M551 HydrophobicContact CG1-SD 4.41Å; L543-M551 HydrophobicContact CB-CE 3.51Å; L543-M551 HydrophobicContact CB-SD 4.1Å; L543-M551 HydrophobicContact CD1-CE 4.13Å; L543-M551 HydrophobicContact CD1-SD 4.24Å; L543-M551 HydrophobicContact CG-CE 4.46Å; E544-M551 HydrophobicContact CG-CB 4.36Å; E544-M551 HydrophobicContact CG-CG 4.1Å; E544-M551 PolarHBondContact OE1-N 2.8Å; F547-M551 HydrophobicContact CD2-CE 4.34Å
552	S	84	Confident	86.9	Confident	28 Å²	28	59.5 Å²	59.5	20%	0.196	29%	0.285	C	S	.	.			trans	-101.5	113.6	-173	-176.3	0	0	0	0	112.3	M492 K554	M492-S552 WeakPolarHBondContact CE-O 3.5Å; M492-S552 PolarHBondContact O-N 3.06Å; S552-K554 PolarHBondContact O-N 2.72Å; S552-K554 WeakPolarHBondContact OG-CB 3.41Å; S552-K554 WeakPolarHBondContact OG-CG 3.28Å; S552-K554 PolarHBondContact OG-N 3.34Å
553	L	85	Confident	86.7	Confident	51 Å²	51	56.9 Å²	56.9	27%	0.267	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	2.5	171.6	-72.2	171.2	0	0	0	113.8	M492 E537 V540 I555 K556	M492-L553 HydrophobicContact CE-CD2 4.12Å; E537-L553 HydrophobicContact CG-CD1 3.83Å; V540-L553 HydrophobicContact CG2-CD2 4.08Å; L553-I555 PolarHBondContact O-N 3.25Å; L553-K556 WeakPolarHBondContact O-CB 3.31Å; L553-K556 PolarHBondContact O-N 3.48Å
554	K	84.6	Confident	86.5	Confident	137 Å²	137	60.7 Å²	60.7	60%	0.596	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-25.4	174.5	-70.3	-175.4	178	-178.8	0	112.2	S552 K556 S557	S552-K554 PolarHBondContact O-N 2.72Å; S552-K554 WeakPolarHBondContact OG-CB 3.41Å; S552-K554 WeakPolarHBondContact OG-CG 3.28Å; S552-K554 PolarHBondContact OG-N 3.34Å; K554-K556 PolarHBondContact O-N 3.15Å; K554-S557 PolarHBondContact O-N 3.17Å; K554-S557 VanDerWaalsContact O-N 3.13Å; K554-S557 PolarHBondContact O-OG 3.43Å
555	I	85.7	Confident	86.1	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-56.5	-30.5	174.7	-169	159.3	0	0	0	113.5	M492 W497 L510 L531 L535 L553 S557 K558 L559	M492-I555 HydrophobicContact CE-CG2 4.12Å; M492-I555 HydrophobicContact SD-CG2 3.67Å; W497-I555 HydrophobicContact CH2-CB 4.16Å; W497-I555 HydrophobicContact CH2-CD1 4.19Å; W497-I555 HydrophobicContact CZ2-CD1 4.04Å; L510-I555 HydrophobicContact CD1-CD1 4.09Å; L510-I555 HydrophobicContact CD2-CD1 4.11Å; L510-I555 HydrophobicContact CD2-CG1 3.79Å; L531-I555 HydrophobicContact CD1-CD1 3.87Å; L535-I555 HydrophobicContact CD2-CG2 3.49Å; L535-I555 VanDerWaalsContact CD2-CG2 3.49Å; L553-I555 PolarHBondContact O-N 3.25Å; I555-S557 VanDerWaalsContact C-N 3.29Å; I555-S557 PolarHBondContact O-N 3.23Å; I555-K558 PolarHBondContact O-N 2.89Å; I555-K558 VanDerWaalsContact O-N 3.12Å; I555-L559 HydrophobicContact CG1-CD1 4.22Å; I555-L559 HydrophobicContact CG1-CG 4.15Å; I555-L559 WeakPolarHBondContact O-CG 3.44Å; I555-L559 PolarHBondContact O-N 3.06Å
556	K	89.6	Confident	85.6	Confident	31 Å²	31	53.8 Å²	53.8	14%	0.135	27%	0.273	C	S	.	.	H	α-helix	trans	-54.1	-47.2	174.4	-77.3	-169.1	176.6	-178.1	0	111.2	L535 L553 K554 K558 L559 L560 D590 F593	L535-K556 HydrophobicContact CB-CG 4.21Å; L535-K556 HydrophobicContact CD1-CG 4.48Å; L535-K556 HydrophobicContact CD2-CG 4.03Å; L535-K556 HydrophobicContact CG-CG 4.46Å; L535-K556 WeakPolarHBondContact O-CE 3.29Å; L535-K556 PolarHBondContact O-NZ 3.42Å; L535-K556 VanDerWaalsContact O-NZ 3.08Å; L553-K556 WeakPolarHBondContact O-CB 3.31Å; L553-K556 PolarHBondContact O-N 3.48Å; K554-K556 PolarHBondContact O-N 3.15Å; K556-K558 VanDerWaalsContact C-N 3.33Å; K556-K558 PolarHBondContact O-N 3.49Å; K556-L559 PolarHBondContact O-N 2.88Å; K556-L560 WeakPolarHBondContact O-CG 3.45Å; K556-L560 PolarHBondContact O-N 3.31Å; K556-D590 IonicContact NZ-OD2 2.76Å; K556-D590 PolarHBondContact NZ-OD2 3.37Å; K556-F593 HydrophobicContact CB-CD2 4.4Å; K556-F593 HydrophobicContact CB-CE2 4.03Å; K556-F593 HydrophobicContact CD-CD2 4.24Å; K556-F593 HydrophobicContact CG-CD2 4.3Å; K556-F593 HydrophobicContact CG-CE2 4.14Å
557	S	88.3	Confident	85	Confident	72 Å²	72	53.7 Å²	53.7	50%	0.503	28%	0.277	S	S	.	.	H	α-helix	trans	-63.4	-37.6	179.8	69.7	0	0	0	0	112.6	K554 I555 L560 Q561	K554-S557 PolarHBondContact O-N 3.17Å; K554-S557 VanDerWaalsContact O-N 3.13Å; K554-S557 PolarHBondContact O-OG 3.43Å; I555-S557 VanDerWaalsContact C-N 3.29Å; I555-S557 PolarHBondContact O-N 3.23Å; S557-L560 PolarHBondContact O-N 3.29Å; S557-Q561 PolarHBondContact O-N 3.11Å
558	K	85.4	Confident	84.5	Confident	82 Å²	82	58.6 Å²	58.6	36%	0.357	30%	0.304	S	S	.	.	H	α-helix	trans	-71.3	-38.8	177.3	-70.8	-67.8	178.9	-174.4	0	112.5	L510 I555 K556 L560 Q561 C562	L510-K558 HydrophobicContact CD2-CB 3.95Å; I555-K558 PolarHBondContact O-N 2.89Å; I555-K558 VanDerWaalsContact O-N 3.12Å; K556-K558 VanDerWaalsContact C-N 3.33Å; K556-K558 PolarHBondContact O-N 3.49Å; K558-L560 VanDerWaalsContact C-N 3.35Å; K558-Q561 PolarHBondContact O-N 3.05Å; K558-C562 PolarHBondContact O-N 2.96Å; K558-C562 PolarHBondContact O-SG 2.75Å
559	L	88.4	Confident	83.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-43.4	173.4	-68.3	173.7	0	0	0	110.7	L510 L514 L535 I555 K556 Q561 C562 M563 F593	L510-L559 HydrophobicContact CD1-CD2 4.05Å; L510-L559 HydrophobicContact CD2-CD2 3.8Å; L510-L559 HydrophobicContact CD2-CG 4.17Å; L510-L559 HydrophobicContact CG-CD2 4.05Å; L514-L559 HydrophobicContact CD1-CD2 3.61Å; L514-L559 HydrophobicContact CD2-CD2 4.01Å; L514-L559 HydrophobicContact CG-CD2 4.03Å; L535-L559 HydrophobicContact CD1-CD1 3.44Å; L535-L559 VanDerWaalsContact CD1-CD1 3.44Å; L535-L559 HydrophobicContact CD2-CD1 3.94Å; L535-L559 HydrophobicContact CG-CD1 4.26Å; I555-L559 HydrophobicContact CG1-CD1 4.22Å; I555-L559 HydrophobicContact CG1-CG 4.15Å; I555-L559 WeakPolarHBondContact O-CG 3.44Å; I555-L559 PolarHBondContact O-N 3.06Å; K556-L559 PolarHBondContact O-N 2.88Å; L559-Q561 PolarHBondContact O-N 2.74Å; L559-C562 WeakPolarHBondContact O-CB 3.5Å; L559-C562 PolarHBondContact O-N 3Å; L559-C562 VanDerWaalsContact O-N 3.12Å; L559-M563 WeakPolarHBondContact O-CG 3.31Å; L559-M563 PolarHBondContact O-N 2.78Å; L559-F593 HydrophobicContact CB-CZ 4.22Å; L559-F593 HydrophobicContact CD1-CZ 4.46Å
560	L	90.3	Very high	82.2	Confident	23 Å²	23	61.8 Å²	61.8	12%	0.12	32%	0.324	C	S	.	.	H	α-helix	trans	-61.3	-43.1	174.9	-70.2	171.8	0	0	0	112.3	K556 S557 K558 C562 M563 E564 F593 Q596 A597	K556-L560 WeakPolarHBondContact O-CG 3.45Å; K556-L560 PolarHBondContact O-N 3.31Å; S557-L560 PolarHBondContact O-N 3.29Å; K558-L560 VanDerWaalsContact C-N 3.35Å; L560-C562 VanDerWaalsContact C-N 3.25Å; L560-C562 PolarHBondContact O-N 2.93Å; L560-M563 PolarHBondContact O-N 3.19Å; L560-M563 VanDerWaalsContact O-N 3.15Å; L560-E564 PolarHBondContact O-N 2.93Å; L560-F593 HydrophobicContact CD1-CD2 4.37Å; L560-F593 HydrophobicContact CD1-CE2 4.21Å; L560-F593 HydrophobicContact CD2-CD2 4.2Å; L560-F593 HydrophobicContact CD2-CE2 3.86Å; L560-F593 HydrophobicContact CD2-CZ 4.42Å; L560-F593 HydrophobicContact CG-CD2 4.29Å; L560-F593 HydrophobicContact CG-CE2 3.75Å; L560-Q596 HydrophobicContact CD1-CB 4.31Å; L560-Q596 VanDerWaalsContact CD1-OE1 3.29Å; L560-Q596 HydrophobicContact CD2-CB 3.8Å; L560-A597 HydrophobicContact CD2-CB 4Å
561	Q	87.1	Confident	80.5	Confident	101 Å²	101	61.8 Å²	61.8	47%	0.472	32%	0.321	S	S	.	.	H	α-helix	trans	-59.8	-37.2	174	-172	179.1	17.3	0	0	111.6	S557 K558 L559 V565	S557-Q561 PolarHBondContact O-N 3.11Å; K558-Q561 PolarHBondContact O-N 3.05Å; L559-Q561 PolarHBondContact O-N 2.74Å; Q561-V565 WeakPolarHBondContact O-CG2 3.36Å; Q561-V565 PolarHBondContact O-N 3.33Å
562	C	83.2	Confident	78.6	Confident	21 Å²	21	63.8 Å²	63.8	14%	0.142	34%	0.336	C	S	.	.	H	α-helix	trans	-69.3	-40.1	174.8	-64.2	0	0	0	0	112.1	L514 K558 L559 L560 E564 V565 L566	L514-C562 HydrophobicContact CD1-CB 3.28Å; K558-C562 PolarHBondContact O-N 2.96Å; K558-C562 PolarHBondContact O-SG 2.75Å; L559-C562 WeakPolarHBondContact O-CB 3.5Å; L559-C562 PolarHBondContact O-N 3Å; L559-C562 VanDerWaalsContact O-N 3.12Å; L560-C562 VanDerWaalsContact C-N 3.25Å; L560-C562 PolarHBondContact O-N 2.93Å; C562-E564 VanDerWaalsContact C-N 3.3Å; C562-E564 PolarHBondContact O-N 2.82Å; C562-V565 PolarHBondContact O-N 2.96Å; C562-L566 WeakPolarHBondContact O-CG 3.28Å; C562-L566 PolarHBondContact O-N 3.29Å
563	M	86.9	Confident	76.8	Confident	4 Å²	4	65.1 Å²	65.1	2%	0.02	34%	0.344	C	S	.	.	H	α-helix	trans	-63.3	-36.5	175.6	-64.1	-58.7	169.9	0	0	111.9	L514 F532 L559 L560 L566 G567 L581 A597 Y600 F601	L514-M563 HydrophobicContact CD2-CE 4.25Å; F532-M563 HydrophobicContact CE1-CE 4.21Å; F532-M563 HydrophobicContact CZ-CE 3.8Å; L559-M563 WeakPolarHBondContact O-CG 3.31Å; L559-M563 PolarHBondContact O-N 2.78Å; L560-M563 PolarHBondContact O-N 3.19Å; L560-M563 VanDerWaalsContact O-N 3.15Å; M563-L566 PolarHBondContact O-N 2.86Å; M563-L566 HydrophobicContact SD-CD1 4.34Å; M563-G567 PolarHBondContact O-N 3.47Å; M563-L581 HydrophobicContact CE-CD1 3.51Å; M563-L581 HydrophobicContact SD-CD1 4.08Å; M563-L581 HydrophobicContact SD-CD2 4.45Å; M563-A597 HydrophobicContact CG-CB 4.34Å; M563-Y600 HydrophobicContact CB-CD2 4.19Å; M563-F601 HydrophobicContact CB-CE2 4.48Å; M563-F601 HydrophobicContact SD-CZ 4.42Å
564	E	87.2	Confident	75	Confident	80 Å²	80	67.7 Å²	67.7	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-60.8	-47.7	173.3	-179.7	176.7	-162.6	0	0	111.8	L560 C562 L566 G567 N568 Y600	L560-E564 PolarHBondContact O-N 2.93Å; C562-E564 VanDerWaalsContact C-N 3.3Å; C562-E564 PolarHBondContact O-N 2.82Å; E564-L566 VanDerWaalsContact C-N 3.31Å; E564-L566 PolarHBondContact O-N 3.09Å; E564-G567 PolarHBondContact O-N 3.47Å; E564-N568 WeakPolarHBondContact CG-ND2 3.33Å; E564-N568 VanDerWaalsContact O-CB 3.32Å; E564-N568 WeakPolarHBondContact O-CB 3.08Å; E564-N568 VanDerWaalsContact O-CG 3.31Å; E564-N568 PolarHBondContact O-N 3.07Å; E564-N568 PolarHBondContact O-ND2 3.05Å; E564-Y600 HydrophobicContact CB-CD1 3.82Å; E564-Y600 HydrophobicContact CB-CD2 4.14Å; E564-Y600 HydrophobicContact CB-CE1 3.67Å; E564-Y600 HydrophobicContact CB-CE2 3.98Å; E564-Y600 HydrophobicContact CB-CG 4.06Å; E564-Y600 HydrophobicContact CG-CD1 3.78Å; E564-Y600 HydrophobicContact CG-CE1 3.58Å; E564-Y600 HydrophobicContact CG-CG 4.47Å
565	V	81.9	Confident	73	Confident	77 Å²	77	67.4 Å²	67.4	47%	0.467	37%	0.367	S	S	.	.	H	α-helix	trans	-61.7	-40.4	176.8	173.4	0	0	0	0	111.4	Q561 C562 S569	Q561-V565 WeakPolarHBondContact O-CG2 3.36Å; Q561-V565 PolarHBondContact O-N 3.33Å; C562-V565 PolarHBondContact O-N 2.96Å; V565-S569 PolarHBondContact O-N 3.16Å
566	L	78.3	Confident	71.8	Confident	39 Å²	39	70.1 Å²	70.1	20%	0.204	38%	0.381	C	S	.	.	H	α-helix	trans	-68.1	-45.5	178.2	-70.3	170.9	0	0	0	111.9	C562 M563 E564 N568 S569 L576 F601	C562-L566 WeakPolarHBondContact O-CG 3.28Å; C562-L566 PolarHBondContact O-N 3.29Å; M563-L566 PolarHBondContact O-N 2.86Å; M563-L566 HydrophobicContact SD-CD1 4.34Å; E564-L566 VanDerWaalsContact C-N 3.31Å; E564-L566 PolarHBondContact O-N 3.09Å; L566-N568 PolarHBondContact O-N 2.95Å; L566-S569 PolarHBondContact O-N 2.93Å; L566-S569 PolarHBondContact O-OG 3.27Å; L566-L576 HydrophobicContact CD1-CD1 4.47Å; L566-L576 HydrophobicContact CD2-CD1 4.45Å; L566-F601 HydrophobicContact CB-CZ 4.43Å
567	G	76.4	Confident	71.2	Confident	23 Å²	23	70.3 Å²	70.3	24%	0.237	39%	0.392	C	S	.	.	H	α-helix	trans	-69.7	-29.7	-178.2	0	0	0	0	0	114.3	M563 E564 Y600	M563-G567 PolarHBondContact O-N 3.47Å; E564-G567 PolarHBondContact O-N 3.47Å; G567-Y600 CarbonylContact C-O 3.32Å; G567-Y600 WeakPolarHBondContact CA-O 3.33Å
568	N	74.7	Confident	71.2	Confident	111 Å²	111	67.1 Å²	67.1	59%	0.594	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-3.3	178.3	-68.8	-26.8	0	0	0	114	E564 L566	E564-N568 WeakPolarHBondContact CG-ND2 3.33Å; E564-N568 VanDerWaalsContact O-CB 3.32Å; E564-N568 WeakPolarHBondContact O-CB 3.08Å; E564-N568 VanDerWaalsContact O-CG 3.31Å; E564-N568 PolarHBondContact O-N 3.07Å; E564-N568 PolarHBondContact O-ND2 3.05Å; L566-N568 PolarHBondContact O-N 2.95Å
569	S	66.2	Low	71.3	Confident	46 Å²	46	64.8 Å²	64.8	32%	0.322	36%	0.36	S	S	.	.	S	Bend	trans	-80.9	138.5	179	70.2	0	0	0	0	111.2	V565 L566 Y571	V565-S569 PolarHBondContact O-N 3.16Å; L566-S569 PolarHBondContact O-N 2.93Å; L566-S569 PolarHBondContact O-OG 3.27Å; S569-Y571 PolarHBondContact O-N 3.37Å
570	D	52.3	Low	71.3	Confident	176 Å²	176	66.7 Å²	66.7	94%	0.941	37%	0.369	S	S	*	.			trans	-69.3	3.9	174.7	-70.4	-41.8	0	0	0	113.3	S572	D570-S572 PolarHBondContact O-N 3.1Å
571	Y	49.3	Very low	71.3	Confident	179 Å²	179	66.3 Å²	66.3	70%	0.702	37%	0.367	S	S	*	.	S	Bend	trans	-62.8	130.2	174.3	-89	-90.5	0	0	0	109.9	S569	S569-Y571 PolarHBondContact O-N 3.37Å
572	S	46	Very low	71.6	Confident	58 Å²	58	61.5 Å²	61.5	41%	0.406	35%	0.345	S	S	.	.			trans	-56.3	132.8	-177.9	58.9	0	0	0	0	111.1	D570 S574 Q575	D570-S572 PolarHBondContact O-N 3.1Å; S572-S574 WeakPolarHBondContact CB-OG 3.46Å; S572-S574 PolarHBondContact O-N 3.03Å; S572-S574 PolarHBondContact OG-OG 3.14Å; S572-Q575 PolarHBondContact O-N 3.25Å
573	P	46.2	Very low	72	Confident	57 Å²	57	61.4 Å²	61.4	37%	0.37	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-55.1	-15.8	177	-26.5	33.1	0	0	0	114.9	Q575 L576 F578	P573-Q575 PolarHBondContact O-N 2.84Å; P573-L576 PolarHBondContact O-N 3.41Å; P573-F578 HydrophobicContact CB-CE2 4.09Å
574	S	46.6	Very low	72.2	Confident	105 Å²	105	61.9 Å²	61.9	73%	0.734	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-64.6	-17.8	178.1	51.9	0	0	0	0	114.7	S572	S572-S574 WeakPolarHBondContact CB-OG 3.46Å; S572-S574 PolarHBondContact O-N 3.03Å; S572-S574 PolarHBondContact OG-OG 3.14Å
575	Q	43.7	Very low	72.6	Confident	131 Å²	131	58 Å²	58	61%	0.612	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-91.8	-18.1	175.6	-68	-174.4	-3.3	0	0	113.4	S572 P573	S572-Q575 PolarHBondContact O-N 3.25Å; P573-Q575 PolarHBondContact O-N 2.84Å
576	L	60.4	Low	73.2	Confident	56 Å²	56	55.4 Å²	55.4	29%	0.293	31%	0.308	S	S	.	.	S	Bend	trans	-89	113.8	178.7	-154.8	86.5	0	0	0	109.2	L566 P573 F578 L581 F601	L566-L576 HydrophobicContact CD1-CD1 4.47Å; L566-L576 HydrophobicContact CD2-CD1 4.45Å; P573-L576 PolarHBondContact O-N 3.41Å; L576-F578 VanDerWaalsContact C-N 3.26Å; L576-F578 HydrophobicContact CB-CE2 4.41Å; L576-F578 HydrophobicContact CD2-CD1 4.35Å; L576-F578 HydrophobicContact CD2-CE1 3.97Å; L576-F578 HydrophobicContact CD2-CE2 4.23Å; L576-F578 HydrophobicContact CD2-CZ 3.92Å; L576-F578 PolarHBondContact O-N 2.89Å; L576-L581 HydrophobicContact CD2-CD2 4.42Å; L576-F601 HydrophobicContact CD2-CE1 3.84Å; L576-F601 HydrophobicContact CD2-CZ 4.25Å
577	G	77.6	Confident	74	Confident	35 Å²	35	53.9 Å²	53.9	36%	0.361	30%	0.3	S	S	.	.			trans	-69.1	79.2	173.1	0	0	0	0	0	111.4	L579 E580 L581	G577-L579 PolarHBondContact O-N 3.37Å; G577-L579 VanDerWaalsContact O-N 3.13Å; G577-E580 WeakPolarHBondContact O-CA 3.31Å; G577-E580 WeakPolarHBondContact O-CB 3.29Å; G577-E580 PolarHBondContact O-N 3.14Å; G577-L581 PolarHBondContact O-N 3.15Å
578	F	86.4	Confident	74.9	Confident	5 Å²	5	52.8 Å²	52.8	2%	0.022	29%	0.288	C	S	.	.	H	α-helix	trans	-54.4	-34.1	-179.3	-85.4	-76.2	0	0	0	112.9	P573 L576 E580 L581 F582 M598 F601 K603 V604 I606	P573-F578 HydrophobicContact CB-CE2 4.09Å; L576-F578 VanDerWaalsContact C-N 3.26Å; L576-F578 HydrophobicContact CB-CE2 4.41Å; L576-F578 HydrophobicContact CD2-CD1 4.35Å; L576-F578 HydrophobicContact CD2-CE1 3.97Å; L576-F578 HydrophobicContact CD2-CE2 4.23Å; L576-F578 HydrophobicContact CD2-CZ 3.92Å; L576-F578 PolarHBondContact O-N 2.89Å; F578-E580 VanDerWaalsContact C-N 3.32Å; F578-E580 PolarHBondContact O-N 3.5Å; F578-L581 HydrophobicContact CD1-CD2 4.41Å; F578-L581 PolarHBondContact O-N 3.49Å; F578-F582 WeakPolarHBondContact O-CB 3.4Å; F578-F582 WeakPolarHBondContact O-CD1 3.43Å; F578-F582 VanDerWaalsContact O-CG 3.28Å; F578-F582 WeakPolarHBondContact O-CG 3.15Å; F578-F582 PolarHBondContact O-N 2.88Å; F578-M598 HydrophobicContact CE1-CE 4.47Å; F578-F601 HydrophobicContact CE1-CB 4.43Å; F578-F601 AromaticContact CE1-CD1 3.91Å; F578-F601 HydrophobicContact CE1-CD1 3.91Å; F578-F601 HydrophobicContact CE1-CE1 4.33Å; F578-F601 HydrophobicContact CE1-CG 4.06Å; F578-F601 AromaticContact CZ-CD1 3.85Å; F578-F601 HydrophobicContact CZ-CD1 3.85Å; F578-F601 HydrophobicContact CZ-CE1 4.37Å; F578-F601 HydrophobicContact CZ-CG 4.35Å; F578-K603 WeakPolarHBondContact CZ-O 3.49Å; F578-V604 HydrophobicContact CB-CG1 4.4Å; F578-V604 HydrophobicContact CD1-CG1 4.25Å; F578-V604 HydrophobicContact CD1-CG2 4.01Å; F578-V604 HydrophobicContact CE1-CG2 3.8Å; F578-V604 HydrophobicContact CG-CG1 4.16Å; F578-V604 HydrophobicContact CZ-CG2 4.21Å; F578-I606 HydrophobicContact CB-CG2 3.72Å
579	L	88.8	Confident	75.9	Confident	33 Å²	33	49.3 Å²	49.3	17%	0.173	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-41.5	176.2	-167	60.6	0	0	0	111.5	G577 F582 H583 N607 H613 V616	G577-L579 PolarHBondContact O-N 3.37Å; G577-L579 VanDerWaalsContact O-N 3.13Å; L579-F582 PolarHBondContact O-N 3.41Å; L579-H583 PolarHBondContact O-CD2 2.9Å; L579-H583 PolarHBondContact O-N 3.14Å; L579-N607 WeakPolarHBondContact CD2-O 3.4Å; L579-H613 HydrophobicContact CD1-CB 3.82Å; L579-H613 HydrophobicContact CD2-CB 4.3Å; L579-H613 VanDerWaalsContact CD2-CD2 3.41Å; L579-H613 WeakPolarHBondContact CD2-CD2 3.37Å; L579-V616 HydrophobicContact CD1-CG2 4.17Å
580	E	87.7	Confident	77.2	Confident	41 Å²	41	49 Å²	49	19%	0.192	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-43.7	174	-61.1	175.3	-168.4	0	0	111.5	S518 G577 F578 F582 H583 Y584	S518-E580 VanDerWaalsContact CB-OE1 3.22Å; S518-E580 WeakPolarHBondContact CB-OE1 3.43Å; S518-E580 WeakPolarHBondContact CB-OE2 3.34Å; S518-E580 VanDerWaalsContact OG-CD 3.28Å; S518-E580 PolarHBondContact OG-OE1 3.12Å; G577-E580 WeakPolarHBondContact O-CA 3.31Å; G577-E580 WeakPolarHBondContact O-CB 3.29Å; G577-E580 PolarHBondContact O-N 3.14Å; F578-E580 VanDerWaalsContact C-N 3.32Å; F578-E580 PolarHBondContact O-N 3.5Å; E580-F582 VanDerWaalsContact C-N 3.27Å; E580-F582 PolarHBondContact O-N 3.32Å; E580-H583 WeakPolarHBondContact O-CB 3.25Å; E580-H583 PolarHBondContact O-N 2.84Å; E580-H583 VanDerWaalsContact O-N 3.16Å; E580-Y584 HydrophobicContact CB-CE2 4.2Å; E580-Y584 WeakPolarHBondContact O-CD2 3.36Å; E580-Y584 VanDerWaalsContact O-CG 3.23Å; E580-Y584 PolarHBondContact O-N 2.74Å
581	L	90.2	Very high	79.2	Confident	14 Å²	14	46.4 Å²	46.4	7%	0.073	24%	0.243	C	C	.	.	H	α-helix	trans	-58.6	-41.9	174.2	178.3	59.9	0	0	0	111.1	M563 L576 G577 F578 H583 Y584 L585 M598 F601	M563-L581 HydrophobicContact CE-CD1 3.51Å; M563-L581 HydrophobicContact SD-CD1 4.08Å; M563-L581 HydrophobicContact SD-CD2 4.45Å; L576-L581 HydrophobicContact CD2-CD2 4.42Å; G577-L581 PolarHBondContact O-N 3.15Å; F578-L581 HydrophobicContact CD1-CD2 4.41Å; F578-L581 PolarHBondContact O-N 3.49Å; L581-H583 PolarHBondContact O-N 2.89Å; L581-Y584 PolarHBondContact O-N 2.92Å; L581-L585 HydrophobicContact CD1-CD1 4.19Å; L581-L585 HydrophobicContact CD1-CG 4.05Å; L581-L585 HydrophobicContact CG-CD1 3.97Å; L581-L585 HydrophobicContact CG-CG 4.27Å; L581-L585 WeakPolarHBondContact O-CB 3.45Å; L581-L585 VanDerWaalsContact O-CG 3.3Å; L581-L585 WeakPolarHBondContact O-CG 3.3Å; L581-L585 PolarHBondContact O-N 2.75Å; L581-M598 HydrophobicContact CD2-SD 4.4Å; L581-F601 HydrophobicContact CD2-CE2 4.35Å; L581-F601 HydrophobicContact CD2-CZ 4.4Å
582	F	92.9	Very high	81.3	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-37.7	176.3	-72.7	-2.4	0	0	0	112.2	F578 L579 E580 L585 Y586 M598 V604 I606 V616 C620 L621	F578-F582 WeakPolarHBondContact O-CB 3.4Å; F578-F582 WeakPolarHBondContact O-CD1 3.43Å; F578-F582 VanDerWaalsContact O-CG 3.28Å; F578-F582 WeakPolarHBondContact O-CG 3.15Å; F578-F582 PolarHBondContact O-N 2.88Å; L579-F582 PolarHBondContact O-N 3.41Å; E580-F582 VanDerWaalsContact C-N 3.27Å; E580-F582 PolarHBondContact O-N 3.32Å; F582-L585 HydrophobicContact CD1-CD1 4.48Å; F582-L585 PolarHBondContact O-N 3.09Å; F582-Y586 WeakPolarHBondContact O-CB 3.32Å; F582-Y586 PolarHBondContact O-N 2.8Å; F582-M598 HydrophobicContact CE1-CE 3.74Å; F582-M598 HydrophobicContact CE1-SD 3.88Å; F582-M598 HydrophobicContact CZ-CE 4.24Å; F582-V604 HydrophobicContact CE2-CG1 4.34Å; F582-V604 HydrophobicContact CZ-CG1 3.97Å; F582-I606 HydrophobicContact CD2-CG2 4.25Å; F582-I606 HydrophobicContact CE2-CD1 4.29Å; F582-I606 HydrophobicContact CE2-CG2 3.95Å; F582-V616 HydrophobicContact CB-CB 4.23Å; F582-V616 HydrophobicContact CB-CG2 3.95Å; F582-C620 HydrophobicContact CB-CB 4.35Å; F582-C620 HydrophobicContact CD1-CB 3.61Å; F582-C620 HydrophobicContact CD2-CB 4.14Å; F582-C620 HydrophobicContact CE1-CB 3.8Å; F582-C620 HydrophobicContact CE2-CB 4.29Å; F582-C620 HydrophobicContact CG-CB 3.79Å; F582-C620 HydrophobicContact CZ-CB 4.13Å; F582-L621 HydrophobicContact CE2-CD1 4.46Å; F582-L621 HydrophobicContact CE2-CD2 4.17Å; F582-L621 HydrophobicContact CE2-CG 3.96Å; F582-L621 HydrophobicContact CZ-CD2 3.87Å; F582-L621 HydrophobicContact CZ-CG 4.1Å
583	H	91.6	Very high	83.6	Confident	20 Å²	20	38.1 Å²	38.1	9%	0.093	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-46.1	170.3	-79.6	-81.6	0	0	0	112.2	L579 E580 L581 Y586 E587 I612 H613	L579-H583 PolarHBondContact O-CD2 2.9Å; L579-H583 PolarHBondContact O-N 3.14Å; E580-H583 WeakPolarHBondContact O-CB 3.25Å; E580-H583 PolarHBondContact O-N 2.84Å; E580-H583 VanDerWaalsContact O-N 3.16Å; L581-H583 PolarHBondContact O-N 2.89Å; H583-Y586 PolarHBondContact O-N 3.38Å; H583-E587 PolarHBondContact O-N 3.48Å; H583-I612 VanDerWaalsContact CE1-CG1 3.41Å; H583-I612 WeakPolarHBondContact CE1-CG1 3.5Å; H583-H613 AromaticContact NE2-CD2 3.5Å; H583-H613 AromaticContact NE2-NE2 3.95Å
584	Y	92.9	Very high	85.9	Confident	13 Å²	13	35.4 Å²	35.4	5%	0.051	20%	0.197	C	C	.	.	H	α-helix	trans	-64	-45.2	178.4	-55	-29	0	0	0	111.6	K528 F532 E580 L581 Y586 E587	K528-Y584 HydrophobicContact CB-CD1 4.11Å; K528-Y584 HydrophobicContact CB-CE1 3.74Å; K528-Y584 HydrophobicContact CB-CE2 4.24Å; K528-Y584 HydrophobicContact CD-CE1 4.46Å; K528-Y584 HydrophobicContact CD-CE2 3.83Å; K528-Y584 WeakPolarHBondContact CD-OH 3.45Å; F532-Y584 WeakPolarHBondContact CB-O 3.41Å; F532-Y584 HydrophobicContact CD2-CG 4.34Å; F532-Y584 HydrophobicContact CE2-CD2 4.42Å; F532-Y584 HydrophobicContact CE2-CG 4.46Å; E580-Y584 HydrophobicContact CB-CE2 4.2Å; E580-Y584 WeakPolarHBondContact O-CD2 3.36Å; E580-Y584 VanDerWaalsContact O-CG 3.23Å; E580-Y584 PolarHBondContact O-N 2.74Å; L581-Y584 PolarHBondContact O-N 2.92Å; Y584-Y586 VanDerWaalsContact C-N 3.33Å; Y584-Y586 PolarHBondContact O-N 3.4Å; Y584-E587 WeakPolarHBondContact O-CB 2.96Å; Y584-E587 PolarHBondContact O-N 3.49Å
585	L	94.5	Very high	88.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-39.4	176.4	-74.3	-179.8	0	0	0	111.8	F532 L581 F582 E587 T588 F593 I594 A597 M598	F532-L585 HydrophobicContact CD1-CD2 4.39Å; F532-L585 HydrophobicContact CE1-CD2 4.11Å; L581-L585 HydrophobicContact CD1-CD1 4.19Å; L581-L585 HydrophobicContact CD1-CG 4.05Å; L581-L585 HydrophobicContact CG-CD1 3.97Å; L581-L585 HydrophobicContact CG-CG 4.27Å; L581-L585 WeakPolarHBondContact O-CB 3.45Å; L581-L585 VanDerWaalsContact O-CG 3.3Å; L581-L585 WeakPolarHBondContact O-CG 3.3Å; L581-L585 PolarHBondContact O-N 2.75Å; F582-L585 HydrophobicContact CD1-CD1 4.48Å; F582-L585 PolarHBondContact O-N 3.09Å; L585-E587 VanDerWaalsContact C-N 3.33Å; L585-E587 PolarHBondContact O-N 3.16Å; L585-T588 WeakPolarHBondContact O-CB 3.41Å; L585-T588 WeakPolarHBondContact O-CG2 3.27Å; L585-T588 PolarHBondContact O-N 3.13Å; L585-T588 VanDerWaalsContact O-N 3.16Å; L585-T588 PolarHBondContact O-OG1 3.28Å; L585-F593 HydrophobicContact CD2-CD1 4.13Å; L585-F593 HydrophobicContact CD2-CE1 3.92Å; L585-I594 HydrophobicContact CB-CD1 4.45Å; L585-I594 HydrophobicContact CB-CG1 4.08Å; L585-I594 HydrophobicContact CD2-CG1 4.31Å; L585-A597 HydrophobicContact CD2-CB 4.04Å; L585-M598 HydrophobicContact CD1-CG 4.09Å; L585-M598 HydrophobicContact CD1-SD 3.86Å
586	Y	94.9	Very high	90.6	Very high	21 Å²	21	30.9 Å²	30.9	8%	0.082	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-40.2	173.9	178.2	-96.3	0	0	0	111.7	Q393 T394 F582 H583 Y584 T588 Q589 L615 V616 F619	Q393-Y586 WeakPolarHBondContact O-CE1 3.34Å; Q393-Y586 PolarHBondContact O-OH 2.96Å; T394-Y586 HydrophobicContact CG2-CD1 4.37Å; T394-Y586 HydrophobicContact CG2-CE1 3.97Å; F582-Y586 WeakPolarHBondContact O-CB 3.32Å; F582-Y586 PolarHBondContact O-N 2.8Å; H583-Y586 PolarHBondContact O-N 3.38Å; Y584-Y586 VanDerWaalsContact C-N 3.33Å; Y584-Y586 PolarHBondContact O-N 3.4Å; Y586-T588 PolarHBondContact O-N 2.75Å; Y586-T588 VanDerWaalsContact O-N 3.13Å; Y586-Q589 PolarHBondContact O-N 3.47Å; Y586-Q589 VanDerWaalsContact O-N 3.09Å; Y586-Q589 PolarHBondContact O-NE2 3.48Å; Y586-L615 HydrophobicContact CE2-CD1 4.16Å; Y586-L615 HydrophobicContact CE2-CD2 4.27Å; Y586-L615 HydrophobicContact CE2-CG 4.05Å; Y586-V616 HydrophobicContact CD1-CG1 4.07Å; Y586-V616 HydrophobicContact CD2-CG1 4.25Å; Y586-V616 HydrophobicContact CG-CB 4.46Å; Y586-V616 HydrophobicContact CG-CG1 3.77Å; Y586-F619 HydrophobicContact CD2-CB 4.04Å; Y586-F619 AromaticContact CD2-CD1 3.73Å; Y586-F619 HydrophobicContact CD2-CD1 3.73Å; Y586-F619 HydrophobicContact CD2-CE1 4.27Å; Y586-F619 AromaticContact CD2-CG 3.87Å; Y586-F619 HydrophobicContact CD2-CG 3.87Å; Y586-F619 HydrophobicContact CE2-CG 4.32Å
587	E	95.4	Very high	92	Very high	7 Å²	7	28.2 Å²	28.2	3%	0.033	16%	0.155	C	C	.	.	H	α-helix	trans	-57.6	-29.6	176.4	-75.7	-75.8	153.8	0	0	112.9	T394 T395 T396 C529 G533 R539 H583 Y584 L585 Q589	T394-E587 WeakPolarHBondContact CB-OE2 3.36Å; T395-E587 WeakPolarHBondContact CB-OE1 3.48Å; T395-E587 PolarHBondContact N-OE1 2.9Å; T395-E587 PolarHBondContact N-OE2 3.39Å; T395-E587 VanDerWaalsContact OG1-CD 3.23Å; T395-E587 PolarHBondContact OG1-OE1 3.3Å; T395-E587 PolarHBondContact OG1-OE2 3.48Å; T396-E587 WeakPolarHBondContact CB-OE2 3.41Å; T396-E587 PolarHBondContact N-OE2 3.28Å; T396-E587 PolarHBondContact OG1-OE2 3.31Å; C529-E587 HydrophobicContact CB-CG 4Å; G533-E587 WeakPolarHBondContact CA-O 3.37Å; R539-E587 PolarHBondContact NH1-O 3.33Å; H583-E587 PolarHBondContact O-N 3.48Å; Y584-E587 WeakPolarHBondContact O-CB 2.96Å; Y584-E587 PolarHBondContact O-N 3.49Å; L585-E587 VanDerWaalsContact C-N 3.33Å; L585-E587 PolarHBondContact O-N 3.16Å; E587-Q589 VanDerWaalsContact C-N 3.32Å; E587-Q589 PolarHBondContact O-N 3.29Å
588	T	95.3	Very high	92.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.7	-33.6	178.3	74.8	0	0	0	0	113.1	F532 L535 N536 L585 Y586 D590 F593	F532-T588 HydrophobicContact CB-CG2 3.97Å; F532-T588 HydrophobicContact CD1-CG2 3.83Å; F532-T588 HydrophobicContact CG-CG2 4.4Å; F532-T588 WeakPolarHBondContact O-CG2 3.26Å; L535-T588 HydrophobicContact CD1-CG2 4.21Å; N536-T588 PolarHBondContact ND2-O 2.96Å; L585-T588 WeakPolarHBondContact O-CB 3.41Å; L585-T588 WeakPolarHBondContact O-CG2 3.27Å; L585-T588 PolarHBondContact O-N 3.13Å; L585-T588 VanDerWaalsContact O-N 3.16Å; L585-T588 PolarHBondContact O-OG1 3.28Å; Y586-T588 PolarHBondContact O-N 2.75Å; Y586-T588 VanDerWaalsContact O-N 3.13Å; T588-D590 PolarHBondContact O-N 2.79Å; T588-D590 VanDerWaalsContact O-N 3.07Å; T588-D590 PolarHBondContact OG1-N 2.95Å; T588-D590 VanDerWaalsContact OG1-N 3.08Å; T588-F593 HydrophobicContact CG2-CD1 4Å; T588-F593 HydrophobicContact CG2-CE1 4.16Å
589	Q	94.8	Very high	92.9	Very high	38 Å²	38	34.8 Å²	34.8	18%	0.178	17%	0.169	C	C	.	.			trans	49.7	23.2	-167	-62.7	-67.2	-52	0	0	113.7	T394 Y586 E587	T394-Q589 HydrophobicContact CG2-CG 3.84Å; Y586-Q589 PolarHBondContact O-N 3.47Å; Y586-Q589 VanDerWaalsContact O-N 3.09Å; Y586-Q589 PolarHBondContact O-NE2 3.48Å; E587-Q589 VanDerWaalsContact C-N 3.32Å; E587-Q589 PolarHBondContact O-N 3.29Å
590	D	94.4	Very high	92.9	Very high	39 Å²	39	36.5 Å²	36.5	21%	0.209	17%	0.173	C	C	.	.			trans	-108.2	95.4	-176	-177	-18	0	0	0	110.2	K556 T588 A592 F593 I594	K556-D590 IonicContact NZ-OD2 2.76Å; K556-D590 PolarHBondContact NZ-OD2 3.37Å; T588-D590 PolarHBondContact O-N 2.79Å; T588-D590 VanDerWaalsContact O-N 3.07Å; T588-D590 PolarHBondContact OG1-N 2.95Å; T588-D590 VanDerWaalsContact OG1-N 3.08Å; D590-A592 PolarHBondContact O-N 2.9Å; D590-A592 PolarHBondContact OD1-N 3.38Å; D590-A592 VanDerWaalsContact OD1-N 3.14Å; D590-F593 HydrophobicContact CB-CB 3.85Å; D590-F593 VanDerWaalsContact CG-CB 3.43Å; D590-F593 PolarHBondContact O-N 2.97Å; D590-F593 PolarHBondContact OD1-N 3.3Å; D590-I594 VanDerWaalsContact O-CG1 3.29Å; D590-I594 WeakPolarHBondContact O-CG1 3.3Å; D590-I594 PolarHBondContact O-N 3.16Å
591	K	93.9	Very high	93	Very high	122 Å²	122	35.1 Å²	35.1	53%	0.53	17%	0.167	S	C	.	.	H	α-helix	trans	-57.5	-36.9	-177.2	-57.7	176.5	179.3	172.6	0	112.4	I594 S595 H623	K591-I594 PolarHBondContact O-N 3.34Å; K591-S595 PolarHBondContact O-N 2.9Å; K591-S595 VanDerWaalsContact O-N 3.08Å; K591-S595 PolarHBondContact O-OG 2.96Å; K591-H623 WeakPolarHBondContact CG-NE2 3.37Å
592	A	94.1	Very high	92.9	Very high	58 Å²	58	37.3 Å²	37.3	48%	0.479	18%	0.183	S	C	.	.	H	α-helix	trans	-71.1	-42.5	-179.1	0	0	0	0	0	111.1	D590 I594 S595 Q596	D590-A592 PolarHBondContact O-N 2.9Å; D590-A592 PolarHBondContact OD1-N 3.38Å; D590-A592 VanDerWaalsContact OD1-N 3.14Å; A592-I594 VanDerWaalsContact C-N 3.34Å; A592-I594 PolarHBondContact O-N 3.4Å; A592-S595 PolarHBondContact O-N 3.22Å; A592-Q596 WeakPolarHBondContact O-CG 3.13Å; A592-Q596 PolarHBondContact O-N 2.85Å
593	F	94.4	Very high	92.8	Very high	5 Å²	5	41.8 Å²	41.8	2%	0.022	20%	0.203	C	C	.	.	H	α-helix	trans	-62.4	-41	174.7	-177.4	-103.4	0	0	0	111.9	F532 L535 K556 L559 L560 L585 T588 D590 Q596 A597	F532-F593 HydrophobicContact CD1-CE1 4.32Å; F532-F593 HydrophobicContact CE1-CE1 4.22Å; L535-F593 HydrophobicContact CD1-CE1 3.86Å; L535-F593 HydrophobicContact CD1-CZ 3.82Å; K556-F593 HydrophobicContact CB-CD2 4.4Å; K556-F593 HydrophobicContact CB-CE2 4.03Å; K556-F593 HydrophobicContact CD-CD2 4.24Å; K556-F593 HydrophobicContact CG-CD2 4.3Å; K556-F593 HydrophobicContact CG-CE2 4.14Å; L559-F593 HydrophobicContact CB-CZ 4.22Å; L559-F593 HydrophobicContact CD1-CZ 4.46Å; L560-F593 HydrophobicContact CD1-CD2 4.37Å; L560-F593 HydrophobicContact CD1-CE2 4.21Å; L560-F593 HydrophobicContact CD2-CD2 4.2Å; L560-F593 HydrophobicContact CD2-CE2 3.86Å; L560-F593 HydrophobicContact CD2-CZ 4.42Å; L560-F593 HydrophobicContact CG-CD2 4.29Å; L560-F593 HydrophobicContact CG-CE2 3.75Å; L585-F593 HydrophobicContact CD2-CD1 4.13Å; L585-F593 HydrophobicContact CD2-CE1 3.92Å; T588-F593 HydrophobicContact CG2-CD1 4Å; T588-F593 HydrophobicContact CG2-CE1 4.16Å; D590-F593 HydrophobicContact CB-CB 3.85Å; D590-F593 VanDerWaalsContact CG-CB 3.43Å; D590-F593 PolarHBondContact O-N 2.97Å; D590-F593 PolarHBondContact OD1-N 3.3Å; F593-Q596 PolarHBondContact O-N 2.99Å; F593-A597 WeakPolarHBondContact O-CB 3.39Å; F593-A597 PolarHBondContact O-N 2.8Å
594	I	94.1	Very high	92.7	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-48.9	176.4	-66	170.5	0	0	0	111	L585 D590 K591 A592 Q596 A597 M598 F619 C620 H623	L585-I594 HydrophobicContact CB-CD1 4.45Å; L585-I594 HydrophobicContact CB-CG1 4.08Å; L585-I594 HydrophobicContact CD2-CG1 4.31Å; D590-I594 VanDerWaalsContact O-CG1 3.29Å; D590-I594 WeakPolarHBondContact O-CG1 3.3Å; D590-I594 PolarHBondContact O-N 3.16Å; K591-I594 PolarHBondContact O-N 3.34Å; A592-I594 VanDerWaalsContact C-N 3.34Å; A592-I594 PolarHBondContact O-N 3.4Å; I594-Q596 VanDerWaalsContact C-N 3.27Å; I594-Q596 PolarHBondContact O-N 3.39Å; I594-A597 PolarHBondContact O-N 3.16Å; I594-M598 HydrophobicContact CG2-CG 4.25Å; I594-M598 WeakPolarHBondContact O-CB 3.46Å; I594-M598 WeakPolarHBondContact O-CG 3.33Å; I594-M598 PolarHBondContact O-N 3.44Å; I594-F619 HydrophobicContact CD1-CD1 3.79Å; I594-F619 HydrophobicContact CD1-CE1 3.32Å; I594-F619 HydrophobicContact CD1-CZ 4.3Å; I594-C620 HydrophobicContact CG2-CB 4.48Å; I594-H623 HydrophobicContact CG2-CB 4.09Å
595	S	93.3	Very high	92.5	Very high	40 Å²	40	42.3 Å²	42.3	28%	0.28	21%	0.213	S	C	.	.	H	α-helix	trans	-59.7	-37.4	176.9	-68.7	0	0	0	0	112.6	K591 A592 R599 H623	K591-S595 PolarHBondContact O-N 2.9Å; K591-S595 VanDerWaalsContact O-N 3.08Å; K591-S595 PolarHBondContact O-OG 2.96Å; A592-S595 PolarHBondContact O-N 3.22Å; S595-R599 PolarHBondContact O-N 3.49Å; S595-H623 PolarHBondContact OG-O 2.82Å
596	Q	94.1	Very high	92.4	Very high	101 Å²	101	42.9 Å²	42.9	47%	0.472	22%	0.216	S	C	.	.	H	α-helix	trans	-70	-43.9	176.4	-70.5	173.7	22.1	0	0	112.2	L560 A592 F593 I594 R599 Y600	L560-Q596 HydrophobicContact CD1-CB 4.31Å; L560-Q596 VanDerWaalsContact CD1-OE1 3.29Å; L560-Q596 HydrophobicContact CD2-CB 3.8Å; A592-Q596 WeakPolarHBondContact O-CG 3.13Å; A592-Q596 PolarHBondContact O-N 2.85Å; F593-Q596 PolarHBondContact O-N 2.99Å; I594-Q596 VanDerWaalsContact C-N 3.27Å; I594-Q596 PolarHBondContact O-N 3.39Å; Q596-R599 WeakPolarHBondContact O-CB 3.35Å; Q596-R599 PolarHBondContact O-N 2.68Å; Q596-Y600 WeakPolarHBondContact O-CE2 3.13Å
597	A	91.6	Very high	92.1	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-41.5	179	0	0	0	0	0	111.7	L560 M563 L585 F593 I594 R599 F601	L560-A597 HydrophobicContact CD2-CB 4Å; M563-A597 HydrophobicContact CG-CB 4.34Å; L585-A597 HydrophobicContact CD2-CB 4.04Å; F593-A597 WeakPolarHBondContact O-CB 3.39Å; F593-A597 PolarHBondContact O-N 2.8Å; I594-A597 PolarHBondContact O-N 3.16Å; A597-R599 VanDerWaalsContact C-N 3.31Å; A597-R599 PolarHBondContact O-N 3.38Å; A597-F601 WeakPolarHBondContact O-CE2 3.47Å
598	M	91.6	Very high	91.8	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-78.9	-9.8	-177	-67.8	-56.5	-57.7	0	0	114.2	F578 L581 F582 L585 I594 Y600 F601 V604 C624	F578-M598 HydrophobicContact CE1-CE 4.47Å; L581-M598 HydrophobicContact CD2-SD 4.4Å; F582-M598 HydrophobicContact CE1-CE 3.74Å; F582-M598 HydrophobicContact CE1-SD 3.88Å; F582-M598 HydrophobicContact CZ-CE 4.24Å; L585-M598 HydrophobicContact CD1-CG 4.09Å; L585-M598 HydrophobicContact CD1-SD 3.86Å; I594-M598 HydrophobicContact CG2-CG 4.25Å; I594-M598 WeakPolarHBondContact O-CB 3.46Å; I594-M598 WeakPolarHBondContact O-CG 3.33Å; I594-M598 PolarHBondContact O-N 3.44Å; M598-Y600 PolarHBondContact O-N 3.23Å; M598-F601 HydrophobicContact CE-CB 4.41Å; M598-F601 HydrophobicContact CE-CD2 4.2Å; M598-F601 PolarHBondContact O-N 2.99Å; M598-F601 HydrophobicContact SD-CD2 4.17Å; M598-V604 HydrophobicContact CE-CG2 3.86Å; M598-C624 VanDerWaalsContact CB-SG 3.53Å; M598-C624 VanDerWaalsContact CG-SG 3.58Å
599	R	91.6	Very high	91.4	Very high	177 Å²	177	46.8 Å²	46.8	67%	0.668	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-29.2	179.1	-179.7	174.2	178	-179.2	-1.2	113.4	S595 Q596 A597 F601	S595-R599 PolarHBondContact O-N 3.49Å; Q596-R599 WeakPolarHBondContact O-CB 3.35Å; Q596-R599 PolarHBondContact O-N 2.68Å; A597-R599 VanDerWaalsContact C-N 3.31Å; A597-R599 PolarHBondContact O-N 3.38Å; R599-F601 VanDerWaalsContact C-N 3.3Å; R599-F601 PolarHBondContact O-N 3.22Å
600	Y	88.3	Confident	90.9	Very high	68 Å²	68	49.1 Å²	49.1	27%	0.267	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-7.6	-175.8	-55.8	-70.1	0	0	0	113.6	M563 E564 G567 Q596 M598	M563-Y600 HydrophobicContact CB-CD2 4.19Å; E564-Y600 HydrophobicContact CB-CD1 3.82Å; E564-Y600 HydrophobicContact CB-CD2 4.14Å; E564-Y600 HydrophobicContact CB-CE1 3.67Å; E564-Y600 HydrophobicContact CB-CE2 3.98Å; E564-Y600 HydrophobicContact CB-CG 4.06Å; E564-Y600 HydrophobicContact CG-CD1 3.78Å; E564-Y600 HydrophobicContact CG-CE1 3.58Å; E564-Y600 HydrophobicContact CG-CG 4.47Å; G567-Y600 CarbonylContact C-O 3.32Å; G567-Y600 WeakPolarHBondContact CA-O 3.33Å; Q596-Y600 WeakPolarHBondContact O-CE2 3.13Å; M598-Y600 PolarHBondContact O-N 3.23Å
601	F	88.4	Confident	90.5	Very high	13 Å²	13	50.5 Å²	50.5	6%	0.057	26%	0.256	C	S	.	.			trans	-106.2	124.9	-178.1	-57.8	-81.6	0	0	0	110.4	M563 L566 L576 F578 L581 A597 M598 R599 L627	M563-F601 HydrophobicContact CB-CE2 4.48Å; M563-F601 HydrophobicContact SD-CZ 4.42Å; L566-F601 HydrophobicContact CB-CZ 4.43Å; L576-F601 HydrophobicContact CD2-CE1 3.84Å; L576-F601 HydrophobicContact CD2-CZ 4.25Å; F578-F601 HydrophobicContact CE1-CB 4.43Å; F578-F601 AromaticContact CE1-CD1 3.91Å; F578-F601 HydrophobicContact CE1-CD1 3.91Å; F578-F601 HydrophobicContact CE1-CE1 4.33Å; F578-F601 HydrophobicContact CE1-CG 4.06Å; F578-F601 AromaticContact CZ-CD1 3.85Å; F578-F601 HydrophobicContact CZ-CD1 3.85Å; F578-F601 HydrophobicContact CZ-CE1 4.37Å; F578-F601 HydrophobicContact CZ-CG 4.35Å; L581-F601 HydrophobicContact CD2-CE2 4.35Å; L581-F601 HydrophobicContact CD2-CZ 4.4Å; A597-F601 WeakPolarHBondContact O-CE2 3.47Å; M598-F601 HydrophobicContact CE-CB 4.41Å; M598-F601 HydrophobicContact CE-CD2 4.2Å; M598-F601 PolarHBondContact O-N 2.99Å; M598-F601 HydrophobicContact SD-CD2 4.17Å; R599-F601 VanDerWaalsContact C-N 3.3Å; R599-F601 PolarHBondContact O-N 3.22Å; F601-L627 WeakPolarHBondContact O-CD2 3.29Å
602	S	89.3	Confident	90.1	Very high	59 Å²	59	45.3 Å²	45.3	41%	0.413	23%	0.234	S	C	.	.	S	Bend	trans	-95.5	-16.1	173.5	63.1	0	0	0	0	113.4	R628 T629	S602-R628 WeakPolarHBondContact O-CA 3.35Å; S602-R628 PolarHBondContact O-N 2.68Å; S602-T629 PolarHBondContact O-N 3.05Å; S602-T629 VanDerWaalsContact O-N 3.15Å
603	K	89.6	Confident	89.9	Confident	95 Å²	95	43.5 Å²	43.5	41%	0.413	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.5	-178.6	-58.7	-170.8	176.7	-175.9	0	109.6	F578 T629 E1084	F578-K603 WeakPolarHBondContact CZ-O 3.49Å; K603-T629 WeakPolarHBondContact CA-O 3.49Å; K603-E1084 IonicContact NZ-OE2 3.4Å
604	V	90.3	Very high	89.7	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.2	174.1	168.3	0	0	0	0	108.8	F578 F582 M598 I606 L621 L627 T629 I630 R631	F578-V604 HydrophobicContact CB-CG1 4.4Å; F578-V604 HydrophobicContact CD1-CG1 4.25Å; F578-V604 HydrophobicContact CD1-CG2 4.01Å; F578-V604 HydrophobicContact CE1-CG2 3.8Å; F578-V604 HydrophobicContact CG-CG1 4.16Å; F578-V604 HydrophobicContact CZ-CG2 4.21Å; F582-V604 HydrophobicContact CE2-CG1 4.34Å; F582-V604 HydrophobicContact CZ-CG1 3.97Å; M598-V604 HydrophobicContact CE-CG2 3.86Å; V604-I606 HydrophobicContact CG1-CG1 4.49Å; V604-I606 HydrophobicContact CG1-CG2 3.93Å; V604-L621 HydrophobicContact CG1-CD2 4.45Å; V604-L627 HydrophobicContact CB-CD2 4.36Å; V604-L627 HydrophobicContact CG2-CD1 4.41Å; V604-L627 HydrophobicContact CG2-CD2 3.49Å; V604-L627 VanDerWaalsContact CG2-CD2 3.49Å; V604-T629 PolarHBondContact N-O 2.96Å; V604-T629 VanDerWaalsContact N-O 3.07Å; V604-I630 CarbonylContact O-C 3.54Å; V604-I630 WeakPolarHBondContact O-CA 3.34Å; V604-R631 PolarHBondContact O-N 3.22Å
605	A	89.9	Confident	89.6	Confident	41 Å²	41	44.4 Å²	44.4	34%	0.339	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122	172.1	0	0	0	0	0	109.6	R631	A605-R631 CarbonylContact C-O 3.54Å; A605-R631 VanDerWaalsContact CA-O 3.28Å; A605-R631 WeakPolarHBondContact CA-O 3.38Å; A605-R631 HydrophobicContact CB-CB 4.1Å
606	I	90.6	Very high	89.5	Confident	11 Å²	11	42.5 Å²	42.5	6%	0.056	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146.1	-177.2	49.8	165	0	0	0	112	F578 F582 V604 I608 L621 R631 L632 S633	F578-I606 HydrophobicContact CB-CG2 3.72Å; F582-I606 HydrophobicContact CD2-CG2 4.25Å; F582-I606 HydrophobicContact CE2-CD1 4.29Å; F582-I606 HydrophobicContact CE2-CG2 3.95Å; V604-I606 HydrophobicContact CG1-CG1 4.49Å; V604-I606 HydrophobicContact CG1-CG2 3.93Å; I606-I608 HydrophobicContact CD1-CD1 4.43Å; I606-L621 HydrophobicContact CD1-CD1 3.92Å; I606-R631 PolarHBondContact N-O 3.02Å; I606-L632 HydrophobicContact CD1-CD1 3.71Å; I606-L632 HydrophobicContact CG1-CD1 3.69Å; I606-L632 WeakPolarHBondContact O-CA 3.25Å; I606-S633 PolarHBondContact O-N 2.76Å
607	N	89.8	Confident	89.6	Confident	69 Å²	69	37.7 Å²	37.7	37%	0.369	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.6	174.1	-171.8	24.4	0	0	0	109.5	L579 C609 S633	L579-N607 WeakPolarHBondContact CD2-O 3.4Å; N607-C609 PolarHBondContact ND2-SG 2.76Å; N607-S633 CarbonylContact C-O 3.56Å; N607-S633 WeakPolarHBondContact CA-O 3.39Å; N607-S633 WeakPolarHBondContact OD1-CB 3.39Å; N607-S633 PolarHBondContact OD1-O 3.35Å; N607-S633 PolarHBondContact OD1-OG 2.66Å
608	I	89.4	Confident	89.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	100.9	-178	-62.6	-179.2	0	0	0	108.7	I606 H613 L614 L632 S633 V634 T635 F638 L664	I606-I608 HydrophobicContact CD1-CD1 4.43Å; I608-H613 HydrophobicContact CB-CB 4.34Å; I608-H613 HydrophobicContact CG1-CB 4.41Å; I608-H613 HydrophobicContact CG2-CB 4.03Å; I608-L614 HydrophobicContact CD1-CD1 4.05Å; I608-L614 HydrophobicContact CG2-CB 3.98Å; I608-L632 HydrophobicContact CB-CD1 4.42Å; I608-L632 HydrophobicContact CD1-CD1 3.43Å; I608-L632 VanDerWaalsContact CD1-CD1 3.43Å; I608-L632 HydrophobicContact CD1-CD2 4.41Å; I608-L632 HydrophobicContact CG1-CD1 3.61Å; I608-S633 PolarHBondContact N-O 2.96Å; I608-V634 HydrophobicContact CB-CG2 4.41Å; I608-T635 PolarHBondContact O-N 3.16Å; I608-F638 HydrophobicContact CG2-CE2 3.85Å; I608-F638 HydrophobicContact CG2-CZ 3.83Å; I608-L664 HydrophobicContact CD1-CD1 3.78Å
609	C	87.1	Confident	89.8	Confident	42 Å²	42	39 Å²	39	28%	0.284	19%	0.19	S	C	.	.			trans	-106	-14.6	177.7	-49.9	0	0	0	0	114.4	N607 H613 T635 T636	N607-C609 PolarHBondContact ND2-SG 2.76Å; C609-H613 PolarHBondContact N-ND1 3.04Å; C609-T635 PolarHBondContact SG-OG1 3.15Å; C609-T635 VanDerWaalsContact SG-OG1 3.4Å; C609-T636 WeakPolarHBondContact O-CB 3.49Å; C609-T636 PolarHBondContact O-OG1 3.48Å
610	E	83.9	Confident	89.9	Confident	86 Å²	86	30.6 Å²	30.6	40%	0.402	16%	0.159	S	C	.	.	S	Bend	trans	-139.7	161.5	-171.3	-63.8	177.3	-165.3	0	0	109.8	I612 H613 L614	E610-I612 VanDerWaalsContact C-N 3.27Å; E610-I612 HydrophobicContact CB-CG2 4.04Å; E610-I612 PolarHBondContact O-N 2.88Å; E610-H613 PolarHBondContact N-ND1 3.06Å; E610-H613 VanDerWaalsContact N-ND1 3.17Å; E610-H613 WeakPolarHBondContact O-CB 3.44Å; E610-H613 PolarHBondContact O-N 3.4Å; E610-H613 VanDerWaalsContact O-N 3.11Å; E610-H613 IonicContact OE2-CE1 3.69Å; E610-L614 PolarHBondContact O-N 3.11Å
611	K	85.1	Confident	90.2	Very high	68 Å²	68	27.4 Å²	27.4	30%	0.296	15%	0.146	S	C	.	.	H	α-helix	trans	-61	-40.2	179.8	-75.7	-174.5	175.9	-172.4	0	111.2	H613 L614 L615 F638 D653 W660	K611-H613 PolarHBondContact O-N 3.17Å; K611-L614 PolarHBondContact O-N 3.08Å; K611-L614 VanDerWaalsContact O-N 3.15Å; K611-L615 PolarHBondContact O-N 3.12Å; K611-F638 HydrophobicContact CB-CE1 4.31Å; K611-F638 HydrophobicContact CG-CD1 3.79Å; K611-F638 HydrophobicContact CG-CE1 3.74Å; K611-D653 IonicContact NZ-OD1 3.55Å; K611-D653 PolarHBondContact NZ-OD1 3.1Å; K611-D653 IonicContact NZ-OD2 2.72Å; K611-D653 PolarHBondContact NZ-OD2 3.05Å; K611-W660 HydrophobicContact CB-CZ3 4.33Å
612	I	85.1	Confident	90.4	Very high	13 Å²	13	30.3 Å²	30.3	7%	0.067	16%	0.159	C	C	.	.	H	α-helix	trans	-60.8	-34.7	177.6	-169.6	61.2	0	0	0	112.4	H583 E610 L614 L615 V616	H583-I612 VanDerWaalsContact CE1-CG1 3.41Å; H583-I612 WeakPolarHBondContact CE1-CG1 3.5Å; E610-I612 VanDerWaalsContact C-N 3.27Å; E610-I612 HydrophobicContact CB-CG2 4.04Å; E610-I612 PolarHBondContact O-N 2.88Å; I612-L614 VanDerWaalsContact C-N 3.32Å; I612-L614 PolarHBondContact O-N 3.41Å; I612-L615 HydrophobicContact CD1-CB 4.5Å; I612-L615 HydrophobicContact CD1-CD2 3.89Å; I612-L615 PolarHBondContact O-N 3.46Å; I612-V616 HydrophobicContact CD1-CG1 4.14Å; I612-V616 HydrophobicContact CG1-CG1 4.31Å; I612-V616 WeakPolarHBondContact O-CG1 3.28Å; I612-V616 WeakPolarHBondContact O-CG2 3.42Å; I612-V616 PolarHBondContact O-N 2.78Å
613	H	90.4	Very high	90.5	Very high	20 Å²	20	29.1 Å²	29.1	9%	0.093	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-39.8	177.2	-60.9	154.7	0	0	0	111.6	L579 H583 I608 C609 E610 K611 S617	L579-H613 HydrophobicContact CD1-CB 3.82Å; L579-H613 HydrophobicContact CD2-CB 4.3Å; L579-H613 VanDerWaalsContact CD2-CD2 3.41Å; L579-H613 WeakPolarHBondContact CD2-CD2 3.37Å; H583-H613 AromaticContact NE2-CD2 3.5Å; H583-H613 AromaticContact NE2-NE2 3.95Å; I608-H613 HydrophobicContact CB-CB 4.34Å; I608-H613 HydrophobicContact CG1-CB 4.41Å; I608-H613 HydrophobicContact CG2-CB 4.03Å; C609-H613 PolarHBondContact N-ND1 3.04Å; E610-H613 PolarHBondContact N-ND1 3.06Å; E610-H613 VanDerWaalsContact N-ND1 3.17Å; E610-H613 WeakPolarHBondContact O-CB 3.44Å; E610-H613 PolarHBondContact O-N 3.4Å; E610-H613 VanDerWaalsContact O-N 3.11Å; E610-H613 IonicContact OE2-CE1 3.69Å; K611-H613 PolarHBondContact O-N 3.17Å; H613-S617 WeakPolarHBondContact O-CB 3.39Å; H613-S617 PolarHBondContact O-N 3.44Å; H613-S617 VanDerWaalsContact O-N 3.08Å; H613-S617 PolarHBondContact O-OG 2.8Å
614	L	90.8	Very high	90.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.9	-42.4	174.8	-178.6	58.7	0	0	0	111.6	I608 E610 K611 I612 S618 F638 I657 W660 W661 L664	I608-L614 HydrophobicContact CD1-CD1 4.05Å; I608-L614 HydrophobicContact CG2-CB 3.98Å; E610-L614 PolarHBondContact O-N 3.11Å; K611-L614 PolarHBondContact O-N 3.08Å; K611-L614 VanDerWaalsContact O-N 3.15Å; I612-L614 VanDerWaalsContact C-N 3.32Å; I612-L614 PolarHBondContact O-N 3.41Å; L614-S618 VanDerWaalsContact O-CB 3.23Å; L614-S618 WeakPolarHBondContact O-CB 3.41Å; L614-S618 PolarHBondContact O-N 3.08Å; L614-S618 PolarHBondContact O-OG 3.49Å; L614-F638 HydrophobicContact CB-CE2 4.43Å; L614-F638 HydrophobicContact CB-CZ 4.44Å; L614-F638 HydrophobicContact CD2-CD2 4Å; L614-F638 HydrophobicContact CD2-CE2 4.06Å; L614-I657 HydrophobicContact CD2-CG2 4.21Å; L614-W660 HydrophobicContact CB-CE3 4.48Å; L614-W660 HydrophobicContact CD1-CB 4.48Å; L614-W660 HydrophobicContact CD2-CB 4.22Å; L614-W660 HydrophobicContact CD2-CE3 4.15Å; L614-W660 HydrophobicContact CG-CB 3.89Å; L614-W660 HydrophobicContact CG-CE3 4.21Å; L614-W661 HydrophobicContact CD1-CD2 3.97Å; L614-W661 HydrophobicContact CD1-CE3 3.89Å; L614-W661 HydrophobicContact CD1-CH2 3.92Å; L614-W661 HydrophobicContact CD1-CZ2 4.04Å; L614-W661 HydrophobicContact CD1-CZ3 3.86Å; L614-W661 HydrophobicContact CD2-CD2 4.2Å; L614-W661 HydrophobicContact CD2-CG 4.48Å; L614-W661 HydrophobicContact CD2-CZ2 4.01Å; L614-L664 HydrophobicContact CD1-CD1 3.68Å
615	L	90.7	Very high	90.5	Very high	24 Å²	24	33.3 Å²	33.3	13%	0.126	16%	0.16	C	C	.	.	H	α-helix	trans	-59.1	-53.2	176.6	171.6	61.3	0	0	0	112.1	Y586 K611 I612 S617 S618 F619 W660	Y586-L615 HydrophobicContact CE2-CD1 4.16Å; Y586-L615 HydrophobicContact CE2-CD2 4.27Å; Y586-L615 HydrophobicContact CE2-CG 4.05Å; K611-L615 PolarHBondContact O-N 3.12Å; I612-L615 HydrophobicContact CD1-CB 4.5Å; I612-L615 HydrophobicContact CD1-CD2 3.89Å; I612-L615 PolarHBondContact O-N 3.46Å; L615-S617 PolarHBondContact O-N 3.07Å; L615-S618 PolarHBondContact O-OG 2.76Å; L615-F619 WeakPolarHBondContact O-CB 3.35Å; L615-F619 PolarHBondContact O-N 3.1Å; L615-F619 VanDerWaalsContact O-N 3.1Å; L615-W660 HydrophobicContact CB-CD2 4.23Å; L615-W660 HydrophobicContact CB-CE3 4.4Å; L615-W660 HydrophobicContact CB-CH2 4.26Å; L615-W660 HydrophobicContact CB-CZ2 4.08Å; L615-W660 HydrophobicContact CB-CZ3 4.42Å; L615-W660 HydrophobicContact CD1-CD2 4.4Å; L615-W660 HydrophobicContact CD1-CZ2 3.87Å; L615-W660 HydrophobicContact CD2-CZ2 4.27Å; L615-W660 HydrophobicContact CG-CZ2 4.29Å
616	V	93	Very high	90.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-70.2	-35.2	-176.6	-57.1	0	0	0	0	112.1	L579 F582 Y586 I612 C620	L579-V616 HydrophobicContact CD1-CG2 4.17Å; F582-V616 HydrophobicContact CB-CB 4.23Å; F582-V616 HydrophobicContact CB-CG2 3.95Å; Y586-V616 HydrophobicContact CD1-CG1 4.07Å; Y586-V616 HydrophobicContact CD2-CG1 4.25Å; Y586-V616 HydrophobicContact CG-CB 4.46Å; Y586-V616 HydrophobicContact CG-CG1 3.77Å; I612-V616 HydrophobicContact CD1-CG1 4.14Å; I612-V616 HydrophobicContact CG1-CG1 4.31Å; I612-V616 WeakPolarHBondContact O-CG1 3.28Å; I612-V616 WeakPolarHBondContact O-CG2 3.42Å; I612-V616 PolarHBondContact O-N 2.78Å; V616-C620 WeakPolarHBondContact O-CB 3.49Å; V616-C620 PolarHBondContact O-N 2.88Å; V616-C620 PolarHBondContact O-SG 2.89Å
617	S	94.6	Very high	90.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.8	-44.2	177.8	-58.6	0	0	0	0	111.8	H613 L615 C620 L621	H613-S617 WeakPolarHBondContact O-CB 3.39Å; H613-S617 PolarHBondContact O-N 3.44Å; H613-S617 VanDerWaalsContact O-N 3.08Å; H613-S617 PolarHBondContact O-OG 2.8Å; L615-S617 PolarHBondContact O-N 3.07Å; S617-C620 PolarHBondContact O-N 3.44Å; S617-L621 VanDerWaalsContact O-CB 3.24Å; S617-L621 WeakPolarHBondContact O-CB 3.5Å; S617-L621 VanDerWaalsContact O-CG 3.3Å; S617-L621 WeakPolarHBondContact O-CG 3.4Å; S617-L621 PolarHBondContact O-N 3.37Å
618	S	94	Very high	90.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.007	17%	0.165	C	C	.	.	H	α-helix	trans	-61.9	-44.8	176.6	62	0	0	0	0	111.7	L614 L615 C620 K622 W660	L614-S618 VanDerWaalsContact O-CB 3.23Å; L614-S618 WeakPolarHBondContact O-CB 3.41Å; L614-S618 PolarHBondContact O-N 3.08Å; L614-S618 PolarHBondContact O-OG 3.49Å; L615-S618 PolarHBondContact O-OG 2.76Å; S618-C620 PolarHBondContact O-N 3.37Å; S618-K622 VanDerWaalsContact O-CB 3.25Å; S618-K622 WeakPolarHBondContact O-CB 3.33Å; S618-K622 PolarHBondContact O-N 3.01Å; S618-W660 WeakPolarHBondContact CB-O 3.16Å
619	F	93.4	Very high	91	Very high	29 Å²	29	38 Å²	38	13%	0.127	17%	0.171	C	C	.	.	H	α-helix	trans	-61.5	-43.2	177.5	-172.8	-103.2	0	0	0	112.7	Y586 I594 L615 H623	Y586-F619 HydrophobicContact CD2-CB 4.04Å; Y586-F619 AromaticContact CD2-CD1 3.73Å; Y586-F619 HydrophobicContact CD2-CD1 3.73Å; Y586-F619 HydrophobicContact CD2-CE1 4.27Å; Y586-F619 AromaticContact CD2-CG 3.87Å; Y586-F619 HydrophobicContact CD2-CG 3.87Å; Y586-F619 HydrophobicContact CE2-CG 4.32Å; I594-F619 HydrophobicContact CD1-CD1 3.79Å; I594-F619 HydrophobicContact CD1-CE1 3.32Å; I594-F619 HydrophobicContact CD1-CZ 4.3Å; L615-F619 WeakPolarHBondContact O-CB 3.35Å; L615-F619 PolarHBondContact O-N 3.1Å; L615-F619 VanDerWaalsContact O-N 3.1Å; F619-H623 PolarHBondContact O-CD2 2.89Å
620	C	94.8	Very high	91.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-76.3	-47.4	-178.2	-65.3	0	0	0	0	112.5	F582 I594 V616 S617 S618 K622 H623 C624	F582-C620 HydrophobicContact CB-CB 4.35Å; F582-C620 HydrophobicContact CD1-CB 3.61Å; F582-C620 HydrophobicContact CD2-CB 4.14Å; F582-C620 HydrophobicContact CE1-CB 3.8Å; F582-C620 HydrophobicContact CE2-CB 4.29Å; F582-C620 HydrophobicContact CG-CB 3.79Å; F582-C620 HydrophobicContact CZ-CB 4.13Å; I594-C620 HydrophobicContact CG2-CB 4.48Å; V616-C620 WeakPolarHBondContact O-CB 3.49Å; V616-C620 PolarHBondContact O-N 2.88Å; V616-C620 PolarHBondContact O-SG 2.89Å; S617-C620 PolarHBondContact O-N 3.44Å; S618-C620 PolarHBondContact O-N 3.37Å; C620-K622 VanDerWaalsContact C-N 3.34Å; C620-K622 PolarHBondContact O-N 2.94Å; C620-H623 PolarHBondContact O-N 2.76Å; C620-H623 VanDerWaalsContact O-N 3.1Å; C620-C624 PolarHBondContact O-SG 3.18Å
621	L	94.3	Very high	91.7	Very high	1 Å²	1	37 Å²	37	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-65.2	-36	-175.2	-72.3	173.7	0	0	0	112.5	F582 V604 I606 S617 H623 C624 L627 I630 L664	F582-L621 HydrophobicContact CE2-CD1 4.46Å; F582-L621 HydrophobicContact CE2-CD2 4.17Å; F582-L621 HydrophobicContact CE2-CG 3.96Å; F582-L621 HydrophobicContact CZ-CD2 3.87Å; F582-L621 HydrophobicContact CZ-CG 4.1Å; V604-L621 HydrophobicContact CG1-CD2 4.45Å; I606-L621 HydrophobicContact CD1-CD1 3.92Å; S617-L621 VanDerWaalsContact O-CB 3.24Å; S617-L621 WeakPolarHBondContact O-CB 3.5Å; S617-L621 VanDerWaalsContact O-CG 3.3Å; S617-L621 WeakPolarHBondContact O-CG 3.4Å; S617-L621 PolarHBondContact O-N 3.37Å; L621-H623 PolarHBondContact O-N 2.88Å; L621-C624 WeakPolarHBondContact O-CB 3.49Å; L621-C624 PolarHBondContact O-N 3.18Å; L621-L627 HydrophobicContact CD2-CD1 3.72Å; L621-I630 HydrophobicContact CD2-CD1 4.43Å; L621-L664 HydrophobicContact CD1-CG 4.21Å
622	K	93.1	Very high	92	Very high	74 Å²	74	34 Å²	34	32%	0.322	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.1	173.6	179.4	169.6	179	171.9	0	113.8	S618 C620 D663	S618-K622 VanDerWaalsContact O-CB 3.25Å; S618-K622 WeakPolarHBondContact O-CB 3.33Å; S618-K622 PolarHBondContact O-N 3.01Å; C620-K622 VanDerWaalsContact C-N 3.34Å; C620-K622 PolarHBondContact O-N 2.94Å; K622-D663 HydrophobicContact CD-CB 3.86Å; K622-D663 VanDerWaalsContact CD-CG 3.4Å; K622-D663 WeakPolarHBondContact CD-OD1 3.32Å; K622-D663 WeakPolarHBondContact CD-OD2 3.26Å; K622-D663 WeakPolarHBondContact CE-OD1 3.47Å; K622-D663 IonicContact NZ-OD1 2.73Å; K622-D663 PolarHBondContact NZ-OD1 2.96Å; K622-D663 IonicContact NZ-OD2 3.36Å; K622-D663 PolarHBondContact NZ-OD2 3.4Å
623	H	91.3	Very high	92.3	Very high	35 Å²	35	34.5 Å²	34.5	16%	0.162	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	5.2	-178.4	-64.3	-45.8	0	0	0	113.6	K591 I594 S595 F619 C620 L621	K591-H623 WeakPolarHBondContact CG-NE2 3.37Å; I594-H623 HydrophobicContact CG2-CB 4.09Å; S595-H623 PolarHBondContact OG-O 2.82Å; F619-H623 PolarHBondContact O-CD2 2.89Å; C620-H623 PolarHBondContact O-N 2.76Å; C620-H623 VanDerWaalsContact O-N 3.1Å; L621-H623 PolarHBondContact O-N 2.88Å
624	C	91	Very high	92.1	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.014	15%	0.145	C	C	.	.			trans	-89.6	128.7	178.2	-65.9	0	0	0	0	111.7	M598 C620 L621 L627	M598-C624 VanDerWaalsContact CB-SG 3.53Å; M598-C624 VanDerWaalsContact CG-SG 3.58Å; C620-C624 PolarHBondContact O-SG 3.18Å; L621-C624 WeakPolarHBondContact O-CB 3.49Å; L621-C624 PolarHBondContact O-N 3.18Å; C624-L627 HydrophobicContact CB-CD1 3.55Å; C624-L627 HydrophobicContact CB-CG 3.91Å
625	R	88.8	Confident	91.7	Very high	184 Å²	184	37.2 Å²	37.2	69%	0.694	17%	0.167	S	C	*	.			trans	-119	-9.2	-177.2	-61.5	-170.5	-178.6	-176.2	-0	115.7	N671	R625-N671 PolarHBondContact O-OD1 2.91Å
626	C	90.1	Very high	90.9	Very high	39 Å²	39	38.6 Å²	38.6	26%	0.264	18%	0.177	S	C	.	.	S	Bend	trans	-114.7	3.5	-172.2	-60.4	0	0	0	0	114.2
627	L	92.7	Very high	89.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.191	C	C	.	.			trans	-66.2	136.1	178.4	-54.9	172.3	0	0	0	111	F601 V604 L621 C624 I630 V667 N671 H673 L674	F601-L627 WeakPolarHBondContact O-CD2 3.29Å; V604-L627 HydrophobicContact CB-CD2 4.36Å; V604-L627 HydrophobicContact CG2-CD1 4.41Å; V604-L627 HydrophobicContact CG2-CD2 3.49Å; V604-L627 VanDerWaalsContact CG2-CD2 3.49Å; L621-L627 HydrophobicContact CD2-CD1 3.72Å; C624-L627 HydrophobicContact CB-CD1 3.55Å; C624-L627 HydrophobicContact CB-CG 3.91Å; L627-I630 HydrophobicContact CD1-CD1 3.91Å; L627-I630 HydrophobicContact CD1-CG1 3.97Å; L627-V667 HydrophobicContact CD1-CG2 4.35Å; L627-N671 VanDerWaalsContact CB-ND2 3.33Å; L627-N671 WeakPolarHBondContact CB-ND2 3.33Å; L627-N671 PolarHBondContact N-ND2 2.99Å; L627-N671 PolarHBondContact O-ND2 3.21Å; L627-N671 PolarHBondContact O-OD1 3.39Å; L627-N671 VanDerWaalsContact O-OD1 3.14Å; L627-H673 CarbonylContact O-C 3.59Å; L627-L674 HydrophobicContact CB-CD1 4.31Å; L627-L674 VanDerWaalsContact O-CA 3.23Å; L627-L674 WeakPolarHBondContact O-CA 3.3Å; L627-L674 PolarHBondContact O-N 3.15Å; L627-L674 VanDerWaalsContact O-N 3.1Å
628	R	93.3	Very high	88.5	Confident	161 Å²	161	41.5 Å²	41.5	61%	0.608	19%	0.193	S	C	*	.	S	Bend	trans	-102.9	-33.6	170.2	-66.5	-172.6	177.5	-163.1	0.7	112.3	S602 R675 E676	S602-R628 WeakPolarHBondContact O-CA 3.35Å; S602-R628 PolarHBondContact O-N 2.68Å; R628-R675 PolarHBondContact O-N 3.12Å; R628-E676 PolarHBondContact O-N 3.14Å
629	T	93.3	Very high	86.8	Confident	19 Å²	19	48 Å²	48	12%	0.117	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	133.1	-178.2	-51.7	0	0	0	0	110.9	S602 K603 V604 E676	S602-T629 PolarHBondContact O-N 3.05Å; S602-T629 VanDerWaalsContact O-N 3.15Å; K603-T629 WeakPolarHBondContact CA-O 3.49Å; V604-T629 PolarHBondContact N-O 2.96Å; V604-T629 VanDerWaalsContact N-O 3.07Å; T629-E676 WeakPolarHBondContact CA-O 3.3Å; T629-E676 HydrophobicContact CG2-CB 4.04Å; T629-E676 HydrophobicContact CG2-CG 4.03Å
630	I	94	Very high	84.9	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.2	169.1	-64.3	171	0	0	0	107.9	V604 L621 L627 V667 L674 E676 L677 D678	V604-I630 CarbonylContact O-C 3.54Å; V604-I630 WeakPolarHBondContact O-CA 3.34Å; L621-I630 HydrophobicContact CD2-CD1 4.43Å; L627-I630 HydrophobicContact CD1-CD1 3.91Å; L627-I630 HydrophobicContact CD1-CG1 3.97Å; I630-V667 HydrophobicContact CD1-CB 4.35Å; I630-V667 HydrophobicContact CD1-CG1 3.57Å; I630-V667 HydrophobicContact CD1-CG2 3.83Å; I630-L674 HydrophobicContact CD1-CD1 3.84Å; I630-L674 HydrophobicContact CD1-CD2 4.04Å; I630-L674 HydrophobicContact CG1-CD1 3.81Å; I630-E676 PolarHBondContact N-O 2.82Å; I630-L677 HydrophobicContact CB-CD1 4.04Å; I630-L677 HydrophobicContact CG2-CD1 4Å; I630-L677 WeakPolarHBondContact O-CA 3.43Å; I630-D678 PolarHBondContact O-N 3.27Å
631	R	92.8	Very high	82.4	Confident	103 Å²	103	60.4 Å²	60.4	39%	0.389	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	123	167.9	-176	177.1	-71	154.2	5.2	109	V604 A605 I606 D678 E1084	V604-R631 PolarHBondContact O-N 3.22Å; A605-R631 CarbonylContact C-O 3.54Å; A605-R631 VanDerWaalsContact CA-O 3.28Å; A605-R631 WeakPolarHBondContact CA-O 3.38Å; A605-R631 HydrophobicContact CB-CB 4.1Å; I606-R631 PolarHBondContact N-O 3.02Å; R631-D678 CarbonylContact C-O 3.58Å; R631-D678 VanDerWaalsContact CA-O 3.27Å; R631-D678 WeakPolarHBondContact CA-O 3.47Å; R631-D678 HydrophobicContact CB-CB 4.14Å; R631-D678 HydrophobicContact CG-CB 4.11Å; R631-D678 IonicContact CZ-OD2 2.57Å; R631-D678 IonicContact NE-OD2 3.58Å; R631-D678 PolarHBondContact NE-OD2 2.97Å; R631-D678 IonicContact NH2-OD2 3.59Å; R631-D678 PolarHBondContact NH2-OD2 3.49Å; R631-E1084 IonicContact NH2-OE1 3.73Å; R631-E1084 PolarHBondContact NH2-OE1 3.27Å
632	L	91.5	Very high	79.6	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.6	-177.6	172.5	65.5	0	0	0	109.9	I606 I608 V634 W661 L664 D678 L679 C680	I606-L632 HydrophobicContact CD1-CD1 3.71Å; I606-L632 HydrophobicContact CG1-CD1 3.69Å; I606-L632 WeakPolarHBondContact O-CA 3.25Å; I608-L632 HydrophobicContact CB-CD1 4.42Å; I608-L632 HydrophobicContact CD1-CD1 3.43Å; I608-L632 VanDerWaalsContact CD1-CD1 3.43Å; I608-L632 HydrophobicContact CD1-CD2 4.41Å; I608-L632 HydrophobicContact CG1-CD1 3.61Å; L632-V634 HydrophobicContact CD1-CG2 4.07Å; L632-V634 HydrophobicContact CD2-CG2 3.99Å; L632-V634 HydrophobicContact CG-CG2 3.87Å; L632-W661 HydrophobicContact CD2-CZ3 4.45Å; L632-L664 HydrophobicContact CD2-CD1 4.35Å; L632-L664 HydrophobicContact CD2-CD2 4.05Å; L632-D678 PolarHBondContact N-O 3.29Å; L632-L679 HydrophobicContact CB-CD2 3.64Å; L632-L679 HydrophobicContact CD2-CD2 3.63Å; L632-L679 HydrophobicContact CG-CD2 3.74Å; L632-L679 WeakPolarHBondContact O-CA 3.41Å; L632-C680 PolarHBondContact O-N 3.45Å; L632-C680 VanDerWaalsContact O-N 3.16Å
633	S	90.1	Very high	76.9	Confident	25 Å²	25	68.7 Å²	68.7	18%	0.175	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	136.3	168.7	165.5	0	0	0	0	108.5	I606 N607 I608 C680 S682	I606-S633 PolarHBondContact O-N 2.76Å; N607-S633 CarbonylContact C-O 3.56Å; N607-S633 WeakPolarHBondContact CA-O 3.39Å; N607-S633 WeakPolarHBondContact OD1-CB 3.39Å; N607-S633 PolarHBondContact OD1-O 3.35Å; N607-S633 PolarHBondContact OD1-OG 2.66Å; I608-S633 PolarHBondContact N-O 2.96Å; S633-C680 WeakPolarHBondContact CA-O 3.49Å; S633-S682 WeakPolarHBondContact CA-OG 3.48Å
634	V	87	Confident	74.3	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	97.2	-178.1	-173.3	0	0	0	0	108.7	I608 L632 F638 W661 S682 N683 L684	I608-V634 HydrophobicContact CB-CG2 4.41Å; L632-V634 HydrophobicContact CD1-CG2 4.07Å; L632-V634 HydrophobicContact CD2-CG2 3.99Å; L632-V634 HydrophobicContact CG-CG2 3.87Å; V634-F638 HydrophobicContact CG1-CE2 4.22Å; V634-W661 HydrophobicContact CG1-CH2 4.12Å; V634-W661 HydrophobicContact CG1-CZ2 4.27Å; V634-W661 HydrophobicContact CG2-CH2 3.87Å; V634-S682 PolarHBondContact N-OG 2.76Å; V634-S682 CarbonylContact O-C 3.48Å; V634-S682 WeakPolarHBondContact O-CA 3.41Å; V634-N683 PolarHBondContact O-N 3.1Å; V634-L684 HydrophobicContact CB-CD2 4.29Å; V634-L684 HydrophobicContact CG1-CD2 4.45Å; V634-L684 HydrophobicContact CG2-CD2 4Å
635	T	82.4	Confident	71.5	Confident	76 Å²	76	81.1 Å²	81.1	47%	0.466	39%	0.39	S	S	.	.			trans	-86.3	-16.1	-172.9	58	0	0	0	0	113.5	I608 C609	I608-T635 PolarHBondContact O-N 3.16Å; C609-T635 PolarHBondContact SG-OG1 3.15Å; C609-T635 VanDerWaalsContact SG-OG1 3.4Å
636	T	74.3	Confident	68.9	Low	53 Å²	53	78.3 Å²	78.3	33%	0.325	40%	0.399	S	S	.	.	S	Bend	trans	-116.4	133.6	-171.3	-54.4	0	0	0	0	110.4	C609 F638	C609-T636 WeakPolarHBondContact O-CB 3.49Å; C609-T636 PolarHBondContact O-OG1 3.48Å; T636-F638 HydrophobicContact CG2-CE1 4.36Å
637	V	67.7	Low	66.2	Low	48 Å²	48	83 Å²	83	29%	0.291	42%	0.421	S	S	.	.			trans	-84.7	124.9	174.7	-165.2	0	0	0	0	109.9	E639 N683 D685	V637-E639 VanDerWaalsContact C-N 3.34Å; V637-E639 HydrophobicContact CB-CG 4.16Å; V637-E639 HydrophobicContact CG1-CG 3.45Å; V637-E639 VanDerWaalsContact CG1-CG 3.45Å; V637-E639 PolarHBondContact O-N 3.42Å; V637-N683 HydrophobicContact CG2-CB 3.97Å; V637-N683 WeakPolarHBondContact CG2-ND2 3.27Å; V637-D685 HydrophobicContact CG1-CB 4.3Å
638	F	69.1	Low	63.4	Low	13 Å²	13	88.6 Å²	88.6	6%	0.057	46%	0.457	C	S	.	.			trans	-93.2	63.5	177.2	-58.9	-69.5	0	0	0	110.7	I608 K611 L614 V634 T636 I657 W661	I608-F638 HydrophobicContact CG2-CE2 3.85Å; I608-F638 HydrophobicContact CG2-CZ 3.83Å; K611-F638 HydrophobicContact CB-CE1 4.31Å; K611-F638 HydrophobicContact CG-CD1 3.79Å; K611-F638 HydrophobicContact CG-CE1 3.74Å; L614-F638 HydrophobicContact CB-CE2 4.43Å; L614-F638 HydrophobicContact CB-CZ 4.44Å; L614-F638 HydrophobicContact CD2-CD2 4Å; L614-F638 HydrophobicContact CD2-CE2 4.06Å; V634-F638 HydrophobicContact CG1-CE2 4.22Å; T636-F638 HydrophobicContact CG2-CE1 4.36Å; F638-I657 HydrophobicContact CB-CD1 4.3Å; F638-I657 HydrophobicContact CB-CG2 3.83Å; F638-W661 HydrophobicContact CD2-CZ2 4.06Å; F638-W661 HydrophobicContact CE2-CZ2 4.3Å
639	E	57.1	Low	60.6	Low	137 Å²	137	85.1 Å²	85.1	64%	0.64	45%	0.454	S	S	*	.			trans	-66.8	142.8	-176.3	-63.7	-172.8	165.8	0	0	113.5	V637 K641	V637-E639 VanDerWaalsContact C-N 3.34Å; V637-E639 HydrophobicContact CB-CG 4.16Å; V637-E639 HydrophobicContact CG1-CG 3.45Å; V637-E639 VanDerWaalsContact CG1-CG 3.45Å; V637-E639 PolarHBondContact O-N 3.42Å; E639-K641 PolarHBondContact O-N 3.06Å
640	K	54.7	Low	58	Low	118 Å²	118	89.5 Å²	89.5	51%	0.513	48%	0.477	S	S	.	.			trans	-72.4	90.8	163.2	-68.8	-174.8	-178.7	-175.9	0	109.1	T642 G654	K640-T642 PolarHBondContact O-N 3.4Å; K640-G654 WeakPolarHBondContact CE-O 3.28Å
641	K	42.7	Very low	55.3	Low	172 Å²	172	95 Å²	95	75%	0.748	51%	0.511	S	S	*	.			trans	-68.4	95.7	168.2	-78	-173.8	178.5	178.3	0	109.8	E639 L643	E639-K641 PolarHBondContact O-N 3.06Å; K641-L643 VanDerWaalsContact C-N 3.27Å; K641-L643 PolarHBondContact O-N 3.5Å
642	T	34.3	Very low	52.8	Low	133 Å²	133	97.9 Å²	97.9	82%	0.816	52%	0.522	S	S	*	.			trans	-71.1	87.2	159.7	41.3	0	0	0	0	108.5	K640 K644	K640-T642 PolarHBondContact O-N 3.4Å; T642-K644 PolarHBondContact O-N 3.1Å
643	L	36.9	Very low	50.8	Low	116 Å²	116	102.2 Å²	102.2	61%	0.607	55%	0.545	S	S	*	.			trans	-68.3	110.8	171.6	-83.6	158.6	0	0	0	109.1	K641 T645	K641-L643 VanDerWaalsContact C-N 3.27Å; K641-L643 PolarHBondContact O-N 3.5Å; L643-T645 PolarHBondContact O-N 2.98Å
644	K	36.2	Very low	49	Very low	214 Å²	214	101.9 Å²	101.9	93%	0.93	55%	0.546	S	S	*	.			trans	-71.8	80.2	160	-74.5	-177.5	178.4	177.8	0	108.4	T642	T642-K644 PolarHBondContact O-N 3.1Å
645	T	32.6	Very low	47.8	Very low	84 Å²	84	107.2 Å²	107.2	52%	0.515	57%	0.574	S	S	.	*			trans	-133.9	132.1	166.8	39.1	0	0	0	0	109.5	L643 L647	L643-T645 PolarHBondContact O-N 2.98Å; T645-L647 PolarHBondContact O-N 3.25Å
646	S	33.6	Very low	47.4	Very low	126 Å²	126	108.7 Å²	108.7	88%	0.881	58%	0.575	S	S	*	*	S	Bend	trans	-72.8	61.7	-174.1	52.2	0	0	0	0	113.4
647	L	33.8	Very low	47.8	Very low	136 Å²	136	106.8 Å²	106.8	71%	0.712	56%	0.563	S	S	*	*	S	Bend	trans	-144.9	146.4	159.2	-89.6	123.6	0	0	0	106.8	T645 T649	T645-L647 PolarHBondContact O-N 3.25Å; L647-T649 PolarHBondContact O-N 3.39Å; L647-T649 PolarHBondContact O-OG1 2.95Å
648	P	34.4	Very low	48.6	Very low	118 Å²	118	105.9 Å²	105.9	77%	0.766	56%	0.558	S	S	*	*			trans	-67.4	85.4	179.6	28.9	-32.4	0	0	0	109.2	N650	P648-N650 PolarHBondContact O-N 3.06Å
649	T	33.7	Very low	49.5	Very low	89 Å²	89	109.5 Å²	109.5	55%	0.546	58%	0.575	S	S	.	*			trans	-83.9	102.9	170.3	33.7	0	0	0	0	105.8	L647 T651	L647-T649 PolarHBondContact O-N 3.39Å; L647-T649 PolarHBondContact O-OG1 2.95Å; T649-T651 PolarHBondContact O-N 3.15Å
650	N	39.6	Very low	51.1	Low	110 Å²	110	104.7 Å²	104.7	59%	0.588	55%	0.551	S	S	*	*			trans	-51.8	135.5	-179.4	-75.2	-23	0	0	0	111	P648 W652	P648-N650 PolarHBondContact O-N 3.06Å; N650-W652 HydrophobicContact CB-CD2 4.3Å; N650-W652 HydrophobicContact CB-CG 4.08Å; N650-W652 PolarHBondContact O-N 3.08Å
651	T	35.9	Very low	52.9	Low	121 Å²	121	99.4 Å²	99.4	74%	0.742	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	20.6	177.9	38	0	0	0	0	115.6	T649	T649-T651 PolarHBondContact O-N 3.15Å
652	W	40.6	Very low	55.3	Low	162 Å²	162	95.2 Å²	95.2	61%	0.614	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-25.4	-163	-72.1	4.8	0	0	0	115.9	N650 G654 H656	N650-W652 HydrophobicContact CB-CD2 4.3Å; N650-W652 HydrophobicContact CB-CG 4.08Å; N650-W652 PolarHBondContact O-N 3.08Å; W652-G654 PolarHBondContact O-N 3.01Å; W652-H656 PolarHBondContact O-CD2 2.84Å; W652-H656 VanDerWaalsContact O-CD2 3.24Å
653	D	49.8	Very low	58.1	Low	96 Å²	96	89.9 Å²	89.9	51%	0.513	48%	0.477	S	S	.	.	H	α-helix	trans	-76.9	-23.3	-172.6	-148.2	7.1	0	0	0	112.6	K611 I657	K611-D653 IonicContact NZ-OD1 3.55Å; K611-D653 PolarHBondContact NZ-OD1 3.1Å; K611-D653 IonicContact NZ-OD2 2.72Å; K611-D653 PolarHBondContact NZ-OD2 3.05Å; D653-I657 WeakPolarHBondContact O-CD1 2.95Å
654	G	52.5	Low	60.8	Low	18 Å²	18	85 Å²	85	19%	0.186	45%	0.451	C	S	.	.	H	α-helix	trans	-79.9	-27.3	-175.2	0	0	0	0	0	115.7	K640 W652 T658	K640-G654 WeakPolarHBondContact CE-O 3.28Å; W652-G654 PolarHBondContact O-N 3.01Å; G654-T658 PolarHBondContact O-OG1 3.17Å
655	D	62	Low	63.6	Low	112 Å²	112	75.1 Å²	75.1	60%	0.599	41%	0.41	S	S	*	.	H	α-helix	trans	-82.3	-35	-176.3	-71.9	-16.3	0	0	0	112	T658 H659	D655-T658 PolarHBondContact O-N 2.79Å; D655-H659 PolarHBondContact O-N 3.31Å; D655-H659 VanDerWaalsContact O-N 3.14Å
656	H	73.2	Confident	66.5	Low	106 Å²	106	71.7 Å²	71.7	49%	0.491	39%	0.389	S	S	.	.	H	α-helix	trans	-66.7	-43.6	179.3	-70.8	-57.6	0	0	0	113.2	W652 T658 H659 W660	W652-H656 PolarHBondContact O-CD2 2.84Å; W652-H656 VanDerWaalsContact O-CD2 3.24Å; H656-T658 VanDerWaalsContact C-N 3.29Å; H656-T658 PolarHBondContact O-N 3.19Å; H656-H659 PolarHBondContact O-N 3.11Å; H656-W660 HydrophobicContact CB-CZ2 4.17Å; H656-W660 VanDerWaalsContact O-CG 3.25Å; H656-W660 PolarHBondContact O-N 3.24Å
657	I	82.8	Confident	69.4	Low	13 Å²	13	65.9 Å²	65.9	7%	0.067	35%	0.348	C	S	.	.	H	α-helix	trans	-61.7	-41.4	178.8	-65.4	165.4	0	0	0	110.6	L614 F638 D653 H659 W660 W661	L614-I657 HydrophobicContact CD2-CG2 4.21Å; F638-I657 HydrophobicContact CB-CD1 4.3Å; F638-I657 HydrophobicContact CB-CG2 3.83Å; D653-I657 WeakPolarHBondContact O-CD1 2.95Å; I657-H659 VanDerWaalsContact C-N 3.35Å; I657-H659 PolarHBondContact O-N 3.36Å; I657-W660 HydrophobicContact CG1-CE3 4.22Å; I657-W660 HydrophobicContact CG1-CZ3 4.14Å; I657-W660 PolarHBondContact O-N 3.08Å; I657-W661 PolarHBondContact O-N 2.84Å
658	T	85.2	Confident	72.3	Confident	30 Å²	30	59.6 Å²	59.6	18%	0.184	32%	0.315	C	S	.	.	H	α-helix	trans	-61.1	-45.2	177.2	-52.3	0	0	0	0	110.6	G654 D655 H656 W660 W661 Q662 I691	G654-T658 PolarHBondContact O-OG1 3.17Å; D655-T658 PolarHBondContact O-N 2.79Å; H656-T658 VanDerWaalsContact C-N 3.29Å; H656-T658 PolarHBondContact O-N 3.19Å; T658-W660 PolarHBondContact O-N 3.48Å; T658-W661 PolarHBondContact O-N 3.27Å; T658-Q662 WeakPolarHBondContact O-CG 3.41Å; T658-Q662 PolarHBondContact O-N 2.91Å; T658-I691 HydrophobicContact CG2-CD1 3.97Å
659	H	88.6	Confident	75.1	Confident	88 Å²	88	56.1 Å²	56.1	41%	0.407	29%	0.289	S	S	.	.	H	α-helix	trans	-63.9	-37.3	176.1	-177.6	-76.8	0	0	0	112.5	D655 H656 I657 Q662 D663	D655-H659 PolarHBondContact O-N 3.31Å; D655-H659 VanDerWaalsContact O-N 3.14Å; H656-H659 PolarHBondContact O-N 3.11Å; I657-H659 VanDerWaalsContact C-N 3.35Å; I657-H659 PolarHBondContact O-N 3.36Å; H659-Q662 WeakPolarHBondContact O-CB 3.15Å; H659-Q662 PolarHBondContact O-N 2.98Å; H659-D663 VanDerWaalsContact CE1-CG 3.46Å; H659-D663 IonicContact CE1-OD1 2.72Å; H659-D663 IonicContact CE1-OD2 3.15Å; H659-D663 PolarHBondContact CE1-OD2 3Å; H659-D663 IonicContact ND1-OD2 2.64Å; H659-D663 WeakPolarHBondContact O-CB 3.43Å; H659-D663 PolarHBondContact O-N 2.86Å
660	W	91.1	Very high	77.9	Confident	37 Å²	37	54.6 Å²	54.6	14%	0.14	28%	0.279	C	S	.	.	H	α-helix	trans	-65.9	-38.1	175.6	-59.4	-24.6	0	0	0	112.3	K611 L614 L615 S618 H656 I657 T658 D663 L664	K611-W660 HydrophobicContact CB-CZ3 4.33Å; L614-W660 HydrophobicContact CB-CE3 4.48Å; L614-W660 HydrophobicContact CD1-CB 4.48Å; L614-W660 HydrophobicContact CD2-CB 4.22Å; L614-W660 HydrophobicContact CD2-CE3 4.15Å; L614-W660 HydrophobicContact CG-CB 3.89Å; L614-W660 HydrophobicContact CG-CE3 4.21Å; L615-W660 HydrophobicContact CB-CD2 4.23Å; L615-W660 HydrophobicContact CB-CE3 4.4Å; L615-W660 HydrophobicContact CB-CH2 4.26Å; L615-W660 HydrophobicContact CB-CZ2 4.08Å; L615-W660 HydrophobicContact CB-CZ3 4.42Å; L615-W660 HydrophobicContact CD1-CD2 4.4Å; L615-W660 HydrophobicContact CD1-CZ2 3.87Å; L615-W660 HydrophobicContact CD2-CZ2 4.27Å; L615-W660 HydrophobicContact CG-CZ2 4.29Å; S618-W660 WeakPolarHBondContact CB-O 3.16Å; H656-W660 HydrophobicContact CB-CZ2 4.17Å; H656-W660 VanDerWaalsContact O-CG 3.25Å; H656-W660 PolarHBondContact O-N 3.24Å; I657-W660 HydrophobicContact CG1-CE3 4.22Å; I657-W660 HydrophobicContact CG1-CZ3 4.14Å; I657-W660 PolarHBondContact O-N 3.08Å; T658-W660 PolarHBondContact O-N 3.48Å; W660-D663 PolarHBondContact O-N 3.44Å; W660-L664 VanDerWaalsContact O-CB 3.28Å; W660-L664 WeakPolarHBondContact O-CB 3.44Å; W660-L664 PolarHBondContact O-N 2.94Å
661	W	91.4	Very high	80.4	Confident	6 Å²	6	49.4 Å²	49.4	2%	0.023	25%	0.251	C	S	.	.	H	α-helix	trans	-64	-41.5	172.1	-78.9	124.8	0	0	0	112.3	L614 L632 V634 F638 I657 T658 L664 C665 L684 A688 I691	L614-W661 HydrophobicContact CD1-CD2 3.97Å; L614-W661 HydrophobicContact CD1-CE3 3.89Å; L614-W661 HydrophobicContact CD1-CH2 3.92Å; L614-W661 HydrophobicContact CD1-CZ2 4.04Å; L614-W661 HydrophobicContact CD1-CZ3 3.86Å; L614-W661 HydrophobicContact CD2-CD2 4.2Å; L614-W661 HydrophobicContact CD2-CG 4.48Å; L614-W661 HydrophobicContact CD2-CZ2 4.01Å; L632-W661 HydrophobicContact CD2-CZ3 4.45Å; V634-W661 HydrophobicContact CG1-CH2 4.12Å; V634-W661 HydrophobicContact CG1-CZ2 4.27Å; V634-W661 HydrophobicContact CG2-CH2 3.87Å; F638-W661 HydrophobicContact CD2-CZ2 4.06Å; F638-W661 HydrophobicContact CE2-CZ2 4.3Å; I657-W661 PolarHBondContact O-N 2.84Å; T658-W661 PolarHBondContact O-N 3.27Å; W661-L664 HydrophobicContact CE3-CD1 4.34Å; W661-L664 HydrophobicContact CE3-CD2 4.3Å; W661-L664 HydrophobicContact CZ3-CD1 4Å; W661-L664 HydrophobicContact CZ3-CD2 4.15Å; W661-L664 PolarHBondContact O-N 3.05Å; W661-C665 WeakPolarHBondContact O-CB 3.48Å; W661-C665 PolarHBondContact O-N 3.2Å; W661-C665 PolarHBondContact O-SG 2.76Å; W661-L684 HydrophobicContact CH2-CD2 3.79Å; W661-L684 HydrophobicContact CZ2-CD2 4.19Å; W661-L684 HydrophobicContact CZ3-CD2 4.27Å; W661-A688 HydrophobicContact CD2-CB 3.77Å; W661-A688 HydrophobicContact CE3-CB 4.38Å; W661-A688 HydrophobicContact CG-CB 3.91Å; W661-A688 HydrophobicContact CZ2-CB 4.24Å; W661-I691 HydrophobicContact CB-CD1 3.57Å
662	Q	92.9	Very high	83.1	Confident	84 Å²	84	50.4 Å²	50.4	39%	0.393	25%	0.248	S	C	.	.	H	α-helix	trans	-59.2	-48.4	173.7	-71.8	172.1	-20.9	0	0	111.2	T658 H659 L664 C665 S666 I691	T658-Q662 WeakPolarHBondContact O-CG 3.41Å; T658-Q662 PolarHBondContact O-N 2.91Å; H659-Q662 WeakPolarHBondContact O-CB 3.15Å; H659-Q662 PolarHBondContact O-N 2.98Å; Q662-L664 PolarHBondContact O-N 2.87Å; Q662-C665 PolarHBondContact O-N 3.34Å; Q662-S666 VanDerWaalsContact O-CB 3.32Å; Q662-S666 WeakPolarHBondContact O-CB 3.47Å; Q662-S666 PolarHBondContact O-N 3.35Å; Q662-I691 HydrophobicContact CG-CD1 3.81Å; Q662-I691 HydrophobicContact CG-CG1 4.06Å; Q662-I691 HydrophobicContact CG-CG2 4.15Å
663	D	93.4	Very high	85.6	Confident	22 Å²	22	47 Å²	47	12%	0.118	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-42	179	-83.8	4.8	0	0	0	112.1	K622 H659 W660 S666	K622-D663 HydrophobicContact CD-CB 3.86Å; K622-D663 VanDerWaalsContact CD-CG 3.4Å; K622-D663 WeakPolarHBondContact CD-OD1 3.32Å; K622-D663 WeakPolarHBondContact CD-OD2 3.26Å; K622-D663 WeakPolarHBondContact CE-OD1 3.47Å; K622-D663 IonicContact NZ-OD1 2.73Å; K622-D663 PolarHBondContact NZ-OD1 2.96Å; K622-D663 IonicContact NZ-OD2 3.36Å; K622-D663 PolarHBondContact NZ-OD2 3.4Å; H659-D663 VanDerWaalsContact CE1-CG 3.46Å; H659-D663 IonicContact CE1-OD1 2.72Å; H659-D663 IonicContact CE1-OD2 3.15Å; H659-D663 PolarHBondContact CE1-OD2 3Å; H659-D663 IonicContact ND1-OD2 2.64Å; H659-D663 WeakPolarHBondContact O-CB 3.43Å; H659-D663 PolarHBondContact O-N 2.86Å; W660-D663 PolarHBondContact O-N 3.44Å; D663-S666 PolarHBondContact O-OG 3.23Å
664	L	93.9	Very high	87.8	Confident	12 Å²	12	42.5 Å²	42.5	6%	0.063	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-50.6	176.5	-173.4	152.1	0	0	0	111.5	I608 L614 L621 L632 W660 W661 Q662 S666 V667	I608-L664 HydrophobicContact CD1-CD1 3.78Å; L614-L664 HydrophobicContact CD1-CD1 3.68Å; L621-L664 HydrophobicContact CD1-CG 4.21Å; L632-L664 HydrophobicContact CD2-CD1 4.35Å; L632-L664 HydrophobicContact CD2-CD2 4.05Å; W660-L664 VanDerWaalsContact O-CB 3.28Å; W660-L664 WeakPolarHBondContact O-CB 3.44Å; W660-L664 PolarHBondContact O-N 2.94Å; W661-L664 HydrophobicContact CE3-CD1 4.34Å; W661-L664 HydrophobicContact CE3-CD2 4.3Å; W661-L664 HydrophobicContact CZ3-CD1 4Å; W661-L664 HydrophobicContact CZ3-CD2 4.15Å; W661-L664 PolarHBondContact O-N 3.05Å; Q662-L664 PolarHBondContact O-N 2.87Å; L664-S666 VanDerWaalsContact C-N 3.31Å; L664-S666 PolarHBondContact O-N 2.58Å; L664-V667 WeakPolarHBondContact O-CG1 3.4Å; L664-V667 PolarHBondContact O-N 3.11Å
665	C	94.1	Very high	89.8	Confident	8 Å²	8	45.7 Å²	45.7	5%	0.054	22%	0.221	C	C	.	.	H	α-helix	trans	-74.6	-19.5	-177	-66.5	0	0	0	0	113	W661 Q662 V667 L668 I691 E695	W661-C665 WeakPolarHBondContact O-CB 3.48Å; W661-C665 PolarHBondContact O-N 3.2Å; W661-C665 PolarHBondContact O-SG 2.76Å; Q662-C665 PolarHBondContact O-N 3.34Å; C665-V667 PolarHBondContact O-N 3.46Å; C665-L668 VanDerWaalsContact O-CB 3.31Å; C665-L668 WeakPolarHBondContact O-CB 3.42Å; C665-L668 VanDerWaalsContact O-CG 3.27Å; C665-L668 WeakPolarHBondContact O-CG 3.4Å; C665-L668 PolarHBondContact O-N 3.49Å; C665-I691 HydrophobicContact CB-CG2 3.81Å; C665-E695 HydrophobicContact CB-CB 4.28Å; C665-E695 HydrophobicContact CB-CG 3.77Å
666	S	94.8	Very high	91.4	Very high	12 Å²	12	42 Å²	42	8%	0.084	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-22.4	174.7	75.4	0	0	0	0	113.1	Q662 D663 L664 L668 H669 T670	Q662-S666 VanDerWaalsContact O-CB 3.32Å; Q662-S666 WeakPolarHBondContact O-CB 3.47Å; Q662-S666 PolarHBondContact O-N 3.35Å; D663-S666 PolarHBondContact O-OG 3.23Å; L664-S666 VanDerWaalsContact C-N 3.31Å; L664-S666 PolarHBondContact O-N 2.58Å; S666-L668 PolarHBondContact O-N 3.34Å; S666-L668 VanDerWaalsContact O-N 3.11Å; S666-H669 PolarHBondContact O-N 2.96Å; S666-H669 PolarHBondContact O-ND1 3.15Å; S666-T670 WeakPolarHBondContact O-CB 3.37Å; S666-T670 WeakPolarHBondContact O-CG2 3.13Å; S666-T670 PolarHBondContact O-N 3.27Å; S666-T670 PolarHBondContact O-OG1 3.4Å
667	V	94.7	Very high	92.5	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.024	18%	0.179	C	C	.	.	H	α-helix	trans	-56.1	-26.7	173.6	77.3	0	0	0	0	112.4	L627 I630 L664 C665 H669 T670 N671 L674	L627-V667 HydrophobicContact CD1-CG2 4.35Å; I630-V667 HydrophobicContact CD1-CB 4.35Å; I630-V667 HydrophobicContact CD1-CG1 3.57Å; I630-V667 HydrophobicContact CD1-CG2 3.83Å; L664-V667 WeakPolarHBondContact O-CG1 3.4Å; L664-V667 PolarHBondContact O-N 3.11Å; C665-V667 PolarHBondContact O-N 3.46Å; V667-H669 VanDerWaalsContact C-N 3.32Å; V667-H669 PolarHBondContact O-N 2.83Å; V667-T670 WeakPolarHBondContact CA-OG1 3.44Å; V667-N671 HydrophobicContact CG2-CB 4.24Å; V667-N671 WeakPolarHBondContact O-CB 3.41Å; V667-N671 PolarHBondContact O-N 2.99Å; V667-L674 HydrophobicContact CG1-CD2 4.46Å
668	L	94.1	Very high	93.1	Very high	3 Å²	3	37 Å²	37	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-66.1	-32.4	-178.9	-61.4	-177.7	0	0	0	113.2	C665 S666 L674 L677 L692 E695 L696 C701	C665-L668 VanDerWaalsContact O-CB 3.31Å; C665-L668 WeakPolarHBondContact O-CB 3.42Å; C665-L668 VanDerWaalsContact O-CG 3.27Å; C665-L668 WeakPolarHBondContact O-CG 3.4Å; C665-L668 PolarHBondContact O-N 3.49Å; S666-L668 PolarHBondContact O-N 3.34Å; S666-L668 VanDerWaalsContact O-N 3.11Å; L668-L674 HydrophobicContact CD2-CD2 3.58Å; L668-L677 HydrophobicContact CD1-CD2 4.44Å; L668-L677 HydrophobicContact CD2-CD2 4.08Å; L668-L692 HydrophobicContact CD1-CD1 3.63Å; L668-E695 HydrophobicContact CB-CB 4.39Å; L668-E695 HydrophobicContact CD1-CB 3.97Å; L668-L696 HydrophobicContact CD1-CD2 4.27Å; L668-L696 HydrophobicContact CD1-CG 4.43Å; L668-C701 WeakPolarHBondContact O-CA 3.41Å
669	H	92.4	Very high	93.4	Very high	46 Å²	46	35.9 Å²	35.9	21%	0.213	17%	0.17	C	C	.	.	H	α-helix	trans	-109.3	-18.7	179.5	73.8	-95.8	0	0	0	114.3	S666 V667 E695 H698 N700	S666-H669 PolarHBondContact O-N 2.96Å; S666-H669 PolarHBondContact O-ND1 3.15Å; V667-H669 VanDerWaalsContact C-N 3.32Å; V667-H669 PolarHBondContact O-N 2.83Å; H669-E695 IonicContact CE1-OE1 3.86Å; H669-E695 IonicContact CE1-OE2 3.56Å; H669-E695 PolarHBondContact CE1-OE2 2.82Å; H669-E695 VanDerWaalsContact CE1-OE2 3.28Å; H669-E695 IonicContact CG-OE2 3.75Å; H669-E695 IonicContact ND1-OE1 2.72Å; H669-E695 IonicContact ND1-OE2 3.69Å; H669-E695 PolarHBondContact ND1-OE2 2.82Å; H669-H698 HydrophobicContact CB-CB 3.97Å; H669-H698 VanDerWaalsContact CB-ND1 3.33Å; H669-H698 WeakPolarHBondContact CB-ND1 3.47Å; H669-H698 AromaticContact CD2-CE1 3.99Å; H669-H698 AromaticContact CG-CG 3.99Å; H669-H698 AromaticContact CG-ND1 3.9Å; H669-N700 HydrophobicContact CB-CB 4.23Å; H669-N700 WeakPolarHBondContact O-CB 3.2Å
670	T	92.5	Very high	93.2	Very high	57 Å²	57	32.9 Å²	32.9	35%	0.35	16%	0.159	S	C	.	.	H	α-helix	trans	-85.8	-18.6	178.4	55.5	0	0	0	0	113.1	S666 V667	S666-T670 WeakPolarHBondContact O-CB 3.37Å; S666-T670 WeakPolarHBondContact O-CG2 3.13Å; S666-T670 PolarHBondContact O-N 3.27Å; S666-T670 PolarHBondContact O-OG1 3.4Å; V667-T670 WeakPolarHBondContact CA-OG1 3.44Å
671	N	92.8	Very high	92.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.181	C	C	.	.			trans	-103.8	109.2	179.8	-172.4	-36.1	0	0	0	111.8	R625 L627 V667 H673 L674	R625-N671 PolarHBondContact O-OD1 2.91Å; L627-N671 VanDerWaalsContact CB-ND2 3.33Å; L627-N671 WeakPolarHBondContact CB-ND2 3.33Å; L627-N671 PolarHBondContact N-ND2 2.99Å; L627-N671 PolarHBondContact O-ND2 3.21Å; L627-N671 PolarHBondContact O-OD1 3.39Å; L627-N671 VanDerWaalsContact O-OD1 3.14Å; V667-N671 HydrophobicContact CG2-CB 4.24Å; V667-N671 WeakPolarHBondContact O-CB 3.41Å; V667-N671 PolarHBondContact O-N 2.99Å; N671-H673 VanDerWaalsContact C-N 3.25Å; N671-H673 PolarHBondContact O-N 3.27Å; N671-H673 PolarHBondContact OD1-N 3.19Å; N671-L674 HydrophobicContact CB-CB 4.08Å; N671-L674 PolarHBondContact O-N 2.89Å; N671-L674 PolarHBondContact OD1-N 3.5Å; N671-L674 VanDerWaalsContact OD1-N 3.08Å
672	E	91.4	Very high	92.3	Very high	143 Å²	143	37.3 Å²	37.3	67%	0.668	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-19.5	-176.9	-61.7	-177.1	171.4	0	0	114	R675	E672-R675 PolarHBondContact O-NH1 3.12Å; E672-R675 PolarHBondContact O-NH2 2.86Å
673	H	93.9	Very high	91.6	Very high	90 Å²	90	36.4 Å²	36.4	42%	0.417	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-6.4	-176.2	-60.7	-54	0	0	0	113.7	L627 N671 R675	L627-H673 CarbonylContact O-C 3.59Å; N671-H673 VanDerWaalsContact C-N 3.25Å; N671-H673 PolarHBondContact O-N 3.27Å; N671-H673 PolarHBondContact OD1-N 3.19Å; H673-R675 WeakPolarHBondContact O-CG 3.35Å; H673-R675 PolarHBondContact O-N 3.48Å
674	L	95.6	Very high	91.1	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.175	C	C	.	.			trans	-67.5	126.9	-179.7	-170.1	67.7	0	0	0	110.1	L627 I630 V667 L668 N671 K702 L703	L627-L674 HydrophobicContact CB-CD1 4.31Å; L627-L674 VanDerWaalsContact O-CA 3.23Å; L627-L674 WeakPolarHBondContact O-CA 3.3Å; L627-L674 PolarHBondContact O-N 3.15Å; L627-L674 VanDerWaalsContact O-N 3.1Å; I630-L674 HydrophobicContact CD1-CD1 3.84Å; I630-L674 HydrophobicContact CD1-CD2 4.04Å; I630-L674 HydrophobicContact CG1-CD1 3.81Å; V667-L674 HydrophobicContact CG1-CD2 4.46Å; L668-L674 HydrophobicContact CD2-CD2 3.58Å; N671-L674 HydrophobicContact CB-CB 4.08Å; N671-L674 PolarHBondContact O-N 2.89Å; N671-L674 PolarHBondContact OD1-N 3.5Å; N671-L674 VanDerWaalsContact OD1-N 3.08Å; L674-K702 CarbonylContact O-C 3.48Å; L674-L703 HydrophobicContact CD2-CD1 4.36Å; L674-L703 HydrophobicContact CG-CD1 4.18Å
675	R	95.4	Very high	90.4	Very high	85 Å²	85	36.4 Å²	36.4	32%	0.321	18%	0.179	S	C	.	.			trans	-123.9	-26.7	-178.2	-62.9	-62.7	175.5	-94.6	0.4	112.6	R628 E672 H673 Q704 K705	R628-R675 PolarHBondContact O-N 3.12Å; E672-R675 PolarHBondContact O-NH1 3.12Å; E672-R675 PolarHBondContact O-NH2 2.86Å; H673-R675 WeakPolarHBondContact O-CG 3.35Å; H673-R675 PolarHBondContact O-N 3.48Å; R675-Q704 PolarHBondContact O-N 3.36Å; R675-K705 PolarHBondContact O-N 2.75Å
676	E	96.3	Very high	89.9	Confident	36 Å²	36	41.1 Å²	41.1	17%	0.168	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.6	-174.1	-173.8	173.2	137.9	0	0	112.2	R628 T629 I630 K705 L707	R628-E676 PolarHBondContact O-N 3.14Å; T629-E676 WeakPolarHBondContact CA-O 3.3Å; T629-E676 HydrophobicContact CG2-CB 4.04Å; T629-E676 HydrophobicContact CG2-CG 4.03Å; I630-E676 PolarHBondContact N-O 2.82Å; E676-K705 WeakPolarHBondContact CA-O 3.41Å; E676-K705 HydrophobicContact CB-CB 4.26Å; E676-K705 HydrophobicContact CG-CB 4.03Å; E676-L707 HydrophobicContact CG-CD1 4.48Å
677	L	95.9	Very high	89.3	Confident	10 Å²	10	42.4 Å²	42.4	5%	0.052	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	121	170.8	177.5	67	0	0	0	107.4	I630 L668 L679 L692 L703 K705 L706 L707	I630-L677 HydrophobicContact CB-CD1 4.04Å; I630-L677 HydrophobicContact CG2-CD1 4Å; I630-L677 WeakPolarHBondContact O-CA 3.43Å; L668-L677 HydrophobicContact CD1-CD2 4.44Å; L668-L677 HydrophobicContact CD2-CD2 4.08Å; L677-L679 HydrophobicContact CD1-CG 4.39Å; L677-L679 HydrophobicContact CD2-CD1 3.87Å; L677-L679 HydrophobicContact CD2-CG 4.27Å; L677-L679 HydrophobicContact CG-CD1 4.29Å; L677-L679 HydrophobicContact CG-CG 4.14Å; L677-L692 HydrophobicContact CD2-CD1 3.91Å; L677-L703 HydrophobicContact CB-CD1 3.83Å; L677-L703 HydrophobicContact CB-CD2 3.97Å; L677-K705 PolarHBondContact N-O 3.49Å; L677-L706 HydrophobicContact CB-CD1 4.15Å; L677-L706 HydrophobicContact CD2-CD1 3.77Å; L677-L706 HydrophobicContact CG-CD1 4.2Å; L677-L707 PolarHBondContact O-N 2.8Å
678	D	93.8	Very high	89	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	100.1	-179.5	-172.4	8.5	0	0	0	110.1	I630 R631 L632 C680 L707	I630-D678 PolarHBondContact O-N 3.27Å; R631-D678 CarbonylContact C-O 3.58Å; R631-D678 VanDerWaalsContact CA-O 3.27Å; R631-D678 WeakPolarHBondContact CA-O 3.47Å; R631-D678 HydrophobicContact CB-CB 4.14Å; R631-D678 HydrophobicContact CG-CB 4.11Å; R631-D678 IonicContact CZ-OD2 2.57Å; R631-D678 IonicContact NE-OD2 3.58Å; R631-D678 PolarHBondContact NE-OD2 2.97Å; R631-D678 IonicContact NH2-OD2 3.59Å; R631-D678 PolarHBondContact NH2-OD2 3.49Å; L632-D678 PolarHBondContact N-O 3.29Å; D678-C680 PolarHBondContact OD1-SG 3.02Å; D678-L707 HydrophobicContact CB-CB 4.39Å; D678-L707 HydrophobicContact CB-CD1 3.87Å
679	L	91.8	Very high	88.7	Confident	6 Å²	6	42.6 Å²	42.6	3%	0.031	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	110.7	173.3	-65.9	165.4	0	0	0	108.2	L632 L677 L684 L692 L707 L708 K709 I711	L632-L679 HydrophobicContact CB-CD2 3.64Å; L632-L679 HydrophobicContact CD2-CD2 3.63Å; L632-L679 HydrophobicContact CG-CD2 3.74Å; L632-L679 WeakPolarHBondContact O-CA 3.41Å; L677-L679 HydrophobicContact CD1-CG 4.39Å; L677-L679 HydrophobicContact CD2-CD1 3.87Å; L677-L679 HydrophobicContact CD2-CG 4.27Å; L677-L679 HydrophobicContact CG-CD1 4.29Å; L677-L679 HydrophobicContact CG-CG 4.14Å; L679-L684 HydrophobicContact CD1-CD1 4.25Å; L679-L692 HydrophobicContact CD1-CD2 3.75Å; L679-L707 PolarHBondContact N-O 3.39Å; L679-L708 HydrophobicContact CB-CD2 3.93Å; L679-L708 HydrophobicContact CD1-CD2 3.48Å; L679-L708 VanDerWaalsContact CD1-CD2 3.48Å; L679-L708 HydrophobicContact CG-CD2 4.21Å; L679-L708 CarbonylContact O-C 3.54Å; L679-L708 WeakPolarHBondContact O-CA 3.34Å; L679-K709 PolarHBondContact O-N 2.86Å; L679-I711 HydrophobicContact CB-CD1 3.59Å
680	C	84.8	Confident	88.5	Confident	25 Å²	25	43 Å²	43	17%	0.169	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	140.6	-179.6	-76.3	0	0	0	0	110.2	L632 S633 D678 S682 K709	L632-C680 PolarHBondContact O-N 3.45Å; L632-C680 VanDerWaalsContact O-N 3.16Å; S633-C680 WeakPolarHBondContact CA-O 3.49Å; D678-C680 PolarHBondContact OD1-SG 3.02Å; C680-S682 PolarHBondContact O-N 3.39Å; C680-S682 VanDerWaalsContact O-N 3.07Å; C680-S682 PolarHBondContact O-OG 3.24Å; C680-K709 CarbonylContact C-O 3.39Å; C680-K709 WeakPolarHBondContact CA-O 3.24Å
681	H	81.1	Confident	88.4	Confident	132 Å²	132	40.7 Å²	40.7	61%	0.611	20%	0.198	S	C	*	.	S	Bend	trans	48.7	39.8	174.5	-56.3	-66.9	0	0	0	113.1	K709	H681-K709 PolarHBondContact N-O 2.9Å
682	S	83.1	Confident	88.3	Confident	3 Å²	3	41 Å²	41	2%	0.021	20%	0.199	C	C	.	.			trans	-105.6	130.2	-170.5	-67.1	0	0	0	0	111.1	S633 V634 C680	S633-S682 WeakPolarHBondContact CA-OG 3.48Å; V634-S682 PolarHBondContact N-OG 2.76Å; V634-S682 CarbonylContact O-C 3.48Å; V634-S682 WeakPolarHBondContact O-CA 3.41Å; C680-S682 PolarHBondContact O-N 3.39Å; C680-S682 VanDerWaalsContact O-N 3.07Å; C680-S682 PolarHBondContact O-OG 3.24Å
683	N	78.1	Confident	88.2	Confident	65 Å²	65	35 Å²	35	35%	0.348	17%	0.171	S	C	.	.			trans	-102.4	93	173.6	-162.2	-12	0	0	0	109.3	V634 V637 T712	V634-N683 PolarHBondContact O-N 3.1Å; V637-N683 HydrophobicContact CG2-CB 3.97Å; V637-N683 WeakPolarHBondContact CG2-ND2 3.27Å; N683-T712 PolarHBondContact OD1-OG1 2.68Å
684	L	81.7	Confident	88	Confident	7 Å²	7	36.5 Å²	36.5	4%	0.037	18%	0.179	C	C	.	.			trans	-95.4	124.3	-178.8	-62	177.3	0	0	0	109.3	V634 W661 L679 A688 M689 L692	V634-L684 HydrophobicContact CB-CD2 4.29Å; V634-L684 HydrophobicContact CG1-CD2 4.45Å; V634-L684 HydrophobicContact CG2-CD2 4Å; W661-L684 HydrophobicContact CH2-CD2 3.79Å; W661-L684 HydrophobicContact CZ2-CD2 4.19Å; W661-L684 HydrophobicContact CZ3-CD2 4.27Å; L679-L684 HydrophobicContact CD1-CD1 4.25Å; L684-A688 HydrophobicContact CB-CB 4.29Å; L684-A688 HydrophobicContact CD2-CB 4.35Å; L684-M689 HydrophobicContact CB-CG 3.74Å; L684-M689 HydrophobicContact CB-SD 3.62Å; L684-M689 HydrophobicContact CD1-SD 3.44Å; L684-M689 WeakPolarHBondContact CD1-SD 3.35Å; L684-M689 HydrophobicContact CG-SD 4.15Å; L684-L692 HydrophobicContact CD1-CD2 4.39Å
685	D	80.1	Confident	87.9	Confident	27 Å²	27	37.9 Å²	37.9	14%	0.144	19%	0.185	C	C	.	.			trans	-68	167.8	172.9	70.9	50.6	0	0	0	111.6	V637 S687 A688 M689	V637-D685 HydrophobicContact CG1-CB 4.3Å; D685-S687 PolarHBondContact O-N 2.61Å; D685-S687 VanDerWaalsContact OD1-CA 3.3Å; D685-S687 WeakPolarHBondContact OD1-CA 3.41Å; D685-S687 VanDerWaalsContact OD1-CB 3.26Å; D685-S687 WeakPolarHBondContact OD1-CB 3.08Å; D685-S687 PolarHBondContact OD1-N 2.87Å; D685-A688 PolarHBondContact O-N 3.09Å; D685-A688 PolarHBondContact OD1-N 3.47Å; D685-M689 PolarHBondContact O-N 3.09Å
686	K	82.9	Confident	87.8	Confident	107 Å²	107	33.9 Å²	33.9	47%	0.465	17%	0.17	S	C	.	.	H	α-helix	trans	-57.3	-33.5	-179.5	-176	166.7	-178.4	136.8	0	113.4	N690 D715	K686-N690 WeakPolarHBondContact O-CB 3.48Å; K686-N690 PolarHBondContact O-N 2.76Å; K686-N690 VanDerWaalsContact O-N 3.08Å; K686-N690 PolarHBondContact O-ND2 2.65Å; K686-N690 VanDerWaalsContact O-ND2 3.13Å; K686-D715 VanDerWaalsContact CE-OD2 3.25Å; K686-D715 WeakPolarHBondContact CE-OD2 3.39Å; K686-D715 VanDerWaalsContact NZ-CG 3.32Å; K686-D715 IonicContact NZ-OD1 2.64Å; K686-D715 PolarHBondContact NZ-OD1 3.44Å; K686-D715 VanDerWaalsContact NZ-OD1 3.09Å; K686-D715 IonicContact NZ-OD2 2.71Å; K686-D715 PolarHBondContact NZ-OD2 2.97Å
687	S	83.8	Confident	87.6	Confident	40 Å²	40	36.8 Å²	36.8	28%	0.28	18%	0.179	S	C	.	.	H	α-helix	trans	-72	-45.1	179.1	-52.9	0	0	0	0	110.7	D685 M689 N690 I691	D685-S687 PolarHBondContact O-N 2.61Å; D685-S687 VanDerWaalsContact OD1-CA 3.3Å; D685-S687 WeakPolarHBondContact OD1-CA 3.41Å; D685-S687 VanDerWaalsContact OD1-CB 3.26Å; D685-S687 WeakPolarHBondContact OD1-CB 3.08Å; D685-S687 PolarHBondContact OD1-N 2.87Å; S687-M689 PolarHBondContact O-N 3.47Å; S687-N690 PolarHBondContact O-N 2.93Å; S687-I691 WeakPolarHBondContact O-CD1 3.05Å; S687-I691 VanDerWaalsContact O-CG1 3.3Å; S687-I691 WeakPolarHBondContact O-CG1 3.25Å; S687-I691 PolarHBondContact O-N 3.13Å
688	A	87.6	Confident	87.4	Confident	2 Å²	2	39.3 Å²	39.3	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-44.2	176.5	0	0	0	0	0	111.7	W661 L684 D685 I691 L692	W661-A688 HydrophobicContact CD2-CB 3.77Å; W661-A688 HydrophobicContact CE3-CB 4.38Å; W661-A688 HydrophobicContact CG-CB 3.91Å; W661-A688 HydrophobicContact CZ2-CB 4.24Å; L684-A688 HydrophobicContact CB-CB 4.29Å; L684-A688 HydrophobicContact CD2-CB 4.35Å; D685-A688 PolarHBondContact O-N 3.09Å; D685-A688 PolarHBondContact OD1-N 3.47Å; A688-I691 PolarHBondContact O-N 2.85Å; A688-L692 WeakPolarHBondContact O-CB 3.5Å; A688-L692 PolarHBondContact O-N 3.44Å
689	M	87.3	Confident	87.3	Confident	9 Å²	9	44 Å²	44	4%	0.044	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-43.1	176.6	-74.4	-56.8	-61.8	0	0	112.6	L684 D685 S687 I691 L692 H693 F713 I720	L684-M689 HydrophobicContact CB-CG 3.74Å; L684-M689 HydrophobicContact CB-SD 3.62Å; L684-M689 HydrophobicContact CD1-SD 3.44Å; L684-M689 WeakPolarHBondContact CD1-SD 3.35Å; L684-M689 HydrophobicContact CG-SD 4.15Å; D685-M689 PolarHBondContact O-N 3.09Å; S687-M689 PolarHBondContact O-N 3.47Å; M689-I691 VanDerWaalsContact C-N 3.33Å; M689-I691 PolarHBondContact O-N 3.02Å; M689-L692 PolarHBondContact O-N 2.82Å; M689-L692 HydrophobicContact SD-CD2 4.44Å; M689-H693 VanDerWaalsContact O-CB 3.25Å; M689-H693 WeakPolarHBondContact O-CB 3.34Å; M689-H693 PolarHBondContact O-N 2.93Å; M689-F713 HydrophobicContact CE-CD1 3.84Å; M689-F713 HydrophobicContact CE-CE1 3.67Å; M689-I720 HydrophobicContact CE-CD1 4.01Å
690	N	87.8	Confident	87.3	Confident	53 Å²	53	48 Å²	48	28%	0.283	24%	0.243	S	C	.	.	H	α-helix	trans	-61.8	-40.4	176.1	-77.5	-24.3	0	0	0	112.4	K686 S687 Q694	K686-N690 WeakPolarHBondContact O-CB 3.48Å; K686-N690 PolarHBondContact O-N 2.76Å; K686-N690 VanDerWaalsContact O-N 3.08Å; K686-N690 PolarHBondContact O-ND2 2.65Å; K686-N690 VanDerWaalsContact O-ND2 3.13Å; S687-N690 PolarHBondContact O-N 2.93Å; N690-Q694 VanDerWaalsContact O-CG 3.3Å; N690-Q694 WeakPolarHBondContact O-CG 3.4Å; N690-Q694 PolarHBondContact O-N 3.49Å
691	I	91.2	Very high	87.7	Confident	10 Å²	10	46.8 Å²	46.8	5%	0.051	24%	0.235	C	C	.	.	H	α-helix	trans	-65.8	-50.1	176.7	-68.9	161.3	0	0	0	110.1	T658 W661 Q662 C665 S687 A688 M689 H693 Q694 E695	T658-I691 HydrophobicContact CG2-CD1 3.97Å; W661-I691 HydrophobicContact CB-CD1 3.57Å; Q662-I691 HydrophobicContact CG-CD1 3.81Å; Q662-I691 HydrophobicContact CG-CG1 4.06Å; Q662-I691 HydrophobicContact CG-CG2 4.15Å; C665-I691 HydrophobicContact CB-CG2 3.81Å; S687-I691 WeakPolarHBondContact O-CD1 3.05Å; S687-I691 VanDerWaalsContact O-CG1 3.3Å; S687-I691 WeakPolarHBondContact O-CG1 3.25Å; S687-I691 PolarHBondContact O-N 3.13Å; A688-I691 PolarHBondContact O-N 2.85Å; M689-I691 VanDerWaalsContact C-N 3.33Å; M689-I691 PolarHBondContact O-N 3.02Å; I691-H693 PolarHBondContact O-N 3.05Å; I691-Q694 PolarHBondContact O-N 3.14Å; I691-Q694 VanDerWaalsContact O-N 3.14Å; I691-E695 HydrophobicContact CG2-CG 4.34Å; I691-E695 VanDerWaalsContact O-CG 3.3Å; I691-E695 WeakPolarHBondContact O-CG 3.49Å; I691-E695 PolarHBondContact O-N 3.2Å
692	L	91.5	Very high	88.3	Confident	6 Å²	6	44.2 Å²	44.2	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-53.6	-45.8	177.6	177.3	63.4	0	0	0	111.2	L668 L677 L679 L684 A688 M689 E695 L696 L708	L668-L692 HydrophobicContact CD1-CD1 3.63Å; L677-L692 HydrophobicContact CD2-CD1 3.91Å; L679-L692 HydrophobicContact CD1-CD2 3.75Å; L684-L692 HydrophobicContact CD1-CD2 4.39Å; A688-L692 WeakPolarHBondContact O-CB 3.5Å; A688-L692 PolarHBondContact O-N 3.44Å; M689-L692 PolarHBondContact O-N 2.82Å; M689-L692 HydrophobicContact SD-CD2 4.44Å; L692-E695 PolarHBondContact O-N 2.81Å; L692-L696 HydrophobicContact CD1-CD1 4.46Å; L692-L696 HydrophobicContact CD1-CG 4.46Å; L692-L696 HydrophobicContact CG-CD1 4.15Å; L692-L696 VanDerWaalsContact O-CG 3.27Å; L692-L696 WeakPolarHBondContact O-CG 3.23Å; L692-L696 PolarHBondContact O-N 3.47Å; L692-L708 HydrophobicContact CD2-CD2 4.48Å
693	H	88.5	Confident	88.9	Confident	16 Å²	16	44.1 Å²	44.1	7%	0.074	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-47	176.9	170.4	55.5	0	0	0	113.5	M689 I691 E695 L696 R697 D719 T722 S723	M689-H693 VanDerWaalsContact O-CB 3.25Å; M689-H693 WeakPolarHBondContact O-CB 3.34Å; M689-H693 PolarHBondContact O-N 2.93Å; I691-H693 PolarHBondContact O-N 3.05Å; H693-E695 VanDerWaalsContact C-N 3.28Å; H693-E695 PolarHBondContact O-N 3.36Å; H693-L696 PolarHBondContact O-N 3.1Å; H693-R697 PolarHBondContact CE1-NE 3.14Å; H693-R697 PolarHBondContact CE1-NH2 3.24Å; H693-R697 PolarHBondContact NE2-NE 3.27Å; H693-R697 PolarHBondContact NE2-NH2 2.78Å; H693-R697 PolarHBondContact O-N 2.95Å; H693-D719 HydrophobicContact CB-CB 4.17Å; H693-D719 IonicContact CD2-OD1 2.76Å; H693-D719 VanDerWaalsContact CE1-C 3.49Å; H693-D719 PolarHBondContact CE1-O 2.86Å; H693-D719 PolarHBondContact ND1-O 3.28Å; H693-T722 PolarHBondContact CE1-OG1 2.94Å; H693-S723 PolarHBondContact CE1-OG 3.05Å; H693-S723 VanDerWaalsContact CE1-OG 3.27Å; H693-S723 PolarHBondContact ND1-OG 2.89Å; H693-S723 PolarHBondContact O-OG 3.19Å
694	Q	90.4	Very high	89.7	Confident	123 Å²	123	44.2 Å²	44.2	58%	0.575	22%	0.22	S	C	*	.	H	α-helix	trans	-59.6	-42	176.4	-74.1	173.1	3.9	0	0	111.6	N690 I691 R697 H698	N690-Q694 VanDerWaalsContact O-CG 3.3Å; N690-Q694 WeakPolarHBondContact O-CG 3.4Å; N690-Q694 PolarHBondContact O-N 3.49Å; I691-Q694 PolarHBondContact O-N 3.14Å; I691-Q694 VanDerWaalsContact O-N 3.14Å; Q694-R697 PolarHBondContact O-N 3.29Å; Q694-H698 PolarHBondContact O-N 2.9Å
695	E	93.4	Very high	90.4	Very high	30 Å²	30	48.4 Å²	48.4	14%	0.14	24%	0.237	C	C	.	.	H	α-helix	trans	-69.3	-34	-179.9	-67.8	-62.3	166.9	0	0	112.9	C665 L668 H669 I691 L692 H693 R697 H698	C665-E695 HydrophobicContact CB-CB 4.28Å; C665-E695 HydrophobicContact CB-CG 3.77Å; L668-E695 HydrophobicContact CB-CB 4.39Å; L668-E695 HydrophobicContact CD1-CB 3.97Å; H669-E695 IonicContact CE1-OE1 3.86Å; H669-E695 IonicContact CE1-OE2 3.56Å; H669-E695 PolarHBondContact CE1-OE2 2.82Å; H669-E695 VanDerWaalsContact CE1-OE2 3.28Å; H669-E695 IonicContact CG-OE2 3.75Å; H669-E695 IonicContact ND1-OE1 2.72Å; H669-E695 IonicContact ND1-OE2 3.69Å; H669-E695 PolarHBondContact ND1-OE2 2.82Å; I691-E695 HydrophobicContact CG2-CG 4.34Å; I691-E695 VanDerWaalsContact O-CG 3.3Å; I691-E695 WeakPolarHBondContact O-CG 3.49Å; I691-E695 PolarHBondContact O-N 3.2Å; L692-E695 PolarHBondContact O-N 2.81Å; H693-E695 VanDerWaalsContact C-N 3.28Å; H693-E695 PolarHBondContact O-N 3.36Å; E695-R697 VanDerWaalsContact C-N 3.28Å; E695-R697 PolarHBondContact O-N 3.08Å; E695-H698 VanDerWaalsContact O-CB 3.28Å; E695-H698 WeakPolarHBondContact O-CB 3.33Å; E695-H698 PolarHBondContact O-N 2.68Å
696	L	92.9	Very high	91.1	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-29.5	172.7	-73.9	171	0	0	0	112.9	L668 L692 H693 H698 L703 L706 N727	L668-L696 HydrophobicContact CD1-CD2 4.27Å; L668-L696 HydrophobicContact CD1-CG 4.43Å; L692-L696 HydrophobicContact CD1-CD1 4.46Å; L692-L696 HydrophobicContact CD1-CG 4.46Å; L692-L696 HydrophobicContact CG-CD1 4.15Å; L692-L696 VanDerWaalsContact O-CG 3.27Å; L692-L696 WeakPolarHBondContact O-CG 3.23Å; L692-L696 PolarHBondContact O-N 3.47Å; H693-L696 PolarHBondContact O-N 3.1Å; L696-H698 VanDerWaalsContact C-N 3.32Å; L696-L703 HydrophobicContact CD2-CD2 3.62Å; L696-L706 HydrophobicContact CD1-CD2 3.69Å; L696-L706 HydrophobicContact CD2-CD2 4.2Å; L696-N727 PolarHBondContact O-ND2 2.57Å
697	R	91.9	Very high	91.7	Very high	97 Å²	97	42.6 Å²	42.6	37%	0.366	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.3	175.9	-65.2	-176.1	176.9	-179.9	4.4	113.7	H693 Q694 E695 T722 S723 H726	H693-R697 PolarHBondContact CE1-NE 3.14Å; H693-R697 PolarHBondContact CE1-NH2 3.24Å; H693-R697 PolarHBondContact NE2-NE 3.27Å; H693-R697 PolarHBondContact NE2-NH2 2.78Å; H693-R697 PolarHBondContact O-N 2.95Å; Q694-R697 PolarHBondContact O-N 3.29Å; E695-R697 VanDerWaalsContact C-N 3.28Å; E695-R697 PolarHBondContact O-N 3.08Å; R697-T722 PolarHBondContact NH2-OG1 3.04Å; R697-S723 WeakPolarHBondContact CG-OG 3.45Å; R697-H726 HydrophobicContact CB-CB 4.38Å; R697-H726 HydrophobicContact CG-CB 4.17Å
698	H	92.6	Very high	92.1	Very high	62 Å²	62	40.7 Å²	40.7	29%	0.287	20%	0.198	S	C	.	.	S	Bend	trans	-63.1	134.5	-176.1	-167.8	-79.8	0	0	0	110.6	H669 Q694 E695 L696 N700 C701	H669-H698 HydrophobicContact CB-CB 3.97Å; H669-H698 VanDerWaalsContact CB-ND1 3.33Å; H669-H698 WeakPolarHBondContact CB-ND1 3.47Å; H669-H698 AromaticContact CD2-CE1 3.99Å; H669-H698 AromaticContact CG-CG 3.99Å; H669-H698 AromaticContact CG-ND1 3.9Å; Q694-H698 PolarHBondContact O-N 2.9Å; E695-H698 VanDerWaalsContact O-CB 3.28Å; E695-H698 WeakPolarHBondContact O-CB 3.33Å; E695-H698 PolarHBondContact O-N 2.68Å; L696-H698 VanDerWaalsContact C-N 3.32Å; H698-N700 PolarHBondContact ND1-N 3.05Å; H698-N700 VanDerWaalsContact ND1-N 3.16Å; H698-N700 PolarHBondContact O-N 3.21Å; H698-N700 VanDerWaalsContact O-N 3.13Å; H698-C701 WeakPolarHBondContact O-CB 3.34Å; H698-C701 PolarHBondContact O-N 3.1Å
699	P	90.2	Very high	92.2	Very high	103 Å²	103	43 Å²	43	67%	0.669	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.1	-174.4	23.2	-35.1	0	0	0	114	C701	P699-C701 VanDerWaalsContact C-N 3.32Å
700	N	92.3	Very high	92.2	Very high	89 Å²	89	45 Å²	45	48%	0.476	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-6.3	175.4	-63.5	-15.4	0	0	0	113.7	H669 H698 K702	H669-N700 HydrophobicContact CB-CB 4.23Å; H669-N700 WeakPolarHBondContact O-CB 3.2Å; H698-N700 PolarHBondContact ND1-N 3.05Å; H698-N700 VanDerWaalsContact ND1-N 3.16Å; H698-N700 PolarHBondContact O-N 3.21Å; H698-N700 VanDerWaalsContact O-N 3.13Å; N700-K702 WeakPolarHBondContact O-CG 3.44Å; N700-K702 PolarHBondContact O-N 2.64Å; N700-K702 VanDerWaalsContact O-N 3.12Å
701	C	93.1	Very high	92	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	21%	0.209	C	C	.	.			trans	-65	113.3	177.1	-176.8	0	0	0	0	110.3	L668 H698 P699 N729	L668-C701 WeakPolarHBondContact O-CA 3.41Å; H698-C701 WeakPolarHBondContact O-CB 3.34Å; H698-C701 PolarHBondContact O-N 3.1Å; P699-C701 VanDerWaalsContact C-N 3.32Å; C701-N729 PolarHBondContact O-ND2 2.92Å
702	K	93.8	Very high	91.3	Very high	77 Å²	77	45.7 Å²	45.7	34%	0.335	23%	0.229	S	C	.	.			trans	-99.6	12.5	-179.2	-56	-51	-177.9	-171.2	0	113.5	L674 N700 Q704	L674-K702 CarbonylContact O-C 3.48Å; N700-K702 WeakPolarHBondContact O-CG 3.44Å; N700-K702 PolarHBondContact O-N 2.64Å; N700-K702 VanDerWaalsContact O-N 3.12Å; K702-Q704 PolarHBondContact O-N 2.78Å
703	L	95.3	Very high	90.6	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	23%	0.232	C	C	.	.			trans	-62	130	-178.9	-163.1	74.4	0	0	0	110.7	L674 L677 L696 L706 N729 L730	L674-L703 HydrophobicContact CD2-CD1 4.36Å; L674-L703 HydrophobicContact CG-CD1 4.18Å; L677-L703 HydrophobicContact CB-CD1 3.83Å; L677-L703 HydrophobicContact CB-CD2 3.97Å; L696-L703 HydrophobicContact CD2-CD2 3.62Å; L703-L706 HydrophobicContact CD2-CB 4.12Å; L703-L706 HydrophobicContact CD2-CD1 4.09Å; L703-N729 CarbonylContact O-C 3.4Å; L703-N729 WeakPolarHBondContact O-CB 3.23Å; L703-L730 PolarHBondContact O-N 3.37Å
704	Q	95.6	Very high	89.7	Confident	68 Å²	68	49.2 Å²	49.2	32%	0.318	25%	0.251	S	S	.	.			trans	-110	-27.9	179.7	-66.8	-177.8	-13.8	0	0	112.5	R675 K702 N729 M731 H732	R675-Q704 PolarHBondContact O-N 3.36Å; K702-Q704 PolarHBondContact O-N 2.78Å; Q704-N729 WeakPolarHBondContact CA-O 3.45Å; Q704-M731 HydrophobicContact CB-CE 3.9Å; Q704-M731 HydrophobicContact CG-CE 3.73Å; Q704-M731 PolarHBondContact O-N 2.95Å; Q704-H732 PolarHBondContact O-N 3.18Å
705	K	96	Very high	88.7	Confident	94 Å²	94	46.5 Å²	46.5	41%	0.409	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.1	-179.4	-54.6	-170.9	179.7	176.1	0	110.4	R675 E676 L677 H732	R675-K705 PolarHBondContact O-N 2.75Å; E676-K705 WeakPolarHBondContact CA-O 3.41Å; E676-K705 HydrophobicContact CB-CB 4.26Å; E676-K705 HydrophobicContact CG-CB 4.03Å; L677-K705 PolarHBondContact N-O 3.49Å; K705-H732 WeakPolarHBondContact CA-O 3.49Å; K705-H732 HydrophobicContact CB-CB 4.19Å; K705-H732 HydrophobicContact CG-CB 3.89Å
706	L	95.8	Very high	87.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.7	175.8	180	59.3	0	0	0	108.3	L677 L696 L703 L708 L730 H732 L733 D734	L677-L706 HydrophobicContact CB-CD1 4.15Å; L677-L706 HydrophobicContact CD2-CD1 3.77Å; L677-L706 HydrophobicContact CG-CD1 4.2Å; L696-L706 HydrophobicContact CD1-CD2 3.69Å; L696-L706 HydrophobicContact CD2-CD2 4.2Å; L703-L706 HydrophobicContact CD2-CB 4.12Å; L703-L706 HydrophobicContact CD2-CD1 4.09Å; L706-L708 HydrophobicContact CD1-CD2 3.83Å; L706-L708 HydrophobicContact CD1-CG 4.07Å; L706-L708 HydrophobicContact CD2-CD1 4.03Å; L706-L708 HydrophobicContact CD2-CG 4.33Å; L706-L708 HydrophobicContact CG-CD1 4.14Å; L706-L708 HydrophobicContact CG-CD2 4.21Å; L706-L708 HydrophobicContact CG-CG 3.89Å; L706-L730 HydrophobicContact CB-CD1 3.67Å; L706-L730 HydrophobicContact CB-CD2 4.31Å; L706-L730 HydrophobicContact CD2-CD2 4.2Å; L706-H732 PolarHBondContact N-O 2.67Å; L706-L733 HydrophobicContact CB-CD1 4.27Å; L706-L733 HydrophobicContact CD2-CD1 4.1Å; L706-L733 HydrophobicContact CG-CD1 4.15Å; L706-L733 WeakPolarHBondContact O-CA 2.93Å; L706-D734 PolarHBondContact O-N 2.99Å
707	L	94.6	Very high	86.7	Confident	12 Å²	12	46.5 Å²	46.5	6%	0.063	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119	176.4	-45.7	165	0	0	0	107.2	E676 L677 D678 L679 K709 H732 D734	E676-L707 HydrophobicContact CG-CD1 4.48Å; L677-L707 PolarHBondContact O-N 2.8Å; D678-L707 HydrophobicContact CB-CB 4.39Å; D678-L707 HydrophobicContact CB-CD1 3.87Å; L679-L707 PolarHBondContact N-O 3.39Å; L707-K709 HydrophobicContact CB-CG 4.46Å; L707-H732 WeakPolarHBondContact CD2-NE2 3.49Å; L707-D734 HydrophobicContact CB-CB 4.33Å; L707-D734 HydrophobicContact CD2-CB 3.35Å; L707-D734 HydrophobicContact CG-CB 4.44Å
708	L	91.9	Very high	86.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	72.7	-178.2	-64.9	-178.8	0	0	0	107.5	L679 L692 L706 I711 F713 I720 L733 D734 L735 S738	L679-L708 HydrophobicContact CB-CD2 3.93Å; L679-L708 HydrophobicContact CD1-CD2 3.48Å; L679-L708 VanDerWaalsContact CD1-CD2 3.48Å; L679-L708 HydrophobicContact CG-CD2 4.21Å; L679-L708 CarbonylContact O-C 3.54Å; L679-L708 WeakPolarHBondContact O-CA 3.34Å; L692-L708 HydrophobicContact CD2-CD2 4.48Å; L706-L708 HydrophobicContact CD1-CD2 3.83Å; L706-L708 HydrophobicContact CD1-CG 4.07Å; L706-L708 HydrophobicContact CD2-CD1 4.03Å; L706-L708 HydrophobicContact CD2-CG 4.33Å; L706-L708 HydrophobicContact CG-CD1 4.14Å; L706-L708 HydrophobicContact CG-CD2 4.21Å; L706-L708 HydrophobicContact CG-CG 3.89Å; L708-I711 HydrophobicContact CB-CD1 3.81Å; L708-I711 HydrophobicContact CD2-CD1 3.75Å; L708-I711 HydrophobicContact CG-CD1 4.35Å; L708-F713 HydrophobicContact CB-CZ 4.45Å; L708-F713 HydrophobicContact CD1-CE1 4.42Å; L708-F713 HydrophobicContact CD1-CZ 4.19Å; L708-I720 HydrophobicContact CD1-CD1 3.3Å; L708-I720 HydrophobicContact CD1-CG1 4.14Å; L708-L733 HydrophobicContact CD1-CD1 4.43Å; L708-D734 CarbonylContact C-O 3.37Å; L708-D734 PolarHBondContact N-O 3.41Å; L708-L735 HydrophobicContact CB-CD2 3.86Å; L708-L735 HydrophobicContact CD1-CD2 4.02Å; L708-L735 CarbonylContact O-C 3.6Å; L708-L735 WeakPolarHBondContact O-CA 3.34Å; L708-S738 PolarHBondContact O-OG 3.35Å
709	K	89.8	Confident	85.7	Confident	50 Å²	50	46.4 Å²	46.4	22%	0.217	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.9	-169.6	-59.4	176.8	-175.7	152.1	0	111.2	L679 C680 H681 L707 I711 D734 K736	L679-K709 PolarHBondContact O-N 2.86Å; C680-K709 CarbonylContact C-O 3.39Å; C680-K709 WeakPolarHBondContact CA-O 3.24Å; H681-K709 PolarHBondContact N-O 2.9Å; L707-K709 HydrophobicContact CB-CG 4.46Å; K709-I711 VanDerWaalsContact C-N 3.3Å; K709-I711 PolarHBondContact O-N 2.88Å; K709-D734 WeakPolarHBondContact CE-OD2 3.27Å; K709-K736 CarbonylContact C-O 3.54Å; K709-K736 WeakPolarHBondContact CA-O 3.16Å; K709-K736 HydrophobicContact CG-CB 4.32Å
710	C	86.7	Confident	85.5	Confident	51 Å²	51	41.7 Å²	41.7	35%	0.345	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	47.3	-178.8	-55.2	0	0	0	0	112.2	K736 G737 S738	C710-K736 PolarHBondContact N-O 2.96Å; C710-G737 WeakPolarHBondContact CA-O 2.94Å; C710-S738 PolarHBondContact N-OG 3.29Å
711	I	83.7	Confident	85.2	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.201	C	C	.	.			trans	-107.3	144.9	177.8	-59.5	-175.6	0	0	0	109.2	L679 L708 K709 F713 S738	L679-I711 HydrophobicContact CB-CD1 3.59Å; L708-I711 HydrophobicContact CB-CD1 3.81Å; L708-I711 HydrophobicContact CD2-CD1 3.75Å; L708-I711 HydrophobicContact CG-CD1 4.35Å; K709-I711 VanDerWaalsContact C-N 3.3Å; K709-I711 PolarHBondContact O-N 2.88Å; I711-F713 HydrophobicContact CG2-CE1 4.37Å; I711-F713 HydrophobicContact CG2-CZ 4.43Å; I711-S738 PolarHBondContact N-OG 3.45Å; I711-S738 WeakPolarHBondContact O-CA 3.25Å; I711-S738 WeakPolarHBondContact O-CB 3.33Å; I711-S738 PolarHBondContact O-OG 2.7Å
712	T	77.7	Confident	84.8	Confident	77 Å²	77	40 Å²	40	47%	0.472	22%	0.215	S	C	.	.			trans	-90.7	133.8	171.2	47.5	0	0	0	0	110.3	N683	N683-T712 PolarHBondContact OD1-OG1 2.68Å
713	F	77.1	Confident	84.5	Confident	25 Å²	25	36.3 Å²	36.3	11%	0.11	20%	0.199	C	C	.	.			trans	-105.5	112.4	176.9	-67.8	-70.1	0	0	0	110.6	M689 L708 I711 D715 C717 I720 L735 I740	M689-F713 HydrophobicContact CE-CD1 3.84Å; M689-F713 HydrophobicContact CE-CE1 3.67Å; L708-F713 HydrophobicContact CB-CZ 4.45Å; L708-F713 HydrophobicContact CD1-CE1 4.42Å; L708-F713 HydrophobicContact CD1-CZ 4.19Å; I711-F713 HydrophobicContact CG2-CE1 4.37Å; I711-F713 HydrophobicContact CG2-CZ 4.43Å; F713-D715 PolarHBondContact O-N 2.83Å; F713-C717 HydrophobicContact CD2-CB 4.43Å; F713-C717 HydrophobicContact CG-CB 4.37Å; F713-I720 HydrophobicContact CD1-CD1 3.98Å; F713-I720 HydrophobicContact CE1-CD1 3.14Å; F713-I720 HydrophobicContact CZ-CD1 3.67Å; F713-L735 HydrophobicContact CE2-CD2 3.89Å; F713-L735 HydrophobicContact CZ-CD2 3.63Å; F713-I740 HydrophobicContact CD2-CG2 3.49Å; F713-I740 VanDerWaalsContact CD2-CG2 3.49Å; F713-I740 HydrophobicContact CE2-CG2 3.56Å
714	P	68.8	Low	84.1	Confident	70 Å²	70	36.5 Å²	36.5	46%	0.455	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-33.9	179.2	-26.3	34.6	0	0	0	114.2
715	D	69.9	Low	83.7	Confident	67 Å²	67	35 Å²	35	36%	0.358	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124	29.2	-174.8	-59.8	-59.9	0	0	0	112.5	K686 F713	K686-D715 VanDerWaalsContact CE-OD2 3.25Å; K686-D715 WeakPolarHBondContact CE-OD2 3.39Å; K686-D715 VanDerWaalsContact NZ-CG 3.32Å; K686-D715 IonicContact NZ-OD1 2.64Å; K686-D715 PolarHBondContact NZ-OD1 3.44Å; K686-D715 VanDerWaalsContact NZ-OD1 3.09Å; K686-D715 IonicContact NZ-OD2 2.71Å; K686-D715 PolarHBondContact NZ-OD2 2.97Å; F713-D715 PolarHBondContact O-N 2.83Å
716	G	66.3	Low	83.2	Confident	26 Å²	26	35.5 Å²	35.5	27%	0.268	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	46	170	0	0	0	0	0	116	Q718 G744	G716-Q718 PolarHBondContact O-N 2.76Å; G716-G744 VanDerWaalsContact O-CA 3.24Å; G716-G744 WeakPolarHBondContact O-CA 3.34Å
717	C	76.8	Confident	82.7	Confident	4 Å²	4	35.8 Å²	35.8	3%	0.027	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	9.3	173.1	-157.6	0	0	0	0	116.6	F713 D719 I720 S721 I740	F713-C717 HydrophobicContact CD2-CB 4.43Å; F713-C717 HydrophobicContact CG-CB 4.37Å; C717-D719 VanDerWaalsContact C-N 3.34Å; C717-D719 PolarHBondContact O-N 2.77Å; C717-I720 PolarHBondContact O-N 3.44Å; C717-S721 PolarHBondContact O-N 2.78Å; C717-S721 PolarHBondContact O-OG 3.15Å; C717-I740 HydrophobicContact CB-CG2 4.08Å
718	Q	81.9	Confident	82.2	Confident	112 Å²	112	38.9 Å²	38.9	52%	0.523	21%	0.213	S	C	.	.	H	α-helix	trans	-60.4	-41.5	179.9	-70.6	-175.7	-1.1	0	0	112.9	G716 S721 T722	G716-Q718 PolarHBondContact O-N 2.76Å; Q718-S721 WeakPolarHBondContact O-CB 3.44Å; Q718-S721 PolarHBondContact O-N 3.16Å; Q718-T722 PolarHBondContact O-N 3.31Å; Q718-T722 VanDerWaalsContact O-N 3.13Å; Q718-T722 PolarHBondContact O-OG1 3.42Å
719	D	82.4	Confident	82.2	Confident	45 Å²	45	41.2 Å²	41.2	24%	0.241	23%	0.225	C	C	.	.	H	α-helix	trans	-59.9	-52.8	178.8	-65.5	-46.1	0	0	0	110.8	H693 C717 S721 T722 S723	H693-D719 HydrophobicContact CB-CB 4.17Å; H693-D719 IonicContact CD2-OD1 2.76Å; H693-D719 VanDerWaalsContact CE1-C 3.49Å; H693-D719 PolarHBondContact CE1-O 2.86Å; H693-D719 PolarHBondContact ND1-O 3.28Å; C717-D719 VanDerWaalsContact C-N 3.34Å; C717-D719 PolarHBondContact O-N 2.77Å; D719-S721 VanDerWaalsContact C-N 3.28Å; D719-S721 PolarHBondContact O-N 3.42Å; D719-T722 PolarHBondContact O-N 2.69Å; D719-T722 VanDerWaalsContact O-N 3.14Å; D719-T722 PolarHBondContact O-OG1 3.28Å; D719-S723 PolarHBondContact O-N 3.04Å; D719-S723 VanDerWaalsContact O-N 3.1Å
720	I	85.8	Confident	82.4	Confident	4 Å²	4	39 Å²	39	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-59.5	-40.9	178.5	-69.4	156.1	0	0	0	111.7	M689 L708 F713 C717 T722 S723 L724 L733	M689-I720 HydrophobicContact CE-CD1 4.01Å; L708-I720 HydrophobicContact CD1-CD1 3.3Å; L708-I720 HydrophobicContact CD1-CG1 4.14Å; F713-I720 HydrophobicContact CD1-CD1 3.98Å; F713-I720 HydrophobicContact CE1-CD1 3.14Å; F713-I720 HydrophobicContact CZ-CD1 3.67Å; C717-I720 PolarHBondContact O-N 3.44Å; I720-T722 VanDerWaalsContact C-N 3.29Å; I720-T722 PolarHBondContact O-N 2.8Å; I720-S723 WeakPolarHBondContact O-CA 3.46Å; I720-S723 VanDerWaalsContact O-CB 3.26Å; I720-S723 WeakPolarHBondContact O-CB 3.41Å; I720-S723 PolarHBondContact O-N 3.03Å; I720-L724 PolarHBondContact O-N 2.76Å; I720-L724 VanDerWaalsContact O-N 3.15Å; I720-L733 HydrophobicContact CG2-CD1 4.48Å; I720-L733 HydrophobicContact CG2-CD2 4.26Å
721	S	86.8	Confident	82.8	Confident	4 Å²	4	39.4 Å²	39.4	3%	0.028	21%	0.214	C	C	.	.	H	α-helix	trans	-54.6	-47.6	178.3	-56	0	0	0	0	111.1	C717 Q718 D719 S723 L724 S747 L748 A751	C717-S721 PolarHBondContact O-N 2.78Å; C717-S721 PolarHBondContact O-OG 3.15Å; Q718-S721 WeakPolarHBondContact O-CB 3.44Å; Q718-S721 PolarHBondContact O-N 3.16Å; D719-S721 VanDerWaalsContact C-N 3.28Å; D719-S721 PolarHBondContact O-N 3.42Å; S721-S723 VanDerWaalsContact C-N 3.31Å; S721-S723 PolarHBondContact O-N 3.02Å; S721-L724 WeakPolarHBondContact O-CB 3.28Å; S721-L724 PolarHBondContact O-N 3.28Å; S721-S747 WeakPolarHBondContact CB-O 3.45Å; S721-L748 VanDerWaalsContact OG-CA 3.28Å; S721-L748 WeakPolarHBondContact OG-CA 3.34Å; S721-L748 PolarHBondContact OG-N 3.06Å; S721-L748 VanDerWaalsContact OG-N 3.16Å; S721-A751 WeakPolarHBondContact O-CB 3.32Å
722	T	84.7	Confident	83.4	Confident	50 Å²	50	40.5 Å²	40.5	31%	0.307	22%	0.219	S	C	.	.	H	α-helix	trans	-71.1	-24.2	178.5	56.5	0	0	0	0	113.6	H693 R697 Q718 D719 I720 H726	H693-T722 PolarHBondContact CE1-OG1 2.94Å; R697-T722 PolarHBondContact NH2-OG1 3.04Å; Q718-T722 PolarHBondContact O-N 3.31Å; Q718-T722 VanDerWaalsContact O-N 3.13Å; Q718-T722 PolarHBondContact O-OG1 3.42Å; D719-T722 PolarHBondContact O-N 2.69Å; D719-T722 VanDerWaalsContact O-N 3.14Å; D719-T722 PolarHBondContact O-OG1 3.28Å; I720-T722 VanDerWaalsContact C-N 3.29Å; I720-T722 PolarHBondContact O-N 2.8Å; T722-H726 PolarHBondContact O-ND1 2.98Å
723	S	87.6	Confident	84.3	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.007	20%	0.196	C	C	.	.	H	α-helix	trans	-66.1	-33.9	170.2	-94.2	0	0	0	0	113.2	H693 R697 D719 I720 S721 I725 H726 N727	H693-S723 PolarHBondContact CE1-OG 3.05Å; H693-S723 VanDerWaalsContact CE1-OG 3.27Å; H693-S723 PolarHBondContact ND1-OG 2.89Å; H693-S723 PolarHBondContact O-OG 3.19Å; R697-S723 WeakPolarHBondContact CG-OG 3.45Å; D719-S723 PolarHBondContact O-N 3.04Å; D719-S723 VanDerWaalsContact O-N 3.1Å; I720-S723 WeakPolarHBondContact O-CA 3.46Å; I720-S723 VanDerWaalsContact O-CB 3.26Å; I720-S723 WeakPolarHBondContact O-CB 3.41Å; I720-S723 PolarHBondContact O-N 3.03Å; S721-S723 VanDerWaalsContact C-N 3.31Å; S721-S723 PolarHBondContact O-N 3.02Å; S723-I725 PolarHBondContact O-N 3.06Å; S723-H726 PolarHBondContact O-N 3.18Å; S723-N727 VanDerWaalsContact O-CB 3.31Å; S723-N727 WeakPolarHBondContact O-CB 3.05Å; S723-N727 PolarHBondContact O-N 2.69Å
724	L	87.3	Confident	85.1	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-63.6	-25.9	179.3	-63.3	-176	0	0	0	114	I720 S721 L730 L733 L748 A751 L752 L759	I720-L724 PolarHBondContact O-N 2.76Å; I720-L724 VanDerWaalsContact O-N 3.15Å; S721-L724 WeakPolarHBondContact O-CB 3.28Å; S721-L724 PolarHBondContact O-N 3.28Å; L724-L730 HydrophobicContact CD2-CD2 3.51Å; L724-L730 HydrophobicContact CD2-CG 4.31Å; L724-L733 HydrophobicContact CD1-CD2 4.09Å; L724-L733 HydrophobicContact CD2-CD2 4.32Å; L724-L748 HydrophobicContact CD1-CD1 3.35Å; L724-A751 HydrophobicContact CB-CB 4.37Å; L724-L752 HydrophobicContact CD1-CD2 4.33Å; L724-L759 HydrophobicContact CD1-CD2 4.48Å; L724-L759 HydrophobicContact CD2-CD1 4.39Å
725	I	86.3	Confident	86.3	Confident	36 Å²	36	32.5 Å²	32.5	19%	0.185	17%	0.17	C	C	.	.	H	α-helix	trans	-76.2	-41.8	178.9	-59.8	174.9	0	0	0	110.3	S723 A751 H754	S723-I725 PolarHBondContact O-N 3.06Å; I725-A751 HydrophobicContact CD1-CB 4.14Å; I725-A751 HydrophobicContact CG1-CB 3.92Å; I725-H754 HydrophobicContact CD1-CB 4.44Å; I725-H754 HydrophobicContact CG1-CB 4.16Å
726	H	85.1	Confident	87.3	Confident	106 Å²	106	33 Å²	33	49%	0.491	17%	0.169	S	C	.	.	H	α-helix	trans	-87.7	-26.4	-173.4	-61.5	87.8	0	0	0	112.9	R697 T722 S723 Q728	R697-H726 HydrophobicContact CB-CB 4.38Å; R697-H726 HydrophobicContact CG-CB 4.17Å; T722-H726 PolarHBondContact O-ND1 2.98Å; S723-H726 PolarHBondContact O-N 3.18Å; H726-Q728 PolarHBondContact O-N 3.36Å
727	N	86	Confident	88.4	Confident	5 Å²	5	33 Å²	33	3%	0.027	17%	0.17	C	C	.	.			trans	-81.5	112.9	179.8	-169.8	-50	0	0	0	111.3	L696 S723 N729 L730	L696-N727 PolarHBondContact O-ND2 2.57Å; S723-N727 VanDerWaalsContact O-CB 3.31Å; S723-N727 WeakPolarHBondContact O-CB 3.05Å; S723-N727 PolarHBondContact O-N 2.69Å; N727-N729 VanDerWaalsContact C-N 3.33Å; N727-N729 PolarHBondContact O-N 3.5Å; N727-N729 PolarHBondContact OD1-N 3.26Å; N727-L730 HydrophobicContact CB-CB 4.28Å; N727-L730 PolarHBondContact OD1-N 3.3Å
728	Q	84.6	Confident	89	Confident	77 Å²	77	32.9 Å²	32.9	36%	0.36	17%	0.169	S	C	.	.	S	Bend	trans	-85	0.4	-175.6	-65.7	-62	-40.5	0	0	114.8	H726 K758	H726-Q728 PolarHBondContact O-N 3.36Å; Q728-K758 WeakPolarHBondContact O-CD 3.27Å; Q728-K758 PolarHBondContact O-NZ 3.26Å
729	N	92	Very high	89	Confident	49 Å²	49	32.7 Å²	32.7	26%	0.262	17%	0.172	S	C	.	.	S	Bend	trans	-118.6	-21.9	-174.2	-62.6	-56.3	0	0	0	113.6	C701 L703 Q704 N727 M731	C701-N729 PolarHBondContact O-ND2 2.92Å; L703-N729 CarbonylContact O-C 3.4Å; L703-N729 WeakPolarHBondContact O-CB 3.23Å; Q704-N729 WeakPolarHBondContact CA-O 3.45Å; N727-N729 VanDerWaalsContact C-N 3.33Å; N727-N729 PolarHBondContact O-N 3.5Å; N727-N729 PolarHBondContact OD1-N 3.26Å; N729-M731 PolarHBondContact O-N 2.85Å
730	L	93.9	Very high	89.3	Confident	5 Å²	5	31.1 Å²	31.1	3%	0.026	16%	0.163	C	C	.	.			trans	-73.3	112.5	-174.4	-172.6	59.8	0	0	0	111	L703 L706 L724 N727 H732 L759	L703-L730 PolarHBondContact O-N 3.37Å; L706-L730 HydrophobicContact CB-CD1 3.67Å; L706-L730 HydrophobicContact CB-CD2 4.31Å; L706-L730 HydrophobicContact CD2-CD2 4.2Å; L724-L730 HydrophobicContact CD2-CD2 3.51Å; L724-L730 HydrophobicContact CD2-CG 4.31Å; N727-L730 HydrophobicContact CB-CB 4.28Å; N727-L730 PolarHBondContact OD1-N 3.3Å; L730-H732 WeakPolarHBondContact CD1-O 3.12Å; L730-L759 HydrophobicContact CG-CD1 4.47Å
731	M	94.9	Very high	89.4	Confident	59 Å²	59	31.6 Å²	31.6	29%	0.291	17%	0.169	S	C	.	.			trans	-112.4	-18.3	-176.2	-67.3	177.5	-69.7	0	0	112.7	Q704 N729 Q760 T761	Q704-M731 HydrophobicContact CB-CE 3.9Å; Q704-M731 HydrophobicContact CG-CE 3.73Å; Q704-M731 PolarHBondContact O-N 2.95Å; N729-M731 PolarHBondContact O-N 2.85Å; M731-Q760 PolarHBondContact O-N 2.76Å; M731-T761 PolarHBondContact O-N 3.32Å
732	H	96.2	Very high	89.6	Confident	25 Å²	25	33.1 Å²	33.1	12%	0.116	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	124	-176.3	-177.6	92.5	0	0	0	111	Q704 K705 L706 L707 L730 T761	Q704-H732 PolarHBondContact O-N 3.18Å; K705-H732 WeakPolarHBondContact CA-O 3.49Å; K705-H732 HydrophobicContact CB-CB 4.19Å; K705-H732 HydrophobicContact CG-CB 3.89Å; L706-H732 PolarHBondContact N-O 2.67Å; L707-H732 WeakPolarHBondContact CD2-NE2 3.49Å; L730-H732 WeakPolarHBondContact CD1-O 3.12Å; H732-T761 WeakPolarHBondContact CE1-CG2 3.41Å; H732-T761 WeakPolarHBondContact ND1-CB 3.38Å; H732-T761 WeakPolarHBondContact ND1-CG2 3.39Å
733	L	95.4	Very high	89.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.9	174.9	179.1	63	0	0	0	109.2	L706 L708 I720 L724 L735 L748 L759 T761 L762 R763	L706-L733 HydrophobicContact CB-CD1 4.27Å; L706-L733 HydrophobicContact CD2-CD1 4.1Å; L706-L733 HydrophobicContact CG-CD1 4.15Å; L706-L733 WeakPolarHBondContact O-CA 2.93Å; L708-L733 HydrophobicContact CD1-CD1 4.43Å; I720-L733 HydrophobicContact CG2-CD1 4.48Å; I720-L733 HydrophobicContact CG2-CD2 4.26Å; L724-L733 HydrophobicContact CD1-CD2 4.09Å; L724-L733 HydrophobicContact CD2-CD2 4.32Å; L733-L735 HydrophobicContact CD1-CD2 4.36Å; L733-L735 HydrophobicContact CD1-CG 4.25Å; L733-L735 HydrophobicContact CD2-CD1 3.95Å; L733-L735 HydrophobicContact CD2-CG 4.3Å; L733-L735 HydrophobicContact CG-CD1 4.25Å; L733-L735 HydrophobicContact CG-CG 4.08Å; L733-L748 HydrophobicContact CD2-CD1 4.02Å; L733-L759 HydrophobicContact CB-CD1 3.77Å; L733-L759 HydrophobicContact CB-CD2 4.03Å; L733-T761 PolarHBondContact N-O 2.68Å; L733-L762 HydrophobicContact CB-CD1 4.21Å; L733-L762 HydrophobicContact CD2-CD1 4.01Å; L733-L762 HydrophobicContact CG-CD1 4.19Å; L733-L762 WeakPolarHBondContact O-CA 3.47Å; L733-R763 PolarHBondContact O-N 2.94Å
734	D	94.4	Very high	89.6	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.8	175.1	-168.6	-20.3	0	0	0	109.1	L706 L707 L708 K709 K736 R763	L706-D734 PolarHBondContact O-N 2.99Å; L707-D734 HydrophobicContact CB-CB 4.33Å; L707-D734 HydrophobicContact CD2-CB 3.35Å; L707-D734 HydrophobicContact CG-CB 4.44Å; L708-D734 CarbonylContact C-O 3.37Å; L708-D734 PolarHBondContact N-O 3.41Å; K709-D734 WeakPolarHBondContact CE-OD2 3.27Å; D734-K736 WeakPolarHBondContact OD1-CB 3.19Å; D734-K736 PolarHBondContact OD1-N 3.37Å; D734-R763 HydrophobicContact CB-CB 4.25Å; D734-R763 VanDerWaalsContact OD2-CD 3.27Å; D734-R763 WeakPolarHBondContact OD2-CD 3.34Å; D734-R763 IonicContact OD2-NH1 3.67Å; D734-R763 PolarHBondContact OD2-NH1 3.19Å
735	L	93.4	Very high	89.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.			trans	-109.5	16	179.5	-69	165.9	0	0	0	112	L708 F713 L733 G737 S738 I740 L748 R763 L764 C767	L708-L735 HydrophobicContact CB-CD2 3.86Å; L708-L735 HydrophobicContact CD1-CD2 4.02Å; L708-L735 CarbonylContact O-C 3.6Å; L708-L735 WeakPolarHBondContact O-CA 3.34Å; F713-L735 HydrophobicContact CE2-CD2 3.89Å; F713-L735 HydrophobicContact CZ-CD2 3.63Å; L733-L735 HydrophobicContact CD1-CD2 4.36Å; L733-L735 HydrophobicContact CD1-CG 4.25Å; L733-L735 HydrophobicContact CD2-CD1 3.95Å; L733-L735 HydrophobicContact CD2-CG 4.3Å; L733-L735 HydrophobicContact CG-CD1 4.25Å; L733-L735 HydrophobicContact CG-CG 4.08Å; L735-G737 PolarHBondContact O-N 3.42Å; L735-S738 WeakPolarHBondContact O-CB 3.45Å; L735-S738 PolarHBondContact O-N 2.94Å; L735-S738 PolarHBondContact O-OG 3.31Å; L735-I740 HydrophobicContact CD1-CD1 4.39Å; L735-L748 HydrophobicContact CD1-CD2 4.11Å; L735-R763 PolarHBondContact N-O 3.44Å; L735-L764 HydrophobicContact CB-CD2 4.06Å; L735-L764 HydrophobicContact CD1-CD2 3.7Å; L735-L764 HydrophobicContact CG-CD2 4.44Å; L735-C767 PolarHBondContact O-SG 3.13Å
736	K	91.4	Very high	89.9	Confident	77 Å²	77	41 Å²	41	34%	0.335	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.4	130.8	-172.7	170.3	174.8	178.8	150.3	0	113.2	K709 C710 D734 S738 E765	K709-K736 CarbonylContact C-O 3.54Å; K709-K736 WeakPolarHBondContact CA-O 3.16Å; K709-K736 HydrophobicContact CG-CB 4.32Å; C710-K736 PolarHBondContact N-O 2.96Å; D734-K736 WeakPolarHBondContact OD1-CB 3.19Å; D734-K736 PolarHBondContact OD1-N 3.37Å; K736-S738 PolarHBondContact O-N 3.23Å; K736-E765 CarbonylContact C-O 3.57Å; K736-E765 VanDerWaalsContact CA-O 3.24Å; K736-E765 WeakPolarHBondContact CA-O 3.23Å; K736-E765 HydrophobicContact CB-CB 4.25Å; K736-E765 HydrophobicContact CD-CB 4.37Å; K736-E765 HydrophobicContact CD-CG 4.39Å; K736-E765 WeakPolarHBondContact CD-OE2 3.29Å; K736-E765 VanDerWaalsContact CE-CD 3.48Å; K736-E765 WeakPolarHBondContact CE-OE1 3.21Å; K736-E765 HydrophobicContact CG-CB 4.03Å; K736-E765 HydrophobicContact CG-CG 4.3Å; K736-E765 IonicContact NZ-OE1 2.59Å; K736-E765 PolarHBondContact NZ-OE1 3.22Å; K736-E765 IonicContact NZ-OE2 3.75Å; K736-E765 PolarHBondContact NZ-OE2 3.28Å
737	G	89.1	Confident	90	Very high	28 Å²	28	37.3 Å²	37.3	29%	0.289	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	7.5	175.5	0	0	0	0	0	114.5	C710 L735 E765 S766	C710-G737 WeakPolarHBondContact CA-O 2.94Å; L735-G737 PolarHBondContact O-N 3.42Å; G737-E765 PolarHBondContact N-O 3.11Å; G737-S766 VanDerWaalsContact CA-O 3.29Å; G737-S766 WeakPolarHBondContact CA-O 3.49Å
738	S	89.3	Confident	90.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.197	C	C	.	.			trans	-91.2	126	175.7	-58.3	0	0	0	0	109.9	L708 C710 I711 L735 K736 I740 C767	L708-S738 PolarHBondContact O-OG 3.35Å; C710-S738 PolarHBondContact N-OG 3.29Å; I711-S738 PolarHBondContact N-OG 3.45Å; I711-S738 WeakPolarHBondContact O-CA 3.25Å; I711-S738 WeakPolarHBondContact O-CB 3.33Å; I711-S738 PolarHBondContact O-OG 2.7Å; L735-S738 WeakPolarHBondContact O-CB 3.45Å; L735-S738 PolarHBondContact O-N 2.94Å; L735-S738 PolarHBondContact O-OG 3.31Å; K736-S738 PolarHBondContact O-N 3.23Å; S738-I740 VanDerWaalsContact C-N 3.27Å; S738-I740 PolarHBondContact O-N 3.48Å; S738-C767 WeakPolarHBondContact O-CA 3.17Å; S738-C767 PolarHBondContact O-SG 2.87Å; S738-C767 VanDerWaalsContact O-SG 3.42Å
739	D	82.6	Confident	90.7	Very high	109 Å²	109	33.6 Å²	33.6	58%	0.583	18%	0.181	S	C	*	.			trans	-75.4	76.2	-178.4	-171.5	23	0	0	0	110.9	N768	D739-N768 VanDerWaalsContact OD1-CB 3.24Å; D739-N768 WeakPolarHBondContact OD1-CB 3.47Å; D739-N768 PolarHBondContact OD1-ND2 3.34Å
740	I	87.6	Confident	90.6	Very high	12 Å²	12	36.3 Å²	36.3	6%	0.062	19%	0.192	C	C	.	.			trans	-85.3	-29.7	178.1	56.9	177.2	0	0	0	112.2	F713 C717 L735 S738 G744 V745 L764 C767 L769	F713-I740 HydrophobicContact CD2-CG2 3.49Å; F713-I740 VanDerWaalsContact CD2-CG2 3.49Å; F713-I740 HydrophobicContact CE2-CG2 3.56Å; C717-I740 HydrophobicContact CB-CG2 4.08Å; L735-I740 HydrophobicContact CD1-CD1 4.39Å; S738-I740 VanDerWaalsContact C-N 3.27Å; S738-I740 PolarHBondContact O-N 3.48Å; I740-G744 WeakPolarHBondContact O-CA 3.34Å; I740-G744 PolarHBondContact O-N 3.4Å; I740-V745 HydrophobicContact CD1-CG2 3.37Å; I740-V745 HydrophobicContact CG1-CG2 4.02Å; I740-L764 HydrophobicContact CD1-CD2 3.73Å; I740-C767 HydrophobicContact CD1-CB 3.79Å; I740-C767 HydrophobicContact CG1-CB 3.7Å; I740-L769 HydrophobicContact CD1-CD2 4.32Å; I740-L769 HydrophobicContact CG1-CD2 4.11Å
741	G	89	Confident	90.5	Very high	14 Å²	14	36.2 Å²	36.2	14%	0.144	19%	0.192	C	C	.	.	H	α-helix	trans	58.1	178.3	-174.2	0	0	0	0	0	114.8	N743 G744 V745 C767	G741-N743 VanDerWaalsContact C-N 3.3Å; G741-N743 PolarHBondContact O-N 3.21Å; G741-G744 PolarHBondContact O-N 3.08Å; G741-V745 PolarHBondContact O-N 3.41Å; G741-V745 VanDerWaalsContact O-N 3.13Å; G741-C767 PolarHBondContact N-O 2.59Å
742	D	90.3	Very high	90.4	Very high	36 Å²	36	33.6 Å²	33.6	19%	0.193	18%	0.18	C	C	.	.	H	α-helix	trans	-62.2	-35.5	-176.3	-62.3	-35.6	0	0	0	113.1	V745 K746 T770 C773	D742-V745 PolarHBondContact O-N 2.86Å; D742-K746 PolarHBondContact O-N 3.36Å; D742-T770 PolarHBondContact OD1-N 3.04Å; D742-T770 PolarHBondContact OD2-OG1 2.85Å; D742-C773 HydrophobicContact CB-CB 4.24Å; D742-C773 WeakPolarHBondContact OD1-CB 3.46Å
743	N	86.3	Confident	90.1	Very high	138 Å²	138	34.7 Å²	34.7	74%	0.738	18%	0.184	S	C	*	.	H	α-helix	trans	-68.4	-38.5	178.4	-73.5	-35.1	0	0	0	112.4	G741 K746 S747	G741-N743 VanDerWaalsContact C-N 3.3Å; G741-N743 PolarHBondContact O-N 3.21Å; N743-K746 PolarHBondContact O-N 3.21Å; N743-S747 PolarHBondContact O-N 2.85Å; N743-S747 PolarHBondContact O-OG 3.43Å
744	G	85.7	Confident	89.8	Confident	2 Å²	2	38 Å²	38	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-66.2	-43	175.6	0	0	0	0	0	111.4	G716 I740 G741 K746 S747 L748	G716-G744 VanDerWaalsContact O-CA 3.24Å; G716-G744 WeakPolarHBondContact O-CA 3.34Å; I740-G744 WeakPolarHBondContact O-CA 3.34Å; I740-G744 PolarHBondContact O-N 3.4Å; G741-G744 PolarHBondContact O-N 3.08Å; G744-K746 VanDerWaalsContact C-N 3.31Å; G744-K746 PolarHBondContact O-N 3.28Å; G744-S747 PolarHBondContact O-N 2.91Å; G744-L748 PolarHBondContact O-N 3.42Å
745	V	90.2	Very high	89.5	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-36.3	175.1	171.1	0	0	0	0	112.4	I740 G741 D742 S747 L748 C749 L764 L769 C773 I777	I740-V745 HydrophobicContact CD1-CG2 3.37Å; I740-V745 HydrophobicContact CG1-CG2 4.02Å; G741-V745 PolarHBondContact O-N 3.41Å; G741-V745 VanDerWaalsContact O-N 3.13Å; D742-V745 PolarHBondContact O-N 2.86Å; V745-S747 VanDerWaalsContact C-N 3.3Å; V745-S747 PolarHBondContact O-N 2.98Å; V745-L748 WeakPolarHBondContact O-CB 3.46Å; V745-L748 PolarHBondContact O-N 3.28Å; V745-C749 WeakPolarHBondContact O-CB 3.44Å; V745-C749 PolarHBondContact O-N 2.94Å; V745-C749 PolarHBondContact O-SG 3.5Å; V745-L764 HydrophobicContact CG1-CD1 4.46Å; V745-L764 HydrophobicContact CG2-CD1 4.09Å; V745-L769 HydrophobicContact CB-CD2 4.28Å; V745-L769 HydrophobicContact CG2-CD1 3.89Å; V745-L769 HydrophobicContact CG2-CD2 3.29Å; V745-L769 HydrophobicContact CG2-CG 4.23Å; V745-C773 HydrophobicContact CB-CB 4.39Å; V745-C773 HydrophobicContact CG1-CB 4.09Å; V745-I777 HydrophobicContact CG1-CD1 4.16Å; V745-I777 HydrophobicContact CG1-CG1 4.01Å
746	K	90.1	Very high	89.1	Confident	115 Å²	115	48.7 Å²	48.7	50%	0.5	26%	0.26	S	S	.	.	H	α-helix	trans	-57.9	-44.1	176.1	-172.9	177.4	-179.5	177.9	0	111.9	D742 N743 G744 L748 C749 E750	D742-K746 PolarHBondContact O-N 3.36Å; N743-K746 PolarHBondContact O-N 3.21Å; G744-K746 VanDerWaalsContact C-N 3.31Å; G744-K746 PolarHBondContact O-N 3.28Å; K746-L748 VanDerWaalsContact C-N 3.34Å; K746-C749 WeakPolarHBondContact O-CB 3.49Å; K746-C749 PolarHBondContact O-N 3.26Å; K746-E750 PolarHBondContact O-N 2.97Å; K746-E750 VanDerWaalsContact O-N 3.09Å
747	S	88.3	Confident	89.1	Confident	28 Å²	28	45.3 Å²	45.3	20%	0.196	25%	0.246	C	C	.	.	H	α-helix	trans	-63.9	-41.2	177.3	-54.7	0	0	0	0	111.6	S721 N743 G744 V745 C749 E750 A751	S721-S747 WeakPolarHBondContact CB-O 3.45Å; N743-S747 PolarHBondContact O-N 2.85Å; N743-S747 PolarHBondContact O-OG 3.43Å; G744-S747 PolarHBondContact O-N 2.91Å; V745-S747 VanDerWaalsContact C-N 3.3Å; V745-S747 PolarHBondContact O-N 2.98Å; S747-C749 VanDerWaalsContact C-N 3.34Å; S747-C749 PolarHBondContact O-N 3.26Å; S747-E750 PolarHBondContact O-N 3.5Å; S747-A751 PolarHBondContact O-N 3.32Å
748	L	91.8	Very high	89.2	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-42.5	174.8	-176.9	67.2	0	0	0	111.5	S721 L724 L733 L735 G744 V745 K746 E750 A751 L752 L762 L764	S721-L748 VanDerWaalsContact OG-CA 3.28Å; S721-L748 WeakPolarHBondContact OG-CA 3.34Å; S721-L748 PolarHBondContact OG-N 3.06Å; S721-L748 VanDerWaalsContact OG-N 3.16Å; L724-L748 HydrophobicContact CD1-CD1 3.35Å; L733-L748 HydrophobicContact CD2-CD1 4.02Å; L735-L748 HydrophobicContact CD1-CD2 4.11Å; G744-L748 PolarHBondContact O-N 3.42Å; V745-L748 WeakPolarHBondContact O-CB 3.46Å; V745-L748 PolarHBondContact O-N 3.28Å; K746-L748 VanDerWaalsContact C-N 3.34Å; L748-E750 VanDerWaalsContact C-N 3.32Å; L748-E750 PolarHBondContact O-N 2.97Å; L748-A751 WeakPolarHBondContact O-CB 3.48Å; L748-A751 PolarHBondContact O-N 3.4Å; L748-A751 VanDerWaalsContact O-N 3.13Å; L748-L752 HydrophobicContact CG-CD1 4.03Å; L748-L752 HydrophobicContact CG-CG 4.47Å; L748-L752 VanDerWaalsContact O-CG 3.31Å; L748-L752 WeakPolarHBondContact O-CG 3.4Å; L748-L752 PolarHBondContact O-N 3.02Å; L748-L762 HydrophobicContact CD2-CD1 3.91Å; L748-L762 HydrophobicContact CD2-CD2 3.96Å; L748-L764 HydrophobicContact CD2-CD2 3.99Å
749	C	92.6	Very high	89.4	Confident	4 Å²	4	48.5 Å²	48.5	3%	0.027	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-36.5	177.3	-69.9	0	0	0	0	112.5	V745 K746 S747 A751 L752 K753 V780	V745-C749 WeakPolarHBondContact O-CB 3.44Å; V745-C749 PolarHBondContact O-N 2.94Å; V745-C749 PolarHBondContact O-SG 3.5Å; K746-C749 WeakPolarHBondContact O-CB 3.49Å; K746-C749 PolarHBondContact O-N 3.26Å; S747-C749 VanDerWaalsContact C-N 3.34Å; S747-C749 PolarHBondContact O-N 3.26Å; C749-A751 VanDerWaalsContact C-N 3.31Å; C749-A751 PolarHBondContact O-N 3Å; C749-L752 PolarHBondContact O-N 2.55Å; C749-K753 WeakPolarHBondContact O-CE 3.43Å; C749-K753 WeakPolarHBondContact O-CG 3.18Å; C749-K753 PolarHBondContact O-N 3.44Å; C749-V780 HydrophobicContact CB-CG2 3.49Å; C749-V780 VanDerWaalsContact CB-CG2 3.49Å; C749-V780 WeakPolarHBondContact O-CG2 3.42Å
750	E	90.1	Very high	90	Very high	106 Å²	106	47.1 Å²	47.1	50%	0.495	24%	0.242	S	C	.	.	H	α-helix	trans	-60	-42.3	172.8	-66.9	-51.3	139.1	0	0	112	K746 S747 L748 K753	K746-E750 PolarHBondContact O-N 2.97Å; K746-E750 VanDerWaalsContact O-N 3.09Å; S747-E750 PolarHBondContact O-N 3.5Å; L748-E750 VanDerWaalsContact C-N 3.32Å; L748-E750 PolarHBondContact O-N 2.97Å; E750-K753 IonicContact OE1-NZ 2.93Å; E750-K753 PolarHBondContact OE1-NZ 3.44Å; E750-K753 WeakPolarHBondContact OE2-CE 3.39Å; E750-K753 IonicContact OE2-NZ 3.81Å; E750-K753 PolarHBondContact OE2-NZ 2.97Å
751	A	90.9	Very high	90.4	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-67.9	-41.7	177.4	0	0	0	0	0	113.1	S721 L724 I725 S747 L748 C749 K753 H754	S721-A751 WeakPolarHBondContact O-CB 3.32Å; L724-A751 HydrophobicContact CB-CB 4.37Å; I725-A751 HydrophobicContact CD1-CB 4.14Å; I725-A751 HydrophobicContact CG1-CB 3.92Å; S747-A751 PolarHBondContact O-N 3.32Å; L748-A751 WeakPolarHBondContact O-CB 3.48Å; L748-A751 PolarHBondContact O-N 3.4Å; L748-A751 VanDerWaalsContact O-N 3.13Å; C749-A751 VanDerWaalsContact C-N 3.31Å; C749-A751 PolarHBondContact O-N 3Å; A751-K753 PolarHBondContact O-N 3.35Å; A751-H754 WeakPolarHBondContact O-CB 3.07Å; A751-H754 PolarHBondContact O-N 3.27Å
752	L	92.8	Very high	90.7	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-66.9	-23.2	-179.6	-66.4	168.6	0	0	0	113.7	L724 L748 C749 H754 L759 L762 V780	L724-L752 HydrophobicContact CD1-CD2 4.33Å; L748-L752 HydrophobicContact CG-CD1 4.03Å; L748-L752 HydrophobicContact CG-CG 4.47Å; L748-L752 VanDerWaalsContact O-CG 3.31Å; L748-L752 WeakPolarHBondContact O-CG 3.4Å; L748-L752 PolarHBondContact O-N 3.02Å; C749-L752 PolarHBondContact O-N 2.55Å; L752-H754 VanDerWaalsContact C-N 3.25Å; L752-L759 HydrophobicContact CD2-CB 3.95Å; L752-L759 HydrophobicContact CD2-CD2 3.52Å; L752-L759 HydrophobicContact CD2-CG 4.36Å; L752-L762 HydrophobicContact CD1-CD2 3.64Å; L752-V780 HydrophobicContact CB-CG1 3.63Å; L752-V780 HydrophobicContact CB-CG2 4.12Å; L752-V780 HydrophobicContact CD1-CG1 4.08Å; L752-V780 HydrophobicContact CG-CG1 4.48Å
753	K	90.8	Very high	91	Very high	48 Å²	48	47.2 Å²	47.2	21%	0.209	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.5	173.5	-75.5	177.6	-75.6	168.2	0	112.8	C749 E750 A751 V780 R783	C749-K753 WeakPolarHBondContact O-CE 3.43Å; C749-K753 WeakPolarHBondContact O-CG 3.18Å; C749-K753 PolarHBondContact O-N 3.44Å; E750-K753 IonicContact OE1-NZ 2.93Å; E750-K753 PolarHBondContact OE1-NZ 3.44Å; E750-K753 WeakPolarHBondContact OE2-CE 3.39Å; E750-K753 IonicContact OE2-NZ 3.81Å; E750-K753 PolarHBondContact OE2-NZ 2.97Å; A751-K753 PolarHBondContact O-N 3.35Å; K753-V780 HydrophobicContact CG-CG2 4.09Å; K753-R783 HydrophobicContact CG-CB 4.21Å
754	H	90.1	Very high	91.4	Very high	69 Å²	69	40.8 Å²	40.8	32%	0.319	20%	0.203	S	C	.	.	S	Bend	trans	-72.4	134	-178.6	-162.8	-91.8	0	0	0	110.7	I725 A751 L752 E756 C757	I725-H754 HydrophobicContact CD1-CB 4.44Å; I725-H754 HydrophobicContact CG1-CB 4.16Å; A751-H754 WeakPolarHBondContact O-CB 3.07Å; A751-H754 PolarHBondContact O-N 3.27Å; L752-H754 VanDerWaalsContact C-N 3.25Å; H754-E756 IonicContact CE1-OE2 3.09Å; H754-E756 WeakPolarHBondContact ND1-CB 3.29Å; H754-E756 PolarHBondContact ND1-N 3.49Å; H754-E756 PolarHBondContact O-N 2.88Å; H754-C757 VanDerWaalsContact O-CB 3.32Å; H754-C757 WeakPolarHBondContact O-CB 3.38Å; H754-C757 PolarHBondContact O-N 3.15Å
755	P	86.5	Confident	91.8	Very high	124 Å²	124	42.1 Å²	42.1	81%	0.805	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.7	-175.4	25.5	-35.7	0	0	0	114	C757	P755-C757 VanDerWaalsContact C-N 3.34Å
756	E	86.4	Confident	91.9	Very high	103 Å²	103	44.6 Å²	44.6	48%	0.481	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-10.4	177.1	-59	-176.7	167.4	0	0	113.4	H754 K758	H754-E756 IonicContact CE1-OE2 3.09Å; H754-E756 WeakPolarHBondContact ND1-CB 3.29Å; H754-E756 PolarHBondContact ND1-N 3.49Å; H754-E756 PolarHBondContact O-N 2.88Å; E756-K758 PolarHBondContact O-N 3.4Å
757	C	90.1	Very high	92.1	Very high	7 Å²	7	39.1 Å²	39.1	5%	0.047	20%	0.203	C	C	.	.			trans	-70.3	123.2	176.8	-170.3	0	0	0	0	109.6	H754 P755 S786	H754-C757 VanDerWaalsContact O-CB 3.32Å; H754-C757 WeakPolarHBondContact O-CB 3.38Å; H754-C757 PolarHBondContact O-N 3.15Å; P755-C757 VanDerWaalsContact C-N 3.34Å; C757-S786 PolarHBondContact O-OG 3Å
758	K	91.1	Very high	92.2	Very high	94 Å²	94	42.6 Å²	42.6	41%	0.409	22%	0.219	S	C	.	.			trans	-103.6	13.7	-179	-61.8	-174.1	-167.8	159.8	0	113.6	Q728 E756 Q760	Q728-K758 WeakPolarHBondContact O-CD 3.27Å; Q728-K758 PolarHBondContact O-NZ 3.26Å; E756-K758 PolarHBondContact O-N 3.4Å; K758-Q760 PolarHBondContact O-N 3Å
759	L	94.3	Very high	92.3	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.219	C	C	.	.			trans	-64.5	123.5	-176.7	-160.8	78.5	0	0	0	109.9	L724 L730 L733 L752 L762 S786 L787	L724-L759 HydrophobicContact CD1-CD2 4.48Å; L724-L759 HydrophobicContact CD2-CD1 4.39Å; L730-L759 HydrophobicContact CG-CD1 4.47Å; L733-L759 HydrophobicContact CB-CD1 3.77Å; L733-L759 HydrophobicContact CB-CD2 4.03Å; L752-L759 HydrophobicContact CD2-CB 3.95Å; L752-L759 HydrophobicContact CD2-CD2 3.52Å; L752-L759 HydrophobicContact CD2-CG 4.36Å; L759-L762 HydrophobicContact CD2-CB 3.99Å; L759-L762 HydrophobicContact CD2-CD1 4.12Å; L759-S786 CarbonylContact O-C 3.59Å; L759-S786 WeakPolarHBondContact O-CB 3.23Å; L759-S786 PolarHBondContact O-OG 3.43Å; L759-L787 PolarHBondContact O-N 3.12Å
760	Q	95.1	Very high	92.4	Very high	80 Å²	80	44.2 Å²	44.2	37%	0.374	23%	0.229	S	C	.	.			trans	-104.3	-30.9	179.6	-66.3	178.8	4.6	0	0	112.3	M731 K758 S786 I788 F789	M731-Q760 PolarHBondContact O-N 2.76Å; K758-Q760 PolarHBondContact O-N 3Å; Q760-S786 WeakPolarHBondContact CA-O 3.22Å; Q760-I788 HydrophobicContact CB-CD1 4.31Å; Q760-I788 HydrophobicContact CG-CD1 4.22Å; Q760-I788 PolarHBondContact O-N 2.96Å; Q760-F789 PolarHBondContact O-N 2.82Å
761	T	95.5	Very high	92.6	Very high	27 Å²	27	41 Å²	41	17%	0.166	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.2	178.4	-59.8	0	0	0	0	110.6	M731 H732 L733 R763 F789	M731-T761 PolarHBondContact O-N 3.32Å; H732-T761 WeakPolarHBondContact CE1-CG2 3.41Å; H732-T761 WeakPolarHBondContact ND1-CB 3.38Å; H732-T761 WeakPolarHBondContact ND1-CG2 3.39Å; L733-T761 PolarHBondContact N-O 2.68Å; T761-R763 HydrophobicContact CG2-CG 4.21Å; T761-F789 WeakPolarHBondContact CA-O 3.32Å; T761-F789 HydrophobicContact CG2-CB 4.31Å; T761-F789 HydrophobicContact CG2-CD1 3.35Å; T761-F789 HydrophobicContact CG2-CE1 4.01Å; T761-F789 HydrophobicContact CG2-CG 4.18Å
762	L	96.1	Very high	92.7	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.026	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.9	171.2	180	60.3	0	0	0	110.4	L733 L748 L752 L759 L764 L787 F789 L790 N791	L733-L762 HydrophobicContact CB-CD1 4.21Å; L733-L762 HydrophobicContact CD2-CD1 4.01Å; L733-L762 HydrophobicContact CG-CD1 4.19Å; L733-L762 WeakPolarHBondContact O-CA 3.47Å; L748-L762 HydrophobicContact CD2-CD1 3.91Å; L748-L762 HydrophobicContact CD2-CD2 3.96Å; L752-L762 HydrophobicContact CD1-CD2 3.64Å; L759-L762 HydrophobicContact CD2-CB 3.99Å; L759-L762 HydrophobicContact CD2-CD1 4.12Å; L762-L764 HydrophobicContact CD1-CD2 3.9Å; L762-L764 HydrophobicContact CD1-CG 4.2Å; L762-L764 HydrophobicContact CD2-CD1 4Å; L762-L764 HydrophobicContact CD2-CG 4.22Å; L762-L764 HydrophobicContact CG-CD1 4.3Å; L762-L764 HydrophobicContact CG-CD2 4.22Å; L762-L764 HydrophobicContact CG-CG 3.96Å; L762-L787 HydrophobicContact CB-CD1 3.89Å; L762-F789 PolarHBondContact N-O 2.82Å; L762-L790 HydrophobicContact CB-CD1 4.09Å; L762-L790 HydrophobicContact CD2-CD1 3.95Å; L762-L790 HydrophobicContact CG-CD1 4.1Å; L762-L790 WeakPolarHBondContact O-CA 3.39Å; L762-N791 PolarHBondContact O-N 3.14Å
763	R	95.9	Very high	92.7	Very high	32 Å²	32	48.6 Å²	48.6	12%	0.121	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.9	173.4	-58.2	174.4	168	-176.1	-6.8	110.3	L733 D734 L735 T761 F789 N791	L733-R763 PolarHBondContact O-N 2.94Å; D734-R763 HydrophobicContact CB-CB 4.25Å; D734-R763 VanDerWaalsContact OD2-CD 3.27Å; D734-R763 WeakPolarHBondContact OD2-CD 3.34Å; D734-R763 IonicContact OD2-NH1 3.67Å; D734-R763 PolarHBondContact OD2-NH1 3.19Å; L735-R763 PolarHBondContact N-O 3.44Å; T761-R763 HydrophobicContact CG2-CG 4.21Å; R763-F789 HydrophobicContact CG-CE1 4.27Å; R763-N791 HydrophobicContact CB-CB 4.2Å; R763-N791 HydrophobicContact CG-CB 4Å
764	L	95.1	Very high	92.9	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.239	C	C	.	.			trans	-124.4	37	179.7	-57.1	177.2	0	0	0	110.2	L735 I740 V745 L748 L762 C767 L769 N791 L792 N795	L735-L764 HydrophobicContact CB-CD2 4.06Å; L735-L764 HydrophobicContact CD1-CD2 3.7Å; L735-L764 HydrophobicContact CG-CD2 4.44Å; I740-L764 HydrophobicContact CD1-CD2 3.73Å; V745-L764 HydrophobicContact CG1-CD1 4.46Å; V745-L764 HydrophobicContact CG2-CD1 4.09Å; L748-L764 HydrophobicContact CD2-CD2 3.99Å; L762-L764 HydrophobicContact CD1-CD2 3.9Å; L762-L764 HydrophobicContact CD1-CG 4.2Å; L762-L764 HydrophobicContact CD2-CD1 4Å; L762-L764 HydrophobicContact CD2-CG 4.22Å; L762-L764 HydrophobicContact CG-CD1 4.3Å; L762-L764 HydrophobicContact CG-CD2 4.22Å; L762-L764 HydrophobicContact CG-CG 3.96Å; L764-C767 VanDerWaalsContact C-SG 3.51Å; L764-C767 VanDerWaalsContact CA-SG 3.57Å; L764-C767 HydrophobicContact CB-CB 4.25Å; L764-C767 WeakPolarHBondContact O-CB 3.3Å; L764-L769 HydrophobicContact CB-CD1 3.92Å; L764-L769 HydrophobicContact CD1-CD1 4.01Å; L764-N791 PolarHBondContact N-O 2.95Å; L764-L792 HydrophobicContact CB-CD2 4.14Å; L764-L792 HydrophobicContact CD1-CD2 3.92Å; L764-L792 HydrophobicContact CG-CD2 4.47Å; L764-N795 PolarHBondContact O-ND2 3.41Å
765	E	93.9	Very high	93.1	Very high	30 Å²	30	47.9 Å²	47.9	14%	0.14	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	135.3	-179.2	-179.5	-172.8	152.9	0	0	110.7	K736 G737 C767 S793 T794	K736-E765 CarbonylContact C-O 3.57Å; K736-E765 VanDerWaalsContact CA-O 3.24Å; K736-E765 WeakPolarHBondContact CA-O 3.23Å; K736-E765 HydrophobicContact CB-CB 4.25Å; K736-E765 HydrophobicContact CD-CB 4.37Å; K736-E765 HydrophobicContact CD-CG 4.39Å; K736-E765 WeakPolarHBondContact CD-OE2 3.29Å; K736-E765 VanDerWaalsContact CE-CD 3.48Å; K736-E765 WeakPolarHBondContact CE-OE1 3.21Å; K736-E765 HydrophobicContact CG-CB 4.03Å; K736-E765 HydrophobicContact CG-CG 4.3Å; K736-E765 IonicContact NZ-OE1 2.59Å; K736-E765 PolarHBondContact NZ-OE1 3.22Å; K736-E765 IonicContact NZ-OE2 3.75Å; K736-E765 PolarHBondContact NZ-OE2 3.28Å; G737-E765 PolarHBondContact N-O 3.11Å; E765-C767 VanDerWaalsContact C-N 3.29Å; E765-C767 PolarHBondContact O-N 3.21Å; E765-S793 CarbonylContact C-O 3.36Å; E765-S793 WeakPolarHBondContact CA-O 3.39Å; E765-T794 WeakPolarHBondContact CG-OG1 3.22Å
766	S	93.3	Very high	93.5	Very high	53 Å²	53	43.2 Å²	43.2	37%	0.371	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	42.7	179.7	-60.8	0	0	0	0	113.4	G737 S793 T794	G737-S766 VanDerWaalsContact CA-O 3.29Å; G737-S766 WeakPolarHBondContact CA-O 3.49Å; S766-S793 PolarHBondContact N-O 3.27Å; S766-T794 WeakPolarHBondContact CA-O 3.44Å; S766-T794 WeakPolarHBondContact CA-OG1 3.44Å; S766-T794 PolarHBondContact N-OG1 3.01Å; S766-T794 WeakPolarHBondContact OG-CB 3.46Å; S766-T794 PolarHBondContact OG-OG1 3.24Å
767	C	92.5	Very high	94	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-98.6	12.7	-176.4	-83.8	0	0	0	0	113.9	L735 S738 I740 G741 L764 E765 L769 N795	L735-C767 PolarHBondContact O-SG 3.13Å; S738-C767 WeakPolarHBondContact O-CA 3.17Å; S738-C767 PolarHBondContact O-SG 2.87Å; S738-C767 VanDerWaalsContact O-SG 3.42Å; I740-C767 HydrophobicContact CD1-CB 3.79Å; I740-C767 HydrophobicContact CG1-CB 3.7Å; G741-C767 PolarHBondContact N-O 2.59Å; L764-C767 VanDerWaalsContact C-SG 3.51Å; L764-C767 VanDerWaalsContact CA-SG 3.57Å; L764-C767 HydrophobicContact CB-CB 4.25Å; L764-C767 WeakPolarHBondContact O-CB 3.3Å; E765-C767 VanDerWaalsContact C-N 3.29Å; E765-C767 PolarHBondContact O-N 3.21Å; C767-L769 VanDerWaalsContact C-N 3.3Å; C767-L769 HydrophobicContact CB-CD1 4.15Å; C767-L769 HydrophobicContact CB-CD2 4.02Å; C767-L769 HydrophobicContact CB-CG 3.78Å; C767-L769 WeakPolarHBondContact O-CD2 3.27Å; C767-L769 PolarHBondContact O-N 2.89Å; C767-N795 PolarHBondContact N-OD1 3.11Å
768	N	91.1	Very high	94.2	Very high	102 Å²	102	38.7 Å²	38.7	55%	0.545	20%	0.199	S	C	.	.			trans	57.6	42	-177.1	-167.7	26	0	0	0	112.4	D739 N795	D739-N768 VanDerWaalsContact OD1-CB 3.24Å; D739-N768 WeakPolarHBondContact OD1-CB 3.47Å; D739-N768 PolarHBondContact OD1-ND2 3.34Å; N768-N795 PolarHBondContact N-OD1 3.34Å; N768-N795 VanDerWaalsContact N-OD1 3.14Å
769	L	93.8	Very high	94.4	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	20%	0.196	C	C	.	.			trans	-89.5	147.1	179.9	-50.7	-176	0	0	0	111.2	I740 V745 L764 C767 L792 N795 N796 L797	I740-L769 HydrophobicContact CD1-CD2 4.32Å; I740-L769 HydrophobicContact CG1-CD2 4.11Å; V745-L769 HydrophobicContact CB-CD2 4.28Å; V745-L769 HydrophobicContact CG2-CD1 3.89Å; V745-L769 HydrophobicContact CG2-CD2 3.29Å; V745-L769 HydrophobicContact CG2-CG 4.23Å; L764-L769 HydrophobicContact CB-CD1 3.92Å; L764-L769 HydrophobicContact CD1-CD1 4.01Å; C767-L769 VanDerWaalsContact C-N 3.3Å; C767-L769 HydrophobicContact CB-CD1 4.15Å; C767-L769 HydrophobicContact CB-CD2 4.02Å; C767-L769 HydrophobicContact CB-CG 3.78Å; C767-L769 WeakPolarHBondContact O-CD2 3.27Å; C767-L769 PolarHBondContact O-N 2.89Å; L769-L792 HydrophobicContact CD1-CD2 4.35Å; L769-N795 HydrophobicContact CB-CB 3.89Å; L769-N795 WeakPolarHBondContact CB-OD1 3.4Å; L769-N795 WeakPolarHBondContact CG-OD1 3.22Å; L769-N795 PolarHBondContact N-OD1 3.04Å; L769-N796 PolarHBondContact O-N 2.96Å; L769-L797 HydrophobicContact CB-CD2 4.19Å
770	T	94.4	Very high	94.4	Very high	37 Å²	37	37.3 Å²	37.3	23%	0.227	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-124.7	179.8	177.4	81.6	0	0	0	0	111.5	D742 F772 C773 N796	D742-T770 PolarHBondContact OD1-N 3.04Å; D742-T770 PolarHBondContact OD2-OG1 2.85Å; T770-F772 PolarHBondContact O-N 3.42Å; T770-F772 VanDerWaalsContact OG1-CD2 3.28Å; T770-F772 WeakPolarHBondContact OG1-CD2 3.49Å; T770-F772 PolarHBondContact OG1-N 3.46Å; T770-C773 PolarHBondContact O-N 3.47Å; T770-C773 VanDerWaalsContact O-N 3.16Å; T770-C773 PolarHBondContact O-SG 3.39Å; T770-N796 WeakPolarHBondContact CA-O 3.2Å
771	V	94.9	Very high	94.4	Very high	39 Å²	39	33.8 Å²	33.8	24%	0.236	18%	0.18	C	C	.	.	H	α-helix	trans	-46.5	-32.6	173	68.8	0	0	0	0	113.7	C773 C774 D800	V771-C773 VanDerWaalsContact C-N 3.31Å; V771-C773 PolarHBondContact O-N 3.44Å; V771-C774 WeakPolarHBondContact O-CB 3.43Å; V771-C774 PolarHBondContact O-N 3.14Å; V771-C774 VanDerWaalsContact O-N 3.13Å; V771-D800 HydrophobicContact CG2-CB 3.94Å
772	F	93.1	Very high	94.3	Very high	165 Å²	165	34.8 Å²	34.8	72%	0.724	18%	0.183	S	C	*	.	H	α-helix	trans	-66.3	-28.1	-175.7	-64	-64.8	0	0	0	114	T770 C774	T770-F772 PolarHBondContact O-N 3.42Å; T770-F772 VanDerWaalsContact OG1-CD2 3.28Å; T770-F772 WeakPolarHBondContact OG1-CD2 3.49Å; T770-F772 PolarHBondContact OG1-N 3.46Å; F772-C774 VanDerWaalsContact C-N 3.34Å
773	C	92.9	Very high	94	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.007	21%	0.212	C	C	.	.	H	α-helix	trans	-75.7	-23.6	176.6	75.7	0	0	0	0	112.9	D742 V745 T770 V771 L775 S776 I777	D742-C773 HydrophobicContact CB-CB 4.24Å; D742-C773 WeakPolarHBondContact OD1-CB 3.46Å; V745-C773 HydrophobicContact CB-CB 4.39Å; V745-C773 HydrophobicContact CG1-CB 4.09Å; T770-C773 PolarHBondContact O-N 3.47Å; T770-C773 VanDerWaalsContact O-N 3.16Å; T770-C773 PolarHBondContact O-SG 3.39Å; V771-C773 VanDerWaalsContact C-N 3.31Å; V771-C773 PolarHBondContact O-N 3.44Å; C773-L775 VanDerWaalsContact C-N 3.29Å; C773-L775 PolarHBondContact O-N 3.4Å; C773-S776 WeakPolarHBondContact O-CA 3.42Å; C773-S776 WeakPolarHBondContact O-CB 3.33Å; C773-S776 PolarHBondContact O-N 2.89Å; C773-I777 HydrophobicContact CB-CD1 4.34Å; C773-I777 PolarHBondContact O-N 2.88Å
774	C	95.3	Very high	93.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60	-38.3	-172.1	-67.9	0	0	0	0	111.8	V771 F772 S776 I777 S778 G801 L804 L805	V771-C774 WeakPolarHBondContact O-CB 3.43Å; V771-C774 PolarHBondContact O-N 3.14Å; V771-C774 VanDerWaalsContact O-N 3.13Å; F772-C774 VanDerWaalsContact C-N 3.34Å; C774-S776 VanDerWaalsContact C-N 3.3Å; C774-S776 PolarHBondContact O-N 2.74Å; C774-I777 PolarHBondContact O-N 2.6Å; C774-S778 WeakPolarHBondContact O-CB 3.39Å; C774-S778 PolarHBondContact O-N 3.03Å; C774-S778 PolarHBondContact O-OG 3.43Å; C774-G801 WeakPolarHBondContact CB-O 3.14Å; C774-G801 VanDerWaalsContact SG-CA 3.56Å; C774-L804 HydrophobicContact CB-CB 4.28Å; C774-L804 HydrophobicContact CB-CD1 4.1Å; C774-L805 HydrophobicContact CB-CG 4.48Å
775	L	94.2	Very high	93.3	Very high	102 Å²	102	48.2 Å²	48.2	53%	0.534	24%	0.241	S	C	.	.	H	α-helix	trans	-59.4	-40.1	174.4	-179.6	63.1	0	0	0	112.6	C773 N779 L804	C773-L775 VanDerWaalsContact C-N 3.29Å; C773-L775 PolarHBondContact O-N 3.4Å; L775-N779 PolarHBondContact O-N 3.01Å; L775-N779 PolarHBondContact O-ND2 3.29Å; L775-L804 HydrophobicContact CB-CD1 4.32Å
776	S	94.6	Very high	93.2	Very high	25 Å²	25	48 Å²	48	18%	0.175	24%	0.243	C	C	.	.	H	α-helix	trans	-70.1	-41.8	178.9	-61	0	0	0	0	110.9	C773 C774 N779 V780	C773-S776 WeakPolarHBondContact O-CA 3.42Å; C773-S776 WeakPolarHBondContact O-CB 3.33Å; C773-S776 PolarHBondContact O-N 2.89Å; C774-S776 VanDerWaalsContact C-N 3.3Å; C774-S776 PolarHBondContact O-N 2.74Å; S776-N779 WeakPolarHBondContact O-CB 3.33Å; S776-N779 PolarHBondContact O-N 2.96Å; S776-V780 WeakPolarHBondContact O-CG2 3.36Å; S776-V780 PolarHBondContact O-N 3.02Å
777	I	96.5	Very high	93.2	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.036	23%	0.227	C	C	.	.	H	α-helix	trans	-65.3	-45.2	177.3	-64.6	168.8	0	0	0	110.8	V745 C773 C774 N779 V780 L781 L790 L792 L805	V745-I777 HydrophobicContact CG1-CD1 4.16Å; V745-I777 HydrophobicContact CG1-CG1 4.01Å; C773-I777 HydrophobicContact CB-CD1 4.34Å; C773-I777 PolarHBondContact O-N 2.88Å; C774-I777 PolarHBondContact O-N 2.6Å; I777-N779 VanDerWaalsContact C-N 3.26Å; I777-N779 PolarHBondContact O-N 2.86Å; I777-V780 CarbonylContact O-C 3.58Å; I777-V780 WeakPolarHBondContact O-CA 3.32Å; I777-V780 VanDerWaalsContact O-CB 3.28Å; I777-V780 WeakPolarHBondContact O-CB 3.48Å; I777-V780 PolarHBondContact O-N 3.48Å; I777-L781 HydrophobicContact CG2-CD1 4.46Å; I777-L781 HydrophobicContact CG2-CG 4.38Å; I777-L781 WeakPolarHBondContact O-CG 3.41Å; I777-L781 PolarHBondContact O-N 2.93Å; I777-L790 HydrophobicContact CG2-CD2 3.65Å; I777-L792 HydrophobicContact CD1-CD1 4.13Å; I777-L792 HydrophobicContact CD1-CD2 3.85Å; I777-L805 HydrophobicContact CB-CD2 4.06Å; I777-L805 HydrophobicContact CG2-CD2 3.62Å
778	S	95.8	Very high	93.3	Very high	8 Å²	8	48.3 Å²	48.3	6%	0.056	24%	0.24	C	C	.	.	H	α-helix	trans	-55.4	-41.6	175.6	-68.3	0	0	0	0	112.2	C774 V780 L781 I782 L804 L805 A808	C774-S778 WeakPolarHBondContact O-CB 3.39Å; C774-S778 PolarHBondContact O-N 3.03Å; C774-S778 PolarHBondContact O-OG 3.43Å; S778-V780 VanDerWaalsContact C-N 3.32Å; S778-V780 PolarHBondContact O-N 3.22Å; S778-L781 PolarHBondContact O-N 3.48Å; S778-I782 WeakPolarHBondContact O-CG1 3.5Å; S778-I782 PolarHBondContact O-N 3.2Å; S778-L804 WeakPolarHBondContact CB-O 3.27Å; S778-L804 PolarHBondContact OG-O 2.88Å; S778-L805 WeakPolarHBondContact OG-CA 3.31Å; S778-L805 PolarHBondContact OG-N 3.3Å; S778-A808 WeakPolarHBondContact O-CB 3.44Å
779	N	93.8	Very high	93.5	Very high	65 Å²	65	43.9 Å²	43.9	35%	0.348	22%	0.216	S	C	.	.	H	α-helix	trans	-64.3	-35.2	174.1	-80.6	-58.7	0	0	0	113	L775 S776 I777 R783	L775-N779 PolarHBondContact O-N 3.01Å; L775-N779 PolarHBondContact O-ND2 3.29Å; S776-N779 WeakPolarHBondContact O-CB 3.33Å; S776-N779 PolarHBondContact O-N 2.96Å; I777-N779 VanDerWaalsContact C-N 3.26Å; I777-N779 PolarHBondContact O-N 2.86Å; N779-R783 WeakPolarHBondContact O-CB 3.36Å; N779-R783 WeakPolarHBondContact O-CG 3.41Å; N779-R783 PolarHBondContact O-N 3.4Å
780	V	95.1	Very high	93.7	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-65.1	-46.7	172.3	174.1	0	0	0	0	110.4	C749 L752 K753 S776 I777 S778 I782 R783 S784 L787	C749-V780 HydrophobicContact CB-CG2 3.49Å; C749-V780 VanDerWaalsContact CB-CG2 3.49Å; C749-V780 WeakPolarHBondContact O-CG2 3.42Å; L752-V780 HydrophobicContact CB-CG1 3.63Å; L752-V780 HydrophobicContact CB-CG2 4.12Å; L752-V780 HydrophobicContact CD1-CG1 4.08Å; L752-V780 HydrophobicContact CG-CG1 4.48Å; K753-V780 HydrophobicContact CG-CG2 4.09Å; S776-V780 WeakPolarHBondContact O-CG2 3.36Å; S776-V780 PolarHBondContact O-N 3.02Å; I777-V780 CarbonylContact O-C 3.58Å; I777-V780 WeakPolarHBondContact O-CA 3.32Å; I777-V780 VanDerWaalsContact O-CB 3.28Å; I777-V780 WeakPolarHBondContact O-CB 3.48Å; I777-V780 PolarHBondContact O-N 3.48Å; S778-V780 VanDerWaalsContact C-N 3.32Å; S778-V780 PolarHBondContact O-N 3.22Å; V780-I782 PolarHBondContact O-N 3.14Å; V780-I782 VanDerWaalsContact O-N 3.16Å; V780-R783 PolarHBondContact O-N 3.45Å; V780-R783 VanDerWaalsContact O-N 3.09Å; V780-S784 VanDerWaalsContact O-CB 3.25Å; V780-S784 WeakPolarHBondContact O-CB 3.48Å; V780-S784 PolarHBondContact O-N 3.46Å; V780-L787 HydrophobicContact CG1-CD2 4.29Å
781	L	94.6	Very high	93.8	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-58.9	-29.2	-179.3	-67.1	-178.4	0	0	0	113	I777 S778 L787 L790 L805 A808 C814 L816	I777-L781 HydrophobicContact CG2-CD1 4.46Å; I777-L781 HydrophobicContact CG2-CG 4.38Å; I777-L781 WeakPolarHBondContact O-CG 3.41Å; I777-L781 PolarHBondContact O-N 2.93Å; S778-L781 PolarHBondContact O-N 3.48Å; L781-L787 HydrophobicContact CD2-CD2 4.21Å; L781-L790 HydrophobicContact CD2-CD2 4.16Å; L781-L805 HydrophobicContact CD1-CD2 4.18Å; L781-A808 HydrophobicContact CB-CB 3.99Å; L781-A808 HydrophobicContact CD1-CB 4.25Å; L781-C814 WeakPolarHBondContact O-CA 3.35Å; L781-L816 HydrophobicContact CD2-CB 4.26Å; L781-L816 HydrophobicContact CD2-CD1 4.08Å; L781-L816 HydrophobicContact CD2-CD2 3.95Å; L781-L816 HydrophobicContact CD2-CG 4.33Å
782	I	92.7	Very high	93.9	Very high	48 Å²	48	40.4 Å²	40.4	25%	0.246	20%	0.195	C	C	.	.	H	α-helix	trans	-82.4	-32.1	177.9	-66.7	167.2	0	0	0	112.6	S778 V780 A808 H811	S778-I782 WeakPolarHBondContact O-CG1 3.5Å; S778-I782 PolarHBondContact O-N 3.2Å; V780-I782 PolarHBondContact O-N 3.14Å; V780-I782 VanDerWaalsContact O-N 3.16Å; I782-A808 HydrophobicContact CD1-CB 4.05Å; I782-A808 HydrophobicContact CG1-CB 3.91Å; I782-H811 HydrophobicContact CG1-CB 3.98Å
783	R	91.8	Very high	94	Very high	166 Å²	166	32.6 Å²	32.6	63%	0.626	16%	0.161	S	C	*	.	H	α-helix	trans	-101.8	-33	-170.9	-69.5	-171.6	178	-158.1	1.2	114.1	K753 N779 V780	K753-R783 HydrophobicContact CG-CB 4.21Å; N779-R783 WeakPolarHBondContact O-CB 3.36Å; N779-R783 WeakPolarHBondContact O-CG 3.41Å; N779-R783 PolarHBondContact O-N 3.4Å; V780-R783 PolarHBondContact O-N 3.45Å; V780-R783 VanDerWaalsContact O-N 3.09Å
784	S	88.5	Confident	94.1	Very high	8 Å²	8	34.7 Å²	34.7	6%	0.056	17%	0.173	C	C	.	.			trans	-73.6	133.2	179	-176.4	0	0	0	0	110.2	V780 S786 L787	V780-S784 VanDerWaalsContact O-CB 3.25Å; V780-S784 WeakPolarHBondContact O-CB 3.48Å; V780-S784 PolarHBondContact O-N 3.46Å; S784-S786 PolarHBondContact OG-N 2.78Å; S784-S786 PolarHBondContact OG-OG 2.99Å; S784-L787 PolarHBondContact OG-N 3.1Å
785	Q	86.6	Confident	94.1	Very high	147 Å²	147	35 Å²	35	69%	0.687	18%	0.175	S	C	*	.	S	Bend	trans	-106.6	-3.2	176.3	-60.7	180	3.1	0	0	112.2	Y815	Q785-Y815 HydrophobicContact CB-CD2 4.28Å; Q785-Y815 HydrophobicContact CB-CE2 4.23Å; Q785-Y815 HydrophobicContact CG-CD2 4.28Å; Q785-Y815 HydrophobicContact CG-CE2 3.96Å
786	S	91.1	Very high	94.1	Very high	27 Å²	27	34.6 Å²	34.6	19%	0.189	17%	0.173	C	C	.	.	S	Bend	trans	-103	-28.5	-176.9	65.2	0	0	0	0	113.1	C757 L759 Q760 S784 I788	C757-S786 PolarHBondContact O-OG 3Å; L759-S786 CarbonylContact O-C 3.59Å; L759-S786 WeakPolarHBondContact O-CB 3.23Å; L759-S786 PolarHBondContact O-OG 3.43Å; Q760-S786 WeakPolarHBondContact CA-O 3.22Å; S784-S786 PolarHBondContact OG-N 2.78Å; S784-S786 PolarHBondContact OG-OG 2.99Å; S786-I788 PolarHBondContact O-N 3.41Å
787	L	94.4	Very high	94.1	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.031	17%	0.165	C	C	.	.			trans	-73.9	112.1	-171.5	-169.7	68.5	0	0	0	111.3	L759 L762 V780 L781 S784 L816	L759-L787 PolarHBondContact O-N 3.12Å; L762-L787 HydrophobicContact CB-CD1 3.89Å; V780-L787 HydrophobicContact CG1-CD2 4.29Å; L781-L787 HydrophobicContact CD2-CD2 4.21Å; S784-L787 PolarHBondContact OG-N 3.1Å; L787-L816 HydrophobicContact CD2-CD1 4.41Å; L787-L816 HydrophobicContact CG-CD1 4.18Å
788	I	94.9	Very high	94.2	Very high	52 Å²	52	36.6 Å²	36.6	27%	0.267	18%	0.182	S	C	.	.			trans	-101.7	-38	-177.5	-65.7	167.6	0	0	0	110.7	Q760 S786 L816 E817 R818	Q760-I788 HydrophobicContact CB-CD1 4.31Å; Q760-I788 HydrophobicContact CG-CD1 4.22Å; Q760-I788 PolarHBondContact O-N 2.96Å; S786-I788 PolarHBondContact O-N 3.41Å; I788-L816 WeakPolarHBondContact O-CD1 3.35Å; I788-E817 HydrophobicContact CG2-CB 3.93Å; I788-E817 HydrophobicContact CG2-CG 4.07Å; I788-E817 PolarHBondContact O-N 3.31Å; I788-R818 PolarHBondContact O-N 3.35Å
789	F	95.8	Very high	94.2	Very high	10 Å²	10	37.6 Å²	37.6	4%	0.044	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.4	-177.3	176	-145	0	0	0	112.1	Q760 T761 L762 R763 N791 R818	Q760-F789 PolarHBondContact O-N 2.82Å; T761-F789 WeakPolarHBondContact CA-O 3.32Å; T761-F789 HydrophobicContact CG2-CB 4.31Å; T761-F789 HydrophobicContact CG2-CD1 3.35Å; T761-F789 HydrophobicContact CG2-CE1 4.01Å; T761-F789 HydrophobicContact CG2-CG 4.18Å; L762-F789 PolarHBondContact N-O 2.82Å; R763-F789 HydrophobicContact CG-CE1 4.27Å; F789-N791 HydrophobicContact CE2-CB 4.04Å; F789-N791 HydrophobicContact CZ-CB 3.83Å; F789-R818 WeakPolarHBondContact CA-O 3.43Å; F789-R818 HydrophobicContact CB-CB 4.01Å; F789-R818 HydrophobicContact CD2-CB 3.51Å; F789-R818 HydrophobicContact CE2-CB 4.35Å; F789-R818 HydrophobicContact CG-CB 4.05Å
790	L	97.1	Very high	94.3	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.6	174.2	-178.9	61.4	0	0	0	110.2	L762 I777 L781 L792 L816 R818 L819 S820	L762-L790 HydrophobicContact CB-CD1 4.09Å; L762-L790 HydrophobicContact CD2-CD1 3.95Å; L762-L790 HydrophobicContact CG-CD1 4.1Å; L762-L790 WeakPolarHBondContact O-CA 3.39Å; I777-L790 HydrophobicContact CG2-CD2 3.65Å; L781-L790 HydrophobicContact CD2-CD2 4.16Å; L790-L792 HydrophobicContact CD1-CD2 3.91Å; L790-L792 HydrophobicContact CD1-CG 4.3Å; L790-L792 HydrophobicContact CD2-CD1 4.02Å; L790-L792 HydrophobicContact CD2-CD2 4.33Å; L790-L792 HydrophobicContact CD2-CG 4.12Å; L790-L792 HydrophobicContact CG-CD1 4.4Å; L790-L792 HydrophobicContact CG-CD2 4.12Å; L790-L792 HydrophobicContact CG-CG 3.95Å; L790-L816 HydrophobicContact CB-CD1 3.76Å; L790-L816 HydrophobicContact CB-CD2 4.26Å; L790-R818 PolarHBondContact N-O 2.83Å; L790-L819 HydrophobicContact CB-CD1 4.27Å; L790-L819 HydrophobicContact CD2-CD1 4.31Å; L790-L819 HydrophobicContact CG-CD1 4.33Å; L790-L819 WeakPolarHBondContact O-CA 3.41Å; L790-S820 PolarHBondContact O-N 3.5Å
791	N	96.3	Very high	94.3	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.4	171.8	-178.2	-8.9	0	0	0	109.4	L762 R763 L764 F789 S793	L762-N791 PolarHBondContact O-N 3.14Å; R763-N791 HydrophobicContact CB-CB 4.2Å; R763-N791 HydrophobicContact CG-CB 4Å; L764-N791 PolarHBondContact N-O 2.95Å; F789-N791 HydrophobicContact CE2-CB 4.04Å; F789-N791 HydrophobicContact CZ-CB 3.83Å; N791-S793 WeakPolarHBondContact OD1-CB 3.46Å; N791-S793 PolarHBondContact OD1-N 3.17Å; N791-S793 PolarHBondContact OD1-OG 3.42Å
792	L	96.8	Very high	94.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.			trans	-116.3	15.4	176.9	-58.2	175.6	0	0	0	112.6	L764 L769 I777 L790 N795 L797 L805 S820 L821 C824	L764-L792 HydrophobicContact CB-CD2 4.14Å; L764-L792 HydrophobicContact CD1-CD2 3.92Å; L764-L792 HydrophobicContact CG-CD2 4.47Å; L769-L792 HydrophobicContact CD1-CD2 4.35Å; I777-L792 HydrophobicContact CD1-CD1 4.13Å; I777-L792 HydrophobicContact CD1-CD2 3.85Å; L790-L792 HydrophobicContact CD1-CD2 3.91Å; L790-L792 HydrophobicContact CD1-CG 4.3Å; L790-L792 HydrophobicContact CD2-CD1 4.02Å; L790-L792 HydrophobicContact CD2-CD2 4.33Å; L790-L792 HydrophobicContact CD2-CG 4.12Å; L790-L792 HydrophobicContact CG-CD1 4.4Å; L790-L792 HydrophobicContact CG-CD2 4.12Å; L790-L792 HydrophobicContact CG-CG 3.95Å; L792-N795 WeakPolarHBondContact O-CB 3.38Å; L792-N795 PolarHBondContact O-ND2 2.89Å; L792-L797 HydrophobicContact CB-CD1 3.92Å; L792-L797 HydrophobicContact CD1-CD1 3.81Å; L792-L797 HydrophobicContact CG-CD1 4.49Å; L792-L805 HydrophobicContact CD1-CD1 3.74Å; L792-S820 PolarHBondContact N-O 3.44Å; L792-L821 HydrophobicContact CB-CD2 4.25Å; L792-L821 HydrophobicContact CD1-CD2 4.19Å; L792-C824 PolarHBondContact O-SG 3.2Å
793	S	95.3	Very high	94.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.007	20%	0.201	C	C	.	.			trans	-58	157.4	-171.5	-47.3	0	0	0	0	112.2	E765 S766 N791 N795 S820 E822	E765-S793 CarbonylContact C-O 3.36Å; E765-S793 WeakPolarHBondContact CA-O 3.39Å; S766-S793 PolarHBondContact N-O 3.27Å; N791-S793 WeakPolarHBondContact OD1-CB 3.46Å; N791-S793 PolarHBondContact OD1-N 3.17Å; N791-S793 PolarHBondContact OD1-OG 3.42Å; S793-N795 VanDerWaalsContact C-N 3.28Å; S793-N795 PolarHBondContact O-N 3.45Å; S793-N795 PolarHBondContact O-ND2 3.45Å; S793-N795 VanDerWaalsContact O-ND2 3.14Å; S793-S820 WeakPolarHBondContact OG-CB 3.36Å; S793-S820 PolarHBondContact OG-OG 3.36Å; S793-E822 CarbonylContact C-O 3.6Å; S793-E822 WeakPolarHBondContact CA-O 3.44Å; S793-E822 VanDerWaalsContact CB-O 3.25Å; S793-E822 WeakPolarHBondContact CB-O 3.21Å; S793-E822 PolarHBondContact OG-N 3.4Å
794	T	94.3	Very high	94.9	Very high	45 Å²	45	35 Å²	35	28%	0.276	18%	0.183	S	C	.	.	S	Bend	trans	54	41.3	178.1	56.8	0	0	0	0	113.1	E765 S766 E822 S823	E765-T794 WeakPolarHBondContact CG-OG1 3.22Å; S766-T794 WeakPolarHBondContact CA-O 3.44Å; S766-T794 WeakPolarHBondContact CA-OG1 3.44Å; S766-T794 PolarHBondContact N-OG1 3.01Å; S766-T794 WeakPolarHBondContact OG-CB 3.46Å; S766-T794 PolarHBondContact OG-OG1 3.24Å; T794-E822 PolarHBondContact N-O 3.32Å; T794-S823 VanDerWaalsContact CA-O 3.3Å; T794-S823 WeakPolarHBondContact CA-O 3.27Å; T794-S823 PolarHBondContact N-O 2.78Å
795	N	95.6	Very high	95.3	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.037	18%	0.181	C	C	.	.	S	Bend	trans	-129.2	149.7	172.4	-70.2	-67.9	0	0	0	110.7	L764 C767 N768 L769 L792 S793 L797 C824	L764-N795 PolarHBondContact O-ND2 3.41Å; C767-N795 PolarHBondContact N-OD1 3.11Å; N768-N795 PolarHBondContact N-OD1 3.34Å; N768-N795 VanDerWaalsContact N-OD1 3.14Å; L769-N795 HydrophobicContact CB-CB 3.89Å; L769-N795 WeakPolarHBondContact CB-OD1 3.4Å; L769-N795 WeakPolarHBondContact CG-OD1 3.22Å; L769-N795 PolarHBondContact N-OD1 3.04Å; L792-N795 WeakPolarHBondContact O-CB 3.38Å; L792-N795 PolarHBondContact O-ND2 2.89Å; S793-N795 VanDerWaalsContact C-N 3.28Å; S793-N795 PolarHBondContact O-N 3.45Å; S793-N795 PolarHBondContact O-ND2 3.45Å; S793-N795 VanDerWaalsContact O-ND2 3.14Å; N795-L797 VanDerWaalsContact C-N 3.31Å; N795-L797 HydrophobicContact CB-CD2 4.02Å; N795-L797 HydrophobicContact CB-CG 4.24Å; N795-L797 PolarHBondContact O-N 3.41Å; N795-C824 CarbonylContact O-C 3.56Å; N795-C824 WeakPolarHBondContact O-CA 3.26Å
796	N	94.1	Very high	95.7	Very high	92 Å²	92	27.7 Å²	27.7	49%	0.492	15%	0.148	S	C	.	.	B	Isolated β-bridge	trans	-86.1	66.8	-174.1	-166.9	40.8	0	0	0	112.5	L769 T770 L798	L769-N796 PolarHBondContact O-N 2.96Å; T770-N796 WeakPolarHBondContact CA-O 3.2Å; N796-L798 WeakPolarHBondContact OD1-CD2 3.33Å
797	L	96	Very high	96	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.			trans	-78.1	-33.5	-176.5	-54.3	-171.8	0	0	0	112.7	L769 L792 N795 G801 L805 L821 C824	L769-L797 HydrophobicContact CB-CD2 4.19Å; L792-L797 HydrophobicContact CB-CD1 3.92Å; L792-L797 HydrophobicContact CD1-CD1 3.81Å; L792-L797 HydrophobicContact CG-CD1 4.49Å; N795-L797 VanDerWaalsContact C-N 3.31Å; N795-L797 HydrophobicContact CB-CD2 4.02Å; N795-L797 HydrophobicContact CB-CG 4.24Å; N795-L797 PolarHBondContact O-N 3.41Å; L797-G801 WeakPolarHBondContact O-CA 3.16Å; L797-G801 PolarHBondContact O-N 2.82Å; L797-L805 HydrophobicContact CD1-CD1 4.27Å; L797-L821 HydrophobicContact CD1-CD2 4.02Å; L797-C824 HydrophobicContact CB-CB 4.43Å; L797-C824 HydrophobicContact CG-CB 4.41Å; L797-C824 PolarHBondContact N-O 2.93Å
798	L	96.6	Very high	96.1	Very high	74 Å²	74	30.6 Å²	30.6	39%	0.387	16%	0.159	S	C	.	.	H	α-helix	trans	59.2	176.3	-177	-52.2	175.1	0	0	0	113.2	N796 D800 G801 V802 C824	N796-L798 WeakPolarHBondContact OD1-CD2 3.33Å; L798-D800 PolarHBondContact O-N 3.07Å; L798-G801 PolarHBondContact O-N 3.37Å; L798-V802 WeakPolarHBondContact O-CG2 3.4Å; L798-V802 PolarHBondContact O-N 3.15Å; L798-C824 PolarHBondContact N-O 2.83Å
799	D	97.2	Very high	96.1	Very high	30 Å²	30	28.3 Å²	28.3	16%	0.16	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-43	-178.1	-61.7	-43.8	0	0	0	112.3	G801 V802 Q803 L826 T827 G830	D799-G801 VanDerWaalsContact C-N 3.29Å; D799-G801 PolarHBondContact O-N 2.84Å; D799-V802 PolarHBondContact O-N 2.96Å; D799-V802 VanDerWaalsContact O-N 3.14Å; D799-Q803 PolarHBondContact O-N 3.19Å; D799-L826 WeakPolarHBondContact OD1-CA 3.34Å; D799-T827 PolarHBondContact OD1-N 2.86Å; D799-T827 WeakPolarHBondContact OD2-CB 3.44Å; D799-T827 PolarHBondContact OD2-OG1 3Å; D799-G830 VanDerWaalsContact OD1-CA 3.31Å; D799-G830 WeakPolarHBondContact OD1-CA 3.35Å; D799-G830 PolarHBondContact OD1-N 3.44Å; D799-G830 VanDerWaalsContact OD1-N 3.09Å
800	D	95.6	Very high	96	Very high	110 Å²	110	32 Å²	32	59%	0.588	16%	0.16	S	C	*	.	H	α-helix	trans	-58.5	-38.1	177.8	-68.4	-10	0	0	0	112.7	V771 L798 L804	V771-D800 HydrophobicContact CG2-CB 3.94Å; L798-D800 PolarHBondContact O-N 3.07Å; D800-L804 PolarHBondContact O-N 3.29Å
801	G	95.8	Very high	95.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-70.4	-40.6	178.2	0	0	0	0	0	111.6	C774 L797 L798 D799 L804 L805	C774-G801 WeakPolarHBondContact CB-O 3.14Å; C774-G801 VanDerWaalsContact SG-CA 3.56Å; L797-G801 WeakPolarHBondContact O-CA 3.16Å; L797-G801 PolarHBondContact O-N 2.82Å; L798-G801 PolarHBondContact O-N 3.37Å; D799-G801 VanDerWaalsContact C-N 3.29Å; D799-G801 PolarHBondContact O-N 2.84Å; G801-L804 WeakPolarHBondContact O-CB 3.32Å; G801-L804 PolarHBondContact O-N 3.31Å; G801-L805 PolarHBondContact O-N 2.81Å
802	V	95.9	Very high	95.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.9	-36.6	177.6	172.3	0	0	0	0	111.6	L798 D799 L804 L805 C806 L821 L826 L834	L798-V802 WeakPolarHBondContact O-CG2 3.4Å; L798-V802 PolarHBondContact O-N 3.15Å; D799-V802 PolarHBondContact O-N 2.96Å; D799-V802 VanDerWaalsContact O-N 3.14Å; V802-L804 VanDerWaalsContact C-N 3.29Å; V802-L804 PolarHBondContact O-N 3.46Å; V802-L805 CarbonylContact O-C 3.6Å; V802-L805 WeakPolarHBondContact O-CB 3.26Å; V802-L805 PolarHBondContact O-N 3.25Å; V802-C806 WeakPolarHBondContact O-CB 3.39Å; V802-C806 PolarHBondContact O-N 3.26Å; V802-C806 PolarHBondContact O-SG 3.35Å; V802-L821 HydrophobicContact CG1-CD1 4.29Å; V802-L821 HydrophobicContact CG2-CD1 4.17Å; V802-L826 HydrophobicContact CB-CD2 4.3Å; V802-L826 HydrophobicContact CG1-CD2 3.94Å; V802-L826 HydrophobicContact CG2-CD1 3.8Å; V802-L826 HydrophobicContact CG2-CD2 3.82Å; V802-L826 HydrophobicContact CG2-CG 3.76Å; V802-L834 HydrophobicContact CG1-CD1 3.96Å; V802-L834 HydrophobicContact CG1-CD2 4.09Å; V802-L834 HydrophobicContact CG1-CG 3.77Å
803	Q	97.1	Very high	95.3	Very high	75 Å²	75	47 Å²	47	35%	0.35	24%	0.238	S	C	.	.	H	α-helix	trans	-52.9	-47.7	172.1	178.3	-179.1	5.6	0	0	111.4	D799 L805 C806 E807 D833	D799-Q803 PolarHBondContact O-N 3.19Å; Q803-L805 VanDerWaalsContact C-N 3.33Å; Q803-L805 PolarHBondContact O-N 2.84Å; Q803-C806 WeakPolarHBondContact O-CB 3.29Å; Q803-C806 PolarHBondContact O-N 3.4Å; Q803-E807 WeakPolarHBondContact O-CG 3.27Å; Q803-E807 PolarHBondContact O-N 3.47Å; Q803-D833 WeakPolarHBondContact CG-OD2 3.48Å
804	L	96.9	Very high	95.1	Very high	47 Å²	47	47 Å²	47	25%	0.246	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-38.7	177	-65.3	171.8	0	0	0	112.3	C774 L775 S778 D800 G801 V802 A808	C774-L804 HydrophobicContact CB-CB 4.28Å; C774-L804 HydrophobicContact CB-CD1 4.1Å; L775-L804 HydrophobicContact CB-CD1 4.32Å; S778-L804 WeakPolarHBondContact CB-O 3.27Å; S778-L804 PolarHBondContact OG-O 2.88Å; D800-L804 PolarHBondContact O-N 3.29Å; G801-L804 WeakPolarHBondContact O-CB 3.32Å; G801-L804 PolarHBondContact O-N 3.31Å; V802-L804 VanDerWaalsContact C-N 3.29Å; V802-L804 PolarHBondContact O-N 3.46Å; L804-A808 PolarHBondContact O-N 3.08Å
805	L	97.2	Very high	95	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-66.3	-42	175.8	-63.3	176.8	0	0	0	110.8	C774 I777 S778 L781 L792 L797 G801 V802 Q803 E807 A808 L809 L821	C774-L805 HydrophobicContact CB-CG 4.48Å; I777-L805 HydrophobicContact CB-CD2 4.06Å; I777-L805 HydrophobicContact CG2-CD2 3.62Å; S778-L805 WeakPolarHBondContact OG-CA 3.31Å; S778-L805 PolarHBondContact OG-N 3.3Å; L781-L805 HydrophobicContact CD1-CD2 4.18Å; L792-L805 HydrophobicContact CD1-CD1 3.74Å; L797-L805 HydrophobicContact CD1-CD1 4.27Å; G801-L805 PolarHBondContact O-N 2.81Å; V802-L805 CarbonylContact O-C 3.6Å; V802-L805 WeakPolarHBondContact O-CB 3.26Å; V802-L805 PolarHBondContact O-N 3.25Å; Q803-L805 VanDerWaalsContact C-N 3.33Å; Q803-L805 PolarHBondContact O-N 2.84Å; L805-E807 PolarHBondContact O-N 3.15Å; L805-A808 WeakPolarHBondContact O-CB 3.43Å; L805-A808 PolarHBondContact O-N 2.64Å; L805-A808 VanDerWaalsContact O-N 3.12Å; L805-L809 WeakPolarHBondContact O-CG 3.48Å; L805-L809 PolarHBondContact O-N 2.85Å; L805-L821 HydrophobicContact CD1-CD2 4Å
806	C	96.7	Very high	95	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-38.6	177.5	-70.5	0	0	0	0	112.8	V802 Q803 A808 L809 R810 D833 L834 A837	V802-C806 WeakPolarHBondContact O-CB 3.39Å; V802-C806 PolarHBondContact O-N 3.26Å; V802-C806 PolarHBondContact O-SG 3.35Å; Q803-C806 WeakPolarHBondContact O-CB 3.29Å; Q803-C806 PolarHBondContact O-N 3.4Å; C806-A808 VanDerWaalsContact C-N 3.3Å; C806-A808 PolarHBondContact O-N 3.24Å; C806-L809 PolarHBondContact O-N 3.25Å; C806-R810 WeakPolarHBondContact O-CG 3.35Å; C806-R810 PolarHBondContact O-N 3.42Å; C806-R810 PolarHBondContact O-NE 3.07Å; C806-D833 HydrophobicContact CB-CB 3.86Å; C806-L834 VanDerWaalsContact SG-CA 3.59Å; C806-L834 VanDerWaalsContact SG-CD2 3.54Å; C806-A837 HydrophobicContact CB-CB 3.98Å
807	E	95.7	Very high	95.1	Very high	93 Å²	93	47 Å²	47	44%	0.435	23%	0.229	S	C	.	.	H	α-helix	trans	-55.8	-44.4	169.4	-75	177.3	-174.7	0	0	112.2	Q803 L805 R810	Q803-E807 WeakPolarHBondContact O-CG 3.27Å; Q803-E807 PolarHBondContact O-N 3.47Å; L805-E807 PolarHBondContact O-N 3.15Å; E807-R810 VanDerWaalsContact CG-NH2 3.26Å; E807-R810 PolarHBondContact O-N 2.8Å
808	A	96.2	Very high	95.1	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-70	-39	176.9	0	0	0	0	0	113.1	S778 L781 I782 L804 L805 C806 R810 H811	S778-A808 WeakPolarHBondContact O-CB 3.44Å; L781-A808 HydrophobicContact CB-CB 3.99Å; L781-A808 HydrophobicContact CD1-CB 4.25Å; I782-A808 HydrophobicContact CD1-CB 4.05Å; I782-A808 HydrophobicContact CG1-CB 3.91Å; L804-A808 PolarHBondContact O-N 3.08Å; L805-A808 WeakPolarHBondContact O-CB 3.43Å; L805-A808 PolarHBondContact O-N 2.64Å; L805-A808 VanDerWaalsContact O-N 3.12Å; C806-A808 VanDerWaalsContact C-N 3.3Å; C806-A808 PolarHBondContact O-N 3.24Å; A808-R810 PolarHBondContact O-N 3.22Å; A808-H811 WeakPolarHBondContact O-CB 3.38Å; A808-H811 PolarHBondContact O-N 2.84Å
809	L	95.9	Very high	95.1	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-32.7	175.9	-71.3	172.9	0	0	0	112.1	L805 C806 H811 L816 L819 A837 N841	L805-L809 WeakPolarHBondContact O-CG 3.48Å; L805-L809 PolarHBondContact O-N 2.85Å; C806-L809 PolarHBondContact O-N 3.25Å; L809-H811 PolarHBondContact O-N 3.33Å; L809-L816 HydrophobicContact CD2-CB 4.45Å; L809-L816 HydrophobicContact CD2-CD2 4.05Å; L809-L819 HydrophobicContact CD1-CD2 3.93Å; L809-A837 HydrophobicContact CB-CB 4.09Å; L809-A837 HydrophobicContact CD1-CB 4.4Å; L809-N841 PolarHBondContact O-ND2 2.82Å
810	R	94.7	Very high	95.1	Very high	88 Å²	88	46 Å²	46	33%	0.332	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-15.5	175	-71.4	-178.1	-72.4	-172.4	-5.6	113.1	C806 E807 A808 D833 A837	C806-R810 WeakPolarHBondContact O-CG 3.35Å; C806-R810 PolarHBondContact O-N 3.42Å; C806-R810 PolarHBondContact O-NE 3.07Å; E807-R810 VanDerWaalsContact CG-NH2 3.26Å; E807-R810 PolarHBondContact O-N 2.8Å; A808-R810 PolarHBondContact O-N 3.22Å; R810-D833 IonicContact NH2-OD1 3.89Å; R810-A837 HydrophobicContact CG-CB 4.15Å
811	H	94	Very high	95.1	Very high	69 Å²	69	40.7 Å²	40.7	32%	0.319	19%	0.19	S	C	.	.	S	Bend	trans	-74.3	133.8	-177.9	-167	-88.4	0	0	0	111.3	I782 A808 L809 K813 C814	I782-H811 HydrophobicContact CG1-CB 3.98Å; A808-H811 WeakPolarHBondContact O-CB 3.38Å; A808-H811 PolarHBondContact O-N 2.84Å; L809-H811 PolarHBondContact O-N 3.33Å; H811-K813 WeakPolarHBondContact ND1-CB 3.31Å; H811-K813 PolarHBondContact ND1-N 3.34Å; H811-K813 PolarHBondContact O-N 3.41Å; H811-C814 WeakPolarHBondContact O-CB 3.44Å; H811-C814 PolarHBondContact O-N 3.21Å
812	P	90.1	Very high	95.1	Very high	117 Å²	117	42.8 Å²	42.8	76%	0.76	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-15.6	-173.9	26	-36.5	0	0	0	114.5
813	K	89.7	Confident	95.1	Very high	133 Å²	133	45.3 Å²	45.3	58%	0.578	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	1.8	175.6	-58.9	-174.5	-176.8	175.6	0	113.8	H811 Y815	H811-K813 WeakPolarHBondContact ND1-CB 3.31Å; H811-K813 PolarHBondContact ND1-N 3.34Å; H811-K813 PolarHBondContact O-N 3.41Å; K813-Y815 WeakPolarHBondContact O-CD2 3.27Å; K813-Y815 PolarHBondContact O-N 3.38Å
814	C	92.8	Very high	95.1	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.02	20%	0.201	C	C	.	.			trans	-73.8	121.6	176	-171.6	0	0	0	0	110.4	L781 H811 R843	L781-C814 WeakPolarHBondContact O-CA 3.35Å; H811-C814 WeakPolarHBondContact O-CB 3.44Å; H811-C814 PolarHBondContact O-N 3.21Å; C814-R843 WeakPolarHBondContact O-CD 3.46Å
815	Y	92.4	Very high	95	Very high	79 Å²	79	41.2 Å²	41.2	31%	0.31	21%	0.206	S	C	.	.			trans	-97.2	-0.7	179.9	-80.1	-96.6	0	0	0	114	Q785 K813 E817	Q785-Y815 HydrophobicContact CB-CD2 4.28Å; Q785-Y815 HydrophobicContact CB-CE2 4.23Å; Q785-Y815 HydrophobicContact CG-CD2 4.28Å; Q785-Y815 HydrophobicContact CG-CE2 3.96Å; K813-Y815 WeakPolarHBondContact O-CD2 3.27Å; K813-Y815 PolarHBondContact O-N 3.38Å; Y815-E817 PolarHBondContact O-N 2.87Å
816	L	95.1	Very high	94.9	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.206	C	C	.	.			trans	-65.4	127.1	-174.9	-162.3	76.6	0	0	0	110.9	L781 L787 I788 L790 L809 L819	L781-L816 HydrophobicContact CD2-CB 4.26Å; L781-L816 HydrophobicContact CD2-CD1 4.08Å; L781-L816 HydrophobicContact CD2-CD2 3.95Å; L781-L816 HydrophobicContact CD2-CG 4.33Å; L787-L816 HydrophobicContact CD2-CD1 4.41Å; L787-L816 HydrophobicContact CG-CD1 4.18Å; I788-L816 WeakPolarHBondContact O-CD1 3.35Å; L790-L816 HydrophobicContact CB-CD1 3.76Å; L790-L816 HydrophobicContact CB-CD2 4.26Å; L809-L816 HydrophobicContact CD2-CB 4.45Å; L809-L816 HydrophobicContact CD2-CD2 4.05Å; L816-L819 HydrophobicContact CD2-CB 3.94Å; L816-L819 HydrophobicContact CD2-CD1 4.14Å; L816-L819 HydrophobicContact CD2-CG 4.42Å
817	E	95.5	Very high	94.9	Very high	63 Å²	63	44 Å²	44	29%	0.294	22%	0.224	S	C	.	.			trans	-105.3	-24.3	178.1	-60.9	-176.6	179.1	0	0	111.9	I788 Y815 R843 T845 H846	I788-E817 HydrophobicContact CG2-CB 3.93Å; I788-E817 HydrophobicContact CG2-CG 4.07Å; I788-E817 PolarHBondContact O-N 3.31Å; Y815-E817 PolarHBondContact O-N 2.87Å; E817-R843 WeakPolarHBondContact CA-O 3.49Å; E817-T845 PolarHBondContact O-N 2.78Å; E817-T845 PolarHBondContact O-OG1 2.93Å; E817-H846 PolarHBondContact O-N 3.13Å
818	R	95.2	Very high	94.8	Very high	81 Å²	81	44.6 Å²	44.6	31%	0.306	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	125.8	-171.8	-53.6	172.7	-176.1	-167.1	-12.8	110.3	I788 F789 L790 H846 F1092	I788-R818 PolarHBondContact O-N 3.35Å; F789-R818 WeakPolarHBondContact CA-O 3.43Å; F789-R818 HydrophobicContact CB-CB 4.01Å; F789-R818 HydrophobicContact CD2-CB 3.51Å; F789-R818 HydrophobicContact CE2-CB 4.35Å; F789-R818 HydrophobicContact CG-CB 4.05Å; L790-R818 PolarHBondContact N-O 2.83Å; R818-H846 WeakPolarHBondContact CA-O 3.41Å; R818-H846 HydrophobicContact CB-CB 4.2Å; R818-H846 HydrophobicContact CG-CB 3.94Å; R818-F1092 HydrophobicContact CB-CD1 4.44Å; R818-F1092 VanDerWaalsContact CD-C 3.42Å; R818-F1092 WeakPolarHBondContact CD-O 3.49Å; R818-F1092 WeakPolarHBondContact CD-OXT 3.42Å; R818-F1092 PolarHBondContact NE-OXT 2.85Å; R818-F1092 PolarHBondContact NH1-O 2.93Å; R818-F1092 PolarHBondContact NH1-OXT 3.24Å; R818-F1092 PolarHBondContact NH2-OXT 3.47Å
819	L	97.1	Very high	94.7	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.6	178.7	-179.3	59.6	0	0	0	110.9	L790 L809 L816 L821 L844 H846 L847 C848	L790-L819 HydrophobicContact CB-CD1 4.27Å; L790-L819 HydrophobicContact CD2-CD1 4.31Å; L790-L819 HydrophobicContact CG-CD1 4.33Å; L790-L819 WeakPolarHBondContact O-CA 3.41Å; L809-L819 HydrophobicContact CD1-CD2 3.93Å; L816-L819 HydrophobicContact CD2-CB 3.94Å; L816-L819 HydrophobicContact CD2-CD1 4.14Å; L816-L819 HydrophobicContact CD2-CG 4.42Å; L819-L821 HydrophobicContact CD1-CD2 4.23Å; L819-L821 HydrophobicContact CD1-CG 4.34Å; L819-L821 HydrophobicContact CD2-CD1 4.01Å; L819-L821 HydrophobicContact CD2-CG 4.2Å; L819-L821 HydrophobicContact CG-CD1 4.38Å; L819-L821 HydrophobicContact CG-CD2 4.45Å; L819-L821 HydrophobicContact CG-CG 4.04Å; L819-L844 HydrophobicContact CB-CD1 4Å; L819-H846 PolarHBondContact N-O 3.41Å; L819-L847 HydrophobicContact CB-CD1 4.16Å; L819-L847 HydrophobicContact CD2-CD1 4.25Å; L819-L847 HydrophobicContact CG-CD1 4.26Å; L819-L847 WeakPolarHBondContact O-CA 3.14Å; L819-C848 PolarHBondContact O-N 3.32Å
820	S	96.8	Very high	94.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.4	171.4	-164.6	0	0	0	0	110.7	L790 L792 S793 C848	L790-S820 PolarHBondContact O-N 3.5Å; L792-S820 PolarHBondContact N-O 3.44Å; S793-S820 WeakPolarHBondContact OG-CB 3.36Å; S793-S820 PolarHBondContact OG-OG 3.36Å; S820-C848 WeakPolarHBondContact OG-CB 3.28Å
821	L	96.9	Very high	94.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.233	C	C	.	.			trans	-125.5	32.1	176.7	-60.1	171.7	0	0	0	110.2	L792 L797 V802 L805 L819 S823 C824 L826 L834 C848 L849 N852	L792-L821 HydrophobicContact CB-CD2 4.25Å; L792-L821 HydrophobicContact CD1-CD2 4.19Å; L797-L821 HydrophobicContact CD1-CD2 4.02Å; V802-L821 HydrophobicContact CG1-CD1 4.29Å; V802-L821 HydrophobicContact CG2-CD1 4.17Å; L805-L821 HydrophobicContact CD1-CD2 4Å; L819-L821 HydrophobicContact CD1-CD2 4.23Å; L819-L821 HydrophobicContact CD1-CG 4.34Å; L819-L821 HydrophobicContact CD2-CD1 4.01Å; L819-L821 HydrophobicContact CD2-CG 4.2Å; L819-L821 HydrophobicContact CG-CD1 4.38Å; L819-L821 HydrophobicContact CG-CD2 4.45Å; L819-L821 HydrophobicContact CG-CG 4.04Å; L821-S823 PolarHBondContact O-N 3.48Å; L821-C824 HydrophobicContact CB-CB 4.31Å; L821-C824 WeakPolarHBondContact O-CB 3.43Å; L821-L826 HydrophobicContact CB-CD1 4.31Å; L821-L834 HydrophobicContact CD1-CD2 4.33Å; L821-C848 PolarHBondContact N-O 2.99Å; L821-L849 HydrophobicContact CB-CD2 4.09Å; L821-L849 HydrophobicContact CD1-CD2 4.13Å; L821-N852 PolarHBondContact O-ND2 3.46Å
822	E	95.2	Very high	94.6	Very high	44 Å²	44	45.6 Å²	45.6	21%	0.206	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	134.9	179.1	164.7	-174.3	166.2	0	0	110.1	S793 T794 C824 A850 D851	S793-E822 CarbonylContact C-O 3.6Å; S793-E822 WeakPolarHBondContact CA-O 3.44Å; S793-E822 VanDerWaalsContact CB-O 3.25Å; S793-E822 WeakPolarHBondContact CB-O 3.21Å; S793-E822 PolarHBondContact OG-N 3.4Å; T794-E822 PolarHBondContact N-O 3.32Å; E822-C824 VanDerWaalsContact C-N 3.3Å; E822-C824 PolarHBondContact O-N 2.94Å; E822-A850 CarbonylContact C-O 3.6Å; E822-A850 WeakPolarHBondContact CA-O 3.3Å; E822-A850 HydrophobicContact CB-CB 4.14Å; E822-A850 HydrophobicContact CG-CB 3.83Å; E822-D851 HydrophobicContact CG-CB 4.34Å
823	S	95.7	Very high	94.8	Very high	53 Å²	53	41.5 Å²	41.5	37%	0.371	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	48.1	180	-158.6	0	0	0	0	113.2	T794 L821 A850 D851	T794-S823 VanDerWaalsContact CA-O 3.3Å; T794-S823 WeakPolarHBondContact CA-O 3.27Å; T794-S823 PolarHBondContact N-O 2.78Å; L821-S823 PolarHBondContact O-N 3.48Å; S823-A850 PolarHBondContact N-O 3.36Å; S823-D851 WeakPolarHBondContact CA-O 3.47Å
824	C	96.6	Very high	95.1	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.007	19%	0.19	C	C	.	.	S	Bend	trans	-99.7	3	-179.7	-80	0	0	0	0	114.5	L792 N795 L797 L798 L821 E822 L826 N852	L792-C824 PolarHBondContact O-SG 3.2Å; N795-C824 CarbonylContact O-C 3.56Å; N795-C824 WeakPolarHBondContact O-CA 3.26Å; L797-C824 HydrophobicContact CB-CB 4.43Å; L797-C824 HydrophobicContact CG-CB 4.41Å; L797-C824 PolarHBondContact N-O 2.93Å; L798-C824 PolarHBondContact N-O 2.83Å; L821-C824 HydrophobicContact CB-CB 4.31Å; L821-C824 WeakPolarHBondContact O-CB 3.43Å; E822-C824 VanDerWaalsContact C-N 3.3Å; E822-C824 PolarHBondContact O-N 2.94Å; C824-L826 HydrophobicContact CB-CD1 3.28Å; C824-N852 PolarHBondContact N-OD1 2.99Å
825	G	95.1	Very high	95.2	Very high	34 Å²	34	35.6 Å²	35.6	35%	0.351	19%	0.192	S	C	.	.			trans	76.6	26.5	-177.7	0	0	0	0	0	113.5	N852	G825-N852 PolarHBondContact N-OD1 2.93Å
826	L	95.8	Very high	95.3	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	20%	0.196	C	C	.	.			trans	-74.1	148	175.7	-73.1	80.6	0	0	0	111	D799 V802 L821 C824 L834 L849 N852 V853 L854	D799-L826 WeakPolarHBondContact OD1-CA 3.34Å; V802-L826 HydrophobicContact CB-CD2 4.3Å; V802-L826 HydrophobicContact CG1-CD2 3.94Å; V802-L826 HydrophobicContact CG2-CD1 3.8Å; V802-L826 HydrophobicContact CG2-CD2 3.82Å; V802-L826 HydrophobicContact CG2-CG 3.76Å; L821-L826 HydrophobicContact CB-CD1 4.31Å; C824-L826 HydrophobicContact CB-CD1 3.28Å; L826-L834 HydrophobicContact CD2-CD1 3.6Å; L826-L849 HydrophobicContact CD2-CD2 4.29Å; L826-N852 HydrophobicContact CB-CB 4.01Å; L826-N852 WeakPolarHBondContact CD1-OD1 3.25Å; L826-N852 PolarHBondContact N-OD1 3Å; L826-V853 PolarHBondContact O-N 3.37Å; L826-V853 VanDerWaalsContact O-N 3.1Å; L826-L854 HydrophobicContact CB-CD2 3.74Å
827	T	95.6	Very high	95.3	Very high	60 Å²	60	35.5 Å²	35.5	37%	0.368	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-120.6	-172.7	172	78.6	0	0	0	0	111.3	D799 A829 G830 V853	D799-T827 PolarHBondContact OD1-N 2.86Å; D799-T827 WeakPolarHBondContact OD2-CB 3.44Å; D799-T827 PolarHBondContact OD2-OG1 3Å; T827-A829 PolarHBondContact O-N 3.48Å; T827-A829 PolarHBondContact OG1-N 3.28Å; T827-G830 PolarHBondContact O-N 3.32Å; T827-V853 WeakPolarHBondContact CA-O 3.34Å
828	E	94.8	Very high	95.2	Very high	104 Å²	104	32.9 Å²	32.9	49%	0.486	18%	0.184	S	C	.	.	H	α-helix	trans	-52.9	-35.9	170.6	-179.8	174	169.8	0	0	112.5	G830 C831	E828-G830 PolarHBondContact O-N 3.03Å; E828-C831 VanDerWaalsContact O-CB 3.27Å; E828-C831 WeakPolarHBondContact O-CB 3.46Å; E828-C831 PolarHBondContact O-N 3.32Å; E828-C831 VanDerWaalsContact O-N 3.11Å
829	A	93.4	Very high	95.1	Very high	59 Å²	59	30.7 Å²	30.7	49%	0.488	18%	0.178	S	C	.	.	H	α-helix	trans	-63	-43.2	-177.2	0	0	0	0	0	112.5	T827 C831 E832	T827-A829 PolarHBondContact O-N 3.48Å; T827-A829 PolarHBondContact OG1-N 3.28Å; A829-C831 PolarHBondContact O-N 3.5Å; A829-C831 VanDerWaalsContact O-N 3.16Å; A829-E832 PolarHBondContact O-N 3.08Å
830	G	93.5	Very high	94.8	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-64.6	-18.3	177	0	0	0	0	0	113.9	D799 T827 E828 E832 L834	D799-G830 VanDerWaalsContact OD1-CA 3.31Å; D799-G830 WeakPolarHBondContact OD1-CA 3.35Å; D799-G830 PolarHBondContact OD1-N 3.44Å; D799-G830 VanDerWaalsContact OD1-N 3.09Å; T827-G830 PolarHBondContact O-N 3.32Å; E828-G830 PolarHBondContact O-N 3.03Å; G830-E832 VanDerWaalsContact C-N 3.31Å; G830-E832 PolarHBondContact O-N 2.92Å; G830-L834 PolarHBondContact O-N 3.32Å
831	C	95.5	Very high	94.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-71	-24.1	178.2	-67	0	0	0	0	113	E828 A829 S835 L861 M862	E828-C831 VanDerWaalsContact O-CB 3.27Å; E828-C831 WeakPolarHBondContact O-CB 3.46Å; E828-C831 PolarHBondContact O-N 3.32Å; E828-C831 VanDerWaalsContact O-N 3.11Å; A829-C831 PolarHBondContact O-N 3.5Å; A829-C831 VanDerWaalsContact O-N 3.16Å; C831-S835 VanDerWaalsContact O-CB 3.3Å; C831-S835 WeakPolarHBondContact O-CB 3.47Å; C831-S835 PolarHBondContact O-N 3Å; C831-S835 PolarHBondContact O-OG 2.95Å; C831-L861 HydrophobicContact CB-CB 4.22Å; C831-L861 HydrophobicContact CB-CD1 3.87Å; C831-M862 HydrophobicContact CB-CE 3.56Å; C831-M862 WeakPolarHBondContact O-CE 3.1Å
832	E	93.9	Very high	94.1	Very high	123 Å²	123	38.7 Å²	38.7	58%	0.575	22%	0.221	S	C	*	.	H	α-helix	trans	-64.4	-53	178.1	-173.7	174.2	-177.7	0	0	110.7	A829 G830 L834 S835 L836 L861	A829-E832 PolarHBondContact O-N 3.08Å; G830-E832 VanDerWaalsContact C-N 3.31Å; G830-E832 PolarHBondContact O-N 2.92Å; E832-L834 PolarHBondContact O-N 3.35Å; E832-S835 WeakPolarHBondContact O-CB 3.2Å; E832-S835 PolarHBondContact O-N 3.45Å; E832-L836 WeakPolarHBondContact O-CG 3.07Å; E832-L836 PolarHBondContact O-N 2.99Å; E832-L836 VanDerWaalsContact O-N 3.14Å; E832-L861 HydrophobicContact CB-CD1 4.37Å
833	D	94.6	Very high	94	Very high	31 Å²	31	41.4 Å²	41.4	17%	0.166	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-39.7	178.1	-77.8	-63.2	0	0	0	112.9	Q803 C806 R810 S835 L836 A837	Q803-D833 WeakPolarHBondContact CG-OD2 3.48Å; C806-D833 HydrophobicContact CB-CB 3.86Å; R810-D833 IonicContact NH2-OD1 3.89Å; D833-S835 VanDerWaalsContact C-N 3.32Å; D833-S835 PolarHBondContact O-N 3.49Å; D833-L836 PolarHBondContact O-N 2.72Å; D833-A837 WeakPolarHBondContact O-CB 3.49Å; D833-A837 PolarHBondContact O-N 3.42Å
834	L	96	Very high	94	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-60.7	-42.1	174.8	-82	168	0	0	0	111.6	V802 C806 L821 L826 G830 E832 L836 A837 L838 L849 M862	V802-L834 HydrophobicContact CG1-CD1 3.96Å; V802-L834 HydrophobicContact CG1-CD2 4.09Å; V802-L834 HydrophobicContact CG1-CG 3.77Å; C806-L834 VanDerWaalsContact SG-CA 3.59Å; C806-L834 VanDerWaalsContact SG-CD2 3.54Å; L821-L834 HydrophobicContact CD1-CD2 4.33Å; L826-L834 HydrophobicContact CD2-CD1 3.6Å; G830-L834 PolarHBondContact O-N 3.32Å; E832-L834 PolarHBondContact O-N 3.35Å; L834-L836 PolarHBondContact O-N 3.31Å; L834-A837 WeakPolarHBondContact O-CB 3.25Å; L834-A837 PolarHBondContact O-N 3.12Å; L834-L838 WeakPolarHBondContact O-CG 3.36Å; L834-L838 PolarHBondContact O-N 3.13Å; L834-L849 HydrophobicContact CD1-CD1 4.15Å; L834-L849 HydrophobicContact CD1-CD2 3.9Å; L834-M862 HydrophobicContact CB-CE 3.59Å
835	S	94.9	Very high	93.9	Very high	9 Å²	9	40 Å²	40	6%	0.063	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-45.4	178.8	-62.3	0	0	0	0	111.2	C831 E832 D833 A837 L838 I839 L861 M862	C831-S835 VanDerWaalsContact O-CB 3.3Å; C831-S835 WeakPolarHBondContact O-CB 3.47Å; C831-S835 PolarHBondContact O-N 3Å; C831-S835 PolarHBondContact O-OG 2.95Å; E832-S835 WeakPolarHBondContact O-CB 3.2Å; E832-S835 PolarHBondContact O-N 3.45Å; D833-S835 VanDerWaalsContact C-N 3.32Å; D833-S835 PolarHBondContact O-N 3.49Å; S835-A837 VanDerWaalsContact C-N 3.31Å; S835-A837 PolarHBondContact O-N 3.16Å; S835-L838 PolarHBondContact O-N 3.25Å; S835-I839 VanDerWaalsContact O-CG1 3.32Å; S835-I839 WeakPolarHBondContact O-CG1 3.35Å; S835-I839 PolarHBondContact O-N 2.78Å; S835-I839 VanDerWaalsContact O-N 3.11Å; S835-L861 WeakPolarHBondContact OG-CB 3.39Å; S835-L861 PolarHBondContact OG-O 3.17Å; S835-L861 VanDerWaalsContact OG-O 3.12Å; S835-M862 WeakPolarHBondContact OG-CE 3.46Å
836	L	93.9	Very high	93.9	Very high	76 Å²	76	39.3 Å²	39.3	40%	0.398	21%	0.206	S	C	.	.	H	α-helix	trans	-63.2	-38.1	175.9	-66.1	173.9	0	0	0	112.2	E832 D833 L834 S840	E832-L836 WeakPolarHBondContact O-CG 3.07Å; E832-L836 PolarHBondContact O-N 2.99Å; E832-L836 VanDerWaalsContact O-N 3.14Å; D833-L836 PolarHBondContact O-N 2.72Å; L834-L836 PolarHBondContact O-N 3.31Å; L836-S840 WeakPolarHBondContact O-CB 3.48Å; L836-S840 PolarHBondContact O-N 3.44Å; L836-S840 VanDerWaalsContact O-N 3.14Å; L836-S840 PolarHBondContact O-OG 2.89Å
837	A	95.2	Very high	93.9	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-64.5	-43.7	174.6	0	0	0	0	0	112	C806 L809 R810 D833 L834 S835 I839 S840 N841	C806-A837 HydrophobicContact CB-CB 3.98Å; L809-A837 HydrophobicContact CB-CB 4.09Å; L809-A837 HydrophobicContact CD1-CB 4.4Å; R810-A837 HydrophobicContact CG-CB 4.15Å; D833-A837 WeakPolarHBondContact O-CB 3.49Å; D833-A837 PolarHBondContact O-N 3.42Å; L834-A837 WeakPolarHBondContact O-CB 3.25Å; L834-A837 PolarHBondContact O-N 3.12Å; S835-A837 VanDerWaalsContact C-N 3.31Å; S835-A837 PolarHBondContact O-N 3.16Å; A837-I839 VanDerWaalsContact C-N 3.32Å; A837-I839 PolarHBondContact O-N 2.88Å; A837-S840 PolarHBondContact O-N 2.94Å; A837-N841 WeakPolarHBondContact O-CB 3.24Å; A837-N841 PolarHBondContact O-N 3.04Å
838	L	93.9	Very high	93.9	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	19%	0.189	C	C	.	.	H	α-helix	trans	-63.1	-35.4	178.2	-73.6	174.5	0	0	0	113.2	L834 S835 L844 L847 M862 A865 L873	L834-L838 WeakPolarHBondContact O-CG 3.36Å; L834-L838 PolarHBondContact O-N 3.13Å; S835-L838 PolarHBondContact O-N 3.25Å; L838-L844 HydrophobicContact CD2-CD2 3.93Å; L838-L847 HydrophobicContact CD1-CD2 4.28Å; L838-L847 HydrophobicContact CD2-CD2 4.31Å; L838-M862 HydrophobicContact CD1-SD 3.83Å; L838-A865 HydrophobicContact CB-CB 4.2Å; L838-A865 HydrophobicContact CD1-CB 4.32Å; L838-L873 HydrophobicContact CD2-CD1 4.09Å; L838-L873 HydrophobicContact CD2-CD2 4.39Å
839	I	91.9	Very high	94	Very high	35 Å²	35	31.5 Å²	31.5	18%	0.179	17%	0.165	C	C	.	.	H	α-helix	trans	-71.2	-41.5	176.5	-63.4	162.9	0	0	0	110.5	S835 A837 K842 A865 H868 Q870	S835-I839 VanDerWaalsContact O-CG1 3.32Å; S835-I839 WeakPolarHBondContact O-CG1 3.35Å; S835-I839 PolarHBondContact O-N 2.78Å; S835-I839 VanDerWaalsContact O-N 3.11Å; A837-I839 VanDerWaalsContact C-N 3.32Å; A837-I839 PolarHBondContact O-N 2.88Å; I839-K842 PolarHBondContact O-NZ 2.97Å; I839-A865 HydrophobicContact CD1-CB 4.44Å; I839-A865 HydrophobicContact CG1-CB 4.18Å; I839-H868 WeakPolarHBondContact CD1-CD2 3.44Å; I839-H868 HydrophobicContact CG1-CB 4.16Å; I839-H868 HydrophobicContact CG2-CB 4.44Å; I839-Q870 PolarHBondContact O-OE1 3.06Å
840	S	91.4	Very high	94	Very high	58 Å²	58	28.9 Å²	28.9	41%	0.406	14%	0.143	S	C	.	.	H	α-helix	trans	-81	-39.4	-173.3	-54.1	0	0	0	0	112.9	L836 A837	L836-S840 WeakPolarHBondContact O-CB 3.48Å; L836-S840 PolarHBondContact O-N 3.44Å; L836-S840 VanDerWaalsContact O-N 3.14Å; L836-S840 PolarHBondContact O-OG 2.89Å; A837-S840 PolarHBondContact O-N 2.94Å
841	N	90.4	Very high	94.1	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.043	16%	0.158	C	C	.	.			trans	-75.2	135.5	-176.2	-172.6	-58.3	0	0	0	111.3	L809 A837 R843 L844	L809-N841 PolarHBondContact O-ND2 2.82Å; A837-N841 WeakPolarHBondContact O-CB 3.24Å; A837-N841 PolarHBondContact O-N 3.04Å; N841-R843 PolarHBondContact OD1-N 2.94Å; N841-L844 PolarHBondContact OD1-N 3.39Å
842	K	89.1	Confident	94.1	Very high	103 Å²	103	31.8 Å²	31.8	45%	0.448	16%	0.159	S	C	.	.	S	Bend	trans	-109	5.8	-176.2	-55.2	-56.9	174.7	-143.5	0	114.7	I839 Q870	I839-K842 PolarHBondContact O-NZ 2.97Å; K842-Q870 PolarHBondContact NZ-O 2.9Å; K842-Q870 VanDerWaalsContact NZ-O 3.16Å
843	R	92.9	Very high	94.1	Very high	101 Å²	101	30.2 Å²	30.2	38%	0.381	16%	0.158	S	C	.	.	S	Bend	trans	-123.1	-29.5	-173.4	-71.5	-175.7	173.4	-94.9	0.9	113.2	C814 E817 N841 T845	C814-R843 WeakPolarHBondContact O-CD 3.46Å; E817-R843 WeakPolarHBondContact CA-O 3.49Å; N841-R843 PolarHBondContact OD1-N 2.94Å; R843-T845 PolarHBondContact O-N 3.3Å
844	L	94.8	Very high	94.2	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.031	15%	0.15	C	C	.	.			trans	-67.2	109.3	-179	-166.6	75.1	0	0	0	109.7	L819 L838 N841 T872	L819-L844 HydrophobicContact CB-CD1 4Å; L838-L844 HydrophobicContact CD2-CD2 3.93Å; N841-L844 PolarHBondContact OD1-N 3.39Å; L844-T872 PolarHBondContact O-OG1 2.89Å; L844-T872 VanDerWaalsContact O-OG1 3.12Å
845	T	94.9	Very high	94.1	Very high	20 Å²	20	29.6 Å²	29.6	12%	0.123	16%	0.158	C	C	.	.			trans	-106.7	-20.6	-177.6	46.9	0	0	0	0	111.8	E817 R843 Q874 S875	E817-T845 PolarHBondContact O-N 2.78Å; E817-T845 PolarHBondContact O-OG1 2.93Å; R843-T845 PolarHBondContact O-N 3.3Å; T845-Q874 HydrophobicContact CG2-CG 4.21Å; T845-Q874 WeakPolarHBondContact O-CA 3.49Å; T845-Q874 PolarHBondContact O-N 3.33Å; T845-S875 PolarHBondContact O-N 3.01Å
846	H	95.3	Very high	94.1	Very high	19 Å²	19	30.7 Å²	30.7	9%	0.088	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	126.3	-175.9	-57	70.9	0	0	0	111.7	E817 R818 L819 S875 C1091 F1092	E817-H846 PolarHBondContact O-N 3.13Å; R818-H846 WeakPolarHBondContact CA-O 3.41Å; R818-H846 HydrophobicContact CB-CB 4.2Å; R818-H846 HydrophobicContact CG-CB 3.94Å; L819-H846 PolarHBondContact N-O 3.41Å; H846-S875 WeakPolarHBondContact CA-O 3.14Å; H846-S875 WeakPolarHBondContact CD2-CB 3.16Å; H846-C1091 PolarHBondContact CD2-O 2.6Å; H846-C1091 PolarHBondContact NE2-O 3.39Å; H846-F1092 HydrophobicContact CB-CD1 3.4Å; H846-F1092 VanDerWaalsContact CB-CD1 3.4Å; H846-F1092 HydrophobicContact CB-CE1 3.59Å; H846-F1092 HydrophobicContact CB-CG 4.13Å; H846-F1092 HydrophobicContact CB-CZ 4.42Å
847	L	96.3	Very high	94.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	126.1	178.9	-177.3	65.3	0	0	0	110.9	L819 L838 L849 L873 S875 L876 V877	L819-L847 HydrophobicContact CB-CD1 4.16Å; L819-L847 HydrophobicContact CD2-CD1 4.25Å; L819-L847 HydrophobicContact CG-CD1 4.26Å; L819-L847 WeakPolarHBondContact O-CA 3.14Å; L838-L847 HydrophobicContact CD1-CD2 4.28Å; L838-L847 HydrophobicContact CD2-CD2 4.31Å; L847-L849 HydrophobicContact CD1-CD2 4.02Å; L847-L849 HydrophobicContact CD1-CG 4.47Å; L847-L849 HydrophobicContact CD2-CD1 4Å; L847-L849 HydrophobicContact CD2-CD2 4.2Å; L847-L849 HydrophobicContact CD2-CG 4.04Å; L847-L849 HydrophobicContact CG-CD1 4.49Å; L847-L849 HydrophobicContact CG-CD2 4.09Å; L847-L849 HydrophobicContact CG-CG 3.99Å; L847-L873 HydrophobicContact CB-CD1 3.86Å; L847-L873 HydrophobicContact CB-CD2 4.42Å; L847-S875 PolarHBondContact N-O 2.82Å; L847-L876 HydrophobicContact CB-CD1 4.29Å; L847-L876 HydrophobicContact CD2-CD1 4.29Å; L847-L876 HydrophobicContact CG-CD1 4.45Å; L847-L876 WeakPolarHBondContact O-CA 3.43Å; L847-V877 PolarHBondContact O-N 3.23Å
848	C	95.8	Very high	94.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.4	169.8	-173.3	0	0	0	0	110.3	L819 S820 L821 V877 W1088 F1092	L819-C848 PolarHBondContact O-N 3.32Å; S820-C848 WeakPolarHBondContact OG-CB 3.28Å; L821-C848 PolarHBondContact N-O 2.99Å; C848-V877 HydrophobicContact CB-CB 4.19Å; C848-W1088 HydrophobicContact CB-CZ3 4.44Å; C848-F1092 HydrophobicContact CB-CE1 3.93Å; C848-F1092 HydrophobicContact CB-CE2 4.34Å; C848-F1092 HydrophobicContact CB-CZ 3.55Å
849	L	96.3	Very high	94.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.151	C	C	.	.			trans	-123.3	18.1	174.7	-55.7	176.2	0	0	0	112	L821 L826 L834 L847 N852 L854 M862 V877 L878 C881	L821-L849 HydrophobicContact CB-CD2 4.09Å; L821-L849 HydrophobicContact CD1-CD2 4.13Å; L826-L849 HydrophobicContact CD2-CD2 4.29Å; L834-L849 HydrophobicContact CD1-CD1 4.15Å; L834-L849 HydrophobicContact CD1-CD2 3.9Å; L847-L849 HydrophobicContact CD1-CD2 4.02Å; L847-L849 HydrophobicContact CD1-CG 4.47Å; L847-L849 HydrophobicContact CD2-CD1 4Å; L847-L849 HydrophobicContact CD2-CD2 4.2Å; L847-L849 HydrophobicContact CD2-CG 4.04Å; L847-L849 HydrophobicContact CG-CD1 4.49Å; L847-L849 HydrophobicContact CG-CD2 4.09Å; L847-L849 HydrophobicContact CG-CG 3.99Å; L849-N852 PolarHBondContact O-ND2 3.18Å; L849-L854 HydrophobicContact CB-CD1 4.05Å; L849-L854 HydrophobicContact CD1-CD1 3.97Å; L849-M862 HydrophobicContact CD1-SD 4.36Å; L849-V877 PolarHBondContact N-O 3.04Å; L849-L878 HydrophobicContact CB-CD2 4.06Å; L849-L878 HydrophobicContact CD1-CD2 3.96Å; L849-L878 HydrophobicContact CG-CD2 4.41Å; L849-C881 PolarHBondContact O-SG 2.93Å
850	A	94.1	Very high	94.3	Very high	3 Å²	3	30.3 Å²	30.3	3%	0.025	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	154.7	-176.8	0	0	0	0	0	113	E822 S823 N852 V877 R879	E822-A850 CarbonylContact C-O 3.6Å; E822-A850 WeakPolarHBondContact CA-O 3.3Å; E822-A850 HydrophobicContact CB-CB 4.14Å; E822-A850 HydrophobicContact CG-CB 3.83Å; S823-A850 PolarHBondContact N-O 3.36Å; A850-N852 PolarHBondContact O-N 2.78Å; A850-N852 VanDerWaalsContact O-N 3.16Å; A850-N852 PolarHBondContact O-ND2 2.97Å; A850-N852 VanDerWaalsContact O-ND2 3.13Å; A850-V877 HydrophobicContact CB-CG1 4.08Å; A850-R879 CarbonylContact C-O 3.33Å; A850-R879 WeakPolarHBondContact CA-O 3.48Å; A850-R879 HydrophobicContact CB-CB 3.94Å; A850-R879 WeakPolarHBondContact CB-O 3.27Å
851	D	94.1	Very high	94.6	Very high	60 Å²	60	30 Å²	30	32%	0.321	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	33.1	174.4	-61.5	-65.6	0	0	0	114.3	E822 S823 R879 H880	E822-D851 HydrophobicContact CG-CB 4.34Å; S823-D851 WeakPolarHBondContact CA-O 3.47Å; D851-R879 PolarHBondContact N-O 3.41Å; D851-H880 WeakPolarHBondContact CA-O 3.26Å; D851-H880 VanDerWaalsContact OD1-CB 3.27Å; D851-H880 WeakPolarHBondContact OD1-CB 3.44Å; D851-H880 IonicContact OD1-CD2 3.98Å; D851-H880 PolarHBondContact OD1-CD2 3.43Å; D851-H880 IonicContact OD1-CG 3.7Å
852	N	95.7	Very high	94.8	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.011	15%	0.154	C	C	.	.			trans	-116.7	151.5	170.9	-69.9	-72.4	0	0	0	111.3	L821 C824 G825 L826 L849 A850 L854 C881	L821-N852 PolarHBondContact O-ND2 3.46Å; C824-N852 PolarHBondContact N-OD1 2.99Å; G825-N852 PolarHBondContact N-OD1 2.93Å; L826-N852 HydrophobicContact CB-CB 4.01Å; L826-N852 WeakPolarHBondContact CD1-OD1 3.25Å; L826-N852 PolarHBondContact N-OD1 3Å; L849-N852 PolarHBondContact O-ND2 3.18Å; A850-N852 PolarHBondContact O-N 2.78Å; A850-N852 VanDerWaalsContact O-N 3.16Å; A850-N852 PolarHBondContact O-ND2 2.97Å; A850-N852 VanDerWaalsContact O-ND2 3.13Å; N852-L854 VanDerWaalsContact C-N 3.29Å; N852-L854 HydrophobicContact CB-CD2 3.73Å; N852-L854 HydrophobicContact CB-CG 4.04Å; N852-L854 PolarHBondContact O-N 2.93Å; N852-C881 WeakPolarHBondContact O-CA 3.48Å
853	V	94.8	Very high	95	Very high	91 Å²	91	24.8 Å²	24.8	55%	0.552	13%	0.132	S	C	*	.	B	Isolated β-bridge	trans	-90.1	63.4	-174.5	-167.3	0	0	0	0	110.9	L826 T827	L826-V853 PolarHBondContact O-N 3.37Å; L826-V853 VanDerWaalsContact O-N 3.1Å; T827-V853 WeakPolarHBondContact CA-O 3.34Å
854	L	95.8	Very high	95	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	13%	0.131	C	C	.	.			trans	-77.6	-35.4	-175	-48.6	-177.3	0	0	0	112.8	L826 L849 N852 G858 L878 C881 F883	L826-L854 HydrophobicContact CB-CD2 3.74Å; L849-L854 HydrophobicContact CB-CD1 4.05Å; L849-L854 HydrophobicContact CD1-CD1 3.97Å; N852-L854 VanDerWaalsContact C-N 3.29Å; N852-L854 HydrophobicContact CB-CD2 3.73Å; N852-L854 HydrophobicContact CB-CG 4.04Å; N852-L854 PolarHBondContact O-N 2.93Å; L854-G858 PolarHBondContact O-N 3.03Å; L854-L878 HydrophobicContact CD1-CD2 4.3Å; L854-C881 HydrophobicContact CD1-CB 4.41Å; L854-C881 HydrophobicContact CG-CB 4.41Å; L854-F883 HydrophobicContact CB-CE1 4.12Å
855	G	94.8	Very high	95	Very high	18 Å²	18	23 Å²	23	19%	0.186	13%	0.13	C	C	.	.	H	α-helix	trans	65.2	-178.6	-178.1	0	0	0	0	0	114.5	G857 G858 V859 C881	G855-G857 VanDerWaalsContact C-N 3.28Å; G855-G857 PolarHBondContact O-N 3.27Å; G855-G858 PolarHBondContact O-N 3.32Å; G855-V859 PolarHBondContact O-N 3.12Å; G855-C881 PolarHBondContact N-O 2.91Å; G855-C881 VanDerWaalsContact N-O 3.09Å
856	D	95.2	Very high	94.9	Very high	32 Å²	32	22 Å²	22	17%	0.171	13%	0.125	C	C	.	.	H	α-helix	trans	-64.8	-30.8	-177.4	-65.4	-39.5	0	0	0	113	V859 K860 T884 L886 S887	D856-V859 PolarHBondContact O-N 2.79Å; D856-K860 PolarHBondContact O-N 3.02Å; D856-T884 PolarHBondContact OD1-N 3.02Å; D856-T884 PolarHBondContact OD1-OG1 2.79Å; D856-T884 PolarHBondContact OD2-OG1 3.42Å; D856-L886 HydrophobicContact CB-CD2 4.19Å; D856-S887 WeakPolarHBondContact CA-OG 3.47Å; D856-S887 WeakPolarHBondContact OD1-CB 3.34Å; D856-S887 PolarHBondContact OD1-N 3.16Å; D856-S887 PolarHBondContact OD1-OG 2.78Å
857	G	95.1	Very high	94.7	Very high	18 Å²	18	24.4 Å²	24.4	19%	0.186	14%	0.136	C	C	.	.	H	α-helix	trans	-65.7	-41.2	175.5	0	0	0	0	0	112.7	G855 V859 K860 L861	G855-G857 VanDerWaalsContact C-N 3.28Å; G855-G857 PolarHBondContact O-N 3.27Å; G857-V859 PolarHBondContact O-N 3.26Å; G857-K860 WeakPolarHBondContact O-CB 3.48Å; G857-K860 PolarHBondContact O-N 2.75Å; G857-L861 PolarHBondContact O-N 3.01Å
858	G	94.9	Very high	94.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.1	-41.6	173.7	0	0	0	0	0	112.7	L854 G855 K860 L861 M862	L854-G858 PolarHBondContact O-N 3.03Å; G855-G858 PolarHBondContact O-N 3.32Å; G858-K860 VanDerWaalsContact C-N 3.32Å; G858-K860 PolarHBondContact O-N 3.44Å; G858-L861 PolarHBondContact O-N 2.95Å; G858-M862 WeakPolarHBondContact O-CG 3.36Å; G858-M862 PolarHBondContact O-N 2.74Å
859	V	93.9	Very high	94	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.4	-38.3	175.5	178.1	0	0	0	0	112.2	G855 D856 G857 M862 S863 F883 S887 L891	G855-V859 PolarHBondContact O-N 3.12Å; D856-V859 PolarHBondContact O-N 2.79Å; G857-V859 PolarHBondContact O-N 3.26Å; V859-M862 PolarHBondContact O-N 3.06Å; V859-S863 WeakPolarHBondContact O-CB 3.23Å; V859-S863 PolarHBondContact O-N 3.2Å; V859-S863 PolarHBondContact O-OG 2.94Å; V859-F883 HydrophobicContact CB-CE1 4.5Å; V859-F883 HydrophobicContact CG2-CD1 3.3Å; V859-F883 HydrophobicContact CG2-CD2 3.65Å; V859-F883 HydrophobicContact CG2-CE1 3.05Å; V859-F883 HydrophobicContact CG2-CE2 3.36Å; V859-F883 HydrophobicContact CG2-CG 3.62Å; V859-F883 HydrophobicContact CG2-CZ 3.07Å; V859-S887 WeakPolarHBondContact CG2-OG 3.42Å; V859-L891 HydrophobicContact CG1-CD1 4.01Å; V859-L891 HydrophobicContact CG1-CD2 4.05Å; V859-L891 HydrophobicContact CG1-CG 3.67Å
860	K	95.9	Very high	93.4	Very high	94 Å²	94	39.4 Å²	39.4	41%	0.409	23%	0.225	S	C	.	.	H	α-helix	trans	-58	-50.3	176.3	-174.9	-175.8	176.5	-176.1	0	110.7	D856 G857 G858 M862 S863 D864 Y890	D856-K860 PolarHBondContact O-N 3.02Å; G857-K860 WeakPolarHBondContact O-CB 3.48Å; G857-K860 PolarHBondContact O-N 2.75Å; G858-K860 VanDerWaalsContact C-N 3.32Å; G858-K860 PolarHBondContact O-N 3.44Å; K860-M862 PolarHBondContact O-N 2.86Å; K860-S863 WeakPolarHBondContact O-CB 3.43Å; K860-S863 PolarHBondContact O-N 2.83Å; K860-S863 VanDerWaalsContact O-N 3.15Å; K860-D864 VanDerWaalsContact O-CG 3.31Å; K860-D864 PolarHBondContact O-N 2.85Å; K860-Y890 HydrophobicContact CB-CD1 4.24Å; K860-Y890 HydrophobicContact CB-CD2 3.74Å; K860-Y890 HydrophobicContact CB-CE1 4.33Å; K860-Y890 HydrophobicContact CB-CE2 3.84Å; K860-Y890 HydrophobicContact CB-CG 3.96Å; K860-Y890 HydrophobicContact CD-CD1 4.36Å; K860-Y890 HydrophobicContact CD-CE1 3.82Å; K860-Y890 HydrophobicContact CD-CE2 4.34Å; K860-Y890 HydrophobicContact CG-CD1 3.83Å; K860-Y890 HydrophobicContact CG-CD2 4.25Å; K860-Y890 HydrophobicContact CG-CE1 3.82Å; K860-Y890 HydrophobicContact CG-CE2 4.23Å; K860-Y890 HydrophobicContact CG-CG 4.06Å
861	L	95.9	Very high	93.3	Very high	52 Å²	52	39.8 Å²	39.8	27%	0.272	23%	0.227	S	C	.	.	H	α-helix	trans	-59.5	-46.5	177.7	-66.7	170.4	0	0	0	111.7	C831 E832 S835 G857 G858 S863 D864 A865	C831-L861 HydrophobicContact CB-CB 4.22Å; C831-L861 HydrophobicContact CB-CD1 3.87Å; E832-L861 HydrophobicContact CB-CD1 4.37Å; S835-L861 WeakPolarHBondContact OG-CB 3.39Å; S835-L861 PolarHBondContact OG-O 3.17Å; S835-L861 VanDerWaalsContact OG-O 3.12Å; G857-L861 PolarHBondContact O-N 3.01Å; G858-L861 PolarHBondContact O-N 2.95Å; L861-S863 VanDerWaalsContact C-N 3.32Å; L861-S863 PolarHBondContact O-N 3.34Å; L861-D864 PolarHBondContact O-N 3.32Å; L861-A865 PolarHBondContact O-N 3.42Å
862	M	94.7	Very high	93.2	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-40.4	175.2	-68.6	-58.4	118.7	0	0	112.4	C831 L834 S835 L838 L849 G858 V859 K860 D864 A865 L866	C831-M862 HydrophobicContact CB-CE 3.56Å; C831-M862 WeakPolarHBondContact O-CE 3.1Å; L834-M862 HydrophobicContact CB-CE 3.59Å; S835-M862 WeakPolarHBondContact OG-CE 3.46Å; L838-M862 HydrophobicContact CD1-SD 3.83Å; L849-M862 HydrophobicContact CD1-SD 4.36Å; G858-M862 WeakPolarHBondContact O-CG 3.36Å; G858-M862 PolarHBondContact O-N 2.74Å; V859-M862 PolarHBondContact O-N 3.06Å; K860-M862 PolarHBondContact O-N 2.86Å; M862-D864 VanDerWaalsContact C-N 3.34Å; M862-A865 WeakPolarHBondContact O-CB 3.48Å; M862-A865 PolarHBondContact O-N 3.5Å; M862-L866 VanDerWaalsContact O-CG 3.29Å; M862-L866 WeakPolarHBondContact O-CG 3.39Å; M862-L866 PolarHBondContact O-N 2.96Å
863	S	93.8	Very high	93.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-38.3	178.6	-64.9	0	0	0	0	111.6	V859 K860 L861 L866 Q867 S894	V859-S863 WeakPolarHBondContact O-CB 3.23Å; V859-S863 PolarHBondContact O-N 3.2Å; V859-S863 PolarHBondContact O-OG 2.94Å; K860-S863 WeakPolarHBondContact O-CB 3.43Å; K860-S863 PolarHBondContact O-N 2.83Å; K860-S863 VanDerWaalsContact O-N 3.15Å; L861-S863 VanDerWaalsContact C-N 3.32Å; L861-S863 PolarHBondContact O-N 3.34Å; S863-L866 PolarHBondContact O-N 3.21Å; S863-Q867 WeakPolarHBondContact O-CG 3.3Å; S863-Q867 PolarHBondContact O-N 3.18Å; S863-Q867 VanDerWaalsContact O-N 3.14Å; S863-Q867 PolarHBondContact O-NE2 3Å; S863-S894 WeakPolarHBondContact O-CB 3.2Å
864	D	93.2	Very high	93.1	Very high	67 Å²	67	38.5 Å²	38.5	36%	0.358	22%	0.216	S	C	.	.	H	α-helix	trans	-63.6	-43.8	173.6	-67.3	-19.2	0	0	0	110.2	K860 L861 M862 L866 Q867 H868	K860-D864 VanDerWaalsContact O-CG 3.31Å; K860-D864 PolarHBondContact O-N 2.85Å; L861-D864 PolarHBondContact O-N 3.32Å; M862-D864 VanDerWaalsContact C-N 3.34Å; D864-L866 PolarHBondContact O-N 2.98Å; D864-Q867 WeakPolarHBondContact O-CB 3.49Å; D864-Q867 PolarHBondContact O-N 3.38Å; D864-H868 PolarHBondContact O-CD2 2.76Å
865	A	94.1	Very high	93	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-59.6	-43.1	173.9	0	0	0	0	0	113	L838 I839 L861 M862 Q867 H868	L838-A865 HydrophobicContact CB-CB 4.2Å; L838-A865 HydrophobicContact CD1-CB 4.32Å; I839-A865 HydrophobicContact CD1-CB 4.44Å; I839-A865 HydrophobicContact CG1-CB 4.18Å; L861-A865 PolarHBondContact O-N 3.42Å; M862-A865 WeakPolarHBondContact O-CB 3.48Å; M862-A865 PolarHBondContact O-N 3.5Å; A865-Q867 VanDerWaalsContact C-N 3.28Å; A865-Q867 PolarHBondContact O-N 2.9Å; A865-H868 WeakPolarHBondContact O-CB 3.46Å; A865-H868 PolarHBondContact O-N 2.99Å
866	L	93.3	Very high	93	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-65.3	-27.6	178.9	-72.8	172.4	0	0	0	113.2	M862 S863 D864 H868 L873 L876 N898	M862-L866 VanDerWaalsContact O-CG 3.29Å; M862-L866 WeakPolarHBondContact O-CG 3.39Å; M862-L866 PolarHBondContact O-N 2.96Å; S863-L866 PolarHBondContact O-N 3.21Å; D864-L866 PolarHBondContact O-N 2.98Å; L866-H868 VanDerWaalsContact C-N 3.29Å; L866-L873 HydrophobicContact CD2-CB 4.49Å; L866-L873 HydrophobicContact CD2-CD2 4.17Å; L866-L876 HydrophobicContact CD1-CD2 3.88Å; L866-N898 PolarHBondContact O-ND2 3.24Å
867	Q	90.9	Very high	93	Very high	68 Å²	68	36.5 Å²	36.5	32%	0.318	20%	0.201	S	C	.	.	H	α-helix	trans	-70.5	-25.7	176.4	-75.6	172.5	55.2	0	0	112.9	S863 D864 A865 A869 S894	S863-Q867 WeakPolarHBondContact O-CG 3.3Å; S863-Q867 PolarHBondContact O-N 3.18Å; S863-Q867 VanDerWaalsContact O-N 3.14Å; S863-Q867 PolarHBondContact O-NE2 3Å; D864-Q867 WeakPolarHBondContact O-CB 3.49Å; D864-Q867 PolarHBondContact O-N 3.38Å; A865-Q867 VanDerWaalsContact C-N 3.28Å; A865-Q867 PolarHBondContact O-N 2.9Å; Q867-A869 PolarHBondContact O-N 3.43Å; Q867-S894 VanDerWaalsContact CG-CA 3.43Å
868	H	90.8	Very high	93	Very high	92 Å²	92	35.6 Å²	35.6	43%	0.426	19%	0.192	S	C	.	.	S	Bend	trans	-66.6	128.2	-178.9	-75.6	-78.5	0	0	0	110.9	I839 D864 A865 L866 Q870 C871	I839-H868 WeakPolarHBondContact CD1-CD2 3.44Å; I839-H868 HydrophobicContact CG1-CB 4.16Å; I839-H868 HydrophobicContact CG2-CB 4.44Å; D864-H868 PolarHBondContact O-CD2 2.76Å; A865-H868 WeakPolarHBondContact O-CB 3.46Å; A865-H868 PolarHBondContact O-N 2.99Å; L866-H868 VanDerWaalsContact C-N 3.29Å; H868-Q870 PolarHBondContact O-N 2.6Å; H868-C871 WeakPolarHBondContact O-CB 3.23Å; H868-C871 PolarHBondContact O-N 3.19Å
869	A	86.4	Confident	92.9	Very high	112 Å²	112	37.9 Å²	37.9	93%	0.926	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-13.2	178.1	0	0	0	0	0	114.5	Q867	Q867-A869 PolarHBondContact O-N 3.43Å
870	Q	85.1	Confident	92.8	Very high	113 Å²	113	41.7 Å²	41.7	53%	0.528	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-9.9	-178	-91.5	-165	24.9	0	0	114	I839 K842 H868	I839-Q870 PolarHBondContact O-OE1 3.06Å; K842-Q870 PolarHBondContact NZ-O 2.9Å; K842-Q870 VanDerWaalsContact NZ-O 3.16Å; H868-Q870 PolarHBondContact O-N 2.6Å
871	C	90.5	Very high	92.8	Very high	11 Å²	11	37.2 Å²	37.2	7%	0.074	20%	0.199	C	C	.	.			trans	-68.8	131.5	175.4	-173	0	0	0	0	109.8	H868	H868-C871 WeakPolarHBondContact O-CB 3.23Å; H868-C871 PolarHBondContact O-N 3.19Å
872	T	92.3	Very high	92.5	Very high	38 Å²	38	39.4 Å²	39.4	23%	0.233	21%	0.207	C	C	.	.			trans	-107.8	4.5	-177.9	57	0	0	0	0	113.4	L844 Q874	L844-T872 PolarHBondContact O-OG1 2.89Å; L844-T872 VanDerWaalsContact O-OG1 3.12Å; T872-Q874 PolarHBondContact O-N 3.41Å
873	L	94.1	Very high	92.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.			trans	-66.6	127	-172.5	-157.8	73.3	0	0	0	111.4	L838 L847 L866 L876 S900 L901	L838-L873 HydrophobicContact CD2-CD1 4.09Å; L838-L873 HydrophobicContact CD2-CD2 4.39Å; L847-L873 HydrophobicContact CB-CD1 3.86Å; L847-L873 HydrophobicContact CB-CD2 4.42Å; L866-L873 HydrophobicContact CD2-CB 4.49Å; L866-L873 HydrophobicContact CD2-CD2 4.17Å; L873-L876 HydrophobicContact CD2-CB 3.78Å; L873-L876 HydrophobicContact CD2-CD1 3.98Å; L873-L876 HydrophobicContact CD2-CD2 4.24Å; L873-L876 HydrophobicContact CD2-CG 4.2Å; L873-S900 CarbonylContact O-C 3.44Å; L873-S900 VanDerWaalsContact O-C 3.26Å; L873-S900 WeakPolarHBondContact O-CB 3.15Å; L873-S900 PolarHBondContact O-OG 2.89Å; L873-L901 HydrophobicContact CD2-CD1 4.43Å; L873-L901 HydrophobicContact CG-CD1 4.42Å; L873-L901 WeakPolarHBondContact O-CA 3.48Å; L873-L901 PolarHBondContact O-N 3.13Å
874	Q	94.7	Very high	92.3	Very high	87 Å²	87	41.8 Å²	41.8	41%	0.407	22%	0.222	S	C	.	.			trans	-105.3	-27.8	179.8	-64.2	178	7.2	0	0	112.1	T845 T872 S900 T902 H903	T845-Q874 HydrophobicContact CG2-CG 4.21Å; T845-Q874 WeakPolarHBondContact O-CA 3.49Å; T845-Q874 PolarHBondContact O-N 3.33Å; T872-Q874 PolarHBondContact O-N 3.41Å; Q874-S900 WeakPolarHBondContact CA-O 3.13Å; Q874-T902 PolarHBondContact O-N 3.16Å; Q874-T902 PolarHBondContact O-OG1 2.99Å; Q874-T902 VanDerWaalsContact O-OG1 3.14Å; Q874-H903 PolarHBondContact O-N 3.5Å
875	S	93.9	Very high	92.2	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.007	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	126.2	-177.8	179.6	0	0	0	0	110.3	T845 H846 L847 H903 C1091	T845-S875 PolarHBondContact O-N 3.01Å; H846-S875 WeakPolarHBondContact CA-O 3.14Å; H846-S875 WeakPolarHBondContact CD2-CB 3.16Å; L847-S875 PolarHBondContact N-O 2.82Å; S875-H903 WeakPolarHBondContact CA-O 3.25Å; S875-H903 PolarHBondContact OG-ND1 3.47Å; S875-C1091 PolarHBondContact OG-O 2.71Å
876	L	95.3	Very high	92.1	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	121.8	176.9	-178.5	55.5	0	0	0	109.8	L847 L866 L873 L878 L901 H903 L904 D905	L847-L876 HydrophobicContact CB-CD1 4.29Å; L847-L876 HydrophobicContact CD2-CD1 4.29Å; L847-L876 HydrophobicContact CG-CD1 4.45Å; L847-L876 WeakPolarHBondContact O-CA 3.43Å; L866-L876 HydrophobicContact CD1-CD2 3.88Å; L873-L876 HydrophobicContact CD2-CB 3.78Å; L873-L876 HydrophobicContact CD2-CD1 3.98Å; L873-L876 HydrophobicContact CD2-CD2 4.24Å; L873-L876 HydrophobicContact CD2-CG 4.2Å; L876-L878 HydrophobicContact CD1-CD2 3.92Å; L876-L878 HydrophobicContact CD1-CG 4.11Å; L876-L878 HydrophobicContact CD2-CD1 3.88Å; L876-L878 HydrophobicContact CD2-CG 4.25Å; L876-L878 HydrophobicContact CG-CD1 4.05Å; L876-L878 HydrophobicContact CG-CD2 4.22Å; L876-L878 HydrophobicContact CG-CG 3.87Å; L876-L901 HydrophobicContact CB-CD1 3.91Å; L876-H903 PolarHBondContact N-O 2.84Å; L876-H903 VanDerWaalsContact N-O 3.1Å; L876-L904 HydrophobicContact CB-CD1 4.28Å; L876-L904 HydrophobicContact CG-CD1 4.45Å; L876-L904 WeakPolarHBondContact O-CA 3.47Å; L876-D905 PolarHBondContact O-N 3.22Å
877	V	94.5	Very high	92.1	Very high	8 Å²	8	43.6 Å²	43.6	5%	0.048	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.2	176.9	178.6	0	0	0	0	109.5	L847 C848 L849 A850 R879 D905 F1092	L847-V877 PolarHBondContact O-N 3.23Å; C848-V877 HydrophobicContact CB-CB 4.19Å; L849-V877 PolarHBondContact N-O 3.04Å; A850-V877 HydrophobicContact CB-CG1 4.08Å; V877-R879 HydrophobicContact CG1-CB 4.32Å; V877-D905 HydrophobicContact CB-CB 4.27Å; V877-D905 HydrophobicContact CG1-CB 3.99Å; V877-D905 HydrophobicContact CG2-CB 4.05Å; V877-F1092 HydrophobicContact CB-CZ 4.46Å; V877-F1092 HydrophobicContact CG2-CE2 3.63Å; V877-F1092 HydrophobicContact CG2-CZ 3.85Å
878	L	94.7	Very high	92.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.			trans	-129.5	35.9	-179	-56.6	170.3	0	0	0	111.3	L849 L854 L876 C881 F883 D905 L906 N909	L849-L878 HydrophobicContact CB-CD2 4.06Å; L849-L878 HydrophobicContact CD1-CD2 3.96Å; L849-L878 HydrophobicContact CG-CD2 4.41Å; L854-L878 HydrophobicContact CD1-CD2 4.3Å; L876-L878 HydrophobicContact CD1-CD2 3.92Å; L876-L878 HydrophobicContact CD1-CG 4.11Å; L876-L878 HydrophobicContact CD2-CD1 3.88Å; L876-L878 HydrophobicContact CD2-CG 4.25Å; L876-L878 HydrophobicContact CG-CD1 4.05Å; L876-L878 HydrophobicContact CG-CD2 4.22Å; L876-L878 HydrophobicContact CG-CG 3.87Å; L878-C881 PolarHBondContact O-SG 3.25Å; L878-C881 VanDerWaalsContact O-SG 3.42Å; L878-F883 HydrophobicContact CB-CD2 4.49Å; L878-F883 HydrophobicContact CB-CE2 3.36Å; L878-F883 HydrophobicContact CB-CZ 3.74Å; L878-F883 HydrophobicContact CD1-CE2 3.66Å; L878-F883 HydrophobicContact CD1-CZ 4.01Å; L878-F883 HydrophobicContact CD2-CZ 4.25Å; L878-F883 HydrophobicContact CG-CE2 4.03Å; L878-F883 HydrophobicContact CG-CZ 4.21Å; L878-D905 CarbonylContact C-O 3.44Å; L878-D905 PolarHBondContact N-O 3.32Å; L878-L906 HydrophobicContact CB-CD2 4.39Å; L878-L906 HydrophobicContact CD1-CD2 4.26Å; L878-N909 PolarHBondContact O-ND2 3.35Å
879	R	92.8	Very high	92.3	Very high	47 Å²	47	41 Å²	41	18%	0.177	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	137.4	179.7	-178.6	-174.4	-61.3	-162.5	-2.9	110.8	A850 D851 V877 C881 D905 G907 H1081	A850-R879 CarbonylContact C-O 3.33Å; A850-R879 WeakPolarHBondContact CA-O 3.48Å; A850-R879 HydrophobicContact CB-CB 3.94Å; A850-R879 WeakPolarHBondContact CB-O 3.27Å; D851-R879 PolarHBondContact N-O 3.41Å; V877-R879 HydrophobicContact CG1-CB 4.32Å; R879-C881 VanDerWaalsContact C-N 3.35Å; R879-C881 PolarHBondContact O-N 2.61Å; R879-C881 PolarHBondContact O-SG 3.48Å; R879-D905 IonicContact CZ-OD2 3.42Å; R879-D905 IonicContact NE-OD1 3.5Å; R879-D905 IonicContact NE-OD2 3.06Å; R879-D905 PolarHBondContact NE-OD2 3.41Å; R879-D905 VanDerWaalsContact NE-OD2 3.15Å; R879-D905 IonicContact NH2-OD2 2.75Å; R879-D905 PolarHBondContact NH2-OD2 3.23Å; R879-G907 CarbonylContact C-O 3.59Å; R879-G907 WeakPolarHBondContact CA-O 3.49Å; R879-G907 VanDerWaalsContact CG-O 3.29Å; R879-G907 WeakPolarHBondContact CG-O 3.29Å; R879-H1081 PolarHBondContact NH1-CE1 3.38Å; R879-H1081 PolarHBondContact NH1-NE2 3.11Å; R879-H1081 PolarHBondContact NH2-CE1 3.39Å; R879-H1081 VanDerWaalsContact NH2-CE1 3.32Å; R879-H1081 PolarHBondContact NH2-NE2 3.4Å
880	H	93.1	Very high	92.6	Very high	81 Å²	81	38.7 Å²	38.7	38%	0.375	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	48.6	175.8	-161.9	59.1	0	0	0	113.4	D851 G907 S908	D851-H880 WeakPolarHBondContact CA-O 3.26Å; D851-H880 VanDerWaalsContact OD1-CB 3.27Å; D851-H880 WeakPolarHBondContact OD1-CB 3.44Å; D851-H880 IonicContact OD1-CD2 3.98Å; D851-H880 PolarHBondContact OD1-CD2 3.43Å; D851-H880 IonicContact OD1-CG 3.7Å; H880-G907 PolarHBondContact N-O 3.1Å; H880-S908 PolarHBondContact ND1-O 3.46Å
881	C	94.2	Very high	93	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-106.6	14.8	-177.7	-69.8	0	0	0	0	114.4	L849 N852 L854 G855 L878 R879 F883 N909	L849-C881 PolarHBondContact O-SG 2.93Å; N852-C881 WeakPolarHBondContact O-CA 3.48Å; L854-C881 HydrophobicContact CD1-CB 4.41Å; L854-C881 HydrophobicContact CG-CB 4.41Å; G855-C881 PolarHBondContact N-O 2.91Å; G855-C881 VanDerWaalsContact N-O 3.09Å; L878-C881 PolarHBondContact O-SG 3.25Å; L878-C881 VanDerWaalsContact O-SG 3.42Å; R879-C881 VanDerWaalsContact C-N 3.35Å; R879-C881 PolarHBondContact O-N 2.61Å; R879-C881 PolarHBondContact O-SG 3.48Å; C881-F883 HydrophobicContact CB-CD1 3.87Å; C881-F883 HydrophobicContact CB-CD2 4.4Å; C881-F883 HydrophobicContact CB-CE1 3.17Å; C881-F883 HydrophobicContact CB-CE2 3.85Å; C881-F883 HydrophobicContact CB-CG 4.42Å; C881-F883 HydrophobicContact CB-CZ 3.16Å; C881-F883 VanDerWaalsContact O-CD1 3.27Å; C881-F883 WeakPolarHBondContact O-CD1 3.4Å; C881-F883 VanDerWaalsContact O-CE1 3.25Å; C881-F883 WeakPolarHBondContact O-CE1 3.18Å; C881-N909 PolarHBondContact N-OD1 2.85Å
882	H	90.8	Very high	93	Very high	97 Å²	97	33.5 Å²	33.5	45%	0.449	17%	0.167	S	C	.	.			trans	62.7	38.7	-178.5	-64.1	-90.6	0	0	0	114.7	N909	H882-N909 PolarHBondContact N-OD1 2.6Å
883	F	91.1	Very high	92.8	Very high	1 Å²	1	35 Å²	35	0%	0.004	18%	0.176	C	C	.	.			trans	-84.6	145	177.8	-53.5	-19.7	0	0	0	112.1	L854 V859 L878 C881 N909 W910	L854-F883 HydrophobicContact CB-CE1 4.12Å; V859-F883 HydrophobicContact CB-CE1 4.5Å; V859-F883 HydrophobicContact CG2-CD1 3.3Å; V859-F883 HydrophobicContact CG2-CD2 3.65Å; V859-F883 HydrophobicContact CG2-CE1 3.05Å; V859-F883 HydrophobicContact CG2-CE2 3.36Å; V859-F883 HydrophobicContact CG2-CG 3.62Å; V859-F883 HydrophobicContact CG2-CZ 3.07Å; L878-F883 HydrophobicContact CB-CD2 4.49Å; L878-F883 HydrophobicContact CB-CE2 3.36Å; L878-F883 HydrophobicContact CB-CZ 3.74Å; L878-F883 HydrophobicContact CD1-CE2 3.66Å; L878-F883 HydrophobicContact CD1-CZ 4.01Å; L878-F883 HydrophobicContact CD2-CZ 4.25Å; L878-F883 HydrophobicContact CG-CE2 4.03Å; L878-F883 HydrophobicContact CG-CZ 4.21Å; C881-F883 HydrophobicContact CB-CD1 3.87Å; C881-F883 HydrophobicContact CB-CD2 4.4Å; C881-F883 HydrophobicContact CB-CE1 3.17Å; C881-F883 HydrophobicContact CB-CE2 3.85Å; C881-F883 HydrophobicContact CB-CG 4.42Å; C881-F883 HydrophobicContact CB-CZ 3.16Å; C881-F883 VanDerWaalsContact O-CD1 3.27Å; C881-F883 WeakPolarHBondContact O-CD1 3.4Å; C881-F883 VanDerWaalsContact O-CE1 3.25Å; C881-F883 WeakPolarHBondContact O-CE1 3.18Å; F883-N909 HydrophobicContact CB-CB 4Å; F883-N909 PolarHBondContact N-OD1 3.35Å; F883-N909 VanDerWaalsContact N-OD1 3.11Å; F883-W910 CarbonylContact O-C 3.57Å; F883-W910 WeakPolarHBondContact O-CA 3.2Å; F883-W910 WeakPolarHBondContact O-CB 3.4Å; F883-W910 PolarHBondContact O-N 2.68Å
884	T	92.2	Very high	92.6	Very high	51 Å²	51	35 Å²	35	31%	0.313	18%	0.176	S	C	.	.	B	Isolated β-bridge	trans	-110.7	-177.2	174	79.5	0	0	0	0	111.1	D856 L886 S887 W910	D856-T884 PolarHBondContact OD1-N 3.02Å; D856-T884 PolarHBondContact OD1-OG1 2.79Å; D856-T884 PolarHBondContact OD2-OG1 3.42Å; T884-L886 PolarHBondContact O-N 2.89Å; T884-L886 VanDerWaalsContact O-N 3.15Å; T884-L886 PolarHBondContact OG1-N 3.13Å; T884-S887 WeakPolarHBondContact O-CB 3.49Å; T884-S887 PolarHBondContact O-N 2.8Å; T884-S887 VanDerWaalsContact O-N 3.14Å; T884-W910 CarbonylContact C-O 3.31Å; T884-W910 WeakPolarHBondContact CA-O 3.38Å
885	S	91	Very high	92.4	Very high	44 Å²	44	31.2 Å²	31.2	31%	0.308	16%	0.158	S	C	.	.	H	α-helix	trans	-54	-27.5	171.3	61.7	0	0	0	0	114.1	S887 S888 W910 L911	S885-S887 VanDerWaalsContact C-N 3.34Å; S885-S887 PolarHBondContact O-N 2.96Å; S885-S888 WeakPolarHBondContact O-CB 3.21Å; S885-S888 PolarHBondContact O-N 3.29Å; S885-S888 PolarHBondContact O-OG 3.05Å; S885-W910 PolarHBondContact N-O 2.86Å; S885-L911 WeakPolarHBondContact CB-O 3.27Å
886	L	93	Very high	92	Very high	64 Å²	64	34 Å²	34	34%	0.335	17%	0.173	S	C	.	.	H	α-helix	trans	-63.1	-38.5	177.4	179.4	63.1	0	0	0	112.2	D856 T884 S888 E889 Y890	D856-L886 HydrophobicContact CB-CD2 4.19Å; T884-L886 PolarHBondContact O-N 2.89Å; T884-L886 VanDerWaalsContact O-N 3.15Å; T884-L886 PolarHBondContact OG1-N 3.13Å; L886-S888 PolarHBondContact O-N 3.48Å; L886-S888 VanDerWaalsContact O-N 3.14Å; L886-E889 WeakPolarHBondContact O-CB 3.21Å; L886-E889 PolarHBondContact O-N 2.95Å; L886-Y890 HydrophobicContact CD1-CE2 4.4Å; L886-Y890 HydrophobicContact CD2-CE2 4.31Å; L886-Y890 HydrophobicContact CG-CE2 3.9Å
887	S	93.2	Very high	91.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.4	-29.1	174	-78.7	0	0	0	0	113.2	D856 V859 T884 S885 E889 Y890 L891	D856-S887 WeakPolarHBondContact CA-OG 3.47Å; D856-S887 WeakPolarHBondContact OD1-CB 3.34Å; D856-S887 PolarHBondContact OD1-N 3.16Å; D856-S887 PolarHBondContact OD1-OG 2.78Å; V859-S887 WeakPolarHBondContact CG2-OG 3.42Å; T884-S887 WeakPolarHBondContact O-CB 3.49Å; T884-S887 PolarHBondContact O-N 2.8Å; T884-S887 VanDerWaalsContact O-N 3.14Å; S885-S887 VanDerWaalsContact C-N 3.34Å; S885-S887 PolarHBondContact O-N 2.96Å; S887-E889 VanDerWaalsContact C-N 3.29Å; S887-E889 PolarHBondContact O-N 2.99Å; S887-Y890 PolarHBondContact O-N 2.64Å; S887-L891 WeakPolarHBondContact O-CG 3.24Å; S887-L891 PolarHBondContact O-N 3.37Å
888	S	93.6	Very high	91.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.1	-29.7	178.5	-57.2	0	0	0	0	112.1	S885 L886 S892 G915	S885-S888 WeakPolarHBondContact O-CB 3.21Å; S885-S888 PolarHBondContact O-N 3.29Å; S885-S888 PolarHBondContact O-OG 3.05Å; L886-S888 PolarHBondContact O-N 3.48Å; L886-S888 VanDerWaalsContact O-N 3.14Å; S888-S892 WeakPolarHBondContact O-CB 3.17Å; S888-S892 PolarHBondContact O-N 3.42Å; S888-S892 PolarHBondContact O-OG 3.38Å; S888-G915 WeakPolarHBondContact CB-O 3.41Å; S888-G915 VanDerWaalsContact OG-CA 3.26Å; S888-G915 WeakPolarHBondContact OG-CA 3.17Å; S888-G915 PolarHBondContact OG-O 3.33Å
889	E	91.1	Very high	90.9	Very high	105 Å²	105	45 Å²	45	49%	0.491	22%	0.222	S	C	.	.	H	α-helix	trans	-67.2	-45.2	175.5	-64.8	-178.5	-168.2	0	0	111.5	L886 S887 S892 T893 L918	L886-E889 WeakPolarHBondContact O-CB 3.21Å; L886-E889 PolarHBondContact O-N 2.95Å; S887-E889 VanDerWaalsContact C-N 3.29Å; S887-E889 PolarHBondContact O-N 2.99Å; E889-S892 PolarHBondContact O-N 3.07Å; E889-T893 PolarHBondContact O-N 3.42Å; E889-T893 PolarHBondContact O-OG1 3.43Å; E889-T893 VanDerWaalsContact O-OG1 3.05Å; E889-L918 HydrophobicContact CG-CD1 3.56Å
890	Y	94.1	Very high	90.9	Very high	64 Å²	64	44.1 Å²	44.1	25%	0.251	22%	0.223	S	C	.	.	H	α-helix	trans	-65.1	-46.4	177.7	-57.7	-49.2	0	0	0	111.8	K860 L886 S887 T893 S894	K860-Y890 HydrophobicContact CB-CD1 4.24Å; K860-Y890 HydrophobicContact CB-CD2 3.74Å; K860-Y890 HydrophobicContact CB-CE1 4.33Å; K860-Y890 HydrophobicContact CB-CE2 3.84Å; K860-Y890 HydrophobicContact CB-CG 3.96Å; K860-Y890 HydrophobicContact CD-CD1 4.36Å; K860-Y890 HydrophobicContact CD-CE1 3.82Å; K860-Y890 HydrophobicContact CD-CE2 4.34Å; K860-Y890 HydrophobicContact CG-CD1 3.83Å; K860-Y890 HydrophobicContact CG-CD2 4.25Å; K860-Y890 HydrophobicContact CG-CE1 3.82Å; K860-Y890 HydrophobicContact CG-CE2 4.23Å; K860-Y890 HydrophobicContact CG-CG 4.06Å; L886-Y890 HydrophobicContact CD1-CE2 4.4Å; L886-Y890 HydrophobicContact CD2-CE2 4.31Å; L886-Y890 HydrophobicContact CG-CE2 3.9Å; S887-Y890 PolarHBondContact O-N 2.64Å; Y890-T893 PolarHBondContact O-N 3.14Å; Y890-S894 PolarHBondContact O-N 2.9Å; Y890-S894 VanDerWaalsContact O-N 3.16Å; Y890-S894 PolarHBondContact O-OG 3.11Å
891	L	93.5	Very high	90.9	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-39.8	177.7	-74	170.2	0	0	0	112.1	V859 S887 T893 S894 L895 L906 L919	V859-L891 HydrophobicContact CG1-CD1 4.01Å; V859-L891 HydrophobicContact CG1-CD2 4.05Å; V859-L891 HydrophobicContact CG1-CG 3.67Å; S887-L891 WeakPolarHBondContact O-CG 3.24Å; S887-L891 PolarHBondContact O-N 3.37Å; L891-T893 VanDerWaalsContact C-N 3.31Å; L891-T893 PolarHBondContact O-N 2.7Å; L891-S894 WeakPolarHBondContact CA-OG 3.4Å; L891-S894 PolarHBondContact O-N 2.86Å; L891-S894 PolarHBondContact O-OG 3.03Å; L891-L895 HydrophobicContact CB-CD1 4.23Å; L891-L895 WeakPolarHBondContact O-CB 3.45Å; L891-L895 WeakPolarHBondContact O-CD1 3.45Å; L891-L895 WeakPolarHBondContact O-CG 3.16Å; L891-L895 PolarHBondContact O-N 3.21Å; L891-L906 HydrophobicContact CD1-CD1 4.09Å; L891-L906 HydrophobicContact CD1-CD2 3.88Å; L891-L919 HydrophobicContact CB-CD2 3.96Å
892	S	90.9	Very high	90.8	Very high	13 Å²	13	42.3 Å²	42.3	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-58.8	-45.3	178	-66.6	0	0	0	0	111.5	S888 E889 S894 L918 V922	S888-S892 WeakPolarHBondContact O-CB 3.17Å; S888-S892 PolarHBondContact O-N 3.42Å; S888-S892 PolarHBondContact O-OG 3.38Å; E889-S892 PolarHBondContact O-N 3.07Å; S892-S894 VanDerWaalsContact C-N 3.32Å; S892-S894 PolarHBondContact O-N 3.14Å; S892-L918 PolarHBondContact OG-O 3.14Å; S892-V922 WeakPolarHBondContact O-CG2 3.21Å
893	T	86.6	Confident	91	Very high	70 Å²	70	38.4 Å²	38.4	43%	0.429	20%	0.2	S	C	.	.	H	α-helix	trans	-63.2	-39.9	178.1	-53.8	0	0	0	0	111.5	E889 Y890 L891 H897	E889-T893 PolarHBondContact O-N 3.42Å; E889-T893 PolarHBondContact O-OG1 3.43Å; E889-T893 VanDerWaalsContact O-OG1 3.05Å; Y890-T893 PolarHBondContact O-N 3.14Å; L891-T893 VanDerWaalsContact C-N 3.31Å; L891-T893 PolarHBondContact O-N 2.7Å; T893-H897 PolarHBondContact O-ND1 2.82Å
894	S	91	Very high	91.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-74.6	-41.7	-177.2	66.7	0	0	0	0	114.2	S863 Q867 Y890 L891 S892 L896 H897 N898	S863-S894 WeakPolarHBondContact O-CB 3.2Å; Q867-S894 VanDerWaalsContact CG-CA 3.43Å; Y890-S894 PolarHBondContact O-N 2.9Å; Y890-S894 VanDerWaalsContact O-N 3.16Å; Y890-S894 PolarHBondContact O-OG 3.11Å; L891-S894 WeakPolarHBondContact CA-OG 3.4Å; L891-S894 PolarHBondContact O-N 2.86Å; L891-S894 PolarHBondContact O-OG 3.03Å; S892-S894 VanDerWaalsContact C-N 3.32Å; S892-S894 PolarHBondContact O-N 3.14Å; S894-L896 VanDerWaalsContact C-N 3.29Å; S894-L896 PolarHBondContact O-N 3.42Å; S894-H897 PolarHBondContact O-N 3.37Å; S894-H897 VanDerWaalsContact O-N 3.12Å; S894-N898 WeakPolarHBondContact O-CB 3.11Å; S894-N898 PolarHBondContact O-N 3.06Å
895	L	90.2	Very high	91.2	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.037	19%	0.186	C	C	.	.	H	α-helix	trans	-68.2	-23.8	-176.7	-69.4	166.2	0	0	0	113.7	L891 L901 L904 L919 V922 F923	L891-L895 HydrophobicContact CB-CD1 4.23Å; L891-L895 WeakPolarHBondContact O-CB 3.45Å; L891-L895 WeakPolarHBondContact O-CD1 3.45Å; L891-L895 WeakPolarHBondContact O-CG 3.16Å; L891-L895 PolarHBondContact O-N 3.21Å; L895-L901 HydrophobicContact CD2-CD2 3.68Å; L895-L904 HydrophobicContact CD1-CD2 4.04Å; L895-L904 HydrophobicContact CD2-CD2 4.36Å; L895-L919 HydrophobicContact CD1-CD2 4.33Å; L895-V922 HydrophobicContact CB-CG1 3.81Å; L895-F923 HydrophobicContact CD1-CE1 3.86Å; L895-F923 HydrophobicContact CD1-CZ 4.28Å
896	L	85.8	Confident	91.4	Very high	61 Å²	61	34.1 Å²	34.1	32%	0.319	17%	0.171	S	C	.	.	H	α-helix	trans	-66.2	-38.4	171.8	-74.9	170.4	0	0	0	112.3	S894 K899 V922 H925	S894-L896 VanDerWaalsContact C-N 3.29Å; S894-L896 PolarHBondContact O-N 3.42Å; L896-K899 PolarHBondContact O-NZ 2.67Å; L896-V922 HydrophobicContact CD1-CG2 4.11Å; L896-V922 HydrophobicContact CD2-CB 4.34Å; L896-V922 HydrophobicContact CD2-CG1 3.79Å; L896-V922 HydrophobicContact CD2-CG2 4.21Å; L896-V922 HydrophobicContact CG-CB 4.35Å; L896-V922 HydrophobicContact CG-CG1 3.72Å; L896-V922 HydrophobicContact CG-CG2 3.89Å; L896-H925 HydrophobicContact CD2-CB 4.06Å
897	H	85.8	Confident	91.4	Very high	115 Å²	115	31 Å²	31	53%	0.532	16%	0.155	S	C	.	.	H	α-helix	trans	-90.5	-33.1	-174.9	-63.2	95	0	0	0	112.4	T893 S894	T893-H897 PolarHBondContact O-ND1 2.82Å; S894-H897 PolarHBondContact O-N 3.37Å; S894-H897 VanDerWaalsContact O-N 3.12Å
898	N	88.6	Confident	91.4	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.053	17%	0.171	C	C	.	.			trans	-63.2	140.7	178.8	-172.3	-80.3	0	0	0	111.5	L866 S894 S900 L901	L866-N898 PolarHBondContact O-ND2 3.24Å; S894-N898 WeakPolarHBondContact O-CB 3.11Å; S894-N898 PolarHBondContact O-N 3.06Å; N898-S900 PolarHBondContact ND2-OG 3.48Å; N898-S900 PolarHBondContact OD1-N 2.87Å; N898-S900 PolarHBondContact OD1-OG 3.1Å; N898-L901 VanDerWaalsContact OD1-CB 3.23Å; N898-L901 WeakPolarHBondContact OD1-CB 3.49Å; N898-L901 PolarHBondContact OD1-N 3.15Å
899	K	86.6	Confident	91.4	Very high	114 Å²	114	33.4 Å²	33.4	50%	0.496	17%	0.172	S	C	.	.	S	Bend	trans	-122.3	-6.5	179.5	-56.8	-62.1	163.8	-139.1	0	113.8	L896 S927 N929	L896-K899 PolarHBondContact O-NZ 2.67Å; K899-S927 PolarHBondContact NZ-O 3.29Å; K899-N929 WeakPolarHBondContact CA-ND2 3.36Å; K899-N929 PolarHBondContact O-ND2 2.86Å
900	S	91.6	Very high	91.5	Very high	28 Å²	28	36.3 Å²	36.3	20%	0.196	18%	0.178	C	C	.	.	S	Bend	trans	-99.3	-32.6	-174.8	59.7	0	0	0	0	113.1	L873 Q874 N898 T902	L873-S900 CarbonylContact O-C 3.44Å; L873-S900 VanDerWaalsContact O-C 3.26Å; L873-S900 WeakPolarHBondContact O-CB 3.15Å; L873-S900 PolarHBondContact O-OG 2.89Å; Q874-S900 WeakPolarHBondContact CA-O 3.13Å; N898-S900 PolarHBondContact ND2-OG 3.48Å; N898-S900 PolarHBondContact OD1-N 2.87Å; N898-S900 PolarHBondContact OD1-OG 3.1Å; S900-T902 PolarHBondContact O-N 3.43Å
901	L	93.4	Very high	91.5	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	17%	0.166	C	C	.	.			trans	-73.1	124.8	-170.7	-161.3	75.8	0	0	0	110.9	L873 L876 L895 N898 L904 N929	L873-L901 HydrophobicContact CD2-CD1 4.43Å; L873-L901 HydrophobicContact CG-CD1 4.42Å; L873-L901 WeakPolarHBondContact O-CA 3.48Å; L873-L901 PolarHBondContact O-N 3.13Å; L876-L901 HydrophobicContact CB-CD1 3.91Å; L895-L901 HydrophobicContact CD2-CD2 3.68Å; N898-L901 VanDerWaalsContact OD1-CB 3.23Å; N898-L901 WeakPolarHBondContact OD1-CB 3.49Å; N898-L901 PolarHBondContact OD1-N 3.15Å; L901-L904 HydrophobicContact CD2-CB 4.27Å; L901-L904 HydrophobicContact CD2-CD1 4.4Å; L901-N929 CarbonylContact O-C 3.26Å
902	T	93.5	Very high	91.6	Very high	39 Å²	39	37.8 Å²	37.8	24%	0.239	19%	0.187	C	C	.	.			trans	-121.9	-20.4	-179.1	59.7	0	0	0	0	112.7	Q874 S900 Q931 D932	Q874-T902 PolarHBondContact O-N 3.16Å; Q874-T902 PolarHBondContact O-OG1 2.99Å; Q874-T902 VanDerWaalsContact O-OG1 3.14Å; S900-T902 PolarHBondContact O-N 3.43Å; T902-Q931 WeakPolarHBondContact O-CA 3.47Å; T902-Q931 PolarHBondContact O-N 3.01Å; T902-D932 PolarHBondContact O-N 3.04Å
903	H	94.3	Very high	91.8	Very high	15 Å²	15	38.8 Å²	38.8	7%	0.069	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.3	176	171.5	-125.2	0	0	0	110.8	Q874 S875 L876 D932	Q874-H903 PolarHBondContact O-N 3.5Å; S875-H903 WeakPolarHBondContact CA-O 3.25Å; S875-H903 PolarHBondContact OG-ND1 3.47Å; L876-H903 PolarHBondContact N-O 2.84Å; L876-H903 VanDerWaalsContact N-O 3.1Å; H903-D932 WeakPolarHBondContact CA-O 3.42Å; H903-D932 HydrophobicContact CB-CB 4.27Å
904	L	94.4	Very high	92	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	120.4	177.9	179.9	61.2	0	0	0	109.6	L876 L895 L901 L906 L930 D932 L933 E934	L876-L904 HydrophobicContact CB-CD1 4.28Å; L876-L904 HydrophobicContact CG-CD1 4.45Å; L876-L904 WeakPolarHBondContact O-CA 3.47Å; L895-L904 HydrophobicContact CD1-CD2 4.04Å; L895-L904 HydrophobicContact CD2-CD2 4.36Å; L901-L904 HydrophobicContact CD2-CB 4.27Å; L901-L904 HydrophobicContact CD2-CD1 4.4Å; L904-L906 HydrophobicContact CD1-CD2 3.91Å; L904-L906 HydrophobicContact CD1-CG 4.25Å; L904-L906 HydrophobicContact CD2-CD1 4.03Å; L904-L906 HydrophobicContact CD2-CD2 4.41Å; L904-L906 HydrophobicContact CD2-CG 4.18Å; L904-L906 HydrophobicContact CG-CD1 4.33Å; L904-L906 HydrophobicContact CG-CD2 4.15Å; L904-L906 HydrophobicContact CG-CG 3.94Å; L904-L930 HydrophobicContact CB-CD1 3.67Å; L904-L930 HydrophobicContact CB-CD2 4.22Å; L904-D932 PolarHBondContact N-O 2.9Å; L904-L933 WeakPolarHBondContact O-CA 3.48Å; L904-E934 PolarHBondContact O-N 2.94Å
905	D	93.8	Very high	92.2	Very high	6 Å²	6	41 Å²	41	3%	0.032	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.5	173.1	-178	-10.9	0	0	0	109.9	L876 V877 L878 R879 G907 E934	L876-D905 PolarHBondContact O-N 3.22Å; V877-D905 HydrophobicContact CB-CB 4.27Å; V877-D905 HydrophobicContact CG1-CB 3.99Å; V877-D905 HydrophobicContact CG2-CB 4.05Å; L878-D905 CarbonylContact C-O 3.44Å; L878-D905 PolarHBondContact N-O 3.32Å; R879-D905 IonicContact CZ-OD2 3.42Å; R879-D905 IonicContact NE-OD1 3.5Å; R879-D905 IonicContact NE-OD2 3.06Å; R879-D905 PolarHBondContact NE-OD2 3.41Å; R879-D905 VanDerWaalsContact NE-OD2 3.15Å; R879-D905 IonicContact NH2-OD2 2.75Å; R879-D905 PolarHBondContact NH2-OD2 3.23Å; D905-G907 PolarHBondContact OD1-N 3.16Å; D905-E934 HydrophobicContact CB-CB 3.83Å; D905-E934 HydrophobicContact CB-CG 4.17Å
906	L	94.7	Very high	92.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.199	C	C	.	.			trans	-115.2	14.7	177.2	-58.6	174.8	0	0	0	111.8	L878 L891 L904 N909 L911 L919 E934 L935 C938	L878-L906 HydrophobicContact CB-CD2 4.39Å; L878-L906 HydrophobicContact CD1-CD2 4.26Å; L891-L906 HydrophobicContact CD1-CD1 4.09Å; L891-L906 HydrophobicContact CD1-CD2 3.88Å; L904-L906 HydrophobicContact CD1-CD2 3.91Å; L904-L906 HydrophobicContact CD1-CG 4.25Å; L904-L906 HydrophobicContact CD2-CD1 4.03Å; L904-L906 HydrophobicContact CD2-CD2 4.41Å; L904-L906 HydrophobicContact CD2-CG 4.18Å; L904-L906 HydrophobicContact CG-CD1 4.33Å; L904-L906 HydrophobicContact CG-CD2 4.15Å; L904-L906 HydrophobicContact CG-CG 3.94Å; L906-N909 WeakPolarHBondContact O-CB 3.42Å; L906-N909 PolarHBondContact O-ND2 3.46Å; L906-L911 HydrophobicContact CB-CD1 4.01Å; L906-L911 HydrophobicContact CD1-CD1 3.97Å; L906-L919 HydrophobicContact CD1-CD1 3.9Å; L906-E934 PolarHBondContact N-O 2.88Å; L906-L935 HydrophobicContact CB-CD2 4.2Å; L906-L935 HydrophobicContact CD1-CD2 4.34Å; L906-C938 PolarHBondContact O-SG 2.89Å
907	G	93.3	Very high	92.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	156.5	-173.9	0	0	0	0	0	113.8	R879 H880 D905 N909 M936	R879-G907 CarbonylContact C-O 3.59Å; R879-G907 WeakPolarHBondContact CA-O 3.49Å; R879-G907 VanDerWaalsContact CG-O 3.29Å; R879-G907 WeakPolarHBondContact CG-O 3.29Å; H880-G907 PolarHBondContact N-O 3.1Å; D905-G907 PolarHBondContact OD1-N 3.16Å; G907-N909 PolarHBondContact O-N 3.31Å; G907-N909 VanDerWaalsContact O-N 3.08Å; G907-N909 PolarHBondContact O-ND2 3.35Å; G907-M936 CarbonylContact C-O 3.44Å; G907-M936 WeakPolarHBondContact CA-O 3.49Å
908	S	92.3	Very high	93.1	Very high	48 Å²	48	40.3 Å²	40.3	34%	0.336	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	26.6	175.9	-57.5	0	0	0	0	114.4	H880 M936 G937	H880-S908 PolarHBondContact ND1-O 3.46Å; S908-M936 PolarHBondContact N-O 3.4Å; S908-G937 WeakPolarHBondContact CA-O 2.99Å
909	N	94.8	Very high	93.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	19%	0.193	C	C	.	.	S	Bend	trans	-106.6	167.2	171.5	-73.2	-63.9	0	0	0	111.5	L878 C881 H882 F883 L906 G907 L911 C938	L878-N909 PolarHBondContact O-ND2 3.35Å; C881-N909 PolarHBondContact N-OD1 2.85Å; H882-N909 PolarHBondContact N-OD1 2.6Å; F883-N909 HydrophobicContact CB-CB 4Å; F883-N909 PolarHBondContact N-OD1 3.35Å; F883-N909 VanDerWaalsContact N-OD1 3.11Å; L906-N909 WeakPolarHBondContact O-CB 3.42Å; L906-N909 PolarHBondContact O-ND2 3.46Å; G907-N909 PolarHBondContact O-N 3.31Å; G907-N909 VanDerWaalsContact O-N 3.08Å; G907-N909 PolarHBondContact O-ND2 3.35Å; N909-L911 HydrophobicContact CB-CG 4.38Å; N909-L911 PolarHBondContact O-N 3.04Å; N909-C938 CarbonylContact O-C 3.54Å; N909-C938 WeakPolarHBondContact O-CA 3.3Å
910	W	93.4	Very high	93.7	Very high	167 Å²	167	34.4 Å²	34.4	63%	0.633	17%	0.17	S	C	*	.	B	Isolated β-bridge	trans	-99.4	54.2	-176.2	-62.5	-4.1	0	0	0	112	F883 T884 S885	F883-W910 CarbonylContact O-C 3.57Å; F883-W910 WeakPolarHBondContact O-CA 3.2Å; F883-W910 WeakPolarHBondContact O-CB 3.4Å; F883-W910 PolarHBondContact O-N 2.68Å; T884-W910 CarbonylContact C-O 3.31Å; T884-W910 WeakPolarHBondContact CA-O 3.38Å; S885-W910 PolarHBondContact N-O 2.86Å
911	L	93.3	Very high	93.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.			trans	-65.5	-39.1	-179.2	-60.4	-179.5	0	0	0	112.2	S885 L906 N909 G915 L919 L935 C938	S885-L911 WeakPolarHBondContact CB-O 3.27Å; L906-L911 HydrophobicContact CB-CD1 4.01Å; L906-L911 HydrophobicContact CD1-CD1 3.97Å; N909-L911 HydrophobicContact CB-CG 4.38Å; N909-L911 PolarHBondContact O-N 3.04Å; L911-G915 WeakPolarHBondContact O-CA 3.47Å; L911-G915 PolarHBondContact O-N 3.15Å; L911-L919 HydrophobicContact CD1-CD1 4.2Å; L911-L935 HydrophobicContact CD1-CD2 3.79Å; L911-C938 HydrophobicContact CB-CB 4.42Å; L911-C938 HydrophobicContact CD1-CB 4.27Å; L911-C938 HydrophobicContact CG-CB 4.47Å
912	Q	94.6	Very high	93.5	Very high	95 Å²	95	36.8 Å²	36.8	44%	0.444	18%	0.181	S	C	.	.	H	α-helix	trans	57.3	175.6	-174.7	-53.1	175.8	13.1	0	0	112.9	N914 G915 M916 C938	Q912-N914 VanDerWaalsContact C-N 3.29Å; Q912-N914 PolarHBondContact O-N 3.41Å; Q912-G915 PolarHBondContact O-N 3.32Å; Q912-M916 PolarHBondContact O-N 2.92Å; Q912-C938 PolarHBondContact N-O 2.94Å
913	D	95.4	Very high	93.4	Very high	35 Å²	35	35.1 Å²	35.1	19%	0.187	17%	0.17	C	C	.	.	H	α-helix	trans	-63.5	-33.8	-176.4	-60.9	-44	0	0	0	112.9	M916 K917 T941 A943 C944	D913-M916 PolarHBondContact O-N 3Å; D913-K917 WeakPolarHBondContact O-CB 3.49Å; D913-K917 PolarHBondContact O-N 3.16Å; D913-T941 PolarHBondContact OD1-N 3.03Å; D913-T941 PolarHBondContact OD2-OG1 2.95Å; D913-A943 HydrophobicContact CB-CB 4.44Å; D913-C944 HydrophobicContact CB-CB 4.16Å; D913-C944 WeakPolarHBondContact OD1-CB 3.34Å; D913-C944 PolarHBondContact OD1-SG 3.16Å
914	N	92.3	Very high	93.1	Very high	115 Å²	115	38.9 Å²	38.9	62%	0.615	18%	0.184	S	C	*	.	H	α-helix	trans	-66.8	-43.4	178.2	-72.2	-27.8	0	0	0	112.5	Q912 M916 K917 L918	Q912-N914 VanDerWaalsContact C-N 3.29Å; Q912-N914 PolarHBondContact O-N 3.41Å; N914-M916 VanDerWaalsContact C-N 3.35Å; N914-K917 PolarHBondContact O-N 3.33Å; N914-L918 PolarHBondContact O-N 3.38Å
915	G	93.6	Very high	92.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-41.8	175.1	0	0	0	0	0	111.3	S888 L911 Q912 K917 L918 L919	S888-G915 WeakPolarHBondContact CB-O 3.41Å; S888-G915 VanDerWaalsContact OG-CA 3.26Å; S888-G915 WeakPolarHBondContact OG-CA 3.17Å; S888-G915 PolarHBondContact OG-O 3.33Å; L911-G915 WeakPolarHBondContact O-CA 3.47Å; L911-G915 PolarHBondContact O-N 3.15Å; Q912-G915 PolarHBondContact O-N 3.32Å; G915-K917 VanDerWaalsContact C-N 3.31Å; G915-K917 PolarHBondContact O-N 3.39Å; G915-L918 PolarHBondContact O-N 3.49Å; G915-L919 PolarHBondContact O-N 3.41Å
916	M	94.8	Very high	92.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-39.8	176.7	-168.9	62.7	-126	0	0	112.5	Q912 D913 N914 L918 L919 C920 F923 L935 L940 C944 L948	Q912-M916 PolarHBondContact O-N 2.92Å; D913-M916 PolarHBondContact O-N 3Å; N914-M916 VanDerWaalsContact C-N 3.35Å; M916-L918 VanDerWaalsContact C-N 3.35Å; M916-L918 PolarHBondContact O-N 3.03Å; M916-L919 HydrophobicContact CE-CB 4.18Å; M916-L919 PolarHBondContact O-N 3.05Å; M916-C920 WeakPolarHBondContact CE-SG 3.01Å; M916-C920 WeakPolarHBondContact O-CB 3.41Å; M916-C920 PolarHBondContact O-N 2.98Å; M916-C920 PolarHBondContact O-SG 3.38Å; M916-C920 VanDerWaalsContact O-SG 3.36Å; M916-F923 HydrophobicContact CE-CD2 4.15Å; M916-F923 HydrophobicContact CE-CE2 4.02Å; M916-L935 HydrophobicContact CE-CD1 3.88Å; M916-L935 HydrophobicContact SD-CD1 3.49Å; M916-L935 WeakPolarHBondContact SD-CD1 3.48Å; M916-L935 HydrophobicContact SD-CD2 4.2Å; M916-L935 HydrophobicContact SD-CG 4.49Å; M916-L940 HydrophobicContact CB-CD2 3.77Å; M916-L940 HydrophobicContact CG-CD1 4.41Å; M916-L940 HydrophobicContact CG-CD2 4.15Å; M916-L940 HydrophobicContact SD-CD1 4.3Å; M916-C944 HydrophobicContact CB-CB 4.22Å; M916-C944 HydrophobicContact CG-CB 4.09Å; M916-L948 HydrophobicContact CE-CD2 3.63Å; M916-L948 HydrophobicContact CE-CG 4.45Å; M916-L948 HydrophobicContact CG-CD2 4.47Å; M916-L948 HydrophobicContact CG-CG 4.41Å; M916-L948 HydrophobicContact SD-CD2 4.26Å
917	K	94.3	Very high	91.8	Very high	108 Å²	108	49.2 Å²	49.2	47%	0.47	24%	0.244	S	C	.	.	H	α-helix	trans	-57.9	-45.9	176.4	-176.6	176.1	179.4	178.9	0	112.3	D913 N914 G915 L919 C920 D921	D913-K917 WeakPolarHBondContact O-CB 3.49Å; D913-K917 PolarHBondContact O-N 3.16Å; N914-K917 PolarHBondContact O-N 3.33Å; G915-K917 VanDerWaalsContact C-N 3.31Å; G915-K917 PolarHBondContact O-N 3.39Å; K917-L919 VanDerWaalsContact C-N 3.34Å; K917-L919 PolarHBondContact O-N 2.73Å; K917-C920 WeakPolarHBondContact O-CB 3.32Å; K917-C920 PolarHBondContact O-N 3.39Å; K917-D921 PolarHBondContact O-N 3.21Å; K917-D921 VanDerWaalsContact O-N 3.15Å
918	L	93	Very high	91.5	Very high	61 Å²	61	49.3 Å²	49.3	32%	0.319	25%	0.245	S	C	.	.	H	α-helix	trans	-59.7	-45.1	176.8	-66.5	169.9	0	0	0	111.7	E889 S892 N914 G915 M916 C920 D921	E889-L918 HydrophobicContact CG-CD1 3.56Å; S892-L918 PolarHBondContact OG-O 3.14Å; N914-L918 PolarHBondContact O-N 3.38Å; G915-L918 PolarHBondContact O-N 3.49Å; M916-L918 VanDerWaalsContact C-N 3.35Å; M916-L918 PolarHBondContact O-N 3.03Å; L918-C920 PolarHBondContact O-N 2.92Å; L918-D921 WeakPolarHBondContact O-CB 3.26Å; L918-D921 PolarHBondContact O-N 3.24Å
919	L	94.1	Very high	91.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-39.5	177.7	-66.7	174.9	0	0	0	112	L891 L895 L906 L911 G915 M916 K917 D921 V922 F923	L891-L919 HydrophobicContact CB-CD2 3.96Å; L895-L919 HydrophobicContact CD1-CD2 4.33Å; L906-L919 HydrophobicContact CD1-CD1 3.9Å; L911-L919 HydrophobicContact CD1-CD1 4.2Å; G915-L919 PolarHBondContact O-N 3.41Å; M916-L919 HydrophobicContact CE-CB 4.18Å; M916-L919 PolarHBondContact O-N 3.05Å; K917-L919 VanDerWaalsContact C-N 3.34Å; K917-L919 PolarHBondContact O-N 2.73Å; L919-D921 VanDerWaalsContact C-N 3.3Å; L919-D921 PolarHBondContact O-N 3.23Å; L919-V922 PolarHBondContact O-N 3.43Å; L919-V922 VanDerWaalsContact O-N 3.11Å; L919-F923 HydrophobicContact CB-CD2 4.12Å; L919-F923 HydrophobicContact CB-CE2 3.56Å; L919-F923 HydrophobicContact CB-CZ 4.04Å; L919-F923 HydrophobicContact CD2-CZ 4.4Å; L919-F923 HydrophobicContact CG-CE2 4.49Å; L919-F923 WeakPolarHBondContact O-CD2 3.46Å; L919-F923 VanDerWaalsContact O-CG 3.22Å; L919-F923 WeakPolarHBondContact O-CG 3.33Å; L919-F923 PolarHBondContact O-N 3.27Å
920	C	94.2	Very high	91.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-35.6	175.7	-79	0	0	0	0	113	M916 K917 L918 V922 F923 R924 D947 V951	M916-C920 WeakPolarHBondContact CE-SG 3.01Å; M916-C920 WeakPolarHBondContact O-CB 3.41Å; M916-C920 PolarHBondContact O-N 2.98Å; M916-C920 PolarHBondContact O-SG 3.38Å; M916-C920 VanDerWaalsContact O-SG 3.36Å; K917-C920 WeakPolarHBondContact O-CB 3.32Å; K917-C920 PolarHBondContact O-N 3.39Å; L918-C920 PolarHBondContact O-N 2.92Å; C920-V922 PolarHBondContact O-N 2.75Å; C920-F923 PolarHBondContact O-N 2.7Å; C920-R924 VanDerWaalsContact O-CG 3.29Å; C920-R924 WeakPolarHBondContact O-CG 3.37Å; C920-R924 PolarHBondContact O-N 3.2Å; C920-R924 PolarHBondContact O-NE 3.23Å; C920-D947 HydrophobicContact CB-CB 3.82Å; C920-V951 HydrophobicContact CB-CG2 3.85Å
921	D	89.5	Confident	91.1	Very high	76 Å²	76	44.7 Å²	44.7	41%	0.406	23%	0.227	S	C	.	.	H	α-helix	trans	-58.4	-38.7	175.2	-67.1	-3.4	0	0	0	111.2	K917 L918 L919 R924	K917-D921 PolarHBondContact O-N 3.21Å; K917-D921 VanDerWaalsContact O-N 3.15Å; L918-D921 WeakPolarHBondContact O-CB 3.26Å; L918-D921 PolarHBondContact O-N 3.24Å; L919-D921 VanDerWaalsContact C-N 3.3Å; L919-D921 PolarHBondContact O-N 3.23Å; D921-R924 IonicContact OD1-CZ 3.63Å; D921-R924 IonicContact OD1-NH2 2.92Å; D921-R924 PolarHBondContact OD1-NH2 3.26Å
922	V	90.2	Very high	91	Very high	7 Å²	7	46 Å²	46	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-80.1	-43	179.7	175.7	0	0	0	0	112.1	S892 L895 L896 L919 C920 R924 H925	S892-V922 WeakPolarHBondContact O-CG2 3.21Å; L895-V922 HydrophobicContact CB-CG1 3.81Å; L896-V922 HydrophobicContact CD1-CG2 4.11Å; L896-V922 HydrophobicContact CD2-CB 4.34Å; L896-V922 HydrophobicContact CD2-CG1 3.79Å; L896-V922 HydrophobicContact CD2-CG2 4.21Å; L896-V922 HydrophobicContact CG-CB 4.35Å; L896-V922 HydrophobicContact CG-CG1 3.72Å; L896-V922 HydrophobicContact CG-CG2 3.89Å; L919-V922 PolarHBondContact O-N 3.43Å; L919-V922 VanDerWaalsContact O-N 3.11Å; C920-V922 PolarHBondContact O-N 2.75Å; V922-R924 PolarHBondContact O-N 3.25Å; V922-H925 VanDerWaalsContact O-CB 3.22Å; V922-H925 WeakPolarHBondContact O-CB 3.22Å; V922-H925 PolarHBondContact O-N 3.01Å
923	F	91	Very high	91	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.013	21%	0.213	C	C	.	.	H	α-helix	trans	-65.7	-24.5	179	-60.5	-35	0	0	0	112.8	L895 M916 L919 C920 H925 L930 L933 V951 N955	L895-F923 HydrophobicContact CD1-CE1 3.86Å; L895-F923 HydrophobicContact CD1-CZ 4.28Å; M916-F923 HydrophobicContact CE-CD2 4.15Å; M916-F923 HydrophobicContact CE-CE2 4.02Å; L919-F923 HydrophobicContact CB-CD2 4.12Å; L919-F923 HydrophobicContact CB-CE2 3.56Å; L919-F923 HydrophobicContact CB-CZ 4.04Å; L919-F923 HydrophobicContact CD2-CZ 4.4Å; L919-F923 HydrophobicContact CG-CE2 4.49Å; L919-F923 WeakPolarHBondContact O-CD2 3.46Å; L919-F923 VanDerWaalsContact O-CG 3.22Å; L919-F923 WeakPolarHBondContact O-CG 3.33Å; L919-F923 PolarHBondContact O-N 3.27Å; C920-F923 PolarHBondContact O-N 2.7Å; F923-H925 PolarHBondContact O-N 3.14Å; F923-L930 HydrophobicContact CD1-CD2 4.25Å; F923-L930 HydrophobicContact CE1-CD2 3.66Å; F923-L930 HydrophobicContact CZ-CD2 4.06Å; F923-L933 HydrophobicContact CD2-CD2 3.83Å; F923-L933 HydrophobicContact CE2-CD1 4.25Å; F923-L933 HydrophobicContact CE2-CD2 3.36Å; F923-L933 HydrophobicContact CE2-CG 4.47Å; F923-L933 HydrophobicContact CZ-CD1 4.04Å; F923-L933 HydrophobicContact CZ-CD2 3.88Å; F923-V951 HydrophobicContact CB-CG1 3.71Å; F923-V951 HydrophobicContact CB-CG2 3.9Å; F923-N955 WeakPolarHBondContact O-CB 3.25Å; F923-N955 PolarHBondContact O-ND2 3.48Å
924	R	89.1	Confident	90.9	Very high	94 Å²	94	41 Å²	41	36%	0.355	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-22.6	170.4	-78.3	-176.5	-80	171.9	-0.7	113.5	C920 D921 V922 S950 V951	C920-R924 VanDerWaalsContact O-CG 3.29Å; C920-R924 WeakPolarHBondContact O-CG 3.37Å; C920-R924 PolarHBondContact O-N 3.2Å; C920-R924 PolarHBondContact O-NE 3.23Å; D921-R924 IonicContact OD1-CZ 3.63Å; D921-R924 IonicContact OD1-NH2 2.92Å; D921-R924 PolarHBondContact OD1-NH2 3.26Å; V922-R924 PolarHBondContact O-N 3.25Å; R924-S950 VanDerWaalsContact CD-OG 3.23Å; R924-S950 WeakPolarHBondContact CD-OG 3.46Å; R924-V951 HydrophobicContact CG-CG2 4Å
925	H	87.5	Confident	91	Very high	94 Å²	94	35.5 Å²	35.5	44%	0.435	18%	0.179	S	C	.	.	S	Bend	trans	-71.5	130.9	-173.7	-159.8	-90.3	0	0	0	110.5	L896 V922 F923 S927 C928	L896-H925 HydrophobicContact CD2-CB 4.06Å; V922-H925 VanDerWaalsContact O-CB 3.22Å; V922-H925 WeakPolarHBondContact O-CB 3.22Å; V922-H925 PolarHBondContact O-N 3.01Å; F923-H925 PolarHBondContact O-N 3.14Å; H925-S927 PolarHBondContact CE1-OG 3.39Å; H925-S927 WeakPolarHBondContact ND1-CB 3.32Å; H925-S927 PolarHBondContact ND1-N 2.67Å; H925-S927 PolarHBondContact ND1-OG 3.37Å; H925-S927 PolarHBondContact O-N 3.38Å; H925-C928 WeakPolarHBondContact O-CB 3.39Å; H925-C928 PolarHBondContact O-N 3.12Å
926	P	84	Confident	90.9	Very high	93 Å²	93	36.8 Å²	36.8	60%	0.604	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.3	-176.9	-25.9	34.3	0	0	0	115	C928	P926-C928 VanDerWaalsContact C-N 3.32Å
927	S	83.1	Confident	90.8	Very high	37 Å²	37	37.7 Å²	37.7	26%	0.259	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-3.1	178.2	73.9	0	0	0	0	114.4	K899 H925	K899-S927 PolarHBondContact NZ-O 3.29Å; H925-S927 PolarHBondContact CE1-OG 3.39Å; H925-S927 WeakPolarHBondContact ND1-CB 3.32Å; H925-S927 PolarHBondContact ND1-N 2.67Å; H925-S927 PolarHBondContact ND1-OG 3.37Å; H925-S927 PolarHBondContact O-N 3.38Å
928	C	87.3	Confident	90.8	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.014	17%	0.173	C	C	.	.			trans	-76.9	119.8	175.7	-176.5	0	0	0	0	109.4	H925 P926 L930 N957	H925-C928 WeakPolarHBondContact O-CB 3.39Å; H925-C928 PolarHBondContact O-N 3.12Å; P926-C928 VanDerWaalsContact C-N 3.32Å; C928-L930 VanDerWaalsContact C-N 3.34Å; C928-N957 PolarHBondContact O-ND2 2.82Å
929	N	87.9	Confident	90.9	Very high	56 Å²	56	33.4 Å²	33.4	30%	0.299	18%	0.18	S	C	.	.			trans	-90.5	3.5	-175.9	-71.7	-13.6	0	0	0	113.9	K899 L901 Q931	K899-N929 WeakPolarHBondContact CA-ND2 3.36Å; K899-N929 PolarHBondContact O-ND2 2.86Å; L901-N929 CarbonylContact O-C 3.26Å; N929-Q931 PolarHBondContact O-N 3.06Å
930	L	90.9	Very high	91	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.18	C	C	.	.			trans	-65	128.9	-177	-160.1	73.7	0	0	0	111	L904 F923 C928 L933 N957 L958	L904-L930 HydrophobicContact CB-CD1 3.67Å; L904-L930 HydrophobicContact CB-CD2 4.22Å; F923-L930 HydrophobicContact CD1-CD2 4.25Å; F923-L930 HydrophobicContact CE1-CD2 3.66Å; F923-L930 HydrophobicContact CZ-CD2 4.06Å; C928-L930 VanDerWaalsContact C-N 3.34Å; L930-L933 HydrophobicContact CD2-CB 3.85Å; L930-L933 HydrophobicContact CD2-CD1 3.94Å; L930-L933 HydrophobicContact CD2-CD2 4.42Å; L930-L933 HydrophobicContact CD2-CG 4.28Å; L930-N957 CarbonylContact O-C 3.55Å; L930-L958 PolarHBondContact O-N 3.3Å
931	Q	92.7	Very high	91.1	Very high	61 Å²	61	35.5 Å²	35.5	29%	0.285	19%	0.193	S	C	.	.			trans	-109.2	-35.9	179.2	-64.1	-179.6	47.4	0	0	111.4	T902 N929 R959 S960	T902-Q931 WeakPolarHBondContact O-CA 3.47Å; T902-Q931 PolarHBondContact O-N 3.01Å; N929-Q931 PolarHBondContact O-N 3.06Å; Q931-R959 PolarHBondContact O-N 3.04Å; Q931-S960 PolarHBondContact O-N 3.14Å
932	D	92.3	Very high	91.4	Very high	27 Å²	27	34.7 Å²	34.7	14%	0.144	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124	-177.5	-60.6	-35.5	0	0	0	109.9	T902 H903 L904 S960	T902-D932 PolarHBondContact O-N 3.04Å; H903-D932 WeakPolarHBondContact CA-O 3.42Å; H903-D932 HydrophobicContact CB-CB 4.27Å; L904-D932 PolarHBondContact N-O 2.9Å; D932-S960 WeakPolarHBondContact OD1-CB 3.4Å
933	L	93.7	Very high	91.6	Very high	1 Å²	1	37 Å²	37	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	118.6	-179.8	178.2	59.5	0	0	0	110.2	L904 F923 L930 L935 L958 S960 L961 D962	L904-L933 WeakPolarHBondContact O-CA 3.48Å; F923-L933 HydrophobicContact CD2-CD2 3.83Å; F923-L933 HydrophobicContact CE2-CD1 4.25Å; F923-L933 HydrophobicContact CE2-CD2 3.36Å; F923-L933 HydrophobicContact CE2-CG 4.47Å; F923-L933 HydrophobicContact CZ-CD1 4.04Å; F923-L933 HydrophobicContact CZ-CD2 3.88Å; L930-L933 HydrophobicContact CD2-CB 3.85Å; L930-L933 HydrophobicContact CD2-CD1 3.94Å; L930-L933 HydrophobicContact CD2-CD2 4.42Å; L930-L933 HydrophobicContact CD2-CG 4.28Å; L933-L935 HydrophobicContact CD1-CD1 4.35Å; L933-L935 HydrophobicContact CD1-CD2 4.27Å; L933-L935 HydrophobicContact CD1-CG 4.06Å; L933-L935 HydrophobicContact CD2-CD1 3.74Å; L933-L935 HydrophobicContact CD2-CG 4.34Å; L933-L935 HydrophobicContact CG-CD1 3.85Å; L933-L935 HydrophobicContact CG-CG 3.92Å; L933-L958 HydrophobicContact CB-CD1 3.91Å; L933-S960 PolarHBondContact N-O 2.97Å; L933-L961 HydrophobicContact CB-CD1 4.32Å; L933-L961 HydrophobicContact CD2-CD1 4.11Å; L933-L961 HydrophobicContact CG-CD1 4.23Å; L933-L961 WeakPolarHBondContact O-CA 3.41Å; L933-D962 PolarHBondContact O-N 2.96Å
934	E	93.4	Very high	91.9	Very high	23 Å²	23	37 Å²	37	11%	0.107	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.5	179.7	-52	-73.6	149.6	0	0	109.3	L904 D905 L906 D962	L904-E934 PolarHBondContact O-N 2.94Å; D905-E934 HydrophobicContact CB-CB 3.83Å; D905-E934 HydrophobicContact CB-CG 4.17Å; L906-E934 PolarHBondContact N-O 2.88Å; E934-D962 WeakPolarHBondContact OE2-CB 3.13Å
935	L	94.4	Very high	92.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.192	C	C	.	.			trans	-128.8	23.2	-175.7	-68.3	165.2	0	0	0	111.7	L906 L911 M916 L933 G937 C938 L940 L961 D962 L963 N966	L906-L935 HydrophobicContact CB-CD2 4.2Å; L906-L935 HydrophobicContact CD1-CD2 4.34Å; L911-L935 HydrophobicContact CD1-CD2 3.79Å; M916-L935 HydrophobicContact CE-CD1 3.88Å; M916-L935 HydrophobicContact SD-CD1 3.49Å; M916-L935 WeakPolarHBondContact SD-CD1 3.48Å; M916-L935 HydrophobicContact SD-CD2 4.2Å; M916-L935 HydrophobicContact SD-CG 4.49Å; L933-L935 HydrophobicContact CD1-CD1 4.35Å; L933-L935 HydrophobicContact CD1-CD2 4.27Å; L933-L935 HydrophobicContact CD1-CG 4.06Å; L933-L935 HydrophobicContact CD2-CD1 3.74Å; L933-L935 HydrophobicContact CD2-CG 4.34Å; L933-L935 HydrophobicContact CG-CD1 3.85Å; L933-L935 HydrophobicContact CG-CG 3.92Å; L935-G937 PolarHBondContact O-N 2.94Å; L935-C938 VanDerWaalsContact C-SG 3.52Å; L935-C938 WeakPolarHBondContact O-CB 3.47Å; L935-C938 PolarHBondContact O-N 3.32Å; L935-C938 PolarHBondContact O-SG 2.83Å; L935-L940 HydrophobicContact CB-CD1 4.29Å; L935-L961 HydrophobicContact CD1-CD1 4.19Å; L935-D962 CarbonylContact C-O 3.59Å; L935-D962 WeakPolarHBondContact CA-O 3.3Å; L935-D962 WeakPolarHBondContact CB-O 3.38Å; L935-D962 PolarHBondContact N-O 3.27Å; L935-L963 HydrophobicContact CB-CD2 4.18Å; L935-L963 HydrophobicContact CD1-CD2 4.03Å; L935-N966 PolarHBondContact O-ND2 3.2Å
936	M	92	Very high	92.7	Very high	28 Å²	28	33.6 Å²	33.6	14%	0.138	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	127.8	-178.4	-177	-180	-169.4	0	0	110.3	G907 S908 C938 G964 N965	G907-M936 CarbonylContact C-O 3.44Å; G907-M936 WeakPolarHBondContact CA-O 3.49Å; S908-M936 PolarHBondContact N-O 3.4Å; M936-C938 PolarHBondContact O-N 3.02Å; M936-G964 CarbonylContact C-O 3.53Å; M936-G964 WeakPolarHBondContact CA-O 3.46Å; M936-G964 WeakPolarHBondContact CG-O 3.1Å; M936-N965 HydrophobicContact CE-CB 4.41Å; M936-N965 WeakPolarHBondContact CE-ND2 3.29Å; M936-N965 HydrophobicContact CG-CB 4.02Å
937	G	92.7	Very high	93.2	Very high	18 Å²	18	31 Å²	31	19%	0.186	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	28.3	175.8	0	0	0	0	0	115.6	S908 L935 V939 G964 N965 N966	S908-G937 WeakPolarHBondContact CA-O 2.99Å; L935-G937 PolarHBondContact O-N 2.94Å; G937-V939 VanDerWaalsContact C-N 3.28Å; G937-V939 PolarHBondContact O-N 2.99Å; G937-G964 PolarHBondContact N-O 2.86Å; G937-N965 WeakPolarHBondContact CA-O 3.38Å; G937-N966 PolarHBondContact N-ND2 3Å
938	C	94.2	Very high	93.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-84.8	10.4	-178.9	-71.8	0	0	0	0	115.4	L906 N909 L911 Q912 L935 M936 L940 N966	L906-C938 PolarHBondContact O-SG 2.89Å; N909-C938 CarbonylContact O-C 3.54Å; N909-C938 WeakPolarHBondContact O-CA 3.3Å; L911-C938 HydrophobicContact CB-CB 4.42Å; L911-C938 HydrophobicContact CD1-CB 4.27Å; L911-C938 HydrophobicContact CG-CB 4.47Å; Q912-C938 PolarHBondContact N-O 2.94Å; L935-C938 VanDerWaalsContact C-SG 3.52Å; L935-C938 WeakPolarHBondContact O-CB 3.47Å; L935-C938 PolarHBondContact O-N 3.32Å; L935-C938 PolarHBondContact O-SG 2.83Å; M936-C938 PolarHBondContact O-N 3.02Å; C938-L940 VanDerWaalsContact C-N 3.3Å; C938-L940 HydrophobicContact CB-CD1 4.19Å; C938-L940 HydrophobicContact CB-CD2 4.21Å; C938-L940 HydrophobicContact CB-CG 3.84Å; C938-L940 PolarHBondContact O-N 3.06Å; C938-N966 PolarHBondContact N-OD1 3.25Å
939	V	94.3	Very high	94.3	Very high	79 Å²	79	29.8 Å²	29.8	48%	0.479	17%	0.173	S	C	.	.			trans	60.4	39.5	-175	-159.1	0	0	0	0	111.7	G937 N966	G937-V939 VanDerWaalsContact C-N 3.28Å; G937-V939 PolarHBondContact O-N 2.99Å; V939-N966 PolarHBondContact N-OD1 3.42Å; V939-N966 VanDerWaalsContact N-OD1 3.13Å
940	L	96	Very high	94.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	17%	0.166	C	C	.	.			trans	-85.4	146.4	177.8	-54.4	179.9	0	0	0	111.1	M916 L935 C938 L963 N966 N967 L968	M916-L940 HydrophobicContact CB-CD2 3.77Å; M916-L940 HydrophobicContact CG-CD1 4.41Å; M916-L940 HydrophobicContact CG-CD2 4.15Å; M916-L940 HydrophobicContact SD-CD1 4.3Å; L935-L940 HydrophobicContact CB-CD1 4.29Å; C938-L940 VanDerWaalsContact C-N 3.3Å; C938-L940 HydrophobicContact CB-CD1 4.19Å; C938-L940 HydrophobicContact CB-CD2 4.21Å; C938-L940 HydrophobicContact CB-CG 3.84Å; C938-L940 PolarHBondContact O-N 3.06Å; L940-L963 HydrophobicContact CD1-CD2 4.13Å; L940-N966 HydrophobicContact CB-CB 3.96Å; L940-N966 PolarHBondContact N-OD1 3.28Å; L940-N967 PolarHBondContact O-N 3.47Å; L940-L968 HydrophobicContact CB-CD2 4.21Å
941	T	96.6	Very high	94.8	Very high	43 Å²	43	28.1 Å²	28.1	26%	0.264	17%	0.166	S	C	.	.	B	Isolated β-bridge	trans	-120.8	-179.6	175.7	80.4	0	0	0	0	111.7	D913 A943 C944 N967	D913-T941 PolarHBondContact OD1-N 3.03Å; D913-T941 PolarHBondContact OD2-OG1 2.95Å; T941-A943 PolarHBondContact O-N 3.08Å; T941-A943 VanDerWaalsContact O-N 3.1Å; T941-A943 WeakPolarHBondContact OG1-CB 3.37Å; T941-A943 PolarHBondContact OG1-N 2.78Å; T941-C944 PolarHBondContact O-N 2.86Å; T941-C944 PolarHBondContact O-SG 3.42Å; T941-N967 WeakPolarHBondContact CA-O 3.43Å
942	N	95.3	Very high	94.9	Very high	59 Å²	59	25.4 Å²	25.4	32%	0.316	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-57.7	-20.3	173.8	67	-0.5	0	0	0	113.7	C944 C945 L968	N942-C944 VanDerWaalsContact C-N 3.33Å; N942-C944 PolarHBondContact O-N 3.13Å; N942-C945 WeakPolarHBondContact O-CB 3.36Å; N942-C945 PolarHBondContact O-N 3.45Å; N942-L968 VanDerWaalsContact CB-O 3.25Å; N942-L968 WeakPolarHBondContact CB-O 3.2Å
943	A	95.9	Very high	94.9	Very high	57 Å²	57	25.2 Å²	25.2	47%	0.471	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-63.8	-34.4	-178.4	0	0	0	0	0	113.2	D913 T941 C945	D913-A943 HydrophobicContact CB-CB 4.44Å; T941-A943 PolarHBondContact O-N 3.08Å; T941-A943 VanDerWaalsContact O-N 3.1Å; T941-A943 WeakPolarHBondContact OG1-CB 3.37Å; T941-A943 PolarHBondContact OG1-N 2.78Å; A943-C945 VanDerWaalsContact C-N 3.34Å
944	C	95.8	Very high	94.7	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-81.6	-8.9	178.1	71.6	0	0	0	0	114.1	D913 M916 T941 N942 L946 D947 L948	D913-C944 HydrophobicContact CB-CB 4.16Å; D913-C944 WeakPolarHBondContact OD1-CB 3.34Å; D913-C944 PolarHBondContact OD1-SG 3.16Å; M916-C944 HydrophobicContact CB-CB 4.22Å; M916-C944 HydrophobicContact CG-CB 4.09Å; T941-C944 PolarHBondContact O-N 2.86Å; T941-C944 PolarHBondContact O-SG 3.42Å; N942-C944 VanDerWaalsContact C-N 3.33Å; N942-C944 PolarHBondContact O-N 3.13Å; C944-L946 VanDerWaalsContact C-N 3.27Å; C944-L946 PolarHBondContact O-N 3.24Å; C944-D947 PolarHBondContact O-N 3.36Å; C944-D947 VanDerWaalsContact O-N 3.12Å; C944-L948 PolarHBondContact O-N 2.9Å
945	C	96.9	Very high	94.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.7	-28.1	-173.4	-72	0	0	0	0	113	N942 A943 A949 G972 I975 L976	N942-C945 WeakPolarHBondContact O-CB 3.36Å; N942-C945 PolarHBondContact O-N 3.45Å; A943-C945 VanDerWaalsContact C-N 3.34Å; C945-A949 WeakPolarHBondContact O-CB 3.36Å; C945-A949 PolarHBondContact O-N 3.14Å; C945-G972 WeakPolarHBondContact SG-CA 3.12Å; C945-I975 HydrophobicContact CB-CB 4.26Å; C945-I975 HydrophobicContact CB-CD1 4.3Å; C945-I975 HydrophobicContact CB-CG2 4.28Å; C945-I975 WeakPolarHBondContact O-CG2 3.31Å; C945-L976 HydrophobicContact CB-CD2 4.36Å; C945-L976 HydrophobicContact CB-CG 4.47Å
946	L	96.3	Very high	94.3	Very high	118 Å²	118	34.5 Å²	34.5	62%	0.618	20%	0.197	S	C	*	.	H	α-helix	trans	-65.6	-43.9	173.1	-74.6	171.4	0	0	0	111.7	C944 A949 S950 I975	C944-L946 VanDerWaalsContact C-N 3.27Å; C944-L946 PolarHBondContact O-N 3.24Å; L946-A949 PolarHBondContact O-N 3.25Å; L946-S950 PolarHBondContact O-N 2.76Å; L946-S950 VanDerWaalsContact O-N 3.11Å; L946-I975 HydrophobicContact CD2-CD1 4.19Å; L946-I975 HydrophobicContact CD2-CG2 3.92Å; L946-I975 HydrophobicContact CG-CD1 4.19Å; L946-I975 HydrophobicContact CG-CG2 4.43Å
947	D	96.5	Very high	94.3	Very high	37 Å²	37	35.5 Å²	35.5	20%	0.198	20%	0.203	C	C	.	.	H	α-helix	trans	-67.2	-44.8	177.4	-62.6	-59.1	0	0	0	110.4	C920 C944 A949 S950 V951	C920-D947 HydrophobicContact CB-CB 3.82Å; C944-D947 PolarHBondContact O-N 3.36Å; C944-D947 VanDerWaalsContact O-N 3.12Å; D947-A949 PolarHBondContact O-N 2.86Å; D947-S950 WeakPolarHBondContact O-CB 3.26Å; D947-S950 PolarHBondContact O-N 3.23Å; D947-S950 VanDerWaalsContact O-N 3.15Å; D947-S950 PolarHBondContact O-OG 2.76Å; D947-V951 PolarHBondContact O-N 2.76Å; D947-V951 VanDerWaalsContact O-N 3.15Å
948	L	96.1	Very high	94.3	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-42.6	174.8	-76.8	167.5	0	0	0	112.7	M916 C944 S950 V951 I952 L961 L963 L976	M916-L948 HydrophobicContact CE-CD2 3.63Å; M916-L948 HydrophobicContact CE-CG 4.45Å; M916-L948 HydrophobicContact CG-CD2 4.47Å; M916-L948 HydrophobicContact CG-CG 4.41Å; M916-L948 HydrophobicContact SD-CD2 4.26Å; C944-L948 PolarHBondContact O-N 2.9Å; L948-S950 PolarHBondContact O-N 3.05Å; L948-V951 WeakPolarHBondContact O-CB 3.45Å; L948-V951 PolarHBondContact O-N 3.41Å; L948-I952 WeakPolarHBondContact O-CG1 3.3Å; L948-I952 PolarHBondContact O-N 3.15Å; L948-L961 HydrophobicContact CD2-CD2 4.43Å; L948-L963 HydrophobicContact CD1-CD1 4.05Å; L948-L963 HydrophobicContact CD1-CD2 3.8Å; L948-L963 HydrophobicContact CD2-CD2 4.34Å; L948-L976 HydrophobicContact CB-CD2 3.85Å
949	A	96.3	Very high	94.2	Very high	12 Å²	12	40.5 Å²	40.5	10%	0.099	22%	0.217	C	C	.	.	H	α-helix	trans	-58.3	-39.4	174.7	0	0	0	0	0	111.6	C945 L946 D947 V951 I952 V953 I975 L976 A979	C945-A949 WeakPolarHBondContact O-CB 3.36Å; C945-A949 PolarHBondContact O-N 3.14Å; L946-A949 PolarHBondContact O-N 3.25Å; D947-A949 PolarHBondContact O-N 2.86Å; A949-V951 VanDerWaalsContact C-N 3.33Å; A949-V951 PolarHBondContact O-N 2.93Å; A949-I952 PolarHBondContact O-N 2.8Å; A949-V953 WeakPolarHBondContact O-CG2 3.21Å; A949-V953 PolarHBondContact O-N 3.42Å; A949-V953 VanDerWaalsContact O-N 3.09Å; A949-I975 HydrophobicContact CB-CG2 3.69Å; A949-L976 HydrophobicContact CB-CD2 4.47Å; A949-A979 HydrophobicContact CB-CB 3.73Å
950	S	94.1	Very high	94.2	Very high	21 Å²	21	36.9 Å²	36.9	15%	0.147	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-38.2	175.1	81.2	0	0	0	0	112	R924 L946 D947 L948 V953 Y954	R924-S950 VanDerWaalsContact CD-OG 3.23Å; R924-S950 WeakPolarHBondContact CD-OG 3.46Å; L946-S950 PolarHBondContact O-N 2.76Å; L946-S950 VanDerWaalsContact O-N 3.11Å; D947-S950 WeakPolarHBondContact O-CB 3.26Å; D947-S950 PolarHBondContact O-N 3.23Å; D947-S950 VanDerWaalsContact O-N 3.15Å; D947-S950 PolarHBondContact O-OG 2.76Å; L948-S950 PolarHBondContact O-N 3.05Å; S950-V953 PolarHBondContact O-N 3.37Å; S950-Y954 WeakPolarHBondContact O-CB 3.5Å; S950-Y954 WeakPolarHBondContact O-CD2 3.46Å; S950-Y954 PolarHBondContact O-N 2.8Å
951	V	94.9	Very high	94.2	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-45.9	173.1	178.3	0	0	0	0	111	C920 F923 R924 D947 L948 A949 V953 Y954 N955 L958	C920-V951 HydrophobicContact CB-CG2 3.85Å; F923-V951 HydrophobicContact CB-CG1 3.71Å; F923-V951 HydrophobicContact CB-CG2 3.9Å; R924-V951 HydrophobicContact CG-CG2 4Å; D947-V951 PolarHBondContact O-N 2.76Å; D947-V951 VanDerWaalsContact O-N 3.15Å; L948-V951 WeakPolarHBondContact O-CB 3.45Å; L948-V951 PolarHBondContact O-N 3.41Å; A949-V951 VanDerWaalsContact C-N 3.33Å; A949-V951 PolarHBondContact O-N 2.93Å; V951-V953 PolarHBondContact O-N 2.88Å; V951-Y954 PolarHBondContact O-N 3.22Å; V951-N955 HydrophobicContact CG1-CB 3.98Å; V951-N955 WeakPolarHBondContact O-CB 3.37Å; V951-N955 PolarHBondContact O-N 3.18Å; V951-L958 HydrophobicContact CG1-CD2 3.84Å
952	I	94.3	Very high	94	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-58.3	-35.7	179.1	-68.5	170.7	0	0	0	112.1	L948 A949 L961 L976 A979 L980 C985 I987	L948-I952 WeakPolarHBondContact O-CG1 3.3Å; L948-I952 PolarHBondContact O-N 3.15Å; A949-I952 PolarHBondContact O-N 2.8Å; I952-L961 HydrophobicContact CD1-CD2 4.19Å; I952-L961 HydrophobicContact CG1-CD2 4.24Å; I952-L976 HydrophobicContact CD1-CD2 3.88Å; I952-A979 HydrophobicContact CB-CB 4.01Å; I952-A979 HydrophobicContact CG2-CB 3.82Å; I952-L980 HydrophobicContact CG2-CD2 4.12Å; I952-C985 VanDerWaalsContact CG2-SG 3.54Å; I952-I987 HydrophobicContact CG1-CG1 4.27Å; I952-I987 HydrophobicContact CG2-CG1 4.11Å
953	V	92.8	Very high	94.1	Very high	23 Å²	23	32.4 Å²	32.4	14%	0.139	17%	0.169	C	C	.	.	H	α-helix	trans	-80.3	-43	-178.9	173.8	0	0	0	0	112.4	A949 S950 V951 A979 Y982	A949-V953 WeakPolarHBondContact O-CG2 3.21Å; A949-V953 PolarHBondContact O-N 3.42Å; A949-V953 VanDerWaalsContact O-N 3.09Å; S950-V953 PolarHBondContact O-N 3.37Å; V951-V953 PolarHBondContact O-N 2.88Å; V953-A979 HydrophobicContact CG2-CB 3.82Å; V953-Y982 HydrophobicContact CG1-CD1 3.8Å; V953-Y982 HydrophobicContact CG1-CD2 4.4Å; V953-Y982 HydrophobicContact CG1-CE1 4.01Å; V953-Y982 HydrophobicContact CG1-CG 4.01Å; V953-Y982 HydrophobicContact CG2-CG 4.26Å
954	Y	90.7	Very high	94	Very high	153 Å²	153	29.7 Å²	29.7	60%	0.6	15%	0.146	S	C	*	.	H	α-helix	trans	-102.9	-18.3	-167.2	-62.8	-64.4	0	0	0	114.8	S950 V951 P956	S950-Y954 WeakPolarHBondContact O-CB 3.5Å; S950-Y954 WeakPolarHBondContact O-CD2 3.46Å; S950-Y954 PolarHBondContact O-N 2.8Å; V951-Y954 PolarHBondContact O-N 3.22Å; Y954-P956 WeakPolarHBondContact O-CD 3.46Å
955	N	90.2	Very high	93.8	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	16%	0.162	C	C	.	.			trans	-77.4	120.9	179.4	-174.5	-48.1	0	0	0	111.1	F923 V951 N957 L958 N986	F923-N955 WeakPolarHBondContact O-CB 3.25Å; F923-N955 PolarHBondContact O-ND2 3.48Å; V951-N955 HydrophobicContact CG1-CB 3.98Å; V951-N955 WeakPolarHBondContact O-CB 3.37Å; V951-N955 PolarHBondContact O-N 3.18Å; N955-N957 VanDerWaalsContact C-N 3.35Å; N955-N957 PolarHBondContact O-N 3.28Å; N955-N957 WeakPolarHBondContact OD1-CA 3.43Å; N955-N957 PolarHBondContact OD1-N 2.73Å; N955-L958 HydrophobicContact CB-CB 4.22Å; N955-L958 PolarHBondContact OD1-N 3.46Å; N955-N986 PolarHBondContact O-ND2 3.37Å
956	P	88.5	Confident	93.8	Very high	62 Å²	62	32.9 Å²	32.9	40%	0.403	16%	0.164	S	C	.	.	S	Bend	trans	-78.4	-15.3	-177.9	31.6	-35	0	0	0	114.4	Y954 N986	Y954-P956 WeakPolarHBondContact O-CD 3.46Å; P956-N986 VanDerWaalsContact C-ND2 3.32Å; P956-N986 VanDerWaalsContact CA-ND2 3.33Å; P956-N986 WeakPolarHBondContact CA-ND2 3.18Å; P956-N986 PolarHBondContact O-ND2 3.04Å; P956-N986 VanDerWaalsContact O-ND2 3.11Å
957	N	91	Very high	93.7	Very high	50 Å²	50	31.3 Å²	31.3	27%	0.267	16%	0.156	S	C	.	.	S	Bend	trans	-112	-29.2	-167.2	-64.8	-40.3	0	0	0	113.9	C928 L930 N955 R959	C928-N957 PolarHBondContact O-ND2 2.82Å; L930-N957 CarbonylContact O-C 3.55Å; N955-N957 VanDerWaalsContact C-N 3.35Å; N955-N957 PolarHBondContact O-N 3.28Å; N955-N957 WeakPolarHBondContact OD1-CA 3.43Å; N955-N957 PolarHBondContact OD1-N 2.73Å; N957-R959 WeakPolarHBondContact O-CG 3.46Å; N957-R959 PolarHBondContact O-N 3.14Å
958	L	92.9	Very high	93.7	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	15%	0.146	C	C	.	.			trans	-67.3	123.1	-174.6	-167	70.9	0	0	0	111.3	L930 L933 V951 N955 N986 I987	L930-L958 PolarHBondContact O-N 3.3Å; L933-L958 HydrophobicContact CB-CD1 3.91Å; V951-L958 HydrophobicContact CG1-CD2 3.84Å; N955-L958 HydrophobicContact CB-CB 4.22Å; N955-L958 PolarHBondContact OD1-N 3.46Å; L958-N986 CarbonylContact O-C 3.33Å; L958-N986 VanDerWaalsContact O-CB 3.32Å; L958-N986 WeakPolarHBondContact O-CB 3.35Å; L958-I987 HydrophobicContact CB-CD1 4.37Å; L958-I987 HydrophobicContact CD2-CD1 3.98Å; L958-I987 HydrophobicContact CG-CD1 3.91Å
959	R	93	Very high	93.8	Very high	119 Å²	119	33.2 Å²	33.2	45%	0.449	16%	0.163	S	C	.	.			trans	-120.5	-32	-175.9	-68.9	171.5	-173.3	-178.5	2	112.6	Q931 N957 Q988 R989	Q931-R959 PolarHBondContact O-N 3.04Å; N957-R959 WeakPolarHBondContact O-CG 3.46Å; N957-R959 PolarHBondContact O-N 3.14Å; R959-Q988 PolarHBondContact O-N 3.34Å; R959-R989 PolarHBondContact O-N 3.35Å
960	S	94.1	Very high	93.9	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.014	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.4	176.6	-163.8	0	0	0	0	110.1	Q931 D932 L933 R989	Q931-S960 PolarHBondContact O-N 3.14Å; D932-S960 WeakPolarHBondContact OD1-CB 3.4Å; L933-S960 PolarHBondContact N-O 2.97Å; S960-R989 WeakPolarHBondContact OG-CB 3.49Å
961	L	95.3	Very high	94	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	115.2	174	176.8	58.6	0	0	0	108.5	L933 L935 L948 I952 L963 I987 R989 L990 G991	L933-L961 HydrophobicContact CB-CD1 4.32Å; L933-L961 HydrophobicContact CD2-CD1 4.11Å; L933-L961 HydrophobicContact CG-CD1 4.23Å; L933-L961 WeakPolarHBondContact O-CA 3.41Å; L935-L961 HydrophobicContact CD1-CD1 4.19Å; L948-L961 HydrophobicContact CD2-CD2 4.43Å; I952-L961 HydrophobicContact CD1-CD2 4.19Å; I952-L961 HydrophobicContact CG1-CD2 4.24Å; L961-L963 HydrophobicContact CD1-CD2 3.99Å; L961-L963 HydrophobicContact CD1-CG 4.17Å; L961-L963 HydrophobicContact CD2-CD1 4.08Å; L961-L963 HydrophobicContact CD2-CG 4.35Å; L961-L963 HydrophobicContact CG-CD1 4.22Å; L961-L963 HydrophobicContact CG-CD2 4.31Å; L961-L963 HydrophobicContact CG-CG 3.97Å; L961-I987 HydrophobicContact CB-CD1 4.26Å; L961-R989 PolarHBondContact N-O 3.42Å; L961-R989 VanDerWaalsContact N-O 3.08Å; L961-L990 HydrophobicContact CB-CD1 4.41Å; L961-L990 HydrophobicContact CG-CD1 4.46Å; L961-L990 WeakPolarHBondContact O-CA 3.46Å; L961-L990 WeakPolarHBondContact O-CD1 3.32Å; L961-G991 PolarHBondContact O-N 3.42Å
962	D	94	Very high	94.1	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.037	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.4	172.7	-160.9	-25.7	0	0	0	110.4	L933 E934 L935 G964 G991 Y1080	L933-D962 PolarHBondContact O-N 2.96Å; E934-D962 WeakPolarHBondContact OE2-CB 3.13Å; L935-D962 CarbonylContact C-O 3.59Å; L935-D962 WeakPolarHBondContact CA-O 3.3Å; L935-D962 WeakPolarHBondContact CB-O 3.38Å; L935-D962 PolarHBondContact N-O 3.27Å; D962-G964 PolarHBondContact OD1-N 3.45Å; D962-G991 WeakPolarHBondContact OD1-CA 3.34Å; D962-Y1080 WeakPolarHBondContact OD2-CD2 3.49Å; D962-Y1080 WeakPolarHBondContact OD2-CE2 3.44Å
963	L	96.1	Very high	94.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.			trans	-117.2	15.5	178.4	-60.2	168.1	0	0	0	111.8	L935 L940 L948 L961 N966 L968 L976 G991 L992 C995	L935-L963 HydrophobicContact CB-CD2 4.18Å; L935-L963 HydrophobicContact CD1-CD2 4.03Å; L940-L963 HydrophobicContact CD1-CD2 4.13Å; L948-L963 HydrophobicContact CD1-CD1 4.05Å; L948-L963 HydrophobicContact CD1-CD2 3.8Å; L948-L963 HydrophobicContact CD2-CD2 4.34Å; L961-L963 HydrophobicContact CD1-CD2 3.99Å; L961-L963 HydrophobicContact CD1-CG 4.17Å; L961-L963 HydrophobicContact CD2-CD1 4.08Å; L961-L963 HydrophobicContact CD2-CG 4.35Å; L961-L963 HydrophobicContact CG-CD1 4.22Å; L961-L963 HydrophobicContact CG-CD2 4.31Å; L961-L963 HydrophobicContact CG-CG 3.97Å; L963-N966 WeakPolarHBondContact O-CB 3.36Å; L963-N966 PolarHBondContact O-ND2 2.54Å; L963-L968 HydrophobicContact CB-CD1 3.87Å; L963-L968 HydrophobicContact CD1-CD1 3.9Å; L963-L968 HydrophobicContact CG-CD1 4.49Å; L963-L976 HydrophobicContact CD1-CD1 3.64Å; L963-G991 PolarHBondContact N-O 3.41Å; L963-L992 HydrophobicContact CB-CD2 4.38Å; L963-L992 HydrophobicContact CD1-CD2 4.43Å; L963-C995 PolarHBondContact O-SG 3.1Å
964	G	93.4	Very high	94.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	161.1	-176.5	0	0	0	0	0	113.7	M936 G937 D962 N966 E993	M936-G964 CarbonylContact C-O 3.53Å; M936-G964 WeakPolarHBondContact CA-O 3.46Å; M936-G964 WeakPolarHBondContact CG-O 3.1Å; G937-G964 PolarHBondContact N-O 2.86Å; D962-G964 PolarHBondContact OD1-N 3.45Å; G964-N966 PolarHBondContact O-N 2.93Å; G964-N966 VanDerWaalsContact O-N 3.14Å; G964-N966 PolarHBondContact O-ND2 3.05Å; G964-N966 VanDerWaalsContact O-ND2 3.12Å; G964-E993 CarbonylContact C-O 3.53Å; G964-E993 WeakPolarHBondContact CA-O 3.37Å
965	N	92.9	Very high	94.8	Very high	63 Å²	63	36 Å²	36	34%	0.337	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	32.3	-178.7	-68.3	-16.3	0	0	0	114.8	M936 G937 E993 Y994	M936-N965 HydrophobicContact CE-CB 4.41Å; M936-N965 WeakPolarHBondContact CE-ND2 3.29Å; M936-N965 HydrophobicContact CG-CB 4.02Å; G937-N965 WeakPolarHBondContact CA-O 3.38Å; N965-E993 PolarHBondContact N-O 3.32Å; N965-Y994 HydrophobicContact CB-CD1 4.49Å; N965-Y994 VanDerWaalsContact OD1-CB 3.25Å; N965-Y994 WeakPolarHBondContact OD1-CB 3.42Å; N965-Y994 WeakPolarHBondContact OD1-CD1 3.39Å
966	N	95.8	Very high	95.2	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.032	18%	0.179	C	C	.	.	S	Bend	trans	-120.1	152.2	174	-71.6	-66.6	0	0	0	110.9	L935 G937 C938 V939 L940 L963 G964 L968 C995	L935-N966 PolarHBondContact O-ND2 3.2Å; G937-N966 PolarHBondContact N-ND2 3Å; C938-N966 PolarHBondContact N-OD1 3.25Å; V939-N966 PolarHBondContact N-OD1 3.42Å; V939-N966 VanDerWaalsContact N-OD1 3.13Å; L940-N966 HydrophobicContact CB-CB 3.96Å; L940-N966 PolarHBondContact N-OD1 3.28Å; L963-N966 WeakPolarHBondContact O-CB 3.36Å; L963-N966 PolarHBondContact O-ND2 2.54Å; G964-N966 PolarHBondContact O-N 2.93Å; G964-N966 VanDerWaalsContact O-N 3.14Å; G964-N966 PolarHBondContact O-ND2 3.05Å; G964-N966 VanDerWaalsContact O-ND2 3.12Å; N966-L968 VanDerWaalsContact C-N 3.27Å; N966-L968 HydrophobicContact CB-CD2 4.06Å; N966-L968 HydrophobicContact CB-CG 4.14Å; N966-L968 PolarHBondContact O-N 3.27Å; N966-C995 CarbonylContact O-C 3.23Å; N966-C995 WeakPolarHBondContact O-CA 3.33Å
967	N	95.4	Very high	95.6	Very high	84 Å²	84	33 Å²	33	45%	0.449	16%	0.16	S	C	.	.	B	Isolated β-bridge	trans	-88.2	60.6	-176.2	-173.7	36.1	0	0	0	111.9	L940 T941 Q969	L940-N967 PolarHBondContact O-N 3.47Å; T941-N967 WeakPolarHBondContact CA-O 3.43Å; N967-Q969 PolarHBondContact ND2-NE2 3.09Å; N967-Q969 WeakPolarHBondContact OD1-CG 3.43Å; N967-Q969 PolarHBondContact OD1-NE2 3.01Å
968	L	97	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.			trans	-74.2	-29.1	-176.3	-55.8	-174.4	0	0	0	113.3	L940 N942 L963 N966 G972 V973 L976 L992 C995	L940-L968 HydrophobicContact CB-CD2 4.21Å; N942-L968 VanDerWaalsContact CB-O 3.25Å; N942-L968 WeakPolarHBondContact CB-O 3.2Å; L963-L968 HydrophobicContact CB-CD1 3.87Å; L963-L968 HydrophobicContact CD1-CD1 3.9Å; L963-L968 HydrophobicContact CG-CD1 4.49Å; N966-L968 VanDerWaalsContact C-N 3.27Å; N966-L968 HydrophobicContact CB-CD2 4.06Å; N966-L968 HydrophobicContact CB-CG 4.14Å; N966-L968 PolarHBondContact O-N 3.27Å; L968-G972 WeakPolarHBondContact O-CA 3.08Å; L968-G972 PolarHBondContact O-N 2.9Å; L968-V973 HydrophobicContact CB-CG2 4.39Å; L968-L976 HydrophobicContact CD1-CD1 4.18Å; L968-L992 HydrophobicContact CD1-CD2 3.89Å; L968-C995 PolarHBondContact N-O 3.15Å
969	Q	97.2	Very high	96	Very high	80 Å²	80	34 Å²	34	37%	0.374	17%	0.166	S	C	.	.	H	α-helix	trans	58.7	175.5	-179.4	-54.2	-177.5	-14.5	0	0	113.8	N967 D971 G972 V973 C995	N967-Q969 PolarHBondContact ND2-NE2 3.09Å; N967-Q969 WeakPolarHBondContact OD1-CG 3.43Å; N967-Q969 PolarHBondContact OD1-NE2 3.01Å; Q969-D971 VanDerWaalsContact C-N 3.33Å; Q969-D971 PolarHBondContact O-N 3.35Å; Q969-G972 PolarHBondContact O-N 3Å; Q969-V973 PolarHBondContact O-N 3.04Å; Q969-V973 VanDerWaalsContact O-N 3.15Å; Q969-C995 PolarHBondContact N-O 3.21Å
970	D	97.6	Very high	96.1	Very high	26 Å²	26	28.4 Å²	28.4	14%	0.139	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-39.4	-178.3	-65.1	-50.1	0	0	0	112.6	V973 K974 T998 L1000 C1001	D970-V973 PolarHBondContact O-N 2.87Å; D970-K974 WeakPolarHBondContact O-CB 3.5Å; D970-K974 PolarHBondContact O-N 3.22Å; D970-T998 PolarHBondContact OD1-N 3.1Å; D970-T998 PolarHBondContact OD1-OG1 3.12Å; D970-T998 WeakPolarHBondContact OD2-CB 3.38Å; D970-T998 PolarHBondContact OD2-OG1 2.67Å; D970-L1000 HydrophobicContact CB-CB 4.28Å; D970-C1001 HydrophobicContact CB-CB 4.01Å; D970-C1001 VanDerWaalsContact OD1-CB 3.3Å; D970-C1001 WeakPolarHBondContact OD1-CB 3.48Å; D970-C1001 PolarHBondContact OD1-N 2.97Å; D970-C1001 PolarHBondContact OD1-SG 2.87Å
971	D	96.5	Very high	96.2	Very high	104 Å²	104	33.3 Å²	33.3	56%	0.556	16%	0.163	S	C	*	.	H	α-helix	trans	-65.2	-40.8	179.9	-74.5	-28.9	0	0	0	112.5	Q969 K974 I975	Q969-D971 VanDerWaalsContact C-N 3.33Å; Q969-D971 PolarHBondContact O-N 3.35Å; D971-K974 PolarHBondContact O-N 3.33Å; D971-I975 WeakPolarHBondContact O-CG1 3.3Å; D971-I975 PolarHBondContact O-N 3.2Å
972	G	97.1	Very high	96	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.1	-46.5	176.4	0	0	0	0	0	111.6	C945 L968 Q969 K974 I975 L976	C945-G972 WeakPolarHBondContact SG-CA 3.12Å; L968-G972 WeakPolarHBondContact O-CA 3.08Å; L968-G972 PolarHBondContact O-N 2.9Å; Q969-G972 PolarHBondContact O-N 3Å; G972-K974 VanDerWaalsContact C-N 3.3Å; G972-K974 PolarHBondContact O-N 2.98Å; G972-I975 WeakPolarHBondContact O-CB 3.4Å; G972-I975 PolarHBondContact O-N 3.06Å; G972-I975 VanDerWaalsContact O-N 3.13Å; G972-L976 PolarHBondContact O-N 3.46Å; G972-L976 VanDerWaalsContact O-N 3.12Å
973	V	97.1	Very high	95.6	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-66.6	-31.4	178.6	169.5	0	0	0	0	112.5	L968 Q969 D970 I975 L976 C977 L992 L997 C1001 L1005	L968-V973 HydrophobicContact CB-CG2 4.39Å; Q969-V973 PolarHBondContact O-N 3.04Å; Q969-V973 VanDerWaalsContact O-N 3.15Å; D970-V973 PolarHBondContact O-N 2.87Å; V973-I975 VanDerWaalsContact C-N 3.34Å; V973-I975 PolarHBondContact O-N 3.43Å; V973-L976 PolarHBondContact O-N 3.14Å; V973-C977 WeakPolarHBondContact O-CB 3.49Å; V973-C977 PolarHBondContact O-N 3.36Å; V973-C977 PolarHBondContact O-SG 3.41Å; V973-L992 HydrophobicContact CG1-CD1 4.19Å; V973-L992 HydrophobicContact CG2-CD1 4.2Å; V973-L992 HydrophobicContact CG2-CD2 4.03Å; V973-L997 HydrophobicContact CB-CD2 3.92Å; V973-L997 HydrophobicContact CG1-CD1 4.49Å; V973-L997 HydrophobicContact CG2-CD1 4.02Å; V973-L997 HydrophobicContact CG2-CD2 3.29Å; V973-L997 HydrophobicContact CG2-CG 4.28Å; V973-C1001 HydrophobicContact CG1-CB 4.37Å; V973-L1005 HydrophobicContact CG1-CD2 3.97Å; V973-L1005 HydrophobicContact CG1-CG 4.26Å
974	K	97.8	Very high	95	Very high	95 Å²	95	48.9 Å²	48.9	41%	0.413	25%	0.245	S	C	.	.	H	α-helix	trans	-57.8	-46.5	170.5	178.9	178.2	179.4	-176.2	0	111.7	D970 D971 G972 L976 C977 D978 D1004	D970-K974 WeakPolarHBondContact O-CB 3.5Å; D970-K974 PolarHBondContact O-N 3.22Å; D971-K974 PolarHBondContact O-N 3.33Å; G972-K974 VanDerWaalsContact C-N 3.3Å; G972-K974 PolarHBondContact O-N 2.98Å; K974-L976 VanDerWaalsContact C-N 3.32Å; K974-L976 PolarHBondContact O-N 3.37Å; K974-C977 WeakPolarHBondContact O-CB 3.5Å; K974-C977 PolarHBondContact O-N 3.32Å; K974-C977 VanDerWaalsContact O-N 3.16Å; K974-D978 VanDerWaalsContact O-CG 3.3Å; K974-D978 PolarHBondContact O-N 3.04Å; K974-D1004 HydrophobicContact CG-CB 4.48Å
975	I	97.9	Very high	94.9	Very high	47 Å²	47	49 Å²	49	24%	0.241	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-43	176.4	-65	164.1	0	0	0	111	C945 L946 A949 D971 G972 V973 D978 A979	C945-I975 HydrophobicContact CB-CB 4.26Å; C945-I975 HydrophobicContact CB-CD1 4.3Å; C945-I975 HydrophobicContact CB-CG2 4.28Å; C945-I975 WeakPolarHBondContact O-CG2 3.31Å; L946-I975 HydrophobicContact CD2-CD1 4.19Å; L946-I975 HydrophobicContact CD2-CG2 3.92Å; L946-I975 HydrophobicContact CG-CD1 4.19Å; L946-I975 HydrophobicContact CG-CG2 4.43Å; A949-I975 HydrophobicContact CB-CG2 3.69Å; D971-I975 WeakPolarHBondContact O-CG1 3.3Å; D971-I975 PolarHBondContact O-N 3.2Å; G972-I975 WeakPolarHBondContact O-CB 3.4Å; G972-I975 PolarHBondContact O-N 3.06Å; G972-I975 VanDerWaalsContact O-N 3.13Å; V973-I975 VanDerWaalsContact C-N 3.34Å; V973-I975 PolarHBondContact O-N 3.43Å; I975-D978 WeakPolarHBondContact O-CB 3.4Å; I975-D978 PolarHBondContact O-N 3.46Å; I975-A979 PolarHBondContact O-N 2.77Å
976	L	97.6	Very high	94.7	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-65.6	-40.1	175.9	-58.7	-180	0	0	0	111.8	C945 L948 A949 I952 L963 L968 G972 V973 K974 D978 A979 L980 L992	C945-L976 HydrophobicContact CB-CD2 4.36Å; C945-L976 HydrophobicContact CB-CG 4.47Å; L948-L976 HydrophobicContact CB-CD2 3.85Å; A949-L976 HydrophobicContact CB-CD2 4.47Å; I952-L976 HydrophobicContact CD1-CD2 3.88Å; L963-L976 HydrophobicContact CD1-CD1 3.64Å; L968-L976 HydrophobicContact CD1-CD1 4.18Å; G972-L976 PolarHBondContact O-N 3.46Å; G972-L976 VanDerWaalsContact O-N 3.12Å; V973-L976 PolarHBondContact O-N 3.14Å; K974-L976 VanDerWaalsContact C-N 3.32Å; K974-L976 PolarHBondContact O-N 3.37Å; L976-D978 VanDerWaalsContact C-N 3.3Å; L976-D978 PolarHBondContact O-N 3.45Å; L976-A979 WeakPolarHBondContact O-CB 3.49Å; L976-A979 PolarHBondContact O-N 2.96Å; L976-L980 VanDerWaalsContact O-CG 3.31Å; L976-L980 WeakPolarHBondContact O-CG 3.24Å; L976-L980 PolarHBondContact O-N 3.49Å; L976-L992 HydrophobicContact CD1-CD2 4.4Å
977	C	97.2	Very high	94.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.007	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-38.3	175.4	-71.1	0	0	0	0	111.9	V973 K974 A979 L980 R981 D1004 A1008	V973-C977 WeakPolarHBondContact O-CB 3.49Å; V973-C977 PolarHBondContact O-N 3.36Å; V973-C977 PolarHBondContact O-SG 3.41Å; K974-C977 WeakPolarHBondContact O-CB 3.5Å; K974-C977 PolarHBondContact O-N 3.32Å; K974-C977 VanDerWaalsContact O-N 3.16Å; C977-A979 VanDerWaalsContact C-N 3.32Å; C977-A979 PolarHBondContact O-N 3.18Å; C977-L980 PolarHBondContact O-N 3.34Å; C977-R981 WeakPolarHBondContact O-CG 3.41Å; C977-R981 PolarHBondContact O-N 3.39Å; C977-D1004 HydrophobicContact CB-CB 3.94Å; C977-A1008 HydrophobicContact CB-CB 4.06Å
978	D	96.5	Very high	94.6	Very high	71 Å²	71	46 Å²	46	38%	0.38	23%	0.227	S	C	.	.	H	α-helix	trans	-60.7	-43.3	174.7	-67.8	0.7	0	0	0	111.1	K974 I975 L976 R981	K974-D978 VanDerWaalsContact O-CG 3.3Å; K974-D978 PolarHBondContact O-N 3.04Å; I975-D978 WeakPolarHBondContact O-CB 3.4Å; I975-D978 PolarHBondContact O-N 3.46Å; L976-D978 VanDerWaalsContact C-N 3.3Å; L976-D978 PolarHBondContact O-N 3.45Å; D978-R981 VanDerWaalsContact CG-NH2 3.31Å; D978-R981 PolarHBondContact O-N 3.4Å; D978-R981 IonicContact OD1-CZ 3.71Å; D978-R981 IonicContact OD1-NE 2.8Å; D978-R981 IonicContact OD1-NH2 3.79Å; D978-R981 PolarHBondContact OD1-NH2 3.35Å; D978-R981 IonicContact OD2-NH2 3.35Å
979	A	96.4	Very high	94.4	Very high	5 Å²	5	50 Å²	50	4%	0.041	24%	0.243	C	C	.	.	H	α-helix	trans	-66.9	-40.4	175	0	0	0	0	0	113.3	A949 I952 V953 I975 L976 C977 R981 Y982	A949-A979 HydrophobicContact CB-CB 3.73Å; I952-A979 HydrophobicContact CB-CB 4.01Å; I952-A979 HydrophobicContact CG2-CB 3.82Å; V953-A979 HydrophobicContact CG2-CB 3.82Å; I975-A979 PolarHBondContact O-N 2.77Å; L976-A979 WeakPolarHBondContact O-CB 3.49Å; L976-A979 PolarHBondContact O-N 2.96Å; C977-A979 VanDerWaalsContact C-N 3.32Å; C977-A979 PolarHBondContact O-N 3.18Å; A979-R981 PolarHBondContact O-N 3.33Å; A979-Y982 WeakPolarHBondContact O-CB 3.46Å; A979-Y982 PolarHBondContact O-N 2.89Å
980	L	96.1	Very high	94.3	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-23.4	178.1	-70.5	170.2	0	0	0	113	I952 L976 C977 Y982 I987 L990 A1008 N1012	I952-L980 HydrophobicContact CG2-CD2 4.12Å; L976-L980 VanDerWaalsContact O-CG 3.31Å; L976-L980 WeakPolarHBondContact O-CG 3.24Å; L976-L980 PolarHBondContact O-N 3.49Å; C977-L980 PolarHBondContact O-N 3.34Å; L980-Y982 PolarHBondContact O-N 3.28Å; L980-I987 HydrophobicContact CD2-CB 4.08Å; L980-I987 HydrophobicContact CD2-CG1 4.41Å; L980-I987 HydrophobicContact CD2-CG2 4.26Å; L980-L990 HydrophobicContact CD1-CD2 3.65Å; L980-A1008 HydrophobicContact CB-CB 4.17Å; L980-A1008 HydrophobicContact CD1-CB 4.43Å; L980-N1012 WeakPolarHBondContact O-CB 3.46Å; L980-N1012 PolarHBondContact O-ND2 3.26Å
981	R	94.6	Very high	94.2	Very high	104 Å²	104	45.1 Å²	45.1	39%	0.392	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.8	175.7	-70.2	-176.3	-70.2	164.7	-0.4	113	C977 D978 A979 A1008 C1011	C977-R981 WeakPolarHBondContact O-CG 3.41Å; C977-R981 PolarHBondContact O-N 3.39Å; D978-R981 VanDerWaalsContact CG-NH2 3.31Å; D978-R981 PolarHBondContact O-N 3.4Å; D978-R981 IonicContact OD1-CZ 3.71Å; D978-R981 IonicContact OD1-NE 2.8Å; D978-R981 IonicContact OD1-NH2 3.79Å; D978-R981 PolarHBondContact OD1-NH2 3.35Å; D978-R981 IonicContact OD2-NH2 3.35Å; A979-R981 PolarHBondContact O-N 3.33Å; R981-A1008 HydrophobicContact CG-CB 4.34Å; R981-C1011 HydrophobicContact CB-CB 4.34Å; R981-C1011 HydrophobicContact CG-CB 4.03Å
982	Y	92.3	Very high	94.1	Very high	118 Å²	118	40.2 Å²	40.2	46%	0.463	19%	0.193	S	C	.	.	S	Bend	trans	-69.7	133	-178.7	-142.2	-96.4	0	0	0	110.9	V953 A979 L980 N984 C985	V953-Y982 HydrophobicContact CG1-CD1 3.8Å; V953-Y982 HydrophobicContact CG1-CD2 4.4Å; V953-Y982 HydrophobicContact CG1-CE1 4.01Å; V953-Y982 HydrophobicContact CG1-CG 4.01Å; V953-Y982 HydrophobicContact CG2-CG 4.26Å; A979-Y982 WeakPolarHBondContact O-CB 3.46Å; A979-Y982 PolarHBondContact O-N 2.89Å; L980-Y982 PolarHBondContact O-N 3.28Å; Y982-N984 HydrophobicContact CD1-CB 4.47Å; Y982-N984 PolarHBondContact O-N 2.71Å; Y982-N984 VanDerWaalsContact O-N 3.09Å; Y982-C985 VanDerWaalsContact O-CB 3.22Å; Y982-C985 WeakPolarHBondContact O-CB 3.25Å; Y982-C985 PolarHBondContact O-N 3.2Å
983	P	85.8	Confident	93.9	Very high	110 Å²	110	40.7 Å²	40.7	71%	0.714	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.3	-172.8	-27	34.5	0	0	0	115.1
984	N	83.4	Confident	93.7	Very high	109 Å²	109	47.4 Å²	47.4	58%	0.583	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	1.1	-178.5	-65	-20.5	0	0	0	113.5	Y982 N986	Y982-N984 HydrophobicContact CD1-CB 4.47Å; Y982-N984 PolarHBondContact O-N 2.71Å; Y982-N984 VanDerWaalsContact O-N 3.09Å; N984-N986 PolarHBondContact O-N 2.87Å; N984-N986 PolarHBondContact O-ND2 3.05Å
985	C	89.8	Confident	93.6	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.014	20%	0.201	C	C	.	.			trans	-58	126	177.2	179.2	0	0	0	0	110.6	I952 Y982 R1014	I952-C985 VanDerWaalsContact CG2-SG 3.54Å; Y982-C985 VanDerWaalsContact O-CB 3.22Å; Y982-C985 WeakPolarHBondContact O-CB 3.25Å; Y982-C985 PolarHBondContact O-N 3.2Å; C985-R1014 WeakPolarHBondContact O-CD 3.33Å
986	N	90.6	Very high	93.4	Very high	29 Å²	29	42.4 Å²	42.4	16%	0.155	21%	0.208	C	C	.	.			trans	-98.6	-5.1	-177.4	-66.4	-54.2	0	0	0	114	N955 P956 L958 N984 Q988 R1014	N955-N986 PolarHBondContact O-ND2 3.37Å; P956-N986 VanDerWaalsContact C-ND2 3.32Å; P956-N986 VanDerWaalsContact CA-ND2 3.33Å; P956-N986 WeakPolarHBondContact CA-ND2 3.18Å; P956-N986 PolarHBondContact O-ND2 3.04Å; P956-N986 VanDerWaalsContact O-ND2 3.11Å; L958-N986 CarbonylContact O-C 3.33Å; L958-N986 VanDerWaalsContact O-CB 3.32Å; L958-N986 WeakPolarHBondContact O-CB 3.35Å; N984-N986 PolarHBondContact O-N 2.87Å; N984-N986 PolarHBondContact O-ND2 3.05Å; N986-Q988 PolarHBondContact O-N 3.26Å; N986-R1014 PolarHBondContact OD1-NH1 3Å
987	I	93.8	Very high	93.4	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	21%	0.208	C	C	.	.			trans	-63.6	124.6	-176.8	-57.8	-63.5	0	0	0	110.7	I952 L958 L961 L980 R989 L990 L1015	I952-I987 HydrophobicContact CG1-CG1 4.27Å; I952-I987 HydrophobicContact CG2-CG1 4.11Å; L958-I987 HydrophobicContact CB-CD1 4.37Å; L958-I987 HydrophobicContact CD2-CD1 3.98Å; L958-I987 HydrophobicContact CG-CD1 3.91Å; L961-I987 HydrophobicContact CB-CD1 4.26Å; L980-I987 HydrophobicContact CD2-CB 4.08Å; L980-I987 HydrophobicContact CD2-CG1 4.41Å; L980-I987 HydrophobicContact CD2-CG2 4.26Å; I987-R989 VanDerWaalsContact CG2-O 3.31Å; I987-R989 WeakPolarHBondContact CG2-O 3.25Å; I987-L990 HydrophobicContact CG2-CB 4.39Å; I987-L1015 HydrophobicContact CG2-CD1 3.95Å
988	Q	93.8	Very high	93.4	Very high	58 Å²	58	44.2 Å²	44.2	27%	0.271	22%	0.22	S	C	.	.			trans	-108.7	-25.3	175.9	-60.6	-179.7	12.5	0	0	112	R959 N986 R1014 I1016 K1017	R959-Q988 PolarHBondContact O-N 3.34Å; N986-Q988 PolarHBondContact O-N 3.26Å; Q988-R1014 WeakPolarHBondContact CA-O 3.4Å; Q988-I1016 PolarHBondContact O-N 3.38Å; Q988-K1017 PolarHBondContact O-N 2.9Å
989	R	93.6	Very high	93.3	Very high	86 Å²	86	42 Å²	42	33%	0.325	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.5	-179.3	-51.6	-179.8	-161.5	157.3	9.9	110	R959 S960 L961 I987 K1017	R959-R989 PolarHBondContact O-N 3.35Å; S960-R989 WeakPolarHBondContact OG-CB 3.49Å; L961-R989 PolarHBondContact N-O 3.42Å; L961-R989 VanDerWaalsContact N-O 3.08Å; I987-R989 VanDerWaalsContact CG2-O 3.31Å; I987-R989 WeakPolarHBondContact CG2-O 3.25Å; R989-K1017 WeakPolarHBondContact CA-O 3.18Å; R989-K1017 HydrophobicContact CB-CB 4.4Å; R989-K1017 HydrophobicContact CG-CB 4.14Å; R989-K1017 HydrophobicContact CG-CD 4.47Å; R989-K1017 HydrophobicContact CG-CG 4.38Å
990	L	95	Very high	93.3	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	119.6	178.8	-177.1	60.8	0	0	0	110.6	L961 L980 I987 L992 L1015 K1017 M1018 N1019	L961-L990 HydrophobicContact CB-CD1 4.41Å; L961-L990 HydrophobicContact CG-CD1 4.46Å; L961-L990 WeakPolarHBondContact O-CA 3.46Å; L961-L990 WeakPolarHBondContact O-CD1 3.32Å; L980-L990 HydrophobicContact CD1-CD2 3.65Å; I987-L990 HydrophobicContact CG2-CB 4.39Å; L990-L992 HydrophobicContact CD1-CG 4.44Å; L990-L992 HydrophobicContact CD2-CD1 3.84Å; L990-L992 HydrophobicContact CD2-CG 4.27Å; L990-L992 HydrophobicContact CG-CD1 4.12Å; L990-L992 HydrophobicContact CG-CG 4Å; L990-L1015 HydrophobicContact CB-CD1 3.96Å; L990-K1017 PolarHBondContact N-O 3.27Å; L990-M1018 HydrophobicContact CD2-CE 3.94Å; L990-M1018 CarbonylContact O-C 3.38Å; L990-M1018 VanDerWaalsContact O-CA 3.28Å; L990-M1018 WeakPolarHBondContact O-CA 3.33Å; L990-N1019 PolarHBondContact O-N 3.12Å
991	G	94.5	Very high	93.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.7	172.6	0	0	0	0	0	111.3	L961 D962 L963	L961-G991 PolarHBondContact O-N 3.42Å; D962-G991 WeakPolarHBondContact OD1-CA 3.34Å; L963-G991 PolarHBondContact N-O 3.41Å
992	L	95.6	Very high	93.4	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.218	C	C	.	.			trans	-136.8	31.7	176.8	-66.9	171.8	0	0	0	110.7	L963 L968 V973 L976 L990 C995 L997 L1005 N1019 L1020 N1023	L963-L992 HydrophobicContact CB-CD2 4.38Å; L963-L992 HydrophobicContact CD1-CD2 4.43Å; L968-L992 HydrophobicContact CD1-CD2 3.89Å; V973-L992 HydrophobicContact CG1-CD1 4.19Å; V973-L992 HydrophobicContact CG2-CD1 4.2Å; V973-L992 HydrophobicContact CG2-CD2 4.03Å; L976-L992 HydrophobicContact CD1-CD2 4.4Å; L990-L992 HydrophobicContact CD1-CG 4.44Å; L990-L992 HydrophobicContact CD2-CD1 3.84Å; L990-L992 HydrophobicContact CD2-CG 4.27Å; L990-L992 HydrophobicContact CG-CD1 4.12Å; L990-L992 HydrophobicContact CG-CG 4Å; L992-C995 VanDerWaalsContact CA-SG 3.55Å; L992-L997 HydrophobicContact CB-CD1 4.1Å; L992-L997 HydrophobicContact CD1-CD1 4.4Å; L992-L1005 HydrophobicContact CD1-CD2 4.42Å; L992-N1019 CarbonylContact C-O 3.58Å; L992-N1019 VanDerWaalsContact C-O 3.31Å; L992-N1019 WeakPolarHBondContact CA-O 3.49Å; L992-N1019 WeakPolarHBondContact CB-O 3.33Å; L992-N1019 PolarHBondContact N-O 2.68Å; L992-L1020 HydrophobicContact CB-CD2 4.03Å; L992-L1020 HydrophobicContact CD1-CD2 4.23Å; L992-N1023 PolarHBondContact O-ND2 2.71Å
993	E	92.4	Very high	93.5	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.047	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	138.7	175	168.8	158.5	-143.7	0	0	110.7	G964 N965 C995 N1019 T1021 Q1022	G964-E993 CarbonylContact C-O 3.53Å; G964-E993 WeakPolarHBondContact CA-O 3.37Å; N965-E993 PolarHBondContact N-O 3.32Å; E993-C995 VanDerWaalsContact C-N 3.25Å; E993-C995 PolarHBondContact O-N 2.85Å; E993-C995 VanDerWaalsContact O-N 3.13Å; E993-C995 PolarHBondContact O-SG 3Å; E993-N1019 PolarHBondContact N-O 3.48Å; E993-N1019 PolarHBondContact OE2-ND2 3.24Å; E993-N1019 VanDerWaalsContact OE2-ND2 3.14Å; E993-T1021 CarbonylContact C-O 3.42Å; E993-T1021 VanDerWaalsContact CA-O 3.29Å; E993-T1021 WeakPolarHBondContact CA-O 3.41Å; E993-T1021 VanDerWaalsContact CG-OG1 3.3Å; E993-T1021 WeakPolarHBondContact CG-OG1 3.28Å; E993-T1021 PolarHBondContact OE1-OG1 3.13Å; E993-T1021 PolarHBondContact OE2-OG1 3.46Å; E993-Q1022 HydrophobicContact CG-CB 4.35Å; E993-Q1022 HydrophobicContact CG-CG 4.36Å; E993-Q1022 VanDerWaalsContact OE1-CD 3.32Å; E993-Q1022 WeakPolarHBondContact OE1-CG 3.08Å; E993-Q1022 PolarHBondContact OE1-NE2 3.48Å
994	Y	92.6	Very high	94.1	Very high	142 Å²	142	38.1 Å²	38.1	56%	0.557	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.2	50.6	175.7	-166.1	-115.7	0	0	0	112.8	N965 T1021 Q1022	N965-Y994 HydrophobicContact CB-CD1 4.49Å; N965-Y994 VanDerWaalsContact OD1-CB 3.25Å; N965-Y994 WeakPolarHBondContact OD1-CB 3.42Å; N965-Y994 WeakPolarHBondContact OD1-CD1 3.39Å; Y994-T1021 PolarHBondContact N-O 3.49Å; Y994-Q1022 HydrophobicContact CD2-CB 4.12Å; Y994-Q1022 WeakPolarHBondContact CD2-O 3.25Å; Y994-Q1022 HydrophobicContact CG-CB 4.49Å
995	C	95.7	Very high	94.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-99.2	7.1	-176.5	-77.6	0	0	0	0	114.1	L963 N966 L968 Q969 L992 E993 L997 N1023	L963-C995 PolarHBondContact O-SG 3.1Å; N966-C995 CarbonylContact O-C 3.23Å; N966-C995 WeakPolarHBondContact O-CA 3.33Å; L968-C995 PolarHBondContact N-O 3.15Å; Q969-C995 PolarHBondContact N-O 3.21Å; L992-C995 VanDerWaalsContact CA-SG 3.55Å; E993-C995 VanDerWaalsContact C-N 3.25Å; E993-C995 PolarHBondContact O-N 2.85Å; E993-C995 VanDerWaalsContact O-N 3.13Å; E993-C995 PolarHBondContact O-SG 3Å; C995-L997 HydrophobicContact CB-CD1 4.24Å; C995-L997 HydrophobicContact CB-CD2 3.96Å; C995-L997 HydrophobicContact CB-CG 3.84Å; C995-N1023 PolarHBondContact N-OD1 3.02Å
996	G	95.1	Very high	95	Very high	37 Å²	37	33.1 Å²	33.1	38%	0.381	17%	0.168	S	C	.	.			trans	72.5	31.5	-173.8	0	0	0	0	0	113.3	N1023	G996-N1023 PolarHBondContact N-OD1 3.32Å
997	L	96.8	Very high	95.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.			trans	-87.8	140.6	-176.1	-47.8	-175.9	0	0	0	112.2	V973 L992 C995 L1020 N1023 T1024 L1025	V973-L997 HydrophobicContact CB-CD2 3.92Å; V973-L997 HydrophobicContact CG1-CD1 4.49Å; V973-L997 HydrophobicContact CG2-CD1 4.02Å; V973-L997 HydrophobicContact CG2-CD2 3.29Å; V973-L997 HydrophobicContact CG2-CG 4.28Å; L992-L997 HydrophobicContact CB-CD1 4.1Å; L992-L997 HydrophobicContact CD1-CD1 4.4Å; C995-L997 HydrophobicContact CB-CD1 4.24Å; C995-L997 HydrophobicContact CB-CD2 3.96Å; C995-L997 HydrophobicContact CB-CG 3.84Å; L997-L1020 HydrophobicContact CD1-CD2 4.14Å; L997-N1023 HydrophobicContact CB-CB 3.99Å; L997-N1023 WeakPolarHBondContact CB-OD1 3.48Å; L997-N1023 WeakPolarHBondContact CG-OD1 3.49Å; L997-N1023 PolarHBondContact N-OD1 3.22Å; L997-N1023 VanDerWaalsContact N-OD1 3.12Å; L997-T1024 CarbonylContact O-C 3.45Å; L997-T1024 PolarHBondContact O-N 3.4Å; L997-T1024 PolarHBondContact O-OG1 3.16Å; L997-L1025 HydrophobicContact CB-CD2 4.01Å
998	T	96.1	Very high	95.3	Very high	41 Å²	41	33.3 Å²	33.3	25%	0.252	17%	0.172	S	C	.	.	B	Isolated β-bridge	trans	-121.5	-171.6	179.8	80.7	0	0	0	0	112	D970 L1000 T1024	D970-T998 PolarHBondContact OD1-N 3.1Å; D970-T998 PolarHBondContact OD1-OG1 3.12Å; D970-T998 WeakPolarHBondContact OD2-CB 3.38Å; D970-T998 PolarHBondContact OD2-OG1 2.67Å; T998-L1000 PolarHBondContact O-N 2.97Å; T998-L1000 VanDerWaalsContact O-N 3.15Å; T998-L1000 PolarHBondContact OG1-N 3.33Å; T998-T1024 WeakPolarHBondContact CA-O 3.1Å
999	S	95.4	Very high	95.3	Very high	23 Å²	23	30.9 Å²	30.9	16%	0.161	16%	0.16	C	C	.	.	S	Bend	trans	-63.2	-15	175.9	72.2	0	0	0	0	113.9	L1025 E1028 K1032	S999-L1025 WeakPolarHBondContact CA-O 3.39Å; S999-L1025 VanDerWaalsContact CB-O 3.22Å; S999-L1025 WeakPolarHBondContact CB-O 3.24Å; S999-E1028 PolarHBondContact OG-OE2 3.19Å; S999-K1032 PolarHBondContact O-NZ 3.17Å
1000	L	96	Very high	95.2	Very high	118 Å²	118	30.2 Å²	30.2	62%	0.618	16%	0.162	S	C	*	.	S	Bend	trans	-69.9	-44.6	-176.1	-62.7	178.2	0	0	0	112	D970 T998 C1002	D970-L1000 HydrophobicContact CB-CB 4.28Å; T998-L1000 PolarHBondContact O-N 2.97Å; T998-L1000 VanDerWaalsContact O-N 3.15Å; T998-L1000 PolarHBondContact OG1-N 3.33Å; L1000-C1002 VanDerWaalsContact C-N 3.3Å; L1000-C1002 PolarHBondContact O-N 3.33Å
1001	C	95.9	Very high	95	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-12.7	-179	78.3	0	0	0	0	113.8	D970 V973 Q1003 D1004 L1005	D970-C1001 HydrophobicContact CB-CB 4.01Å; D970-C1001 VanDerWaalsContact OD1-CB 3.3Å; D970-C1001 WeakPolarHBondContact OD1-CB 3.48Å; D970-C1001 PolarHBondContact OD1-N 2.97Å; D970-C1001 PolarHBondContact OD1-SG 2.87Å; V973-C1001 HydrophobicContact CG1-CB 4.37Å; C1001-Q1003 PolarHBondContact O-N 3.16Å; C1001-Q1003 VanDerWaalsContact O-N 3.15Å; C1001-D1004 PolarHBondContact O-N 2.8Å; C1001-L1005 PolarHBondContact O-N 3.13Å
1002	C	96.6	Very high	94.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.4	-24.9	-175.5	-68.2	0	0	0	0	113.5	L1000 S1006 G1029 K1032 L1033	L1000-C1002 VanDerWaalsContact C-N 3.3Å; L1000-C1002 PolarHBondContact O-N 3.33Å; C1002-S1006 VanDerWaalsContact O-CB 3.28Å; C1002-S1006 WeakPolarHBondContact O-CB 3.33Å; C1002-S1006 PolarHBondContact O-N 2.96Å; C1002-S1006 PolarHBondContact O-OG 2.99Å; C1002-G1029 WeakPolarHBondContact SG-CA 3.02Å; C1002-K1032 HydrophobicContact CB-CB 4Å; C1002-K1032 HydrophobicContact CB-CD 3.99Å; C1002-L1033 HydrophobicContact CB-CG 4.32Å
1003	Q	95.8	Very high	94.4	Very high	105 Å²	105	38.9 Å²	38.9	49%	0.491	21%	0.21	S	C	.	.	H	α-helix	trans	-70.8	-40.6	173.7	-176.6	58.1	39.6	0	0	111.6	C1001 S1006 S1007 K1032	C1001-Q1003 PolarHBondContact O-N 3.16Å; C1001-Q1003 VanDerWaalsContact O-N 3.15Å; Q1003-S1006 PolarHBondContact O-N 2.81Å; Q1003-S1007 WeakPolarHBondContact O-CB 3.14Å; Q1003-S1007 PolarHBondContact O-N 3.34Å; Q1003-S1007 PolarHBondContact O-OG 3.13Å; Q1003-K1032 HydrophobicContact CB-CD 4.34Å
1004	D	97.4	Very high	94.4	Very high	34 Å²	34	43.8 Å²	43.8	18%	0.182	23%	0.228	C	C	.	.	H	α-helix	trans	-69.4	-44.4	177.1	-59.8	-59.5	0	0	0	110.7	K974 C977 C1001 S1006 S1007 A1008	K974-D1004 HydrophobicContact CG-CB 4.48Å; C977-D1004 HydrophobicContact CB-CB 3.94Å; C1001-D1004 PolarHBondContact O-N 2.8Å; D1004-S1006 VanDerWaalsContact C-N 3.33Å; D1004-S1006 PolarHBondContact O-N 2.76Å; D1004-S1007 WeakPolarHBondContact O-CB 3.25Å; D1004-S1007 PolarHBondContact O-N 3.16Å; D1004-S1007 VanDerWaalsContact O-N 3.13Å; D1004-A1008 PolarHBondContact O-N 3.25Å
1005	L	96.9	Very high	94.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.4	-46	172.3	-73.3	170	0	0	0	111.6	V973 L992 C1001 S1007 A1008 L1009 M1018 L1020 L1033	V973-L1005 HydrophobicContact CG1-CD2 3.97Å; V973-L1005 HydrophobicContact CG1-CG 4.26Å; L992-L1005 HydrophobicContact CD1-CD2 4.42Å; C1001-L1005 PolarHBondContact O-N 3.13Å; L1005-S1007 VanDerWaalsContact C-N 3.29Å; L1005-S1007 PolarHBondContact O-N 3.14Å; L1005-A1008 PolarHBondContact O-N 3.29Å; L1005-L1009 WeakPolarHBondContact O-CB 3.42Å; L1005-L1009 VanDerWaalsContact O-CG 3.31Å; L1005-L1009 WeakPolarHBondContact O-CG 3.13Å; L1005-L1009 PolarHBondContact O-N 2.79Å; L1005-M1018 HydrophobicContact CD2-CE 3.86Å; L1005-M1018 HydrophobicContact CD2-SD 4.13Å; L1005-L1020 HydrophobicContact CD1-CD1 4.19Å; L1005-L1020 HydrophobicContact CD1-CD2 4.24Å; L1005-L1033 HydrophobicContact CB-CD2 4.1Å
1006	S	95.9	Very high	94.2	Very high	7 Å²	7	39.5 Å²	39.5	5%	0.049	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-40.7	177.8	-62	0	0	0	0	111.8	C1002 Q1003 D1004 L1009 I1010 K1032	C1002-S1006 VanDerWaalsContact O-CB 3.28Å; C1002-S1006 WeakPolarHBondContact O-CB 3.33Å; C1002-S1006 PolarHBondContact O-N 2.96Å; C1002-S1006 PolarHBondContact O-OG 2.99Å; Q1003-S1006 PolarHBondContact O-N 2.81Å; D1004-S1006 VanDerWaalsContact C-N 3.33Å; D1004-S1006 PolarHBondContact O-N 2.76Å; S1006-L1009 PolarHBondContact O-N 3.41Å; S1006-I1010 WeakPolarHBondContact O-CG1 3.31Å; S1006-I1010 PolarHBondContact O-N 3.09Å; S1006-K1032 PolarHBondContact OG-O 2.72Å
1007	S	94.5	Very high	94.1	Very high	32 Å²	32	40.5 Å²	40.5	22%	0.224	21%	0.208	C	C	.	.	H	α-helix	trans	-66.9	-40.8	178.2	-56.7	0	0	0	0	111.6	Q1003 D1004 L1005 I1010 C1011	Q1003-S1007 WeakPolarHBondContact O-CB 3.14Å; Q1003-S1007 PolarHBondContact O-N 3.34Å; Q1003-S1007 PolarHBondContact O-OG 3.13Å; D1004-S1007 WeakPolarHBondContact O-CB 3.25Å; D1004-S1007 PolarHBondContact O-N 3.16Å; D1004-S1007 VanDerWaalsContact O-N 3.13Å; L1005-S1007 VanDerWaalsContact C-N 3.29Å; L1005-S1007 PolarHBondContact O-N 3.14Å; S1007-I1010 PolarHBondContact O-N 3.22Å; S1007-C1011 PolarHBondContact O-N 3.37Å; S1007-C1011 PolarHBondContact O-SG 3.41Å
1008	A	95.3	Very high	94	Very high	3 Å²	3	40.6 Å²	40.6	3%	0.025	21%	0.209	C	C	.	.	H	α-helix	trans	-62.8	-45.8	174.8	0	0	0	0	0	112	C977 L980 R981 D1004 L1005 I1010 C1011 N1012	C977-A1008 HydrophobicContact CB-CB 4.06Å; L980-A1008 HydrophobicContact CB-CB 4.17Å; L980-A1008 HydrophobicContact CD1-CB 4.43Å; R981-A1008 HydrophobicContact CG-CB 4.34Å; D1004-A1008 PolarHBondContact O-N 3.25Å; L1005-A1008 PolarHBondContact O-N 3.29Å; A1008-I1010 VanDerWaalsContact C-N 3.29Å; A1008-I1010 PolarHBondContact O-N 3.06Å; A1008-C1011 PolarHBondContact O-N 3.11Å; A1008-N1012 WeakPolarHBondContact O-CB 3.32Å; A1008-N1012 PolarHBondContact O-N 2.88Å
1009	L	94.1	Very high	93.8	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-64.8	-28.1	179.9	-72.9	170.8	0	0	0	114	L1005 S1006 L1015 M1018 L1033 V1036 L1037 L1044	L1005-L1009 WeakPolarHBondContact O-CB 3.42Å; L1005-L1009 VanDerWaalsContact O-CG 3.31Å; L1005-L1009 WeakPolarHBondContact O-CG 3.13Å; L1005-L1009 PolarHBondContact O-N 2.79Å; S1006-L1009 PolarHBondContact O-N 3.41Å; L1009-L1015 HydrophobicContact CD2-CD2 3.81Å; L1009-M1018 HydrophobicContact CD2-CE 4.46Å; L1009-L1033 HydrophobicContact CD1-CD2 4.4Å; L1009-V1036 HydrophobicContact CB-CG2 3.78Å; L1009-V1036 HydrophobicContact CD1-CG1 4.18Å; L1009-L1037 HydrophobicContact CD1-CD2 4.43Å; L1009-L1044 HydrophobicContact CD2-CB 4.48Å; L1009-L1044 HydrophobicContact CD2-CD1 4.2Å; L1009-L1044 HydrophobicContact CD2-CD2 4.32Å
1010	I	91.4	Very high	93.7	Very high	72 Å²	72	37.7 Å²	37.7	37%	0.369	19%	0.19	S	C	.	.	H	α-helix	trans	-75.4	-41.7	175.2	-69.1	170.5	0	0	0	111.1	S1006 S1007 A1008 Q1013 V1036	S1006-I1010 WeakPolarHBondContact O-CG1 3.31Å; S1006-I1010 PolarHBondContact O-N 3.09Å; S1007-I1010 PolarHBondContact O-N 3.22Å; A1008-I1010 VanDerWaalsContact C-N 3.29Å; A1008-I1010 PolarHBondContact O-N 3.06Å; I1010-Q1013 PolarHBondContact O-NE2 3.39Å; I1010-Q1013 VanDerWaalsContact O-NE2 3.16Å; I1010-V1036 HydrophobicContact CD1-CB 4.29Å; I1010-V1036 HydrophobicContact CD1-CG2 4.15Å; I1010-V1036 HydrophobicContact CG1-CB 4.09Å; I1010-V1036 HydrophobicContact CG1-CG2 3.41Å; I1010-V1036 VanDerWaalsContact CG1-CG2 3.41Å
1011	C	90.4	Very high	93.5	Very high	72 Å²	72	32.3 Å²	32.3	49%	0.486	16%	0.162	S	C	.	.	H	α-helix	trans	-81.6	-40.7	-174.8	-67.1	0	0	0	0	112.3	R981 S1007 A1008 Q1013	R981-C1011 HydrophobicContact CB-CB 4.34Å; R981-C1011 HydrophobicContact CG-CB 4.03Å; S1007-C1011 PolarHBondContact O-N 3.37Å; S1007-C1011 PolarHBondContact O-SG 3.41Å; A1008-C1011 PolarHBondContact O-N 3.11Å; C1011-Q1013 PolarHBondContact O-N 3.23Å
1012	N	89.1	Confident	93.2	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.053	19%	0.19	C	C	.	.			trans	-76.7	120.4	-176	-169.1	-55.7	0	0	0	110.8	L980 A1008 R1014 L1015	L980-N1012 WeakPolarHBondContact O-CB 3.46Å; L980-N1012 PolarHBondContact O-ND2 3.26Å; A1008-N1012 WeakPolarHBondContact O-CB 3.32Å; A1008-N1012 PolarHBondContact O-N 2.88Å; N1012-R1014 WeakPolarHBondContact OD1-CA 3.02Å; N1012-R1014 PolarHBondContact OD1-N 3.16Å; N1012-L1015 PolarHBondContact OD1-N 3.17Å
1013	Q	89.2	Confident	93	Very high	103 Å²	103	39.1 Å²	39.1	48%	0.481	19%	0.194	S	C	.	.	S	Bend	trans	-97.7	2.2	-178	-61.2	-57.2	-57.9	0	0	113.7	I1010 C1011	I1010-Q1013 PolarHBondContact O-NE2 3.39Å; I1010-Q1013 VanDerWaalsContact O-NE2 3.16Å; C1011-Q1013 PolarHBondContact O-N 3.23Å
1014	R	91.9	Very high	92.9	Very high	114 Å²	114	39.1 Å²	39.1	43%	0.43	20%	0.201	S	C	.	.	S	Bend	trans	-113.7	-23.2	-175.2	-61	-162	-174.8	-169.5	8.6	114	C985 N986 Q988 N1012 I1016	C985-R1014 WeakPolarHBondContact O-CD 3.33Å; N986-R1014 PolarHBondContact OD1-NH1 3Å; Q988-R1014 WeakPolarHBondContact CA-O 3.4Å; N1012-R1014 WeakPolarHBondContact OD1-CA 3.02Å; N1012-R1014 PolarHBondContact OD1-N 3.16Å; R1014-I1016 WeakPolarHBondContact O-CG1 3.5Å; R1014-I1016 PolarHBondContact O-N 2.8Å
1015	L	92.8	Very high	92.7	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	19%	0.193	C	C	.	.			trans	-68.9	114.1	179.3	-168.3	74.4	0	0	0	110.4	I987 L990 L1009 N1012 M1018 L1044	I987-L1015 HydrophobicContact CG2-CD1 3.95Å; L990-L1015 HydrophobicContact CB-CD1 3.96Å; L1009-L1015 HydrophobicContact CD2-CD2 3.81Å; N1012-L1015 PolarHBondContact OD1-N 3.17Å; L1015-M1018 HydrophobicContact CD2-CB 4.47Å; L1015-M1018 HydrophobicContact CD2-CE 3.52Å; L1015-L1044 HydrophobicContact CD2-CD1 4.43Å; L1015-L1044 HydrophobicContact CG-CD1 4.3Å
1016	I	91.6	Very high	92.5	Very high	47 Å²	47	39.2 Å²	39.2	24%	0.241	21%	0.21	C	C	.	.			trans	-109.6	-30.1	-175	-67.9	158.7	0	0	0	110.9	Q988 R1014 L1044 Q1045 V1046	Q988-I1016 PolarHBondContact O-N 3.38Å; R1014-I1016 WeakPolarHBondContact O-CG1 3.5Å; R1014-I1016 PolarHBondContact O-N 2.8Å; I1016-L1044 WeakPolarHBondContact O-CD1 3.38Å; I1016-Q1045 HydrophobicContact CG2-CB 3.75Å; I1016-Q1045 VanDerWaalsContact CG2-CD 3.42Å; I1016-Q1045 HydrophobicContact CG2-CG 3.73Å; I1016-Q1045 PolarHBondContact O-N 3.43Å; I1016-V1046 PolarHBondContact O-N 3.03Å; I1016-V1046 VanDerWaalsContact O-N 3.08Å
1017	K	92.8	Very high	92.3	Very high	59 Å²	59	43.6 Å²	43.6	26%	0.257	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137.4	178.7	-53.1	-166.7	176.7	179.4	0	111.9	Q988 R989 L990 V1046	Q988-K1017 PolarHBondContact O-N 2.9Å; R989-K1017 WeakPolarHBondContact CA-O 3.18Å; R989-K1017 HydrophobicContact CB-CB 4.4Å; R989-K1017 HydrophobicContact CG-CB 4.14Å; R989-K1017 HydrophobicContact CG-CD 4.47Å; R989-K1017 HydrophobicContact CG-CG 4.38Å; L990-K1017 PolarHBondContact N-O 3.27Å; K1017-V1046 WeakPolarHBondContact CA-O 3.5Å; K1017-V1046 HydrophobicContact CB-CB 4.37Å; K1017-V1046 HydrophobicContact CD-CB 4.24Å; K1017-V1046 HydrophobicContact CD-CG2 4.26Å; K1017-V1046 HydrophobicContact CG-CB 3.95Å; K1017-V1046 HydrophobicContact CG-CG2 4.2Å
1018	M	94.1	Very high	92.2	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	131.8	174.6	-177.7	178	-93.3	0	0	109.3	L990 L1005 L1009 L1015 L1020 L1044 V1046 L1047 G1048	L990-M1018 HydrophobicContact CD2-CE 3.94Å; L990-M1018 CarbonylContact O-C 3.38Å; L990-M1018 VanDerWaalsContact O-CA 3.28Å; L990-M1018 WeakPolarHBondContact O-CA 3.33Å; L1005-M1018 HydrophobicContact CD2-CE 3.86Å; L1005-M1018 HydrophobicContact CD2-SD 4.13Å; L1009-M1018 HydrophobicContact CD2-CE 4.46Å; L1015-M1018 HydrophobicContact CD2-CB 4.47Å; L1015-M1018 HydrophobicContact CD2-CE 3.52Å; M1018-L1020 HydrophobicContact CG-CD2 4.15Å; M1018-L1020 HydrophobicContact CG-CG 4.03Å; M1018-L1020 HydrophobicContact SD-CD1 4.08Å; M1018-L1020 HydrophobicContact SD-CD2 4.11Å; M1018-L1020 HydrophobicContact SD-CG 4.11Å; M1018-L1044 HydrophobicContact CB-CD1 3.9Å; M1018-L1044 HydrophobicContact CB-CD2 4.42Å; M1018-V1046 PolarHBondContact N-O 3.17Å; M1018-V1046 VanDerWaalsContact N-O 3.07Å; M1018-L1047 HydrophobicContact CB-CD1 4.3Å; M1018-L1047 WeakPolarHBondContact O-CA 3.37Å; M1018-G1048 PolarHBondContact O-N 3.43Å
1019	N	92.2	Very high	92.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.7	173.1	-171.4	9.3	0	0	0	110.1	L990 L992 E993 T1021 C1078	L990-N1019 PolarHBondContact O-N 3.12Å; L992-N1019 CarbonylContact C-O 3.58Å; L992-N1019 VanDerWaalsContact C-O 3.31Å; L992-N1019 WeakPolarHBondContact CA-O 3.49Å; L992-N1019 WeakPolarHBondContact CB-O 3.33Å; L992-N1019 PolarHBondContact N-O 2.68Å; E993-N1019 PolarHBondContact N-O 3.48Å; E993-N1019 PolarHBondContact OE2-ND2 3.24Å; E993-N1019 VanDerWaalsContact OE2-ND2 3.14Å; N1019-T1021 PolarHBondContact ND2-OG1 3.23Å; N1019-T1021 WeakPolarHBondContact OD1-CG2 3.37Å; N1019-T1021 PolarHBondContact OD1-N 2.95Å; N1019-T1021 PolarHBondContact OD1-OG1 3.3Å; N1019-C1078 HydrophobicContact CB-CB 3.82Å; N1019-C1078 WeakPolarHBondContact ND2-CB 3.42Å; N1019-C1078 WeakPolarHBondContact OD1-CB 3.28Å
1020	L	94.6	Very high	92.3	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.016	24%	0.236	C	C	.	.			trans	-123.3	14.8	176.8	-62.5	178.7	0	0	0	111.7	L992 L997 L1005 M1018 N1023 L1025 L1033 L1047 G1048 L1049	L992-L1020 HydrophobicContact CB-CD2 4.03Å; L992-L1020 HydrophobicContact CD1-CD2 4.23Å; L997-L1020 HydrophobicContact CD1-CD2 4.14Å; L1005-L1020 HydrophobicContact CD1-CD1 4.19Å; L1005-L1020 HydrophobicContact CD1-CD2 4.24Å; M1018-L1020 HydrophobicContact CG-CD2 4.15Å; M1018-L1020 HydrophobicContact CG-CG 4.03Å; M1018-L1020 HydrophobicContact SD-CD1 4.08Å; M1018-L1020 HydrophobicContact SD-CD2 4.11Å; M1018-L1020 HydrophobicContact SD-CG 4.11Å; L1020-N1023 PolarHBondContact O-ND2 3.09Å; L1020-L1025 HydrophobicContact CB-CD1 4.45Å; L1020-L1025 HydrophobicContact CD1-CD1 4.24Å; L1020-L1033 HydrophobicContact CD1-CD1 4.14Å; L1020-L1047 HydrophobicContact CD1-CD1 4.07Å; L1020-L1047 HydrophobicContact CG-CD1 4.27Å; L1020-G1048 CarbonylContact C-O 3.59Å; L1020-G1048 WeakPolarHBondContact CA-O 3.32Å; L1020-G1048 PolarHBondContact N-O 3.36Å; L1020-L1049 HydrophobicContact CB-CD2 3.68Å; L1020-L1049 HydrophobicContact CB-CG 4.34Å
1021	T	90.9	Very high	92.4	Very high	5 Å²	5	46 Å²	46	3%	0.031	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	155.4	-179.4	51.2	0	0	0	0	111.7	E993 Y994 N1019 N1023 G1048 P1076	E993-T1021 CarbonylContact C-O 3.42Å; E993-T1021 VanDerWaalsContact CA-O 3.29Å; E993-T1021 WeakPolarHBondContact CA-O 3.41Å; E993-T1021 VanDerWaalsContact CG-OG1 3.3Å; E993-T1021 WeakPolarHBondContact CG-OG1 3.28Å; E993-T1021 PolarHBondContact OE1-OG1 3.13Å; E993-T1021 PolarHBondContact OE2-OG1 3.46Å; Y994-T1021 PolarHBondContact N-O 3.49Å; N1019-T1021 PolarHBondContact ND2-OG1 3.23Å; N1019-T1021 WeakPolarHBondContact OD1-CG2 3.37Å; N1019-T1021 PolarHBondContact OD1-N 2.95Å; N1019-T1021 PolarHBondContact OD1-OG1 3.3Å; T1021-N1023 PolarHBondContact O-N 3.24Å; T1021-N1023 VanDerWaalsContact O-N 3.11Å; T1021-N1023 PolarHBondContact O-ND2 3.45Å; T1021-G1048 PolarHBondContact N-O 3.3Å; T1021-P1076 WeakPolarHBondContact CG2-O 3.49Å
1022	Q	89	Confident	92.6	Very high	126 Å²	126	44.5 Å²	44.5	59%	0.589	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	24.7	177	-49.7	-172.7	31	0	0	115.2	E993 Y994	E993-Q1022 HydrophobicContact CG-CB 4.35Å; E993-Q1022 HydrophobicContact CG-CG 4.36Å; E993-Q1022 VanDerWaalsContact OE1-CD 3.32Å; E993-Q1022 WeakPolarHBondContact OE1-CG 3.08Å; E993-Q1022 PolarHBondContact OE1-NE2 3.48Å; Y994-Q1022 HydrophobicContact CD2-CB 4.12Å; Y994-Q1022 WeakPolarHBondContact CD2-O 3.25Å; Y994-Q1022 HydrophobicContact CG-CB 4.49Å
1023	N	93.4	Very high	92.9	Very high	18 Å²	18	44.1 Å²	44.1	10%	0.096	22%	0.216	C	C	.	.			trans	-104.3	159.4	169.6	-69.6	-69.6	0	0	0	111.9	L992 C995 G996 L997 L1020 T1021 L1025	L992-N1023 PolarHBondContact O-ND2 2.71Å; C995-N1023 PolarHBondContact N-OD1 3.02Å; G996-N1023 PolarHBondContact N-OD1 3.32Å; L997-N1023 HydrophobicContact CB-CB 3.99Å; L997-N1023 WeakPolarHBondContact CB-OD1 3.48Å; L997-N1023 WeakPolarHBondContact CG-OD1 3.49Å; L997-N1023 PolarHBondContact N-OD1 3.22Å; L997-N1023 VanDerWaalsContact N-OD1 3.12Å; L1020-N1023 PolarHBondContact O-ND2 3.09Å; T1021-N1023 PolarHBondContact O-N 3.24Å; T1021-N1023 VanDerWaalsContact O-N 3.11Å; T1021-N1023 PolarHBondContact O-ND2 3.45Å; N1023-L1025 HydrophobicContact CB-CD2 3.99Å; N1023-L1025 HydrophobicContact CB-CG 4.17Å; N1023-L1025 PolarHBondContact O-N 3.11Å
1024	T	92.7	Very high	93.1	Very high	105 Å²	105	41.4 Å²	41.4	64%	0.644	20%	0.201	S	C	*	.	B	Isolated β-bridge	trans	-98.8	53.1	-175.2	49.9	0	0	0	0	112.1	L997 T998 G1026	L997-T1024 CarbonylContact O-C 3.45Å; L997-T1024 PolarHBondContact O-N 3.4Å; L997-T1024 PolarHBondContact O-OG1 3.16Å; T998-T1024 WeakPolarHBondContact CA-O 3.1Å; T1024-G1026 VanDerWaalsContact C-N 3.31Å; T1024-G1026 PolarHBondContact O-N 3.44Å
1025	L	94.5	Very high	93	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.209	C	C	.	.			trans	-67.2	-28.9	-174.3	-51.7	-177.6	0	0	0	113.9	L997 S999 L1020 N1023 G1029 I1030 L1033 L1049 F1054	L997-L1025 HydrophobicContact CB-CD2 4.01Å; S999-L1025 WeakPolarHBondContact CA-O 3.39Å; S999-L1025 VanDerWaalsContact CB-O 3.22Å; S999-L1025 WeakPolarHBondContact CB-O 3.24Å; L1020-L1025 HydrophobicContact CB-CD1 4.45Å; L1020-L1025 HydrophobicContact CD1-CD1 4.24Å; N1023-L1025 HydrophobicContact CB-CD2 3.99Å; N1023-L1025 HydrophobicContact CB-CG 4.17Å; N1023-L1025 PolarHBondContact O-N 3.11Å; L1025-G1029 WeakPolarHBondContact O-CA 3.27Å; L1025-G1029 PolarHBondContact O-N 2.87Å; L1025-I1030 HydrophobicContact CD1-CD1 4.49Å; L1025-L1033 HydrophobicContact CD1-CD1 4.01Å; L1025-L1049 HydrophobicContact CD1-CD2 3.89Å; L1025-F1054 HydrophobicContact CB-CE1 4.28Å
1026	G	91.2	Very high	93	Very high	35 Å²	35	42.4 Å²	42.4	36%	0.361	21%	0.209	S	C	.	.	H	α-helix	trans	60.5	178.7	-178.2	0	0	0	0	0	114.9	T1024 E1028 G1029 I1030	T1024-G1026 VanDerWaalsContact C-N 3.31Å; T1024-G1026 PolarHBondContact O-N 3.44Å; G1026-E1028 VanDerWaalsContact C-N 3.32Å; G1026-E1028 PolarHBondContact O-N 2.94Å; G1026-G1029 PolarHBondContact O-N 3.01Å; G1026-I1030 WeakPolarHBondContact O-CG1 3.44Å; G1026-I1030 PolarHBondContact O-N 3.38Å; G1026-I1030 VanDerWaalsContact O-N 3.11Å
1027	Y	92.4	Very high	93.1	Very high	99 Å²	99	40.2 Å²	40.2	39%	0.388	20%	0.198	S	C	.	.	H	α-helix	trans	-56.7	-43	178.2	171	-100.6	0	0	0	112.8	G1029 I1030 M1031 E1057 A1058 L1061	Y1027-G1029 VanDerWaalsContact C-N 3.35Å; Y1027-G1029 PolarHBondContact O-N 3.29Å; Y1027-I1030 PolarHBondContact O-N 3.27Å; Y1027-M1031 HydrophobicContact CD1-CG 4.25Å; Y1027-M1031 HydrophobicContact CD2-CG 4.32Å; Y1027-M1031 HydrophobicContact CE1-CG 3.72Å; Y1027-M1031 HydrophobicContact CE2-CG 3.77Å; Y1027-M1031 HydrophobicContact CE2-SD 4.45Å; Y1027-M1031 VanDerWaalsContact CZ-CG 3.45Å; Y1027-M1031 WeakPolarHBondContact O-CB 3.45Å; Y1027-M1031 PolarHBondContact O-N 2.85Å; Y1027-E1057 HydrophobicContact CD2-CB 3.95Å; Y1027-E1057 HydrophobicContact CE2-CB 3.67Å; Y1027-A1058 HydrophobicContact CD2-CB 4.12Å; Y1027-L1061 HydrophobicContact CD2-CD1 4.43Å; Y1027-L1061 HydrophobicContact CE2-CD1 3.79Å
1028	E	93.2	Very high	93.1	Very high	101 Å²	101	41.6 Å²	41.6	47%	0.472	20%	0.204	S	C	.	.	H	α-helix	trans	-62.4	-40.9	-179	-165.1	-153.9	155.3	0	0	112.2	S999 G1026 M1031 K1032	S999-E1028 PolarHBondContact OG-OE2 3.19Å; G1026-E1028 VanDerWaalsContact C-N 3.32Å; G1026-E1028 PolarHBondContact O-N 2.94Å; E1028-M1031 PolarHBondContact O-N 3.04Å; E1028-K1032 WeakPolarHBondContact O-CG 3.36Å; E1028-K1032 PolarHBondContact O-N 2.82Å; E1028-K1032 VanDerWaalsContact OE1-CE 3.23Å; E1028-K1032 WeakPolarHBondContact OE1-CE 3.42Å; E1028-K1032 IonicContact OE1-NZ 3.95Å; E1028-K1032 PolarHBondContact OE1-NZ 3.32Å
1029	G	94.5	Very high	92.8	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.8	-45.7	176	0	0	0	0	0	112.2	C1002 L1025 G1026 Y1027 M1031 K1032 L1033	C1002-G1029 WeakPolarHBondContact SG-CA 3.02Å; L1025-G1029 WeakPolarHBondContact O-CA 3.27Å; L1025-G1029 PolarHBondContact O-N 2.87Å; G1026-G1029 PolarHBondContact O-N 3.01Å; Y1027-G1029 VanDerWaalsContact C-N 3.35Å; Y1027-G1029 PolarHBondContact O-N 3.29Å; G1029-M1031 VanDerWaalsContact C-N 3.3Å; G1029-M1031 PolarHBondContact O-N 3.29Å; G1029-K1032 PolarHBondContact O-N 2.97Å; G1029-K1032 VanDerWaalsContact O-N 3.14Å; G1029-L1033 PolarHBondContact O-N 2.98Å
1030	I	95.9	Very high	92.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-39.6	175.5	-64.2	-53.8	0	0	0	111.4	L1025 G1026 Y1027 K1032 L1033 Y1034 L1049 F1054 A1058 L1061 L1062	L1025-I1030 HydrophobicContact CD1-CD1 4.49Å; G1026-I1030 WeakPolarHBondContact O-CG1 3.44Å; G1026-I1030 PolarHBondContact O-N 3.38Å; G1026-I1030 VanDerWaalsContact O-N 3.11Å; Y1027-I1030 PolarHBondContact O-N 3.27Å; I1030-K1032 VanDerWaalsContact C-N 3.32Å; I1030-K1032 PolarHBondContact O-N 2.98Å; I1030-L1033 PolarHBondContact O-N 3.23Å; I1030-Y1034 WeakPolarHBondContact O-CB 3.21Å; I1030-Y1034 PolarHBondContact O-N 3.04Å; I1030-L1049 HydrophobicContact CD1-CD1 4.15Å; I1030-F1054 HydrophobicContact CD1-CD1 4.33Å; I1030-F1054 HydrophobicContact CD1-CE1 3.81Å; I1030-F1054 HydrophobicContact CD1-CE2 4.13Å; I1030-F1054 HydrophobicContact CD1-CZ 3.71Å; I1030-F1054 HydrophobicContact CG1-CD1 3.75Å; I1030-F1054 HydrophobicContact CG1-CE1 3.64Å; I1030-F1054 HydrophobicContact CG1-CG 4.26Å; I1030-F1054 HydrophobicContact CG1-CZ 4.06Å; I1030-A1058 HydrophobicContact CB-CB 4.24Å; I1030-A1058 HydrophobicContact CG1-CB 4.35Å; I1030-A1058 HydrophobicContact CG2-CB 4.08Å; I1030-L1061 HydrophobicContact CG2-CB 4.37Å; I1030-L1061 HydrophobicContact CG2-CD1 4.43Å; I1030-L1062 HydrophobicContact CD1-CD1 4.42Å; I1030-L1062 HydrophobicContact CD1-CD2 4.4Å; I1030-L1062 HydrophobicContact CG2-CD1 4.36Å; I1030-L1062 HydrophobicContact CG2-CD2 3.95Å; I1030-L1062 HydrophobicContact CG2-CG 3.88Å
1031	M	94.6	Very high	92	Very high	62 Å²	62	54.5 Å²	54.5	31%	0.305	28%	0.275	S	S	.	.	H	α-helix	trans	-59.9	-38.4	174.7	-89.2	-70.4	-86.6	0	0	113.3	Y1027 E1028 G1029 L1061	Y1027-M1031 HydrophobicContact CD1-CG 4.25Å; Y1027-M1031 HydrophobicContact CD2-CG 4.32Å; Y1027-M1031 HydrophobicContact CE1-CG 3.72Å; Y1027-M1031 HydrophobicContact CE2-CG 3.77Å; Y1027-M1031 HydrophobicContact CE2-SD 4.45Å; Y1027-M1031 VanDerWaalsContact CZ-CG 3.45Å; Y1027-M1031 WeakPolarHBondContact O-CB 3.45Å; Y1027-M1031 PolarHBondContact O-N 2.85Å; E1028-M1031 PolarHBondContact O-N 3.04Å; G1029-M1031 VanDerWaalsContact C-N 3.3Å; G1029-M1031 PolarHBondContact O-N 3.29Å; M1031-L1061 HydrophobicContact CG-CD1 3.57Å; M1031-L1061 HydrophobicContact SD-CD1 3.25Å; M1031-L1061 WeakPolarHBondContact SD-CD1 3.41Å; M1031-L1061 HydrophobicContact SD-CD2 3.96Å; M1031-L1061 HydrophobicContact SD-CG 4.25Å
1032	K	94	Very high	91.9	Very high	41 Å²	41	54.7 Å²	54.7	18%	0.178	28%	0.276	C	S	.	.	H	α-helix	trans	-67.9	-49.1	175	-69.3	169	-172.4	165.9	0	110.8	S999 C1002 Q1003 S1006 E1028 G1029 I1030 Y1034 K1035	S999-K1032 PolarHBondContact O-NZ 3.17Å; C1002-K1032 HydrophobicContact CB-CB 4Å; C1002-K1032 HydrophobicContact CB-CD 3.99Å; Q1003-K1032 HydrophobicContact CB-CD 4.34Å; S1006-K1032 PolarHBondContact OG-O 2.72Å; E1028-K1032 WeakPolarHBondContact O-CG 3.36Å; E1028-K1032 PolarHBondContact O-N 2.82Å; E1028-K1032 VanDerWaalsContact OE1-CE 3.23Å; E1028-K1032 WeakPolarHBondContact OE1-CE 3.42Å; E1028-K1032 IonicContact OE1-NZ 3.95Å; E1028-K1032 PolarHBondContact OE1-NZ 3.32Å; G1029-K1032 PolarHBondContact O-N 2.97Å; G1029-K1032 VanDerWaalsContact O-N 3.14Å; I1030-K1032 VanDerWaalsContact C-N 3.32Å; I1030-K1032 PolarHBondContact O-N 2.98Å; K1032-Y1034 PolarHBondContact O-N 2.78Å; K1032-K1035 PolarHBondContact O-N 3.03Å
1033	L	95.3	Very high	92	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-42.2	179.2	-68.5	175.4	0	0	0	112.3	C1002 L1005 L1009 L1020 L1025 G1029 I1030 K1035 V1036 L1037	C1002-L1033 HydrophobicContact CB-CG 4.32Å; L1005-L1033 HydrophobicContact CB-CD2 4.1Å; L1009-L1033 HydrophobicContact CD1-CD2 4.4Å; L1020-L1033 HydrophobicContact CD1-CD1 4.14Å; L1025-L1033 HydrophobicContact CD1-CD1 4.01Å; G1029-L1033 PolarHBondContact O-N 2.98Å; I1030-L1033 PolarHBondContact O-N 3.23Å; L1033-K1035 PolarHBondContact O-N 3.3Å; L1033-K1035 VanDerWaalsContact O-N 3.09Å; L1033-V1036 WeakPolarHBondContact O-CG1 3.48Å; L1033-V1036 PolarHBondContact O-N 3.47Å; L1033-L1037 HydrophobicContact CB-CD1 4.22Å; L1033-L1037 VanDerWaalsContact O-CG 3.28Å; L1033-L1037 WeakPolarHBondContact O-CG 3.45Å; L1033-L1037 PolarHBondContact O-N 2.82Å
1034	Y	93.5	Very high	91.9	Very high	46 Å²	46	52.6 Å²	52.6	18%	0.18	27%	0.265	C	S	.	.	H	α-helix	trans	-49	-41.2	177.3	163.8	-102.1	0	0	0	112.5	I1030 K1032 V1036 L1037 K1038 L1061 A1064 V1065	I1030-Y1034 WeakPolarHBondContact O-CB 3.21Å; I1030-Y1034 PolarHBondContact O-N 3.04Å; K1032-Y1034 PolarHBondContact O-N 2.78Å; Y1034-V1036 VanDerWaalsContact C-N 3.35Å; Y1034-V1036 PolarHBondContact O-N 2.73Å; Y1034-L1037 PolarHBondContact O-N 3.33Å; Y1034-K1038 HydrophobicContact CE1-CD 4.1Å; Y1034-K1038 HydrophobicContact CE2-CD 4.35Å; Y1034-K1038 WeakPolarHBondContact O-CG 3.35Å; Y1034-K1038 PolarHBondContact O-N 3.36Å; Y1034-L1061 HydrophobicContact CD1-CD2 4.1Å; Y1034-L1061 HydrophobicContact CD2-CB 4.05Å; Y1034-L1061 HydrophobicContact CD2-CD2 4.21Å; Y1034-L1061 WeakPolarHBondContact CD2-O 3.45Å; Y1034-L1061 HydrophobicContact CE1-CD2 4.2Å; Y1034-L1061 HydrophobicContact CE2-CD2 4.32Å; Y1034-L1061 HydrophobicContact CG-CB 4.26Å; Y1034-L1061 HydrophobicContact CG-CD2 4.12Å; Y1034-A1064 HydrophobicContact CE2-CB 4.18Å; Y1034-V1065 HydrophobicContact CD2-CG2 3.7Å; Y1034-V1065 HydrophobicContact CE2-CG2 4.28Å
1035	K	90.4	Very high	91.8	Very high	137 Å²	137	52.4 Å²	52.4	60%	0.596	26%	0.257	S	S	*	.	H	α-helix	trans	-62.8	-38.2	-179.7	-67.9	177.3	-176	175.5	0	112.9	K1032 L1033 K1038	K1032-K1035 PolarHBondContact O-N 3.03Å; L1033-K1035 PolarHBondContact O-N 3.3Å; L1033-K1035 VanDerWaalsContact O-N 3.09Å; K1035-K1038 WeakPolarHBondContact O-CG 3.35Å
1036	V	93.3	Very high	91.5	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-81.8	-39.8	177.4	57.6	0	0	0	0	111.7	L1009 I1010 L1033 Y1034 K1038 S1039 C1042	L1009-V1036 HydrophobicContact CB-CG2 3.78Å; L1009-V1036 HydrophobicContact CD1-CG1 4.18Å; I1010-V1036 HydrophobicContact CD1-CB 4.29Å; I1010-V1036 HydrophobicContact CD1-CG2 4.15Å; I1010-V1036 HydrophobicContact CG1-CB 4.09Å; I1010-V1036 HydrophobicContact CG1-CG2 3.41Å; I1010-V1036 VanDerWaalsContact CG1-CG2 3.41Å; L1033-V1036 WeakPolarHBondContact O-CG1 3.48Å; L1033-V1036 PolarHBondContact O-N 3.47Å; Y1034-V1036 VanDerWaalsContact C-N 3.35Å; Y1034-V1036 PolarHBondContact O-N 2.73Å; V1036-K1038 VanDerWaalsContact C-N 3.26Å; V1036-K1038 PolarHBondContact O-N 3.19Å; V1036-S1039 WeakPolarHBondContact O-CB 3.17Å; V1036-S1039 PolarHBondContact O-N 3.16Å; V1036-C1042 HydrophobicContact CG2-CB 4.21Å; V1036-C1042 WeakPolarHBondContact O-CB 3.47Å
1037	L	93.8	Very high	91.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-30.1	-173.5	-65	175.9	0	0	0	112.8	L1009 L1033 Y1034 S1039 L1044 L1047 V1065 N1069 L1072	L1009-L1037 HydrophobicContact CD1-CD2 4.43Å; L1033-L1037 HydrophobicContact CB-CD1 4.22Å; L1033-L1037 VanDerWaalsContact O-CG 3.28Å; L1033-L1037 WeakPolarHBondContact O-CG 3.45Å; L1033-L1037 PolarHBondContact O-N 2.82Å; Y1034-L1037 PolarHBondContact O-N 3.33Å; L1037-S1039 VanDerWaalsContact C-N 3.31Å; L1037-L1044 HydrophobicContact CD2-CD2 4.15Å; L1037-L1047 HydrophobicContact CD1-CD2 3.59Å; L1037-L1047 HydrophobicContact CD2-CD2 4.01Å; L1037-L1047 HydrophobicContact CG-CD2 4.46Å; L1037-V1065 HydrophobicContact CB-CG1 3.74Å; L1037-V1065 HydrophobicContact CB-CG2 4.02Å; L1037-N1069 WeakPolarHBondContact O-CB 3.19Å; L1037-N1069 PolarHBondContact O-ND2 3.02Å; L1037-L1072 HydrophobicContact CB-CD2 4.01Å; L1037-L1072 HydrophobicContact CD1-CD2 4.5Å; L1037-L1072 HydrophobicContact CD2-CD2 3.8Å; L1037-L1072 HydrophobicContact CG-CD2 4.29Å
1038	K	90.9	Very high	91.5	Very high	88 Å²	88	47 Å²	47	38%	0.383	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-12.6	172.7	73.5	-179.6	-176.1	177.8	0	114.4	Y1034 K1035 V1036	Y1034-K1038 HydrophobicContact CE1-CD 4.1Å; Y1034-K1038 HydrophobicContact CE2-CD 4.35Å; Y1034-K1038 WeakPolarHBondContact O-CG 3.35Å; Y1034-K1038 PolarHBondContact O-N 3.36Å; K1035-K1038 WeakPolarHBondContact O-CG 3.35Å; V1036-K1038 VanDerWaalsContact C-N 3.26Å; V1036-K1038 PolarHBondContact O-N 3.19Å
1039	S	87.8	Confident	91.4	Very high	30 Å²	30	42.3 Å²	42.3	21%	0.21	21%	0.205	C	C	.	.	S	Bend	trans	-78.6	136	-175.5	-178.5	0	0	0	0	110.4	V1036 L1037 K1041 C1042	V1036-S1039 WeakPolarHBondContact O-CB 3.17Å; V1036-S1039 PolarHBondContact O-N 3.16Å; L1037-S1039 VanDerWaalsContact C-N 3.31Å; S1039-K1041 PolarHBondContact O-N 3.09Å; S1039-K1041 PolarHBondContact OG-N 3.27Å; S1039-C1042 WeakPolarHBondContact O-CB 3.28Å; S1039-C1042 PolarHBondContact O-N 3.26Å
1040	P	83.9	Confident	90.9	Very high	113 Å²	113	44.3 Å²	44.3	73%	0.734	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-11.2	175.3	28.8	-36	0	0	0	113.3	C1042	P1040-C1042 VanDerWaalsContact C-N 3.34Å
1041	K	86.4	Confident	90.3	Very high	133 Å²	133	47.1 Å²	47.1	58%	0.578	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-21.9	173.5	-63.8	-173	177.3	-176.7	0	112.8	S1039 K1043	S1039-K1041 PolarHBondContact O-N 3.09Å; S1039-K1041 PolarHBondContact OG-N 3.27Å; K1041-K1043 PolarHBondContact O-N 2.89Å
1042	C	89.3	Confident	89.7	Confident	8 Å²	8	50.4 Å²	50.4	5%	0.054	25%	0.245	C	C	.	.			trans	-72.7	123.1	175.2	-174.2	0	0	0	0	109.4	V1036 S1039 P1040 L1044	V1036-C1042 HydrophobicContact CG2-CB 4.21Å; V1036-C1042 WeakPolarHBondContact O-CB 3.47Å; S1039-C1042 WeakPolarHBondContact O-CB 3.28Å; S1039-C1042 PolarHBondContact O-N 3.26Å; P1040-C1042 VanDerWaalsContact C-N 3.34Å; C1042-L1044 VanDerWaalsContact SG-CB 3.57Å
1043	K	90.8	Very high	89.1	Confident	97 Å²	97	52.1 Å²	52.1	42%	0.422	27%	0.267	S	S	.	.			trans	-96.8	1.3	178.8	-60.8	-51.7	-174.7	-167.4	0	114	K1041 Q1045	K1041-K1043 PolarHBondContact O-N 2.89Å; K1043-Q1045 PolarHBondContact O-N 2.92Å
1044	L	91.2	Very high	88.7	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.021	27%	0.272	C	S	.	.			trans	-62.5	129.5	179.1	-159.4	74.1	0	0	0	110.2	L1009 L1015 I1016 M1018 L1037 C1042 L1047 L1072	L1009-L1044 HydrophobicContact CD2-CB 4.48Å; L1009-L1044 HydrophobicContact CD2-CD1 4.2Å; L1009-L1044 HydrophobicContact CD2-CD2 4.32Å; L1015-L1044 HydrophobicContact CD2-CD1 4.43Å; L1015-L1044 HydrophobicContact CG-CD1 4.3Å; I1016-L1044 WeakPolarHBondContact O-CD1 3.38Å; M1018-L1044 HydrophobicContact CB-CD1 3.9Å; M1018-L1044 HydrophobicContact CB-CD2 4.42Å; L1037-L1044 HydrophobicContact CD2-CD2 4.15Å; C1042-L1044 VanDerWaalsContact SG-CB 3.57Å; L1044-L1047 HydrophobicContact CD2-CB 3.81Å; L1044-L1047 HydrophobicContact CD2-CD1 4.04Å; L1044-L1047 HydrophobicContact CD2-CD2 4.41Å; L1044-L1047 HydrophobicContact CD2-CG 4.31Å; L1044-L1072 HydrophobicContact CB-CD1 4.26Å; L1044-L1072 HydrophobicContact CD2-CD1 4.1Å; L1044-L1072 HydrophobicContact CG-CD1 4.11Å
1045	Q	90.6	Very high	88.4	Confident	101 Å²	101	54.6 Å²	54.6	47%	0.472	28%	0.282	S	S	.	.			trans	-106.7	-27.7	176.4	-63.5	173.1	13.6	0	0	111.6	I1016 K1043 L1072 I1073	I1016-Q1045 HydrophobicContact CG2-CB 3.75Å; I1016-Q1045 VanDerWaalsContact CG2-CD 3.42Å; I1016-Q1045 HydrophobicContact CG2-CG 3.73Å; I1016-Q1045 PolarHBondContact O-N 3.43Å; K1043-Q1045 PolarHBondContact O-N 2.92Å; Q1045-L1072 WeakPolarHBondContact O-CA 3.45Å; Q1045-I1073 PolarHBondContact O-N 3.34Å
1046	V	89.4	Confident	88.3	Confident	18 Å²	18	54.2 Å²	54.2	11%	0.109	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	127.4	179.5	-173.7	0	0	0	0	110.4	I1016 K1017 M1018 I1073 K1075	I1016-V1046 PolarHBondContact O-N 3.03Å; I1016-V1046 VanDerWaalsContact O-N 3.08Å; K1017-V1046 WeakPolarHBondContact CA-O 3.5Å; K1017-V1046 HydrophobicContact CB-CB 4.37Å; K1017-V1046 HydrophobicContact CD-CB 4.24Å; K1017-V1046 HydrophobicContact CD-CG2 4.26Å; K1017-V1046 HydrophobicContact CG-CB 3.95Å; K1017-V1046 HydrophobicContact CG-CG2 4.2Å; M1018-V1046 PolarHBondContact N-O 3.17Å; M1018-V1046 VanDerWaalsContact N-O 3.07Å; V1046-I1073 WeakPolarHBondContact CA-O 3.48Å; V1046-K1075 HydrophobicContact CG1-CD 4.21Å; V1046-K1075 HydrophobicContact CG1-CG 4.45Å
1047	L	92.4	Very high	88.2	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.016	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.5	174.1	-178.9	57.9	0	0	0	110.3	M1018 L1020 L1037 L1044 L1049 L1072 I1073 I1074 K1075	M1018-L1047 HydrophobicContact CB-CD1 4.3Å; M1018-L1047 WeakPolarHBondContact O-CA 3.37Å; L1020-L1047 HydrophobicContact CD1-CD1 4.07Å; L1020-L1047 HydrophobicContact CG-CD1 4.27Å; L1037-L1047 HydrophobicContact CD1-CD2 3.59Å; L1037-L1047 HydrophobicContact CD2-CD2 4.01Å; L1037-L1047 HydrophobicContact CG-CD2 4.46Å; L1044-L1047 HydrophobicContact CD2-CB 3.81Å; L1044-L1047 HydrophobicContact CD2-CD1 4.04Å; L1044-L1047 HydrophobicContact CD2-CD2 4.41Å; L1044-L1047 HydrophobicContact CD2-CG 4.31Å; L1047-L1049 HydrophobicContact CD1-CD1 4.34Å; L1047-L1049 HydrophobicContact CD1-CG 4.29Å; L1047-L1049 HydrophobicContact CD2-CD1 3.51Å; L1047-L1049 HydrophobicContact CD2-CG 4.22Å; L1047-L1049 HydrophobicContact CG-CD1 3.82Å; L1047-L1049 HydrophobicContact CG-CG 3.95Å; L1047-L1049 PolarHBondContact O-N 3.44Å; L1047-L1072 HydrophobicContact CB-CD1 4.08Å; L1047-I1073 PolarHBondContact N-O 3.05Å; L1047-I1074 HydrophobicContact CB-CG1 4.39Å; L1047-I1074 WeakPolarHBondContact O-CA 3.47Å; L1047-K1075 PolarHBondContact O-N 3.2Å; L1047-K1075 VanDerWaalsContact O-N 3.11Å
1048	G	91.2	Very high	87.9	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	107.8	171.6	0	0	0	0	0	110.9	M1018 L1020 T1021 C1078	M1018-G1048 PolarHBondContact O-N 3.43Å; L1020-G1048 CarbonylContact C-O 3.59Å; L1020-G1048 WeakPolarHBondContact CA-O 3.32Å; L1020-G1048 PolarHBondContact N-O 3.36Å; T1021-G1048 PolarHBondContact N-O 3.3Å; G1048-C1078 WeakPolarHBondContact CA-SG 3.06Å; G1048-C1078 PolarHBondContact N-SG 3.48Å
1049	L	89.5	Confident	87.9	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.01	30%	0.3	C	S	.	.			trans	-152.9	126.8	175.4	-79.4	176.3	0	0	0	108.8	L1020 L1025 I1030 L1047 K1051 F1054 L1062 I1074 K1075 P1076	L1020-L1049 HydrophobicContact CB-CD2 3.68Å; L1020-L1049 HydrophobicContact CB-CG 4.34Å; L1025-L1049 HydrophobicContact CD1-CD2 3.89Å; I1030-L1049 HydrophobicContact CD1-CD1 4.15Å; L1047-L1049 HydrophobicContact CD1-CD1 4.34Å; L1047-L1049 HydrophobicContact CD1-CG 4.29Å; L1047-L1049 HydrophobicContact CD2-CD1 3.51Å; L1047-L1049 HydrophobicContact CD2-CG 4.22Å; L1047-L1049 HydrophobicContact CG-CD1 3.82Å; L1047-L1049 HydrophobicContact CG-CG 3.95Å; L1047-L1049 PolarHBondContact O-N 3.44Å; L1049-K1051 PolarHBondContact O-N 2.84Å; L1049-F1054 HydrophobicContact CD2-CE2 4.38Å; L1049-F1054 HydrophobicContact CD2-CZ 4.21Å; L1049-L1062 HydrophobicContact CD1-CD2 4.39Å; L1049-I1074 HydrophobicContact CB-CG2 4.08Å; L1049-K1075 CarbonylContact C-O 3.6Å; L1049-K1075 PolarHBondContact N-O 3.24Å; L1049-K1075 CarbonylContact O-C 3.49Å; L1049-K1075 VanDerWaalsContact O-O 3.08Å; L1049-P1076 WeakPolarHBondContact O-CA 3.46Å
1050	C	84.9	Confident	88	Confident	42 Å²	42	62.1 Å²	62.1	28%	0.284	32%	0.315	S	S	.	.			trans	-76.4	101.6	173.6	-173.1	0	0	0	0	109.5	E1052 A1053 F1054 P1076	C1050-E1052 PolarHBondContact O-N 3.09Å; C1050-E1052 PolarHBondContact SG-OE2 3.26Å; C1050-A1053 HydrophobicContact CB-CB 4Å; C1050-A1053 WeakPolarHBondContact O-CB 3.42Å; C1050-A1053 PolarHBondContact O-N 3.5Å; C1050-A1053 VanDerWaalsContact O-N 3.16Å; C1050-F1054 WeakPolarHBondContact O-CD2 3.42Å; C1050-F1054 WeakPolarHBondContact O-CE2 3.49Å; C1050-P1076 HydrophobicContact CB-CB 4.48Å
1051	K	84.1	Confident	88.3	Confident	59 Å²	59	58.1 Å²	58.1	26%	0.257	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-62	-37.5	-176.6	-68.6	-177.6	-179.9	-179.6	0	111.1	L1049 A1053 F1054 Q1059 L1062 I1074	L1049-K1051 PolarHBondContact O-N 2.84Å; K1051-A1053 PolarHBondContact O-N 3.14Å; K1051-F1054 PolarHBondContact O-N 2.94Å; K1051-Q1059 VanDerWaalsContact O-CG 3.29Å; K1051-Q1059 WeakPolarHBondContact O-CG 3.45Å; K1051-Q1059 PolarHBondContact O-NE2 2.87Å; K1051-L1062 HydrophobicContact CG-CD1 4.17Å; K1051-I1074 HydrophobicContact CG-CG2 4.29Å
1052	E	81.9	Confident	88.5	Confident	132 Å²	132	51.9 Å²	51.9	62%	0.617	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-66.8	-16.5	-178.8	-58	77.8	-170.8	0	0	112.6	C1050 F1054	C1050-E1052 PolarHBondContact O-N 3.09Å; C1050-E1052 PolarHBondContact SG-OE2 3.26Å; E1052-F1054 VanDerWaalsContact C-N 3.31Å
1053	A	80.1	Confident	88.4	Confident	76 Å²	76	57.1 Å²	57.1	63%	0.628	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-81.8	-6	176.7	0	0	0	0	0	113.8	C1050 K1051	C1050-A1053 HydrophobicContact CB-CB 4Å; C1050-A1053 WeakPolarHBondContact O-CB 3.42Å; C1050-A1053 PolarHBondContact O-N 3.5Å; C1050-A1053 VanDerWaalsContact O-N 3.16Å; K1051-A1053 PolarHBondContact O-N 3.14Å
1054	F	86.4	Confident	88.2	Confident	27 Å²	27	54.1 Å²	54.1	12%	0.118	28%	0.278	C	S	.	.	S	Bend	trans	-110	162.4	-179	-58.2	-81.4	0	0	0	112.3	L1025 I1030 L1049 C1050 K1051 E1052 A1058 Q1059 L1062	L1025-F1054 HydrophobicContact CB-CE1 4.28Å; I1030-F1054 HydrophobicContact CD1-CD1 4.33Å; I1030-F1054 HydrophobicContact CD1-CE1 3.81Å; I1030-F1054 HydrophobicContact CD1-CE2 4.13Å; I1030-F1054 HydrophobicContact CD1-CZ 3.71Å; I1030-F1054 HydrophobicContact CG1-CD1 3.75Å; I1030-F1054 HydrophobicContact CG1-CE1 3.64Å; I1030-F1054 HydrophobicContact CG1-CG 4.26Å; I1030-F1054 HydrophobicContact CG1-CZ 4.06Å; L1049-F1054 HydrophobicContact CD2-CE2 4.38Å; L1049-F1054 HydrophobicContact CD2-CZ 4.21Å; C1050-F1054 WeakPolarHBondContact O-CD2 3.42Å; C1050-F1054 WeakPolarHBondContact O-CE2 3.49Å; K1051-F1054 PolarHBondContact O-N 2.94Å; E1052-F1054 VanDerWaalsContact C-N 3.31Å; F1054-A1058 HydrophobicContact CB-CB 3.7Å; F1054-A1058 HydrophobicContact CG-CB 4.37Å; F1054-Q1059 PolarHBondContact O-NE2 3.43Å; F1054-L1062 HydrophobicContact CD2-CD1 4.24Å
1055	D	88.8	Confident	88.1	Confident	73 Å²	73	54 Å²	54	39%	0.39	28%	0.277	S	S	.	.			trans	-65.7	166.7	174.3	58.3	30.3	0	0	0	113.3	E1057 A1058 Q1059	D1055-E1057 VanDerWaalsContact C-N 3.27Å; D1055-E1057 PolarHBondContact O-N 3.23Å; D1055-A1058 PolarHBondContact O-N 3.43Å; D1055-A1058 WeakPolarHBondContact OD1-CB 3.32Å; D1055-A1058 PolarHBondContact OD1-N 3.03Å; D1055-Q1059 WeakPolarHBondContact O-CG 3.42Å; D1055-Q1059 PolarHBondContact O-N 3.45Å
1056	E	87.6	Confident	87.5	Confident	130 Å²	130	51 Å²	51	61%	0.607	27%	0.273	S	S	*	.	H	α-helix	trans	-60.1	-36.1	-176.8	-73	-167.3	-175.9	0	0	112.7	Q1059 K1060	E1056-Q1059 PolarHBondContact O-N 3.31Å; E1056-K1060 VanDerWaalsContact O-CG 3.3Å; E1056-K1060 WeakPolarHBondContact O-CG 3.47Å; E1056-K1060 PolarHBondContact O-N 3.43Å; E1056-K1060 IonicContact OE2-NZ 2.81Å
1057	E	90.5	Very high	87.1	Confident	107 Å²	107	56.2 Å²	56.2	50%	0.5	31%	0.305	S	S	.	.	H	α-helix	trans	-64.9	-45.8	177.4	-69.3	81.2	-173.7	0	0	111.9	Y1027 D1055 K1060 L1061	Y1027-E1057 HydrophobicContact CD2-CB 3.95Å; Y1027-E1057 HydrophobicContact CE2-CB 3.67Å; D1055-E1057 VanDerWaalsContact C-N 3.27Å; D1055-E1057 PolarHBondContact O-N 3.23Å; E1057-K1060 PolarHBondContact O-N 3.12Å; E1057-L1061 WeakPolarHBondContact O-CG 3.5Å; E1057-L1061 PolarHBondContact O-N 3.38Å
1058	A	89	Confident	86.7	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-65.4	-38.8	175.6	0	0	0	0	0	112.2	Y1027 I1030 F1054 D1055 K1060 L1061 L1062	Y1027-A1058 HydrophobicContact CD2-CB 4.12Å; I1030-A1058 HydrophobicContact CB-CB 4.24Å; I1030-A1058 HydrophobicContact CG1-CB 4.35Å; I1030-A1058 HydrophobicContact CG2-CB 4.08Å; F1054-A1058 HydrophobicContact CB-CB 3.7Å; F1054-A1058 HydrophobicContact CG-CB 4.37Å; D1055-A1058 PolarHBondContact O-N 3.43Å; D1055-A1058 WeakPolarHBondContact OD1-CB 3.32Å; D1055-A1058 PolarHBondContact OD1-N 3.03Å; A1058-K1060 PolarHBondContact O-N 3.5Å; A1058-L1061 WeakPolarHBondContact O-CB 3.48Å; A1058-L1061 PolarHBondContact O-N 2.99Å; A1058-L1062 WeakPolarHBondContact O-CG 3.46Å; A1058-L1062 PolarHBondContact O-N 3.28Å; A1058-L1062 VanDerWaalsContact O-N 3.08Å
1059	Q	89.6	Confident	86.4	Confident	60 Å²	60	60 Å²	60	28%	0.28	33%	0.331	S	S	.	.	H	α-helix	trans	-59.2	-46.5	175.3	-73.2	178.3	27.1	0	0	111.4	K1051 F1054 D1055 E1056 L1061 L1062 E1063	K1051-Q1059 VanDerWaalsContact O-CG 3.29Å; K1051-Q1059 WeakPolarHBondContact O-CG 3.45Å; K1051-Q1059 PolarHBondContact O-NE2 2.87Å; F1054-Q1059 PolarHBondContact O-NE2 3.43Å; D1055-Q1059 WeakPolarHBondContact O-CG 3.42Å; D1055-Q1059 PolarHBondContact O-N 3.45Å; E1056-Q1059 PolarHBondContact O-N 3.31Å; Q1059-L1061 VanDerWaalsContact C-N 3.28Å; Q1059-L1061 PolarHBondContact O-N 2.79Å; Q1059-L1062 PolarHBondContact O-N 3.24Å; Q1059-L1062 VanDerWaalsContact O-N 3.13Å; Q1059-E1063 WeakPolarHBondContact O-CG 3.43Å; Q1059-E1063 PolarHBondContact O-N 3.02Å
1060	K	89.9	Confident	86	Confident	119 Å²	119	64.6 Å²	64.6	52%	0.517	36%	0.36	S	S	.	.	H	α-helix	trans	-58.3	-38.9	176.4	-74.1	166	-172.9	157.2	0	112.4	E1056 E1057 A1058 E1063 A1064	E1056-K1060 VanDerWaalsContact O-CG 3.3Å; E1056-K1060 WeakPolarHBondContact O-CG 3.47Å; E1056-K1060 PolarHBondContact O-N 3.43Å; E1056-K1060 IonicContact OE2-NZ 2.81Å; E1057-K1060 PolarHBondContact O-N 3.12Å; A1058-K1060 PolarHBondContact O-N 3.5Å; K1060-E1063 PolarHBondContact O-N 2.66Å; K1060-A1064 WeakPolarHBondContact O-CB 3.3Å; K1060-A1064 PolarHBondContact O-N 3.14Å
1061	L	91.4	Very high	85.9	Confident	29 Å²	29	69.7 Å²	69.7	15%	0.152	38%	0.38	C	S	.	.	H	α-helix	trans	-64.4	-45.2	176	-66.7	168.7	0	0	0	111.7	Y1027 I1030 M1031 Y1034 E1057 A1058 Q1059 E1063 A1064 V1065	Y1027-L1061 HydrophobicContact CD2-CD1 4.43Å; Y1027-L1061 HydrophobicContact CE2-CD1 3.79Å; I1030-L1061 HydrophobicContact CG2-CB 4.37Å; I1030-L1061 HydrophobicContact CG2-CD1 4.43Å; M1031-L1061 HydrophobicContact CG-CD1 3.57Å; M1031-L1061 HydrophobicContact SD-CD1 3.25Å; M1031-L1061 WeakPolarHBondContact SD-CD1 3.41Å; M1031-L1061 HydrophobicContact SD-CD2 3.96Å; M1031-L1061 HydrophobicContact SD-CG 4.25Å; Y1034-L1061 HydrophobicContact CD1-CD2 4.1Å; Y1034-L1061 HydrophobicContact CD2-CB 4.05Å; Y1034-L1061 HydrophobicContact CD2-CD2 4.21Å; Y1034-L1061 WeakPolarHBondContact CD2-O 3.45Å; Y1034-L1061 HydrophobicContact CE1-CD2 4.2Å; Y1034-L1061 HydrophobicContact CE2-CD2 4.32Å; Y1034-L1061 HydrophobicContact CG-CB 4.26Å; Y1034-L1061 HydrophobicContact CG-CD2 4.12Å; E1057-L1061 WeakPolarHBondContact O-CG 3.5Å; E1057-L1061 PolarHBondContact O-N 3.38Å; A1058-L1061 WeakPolarHBondContact O-CB 3.48Å; A1058-L1061 PolarHBondContact O-N 2.99Å; Q1059-L1061 VanDerWaalsContact C-N 3.28Å; Q1059-L1061 PolarHBondContact O-N 2.79Å; L1061-E1063 VanDerWaalsContact C-N 3.34Å; L1061-A1064 PolarHBondContact O-N 3.26Å; L1061-V1065 WeakPolarHBondContact O-CG2 3.48Å; L1061-V1065 PolarHBondContact O-N 3.19Å
1062	L	88.9	Confident	86	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.01	37%	0.37	C	S	.	.	H	α-helix	trans	-66.6	-34.7	178.8	-66.6	172.8	0	0	0	112.2	I1030 L1049 K1051 F1054 A1058 Q1059 V1065 I1074	I1030-L1062 HydrophobicContact CD1-CD1 4.42Å; I1030-L1062 HydrophobicContact CD1-CD2 4.4Å; I1030-L1062 HydrophobicContact CG2-CD1 4.36Å; I1030-L1062 HydrophobicContact CG2-CD2 3.95Å; I1030-L1062 HydrophobicContact CG2-CG 3.88Å; L1049-L1062 HydrophobicContact CD1-CD2 4.39Å; K1051-L1062 HydrophobicContact CG-CD1 4.17Å; F1054-L1062 HydrophobicContact CD2-CD1 4.24Å; A1058-L1062 WeakPolarHBondContact O-CG 3.46Å; A1058-L1062 PolarHBondContact O-N 3.28Å; A1058-L1062 VanDerWaalsContact O-N 3.08Å; Q1059-L1062 PolarHBondContact O-N 3.24Å; Q1059-L1062 VanDerWaalsContact O-N 3.13Å; L1062-V1065 WeakPolarHBondContact O-CB 3.48Å; L1062-V1065 PolarHBondContact O-N 3.38Å; L1062-I1074 HydrophobicContact CB-CD1 4.38Å; L1062-I1074 HydrophobicContact CD2-CD1 4.05Å
1063	E	87.2	Confident	86.2	Confident	118 Å²	118	66.1 Å²	66.1	55%	0.551	37%	0.366	S	S	*	.	H	α-helix	trans	-65.1	-42.5	171.8	-71.7	178.1	172.5	0	0	111.9	Q1059 K1060 L1061 V1065 G1066	Q1059-E1063 WeakPolarHBondContact O-CG 3.43Å; Q1059-E1063 PolarHBondContact O-N 3.02Å; K1060-E1063 PolarHBondContact O-N 2.66Å; L1061-E1063 VanDerWaalsContact C-N 3.34Å; E1063-V1065 PolarHBondContact O-N 3.37Å; E1063-G1066 PolarHBondContact O-N 3.41Å
1064	A	88.2	Confident	86.5	Confident	35 Å²	35	63.7 Å²	63.7	29%	0.289	34%	0.342	S	S	.	.	H	α-helix	trans	-63.7	-26.3	177.6	0	0	0	0	0	113.3	Y1034 K1060 L1061 G1066 V1067 S1068	Y1034-A1064 HydrophobicContact CE2-CB 4.18Å; K1060-A1064 WeakPolarHBondContact O-CB 3.3Å; K1060-A1064 PolarHBondContact O-N 3.14Å; L1061-A1064 PolarHBondContact O-N 3.26Å; A1064-G1066 VanDerWaalsContact C-N 3.33Å; A1064-V1067 PolarHBondContact O-N 2.8Å; A1064-S1068 PolarHBondContact O-N 3.38Å; A1064-S1068 PolarHBondContact O-OG 3.47Å
1065	V	87.8	Confident	86.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-42.4	171.8	175.6	0	0	0	0	110.9	Y1034 L1037 L1061 L1062 E1063 V1067 S1068 N1069 L1072 I1074	Y1034-V1065 HydrophobicContact CD2-CG2 3.7Å; Y1034-V1065 HydrophobicContact CE2-CG2 4.28Å; L1037-V1065 HydrophobicContact CB-CG1 3.74Å; L1037-V1065 HydrophobicContact CB-CG2 4.02Å; L1061-V1065 WeakPolarHBondContact O-CG2 3.48Å; L1061-V1065 PolarHBondContact O-N 3.19Å; L1062-V1065 WeakPolarHBondContact O-CB 3.48Å; L1062-V1065 PolarHBondContact O-N 3.38Å; E1063-V1065 PolarHBondContact O-N 3.37Å; V1065-V1067 PolarHBondContact O-N 3.42Å; V1065-S1068 PolarHBondContact O-N 3.14Å; V1065-N1069 PolarHBondContact O-N 3.28Å; V1065-L1072 HydrophobicContact CG1-CD2 3.73Å; V1065-I1074 HydrophobicContact CB-CD1 4.4Å; V1065-I1074 HydrophobicContact CG1-CD1 4.36Å
1066	G	78.8	Confident	85.5	Confident	39 Å²	39	63.5 Å²	63.5	40%	0.402	35%	0.345	S	S	.	.	H	α-helix	trans	-62.8	-29.6	-178.6	0	0	0	0	0	113.4	E1063 A1064	E1063-G1066 PolarHBondContact O-N 3.41Å; A1064-G1066 VanDerWaalsContact C-N 3.33Å
1067	V	81.5	Confident	84.1	Confident	127 Å²	127	60.1 Å²	60.1	77%	0.77	33%	0.332	S	S	*	.	H	α-helix	trans	-74.2	-39.1	173.5	-177	0	0	0	0	111.4	A1064 V1065	A1064-V1067 PolarHBondContact O-N 2.8Å; V1065-V1067 PolarHBondContact O-N 3.42Å
1068	S	83.5	Confident	82.2	Confident	66 Å²	66	55.4 Å²	55.4	46%	0.462	31%	0.31	S	S	.	.	H	α-helix	trans	-84.5	-28.2	-174	-53	0	0	0	0	113.4	A1064 V1065	A1064-S1068 PolarHBondContact O-N 3.38Å; A1064-S1068 PolarHBondContact O-OG 3.47Å; V1065-S1068 PolarHBondContact O-N 3.14Å
1069	N	84.3	Confident	80	Confident	18 Å²	18	57.7 Å²	57.7	10%	0.096	32%	0.322	C	S	.	.			trans	-135.7	82.4	179.7	-173.1	-4.6	0	0	0	109.6	L1037 V1065 H1071 L1072	L1037-N1069 WeakPolarHBondContact O-CB 3.19Å; L1037-N1069 PolarHBondContact O-ND2 3.02Å; V1065-N1069 PolarHBondContact O-N 3.28Å; N1069-H1071 PolarHBondContact O-N 3.24Å; N1069-H1071 VanDerWaalsContact O-N 3.12Å; N1069-H1071 PolarHBondContact OD1-N 3.2Å; N1069-L1072 HydrophobicContact CB-CB 4.43Å; N1069-L1072 PolarHBondContact O-N 2.82Å
1070	P	81.2	Confident	77.7	Confident	97 Å²	97	56.7 Å²	56.7	63%	0.63	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-10	-174.4	28.7	-36	0	0	0	113.6
1071	H	83.4	Confident	75.2	Confident	150 Å²	150	53.3 Å²	53.3	69%	0.694	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-8.7	178.1	-58.7	-58.3	0	0	0	113.3	N1069	N1069-H1071 PolarHBondContact O-N 3.24Å; N1069-H1071 VanDerWaalsContact O-N 3.12Å; N1069-H1071 PolarHBondContact OD1-N 3.2Å
1072	L	86.7	Confident	72.4	Confident	10 Å²	10	57.9 Å²	57.9	5%	0.052	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-97.2	122.4	177.6	174.1	61.5	0	0	0	110.7	L1037 L1044 Q1045 L1047 V1065 N1069 I1074	L1037-L1072 HydrophobicContact CB-CD2 4.01Å; L1037-L1072 HydrophobicContact CD1-CD2 4.5Å; L1037-L1072 HydrophobicContact CD2-CD2 3.8Å; L1037-L1072 HydrophobicContact CG-CD2 4.29Å; L1044-L1072 HydrophobicContact CB-CD1 4.26Å; L1044-L1072 HydrophobicContact CD2-CD1 4.1Å; L1044-L1072 HydrophobicContact CG-CD1 4.11Å; Q1045-L1072 WeakPolarHBondContact O-CA 3.45Å; L1047-L1072 HydrophobicContact CB-CD1 4.08Å; V1065-L1072 HydrophobicContact CG1-CD2 3.73Å; N1069-L1072 HydrophobicContact CB-CB 4.43Å; N1069-L1072 PolarHBondContact O-N 2.82Å; L1072-I1074 HydrophobicContact CG-CG1 4.35Å
1073	I	85.6	Confident	69.7	Low	106 Å²	106	61.1 Å²	61.1	54%	0.544	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.2	175.4	-57	175.2	0	0	0	108.8	Q1045 V1046 L1047	Q1045-I1073 PolarHBondContact O-N 3.34Å; V1046-I1073 WeakPolarHBondContact CA-O 3.48Å; L1047-I1073 PolarHBondContact N-O 3.05Å
1074	I	86.4	Confident	67.1	Low	24 Å²	24	61 Å²	61	12%	0.123	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.6	172.7	-55	174.8	0	0	0	107.9	L1047 L1049 K1051 L1062 V1065 L1072	L1047-I1074 HydrophobicContact CB-CG1 4.39Å; L1047-I1074 WeakPolarHBondContact O-CA 3.47Å; L1049-I1074 HydrophobicContact CB-CG2 4.08Å; K1051-I1074 HydrophobicContact CG-CG2 4.29Å; L1062-I1074 HydrophobicContact CB-CD1 4.38Å; L1062-I1074 HydrophobicContact CD2-CD1 4.05Å; V1065-I1074 HydrophobicContact CB-CD1 4.4Å; V1065-I1074 HydrophobicContact CG1-CD1 4.36Å; L1072-I1074 HydrophobicContact CG-CG1 4.35Å
1075	K	82.8	Confident	64.3	Low	25 Å²	25	64.6 Å²	64.6	11%	0.109	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.3	-177.3	59.3	178.8	-172.8	162	0	111.8	V1046 L1047 L1049 D1077 C1078 E1083	V1046-K1075 HydrophobicContact CG1-CD 4.21Å; V1046-K1075 HydrophobicContact CG1-CG 4.45Å; L1047-K1075 PolarHBondContact O-N 3.2Å; L1047-K1075 VanDerWaalsContact O-N 3.11Å; L1049-K1075 CarbonylContact C-O 3.6Å; L1049-K1075 PolarHBondContact N-O 3.24Å; L1049-K1075 CarbonylContact O-C 3.49Å; L1049-K1075 VanDerWaalsContact O-O 3.08Å; K1075-D1077 VanDerWaalsContact CD-O 3.29Å; K1075-D1077 WeakPolarHBondContact CD-O 3.41Å; K1075-D1077 VanDerWaalsContact CE-O 3.31Å; K1075-D1077 WeakPolarHBondContact CE-O 3.35Å; K1075-D1077 PolarHBondContact O-N 3.41Å; K1075-C1078 WeakPolarHBondContact CE-SG 3.4Å; K1075-E1083 WeakPolarHBondContact CD-OE1 3.48Å; K1075-E1083 WeakPolarHBondContact CE-OE1 3.41Å; K1075-E1083 IonicContact NZ-OE1 3.84Å; K1075-E1083 PolarHBondContact NZ-OE1 2.86Å; K1075-E1083 IonicContact NZ-OE2 2.59Å; K1075-E1083 PolarHBondContact NZ-OE2 3.14Å
1076	P	70.5	Confident	61.7	Low	71 Å²	71	65.7 Å²	65.7	46%	0.461	37%	0.367	S	S	.	.	S	Bend	trans	-71.9	-21.3	-175.5	29.7	-35.5	0	0	0	113	T1021 L1049 C1050	T1021-P1076 WeakPolarHBondContact CG2-O 3.49Å; L1049-P1076 WeakPolarHBondContact O-CA 3.46Å; C1050-P1076 HydrophobicContact CB-CB 4.48Å
1077	D	59.4	Low	59.6	Low	60 Å²	60	63.9 Å²	63.9	32%	0.321	35%	0.348	S	S	.	.			trans	-126	107.3	176.6	-164.7	0.2	0	0	0	110.1	K1075 N1079	K1075-D1077 VanDerWaalsContact CD-O 3.29Å; K1075-D1077 WeakPolarHBondContact CD-O 3.41Å; K1075-D1077 VanDerWaalsContact CE-O 3.31Å; K1075-D1077 WeakPolarHBondContact CE-O 3.35Å; K1075-D1077 PolarHBondContact O-N 3.41Å; D1077-N1079 VanDerWaalsContact C-N 3.27Å; D1077-N1079 WeakPolarHBondContact OD1-CA 3.36Å; D1077-N1079 WeakPolarHBondContact OD1-CB 3.31Å; D1077-N1079 PolarHBondContact OD1-N 3.31Å; D1077-N1079 PolarHBondContact OD1-ND2 3.33Å; D1077-N1079 PolarHBondContact OD2-ND2 3.25Å
1078	C	50.7	Low	57.7	Low	7 Å²	7	60.6 Å²	60.6	5%	0.047	32%	0.322	C	S	.	.			trans	-93.7	20.3	166	-100.7	0	0	0	0	111.7	N1019 G1048 K1075 Y1080	N1019-C1078 HydrophobicContact CB-CB 3.82Å; N1019-C1078 WeakPolarHBondContact ND2-CB 3.42Å; N1019-C1078 WeakPolarHBondContact OD1-CB 3.28Å; G1048-C1078 WeakPolarHBondContact CA-SG 3.06Å; G1048-C1078 PolarHBondContact N-SG 3.48Å; K1075-C1078 WeakPolarHBondContact CE-SG 3.4Å; C1078-Y1080 PolarHBondContact O-N 3.13Å
1079	N	42.7	Very low	55.7	Low	48 Å²	48	61.7 Å²	61.7	26%	0.257	32%	0.316	S	S	.	.			trans	-48.1	108.6	167.3	-84.6	-34.3	0	0	0	107.4	D1077 H1081 N1082	D1077-N1079 VanDerWaalsContact C-N 3.27Å; D1077-N1079 WeakPolarHBondContact OD1-CA 3.36Å; D1077-N1079 WeakPolarHBondContact OD1-CB 3.31Å; D1077-N1079 PolarHBondContact OD1-N 3.31Å; D1077-N1079 PolarHBondContact OD1-ND2 3.33Å; D1077-N1079 PolarHBondContact OD2-ND2 3.25Å; N1079-H1081 HydrophobicContact CB-CB 4.46Å; N1079-H1081 PolarHBondContact O-N 2.93Å; N1079-N1082 HydrophobicContact CB-CB 4.38Å; N1079-N1082 PolarHBondContact O-N 2.98Å
1080	Y	41.6	Very low	53.4	Low	39 Å²	39	67.6 Å²	67.6	15%	0.153	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	2.9	165.4	-67.7	-80.1	0	0	0	111	D962 C1078 G1086 S1087 W1088	D962-Y1080 WeakPolarHBondContact OD2-CD2 3.49Å; D962-Y1080 WeakPolarHBondContact OD2-CE2 3.44Å; C1078-Y1080 PolarHBondContact O-N 3.13Å; Y1080-G1086 CarbonylContact C-O 3.55Å; Y1080-G1086 CarbonylContact O-C 3.46Å; Y1080-G1086 VanDerWaalsContact O-C 3.32Å; Y1080-S1087 CarbonylContact O-C 3.59Å; Y1080-S1087 WeakPolarHBondContact O-CA 3.37Å; Y1080-W1088 PolarHBondContact O-N 3.16Å
1081	H	35.9	Very low	51.3	Low	48 Å²	48	65 Å²	65	22%	0.222	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-26.3	178	-60.2	-65.7	0	0	0	114.8	R879 N1079 W1088	R879-H1081 PolarHBondContact NH1-CE1 3.38Å; R879-H1081 PolarHBondContact NH1-NE2 3.11Å; R879-H1081 PolarHBondContact NH2-CE1 3.39Å; R879-H1081 VanDerWaalsContact NH2-CE1 3.32Å; R879-H1081 PolarHBondContact NH2-NE2 3.4Å; N1079-H1081 HydrophobicContact CB-CB 4.46Å; N1079-H1081 PolarHBondContact O-N 2.93Å; H1081-W1088 AromaticContact ND1-CD1 3.4Å; H1081-W1088 AromaticContact ND1-CG 3.92Å
1082	N	32.8	Very low	49.2	Very low	126 Å²	126	58 Å²	58	67%	0.674	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-7.4	-164.5	-85.6	-17	0	0	0	117.9	N1079	N1079-N1082 HydrophobicContact CB-CB 4.38Å; N1079-N1082 PolarHBondContact O-N 2.98Å
1083	E	33.2	Very low	47.4	Very low	70 Å²	70	60.5 Å²	60.5	33%	0.327	30%	0.3	S	S	.	.			trans	-80.1	132.3	168.4	-78.3	-172.7	169.4	0	0	110.5	K1075 N1085 G1086 S1087	K1075-E1083 WeakPolarHBondContact CD-OE1 3.48Å; K1075-E1083 WeakPolarHBondContact CE-OE1 3.41Å; K1075-E1083 IonicContact NZ-OE1 3.84Å; K1075-E1083 PolarHBondContact NZ-OE1 2.86Å; K1075-E1083 IonicContact NZ-OE2 2.59Å; K1075-E1083 PolarHBondContact NZ-OE2 3.14Å; E1083-N1085 PolarHBondContact O-N 3.31Å; E1083-G1086 PolarHBondContact O-N 3.02Å; E1083-S1087 PolarHBondContact O-N 3.46Å; E1083-S1087 PolarHBondContact O-OG 3.24Å
1084	E	33	Very low	45.3	Very low	115 Å²	115	58.1 Å²	58.1	54%	0.537	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-10.9	164.6	-74.2	178.9	179.2	0	0	112.3	K603 R631 R1090	K603-E1084 IonicContact NZ-OE2 3.4Å; R631-E1084 IonicContact NH2-OE1 3.73Å; R631-E1084 PolarHBondContact NH2-OE1 3.27Å; E1084-R1090 VanDerWaalsContact O-CZ 3.3Å; E1084-R1090 PolarHBondContact O-NE 3.3Å; E1084-R1090 PolarHBondContact O-NH2 3.19Å
1085	N	28.8	Very low	43.1	Very low	110 Å²	110	59.9 Å²	59.9	59%	0.588	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-6.6	174.4	-80.6	-27.5	0	0	0	117.7	E1083 R1090	E1083-N1085 PolarHBondContact O-N 3.31Å; N1085-R1090 VanDerWaalsContact CA-CZ 3.42Å; N1085-R1090 PolarHBondContact O-NH1 3.45Å; N1085-R1090 VanDerWaalsContact O-NH1 3.08Å; N1085-R1090 VanDerWaalsContact OD1-CZ 3.31Å; N1085-R1090 PolarHBondContact OD1-NH1 3.09Å; N1085-R1090 VanDerWaalsContact OD1-NH1 3.12Å; N1085-R1090 PolarHBondContact OD1-NH2 3.44Å
1086	G	32.6	Very low	40.7	Very low	23 Å²	23	62 Å²	62	24%	0.237	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.7	-1.5	-169	0	0	0	0	0	116.5	Y1080 E1083	Y1080-G1086 CarbonylContact C-O 3.55Å; Y1080-G1086 CarbonylContact O-C 3.46Å; Y1080-G1086 VanDerWaalsContact O-C 3.32Å; E1083-G1086 PolarHBondContact O-N 3.02Å
1087	S	34.7	Very low	38.9	Very low	1 Å²	1	61.4 Å²	61.4	1%	0.007	30%	0.298	C	S	.	.			trans	-51.2	136.3	180	-3.7	0	0	0	0	112.9	Y1080 E1083 W1089 R1090	Y1080-S1087 CarbonylContact O-C 3.59Å; Y1080-S1087 WeakPolarHBondContact O-CA 3.37Å; E1083-S1087 PolarHBondContact O-N 3.46Å; E1083-S1087 PolarHBondContact O-OG 3.24Å; S1087-W1089 VanDerWaalsContact CB-CE3 3.43Å; S1087-W1089 PolarHBondContact O-N 3.34Å; S1087-W1089 WeakPolarHBondContact OG-CH2 3.48Å; S1087-W1089 WeakPolarHBondContact OG-CZ2 3.34Å; S1087-R1090 PolarHBondContact O-N 3.29Å
1088	W	41.8	Very low	37.5	Very low	59 Å²	59	61.5 Å²	61.5	22%	0.223	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-41.6	-28	175.4	63.4	-84.8	0	0	0	115.1	C848 Y1080 H1081 R1090 C1091 F1092	C848-W1088 HydrophobicContact CB-CZ3 4.44Å; Y1080-W1088 PolarHBondContact O-N 3.16Å; H1081-W1088 AromaticContact ND1-CD1 3.4Å; H1081-W1088 AromaticContact ND1-CG 3.92Å; W1088-R1090 VanDerWaalsContact C-N 3.34Å; W1088-R1090 PolarHBondContact O-N 2.61Å; W1088-C1091 PolarHBondContact O-N 3.27Å; W1088-F1092 AromaticContact CE3-CD2 3.77Å; W1088-F1092 HydrophobicContact CE3-CD2 3.77Å; W1088-F1092 AromaticContact CE3-CE2 3.91Å; W1088-F1092 HydrophobicContact CE3-CE2 3.91Å; W1088-F1092 AromaticContact CZ3-CD2 3.96Å; W1088-F1092 HydrophobicContact CZ3-CD2 3.96Å; W1088-F1092 HydrophobicContact CZ3-CE2 4.04Å; W1088-F1092 HydrophobicContact CZ3-CG 4.44Å; W1088-F1092 PolarHBondContact O-N 2.64Å
1089	W	41.5	Very low	36.6	Very low	88 Å²	88	65.4 Å²	65.4	33%	0.333	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-77.3	-2.2	174	67.4	75.1	0	0	0	115.9	S1087 C1091 F1092	S1087-W1089 VanDerWaalsContact CB-CE3 3.43Å; S1087-W1089 PolarHBondContact O-N 3.34Å; S1087-W1089 WeakPolarHBondContact OG-CH2 3.48Å; S1087-W1089 WeakPolarHBondContact OG-CZ2 3.34Å; W1089-C1091 VanDerWaalsContact C-N 3.27Å; W1089-F1092 VanDerWaalsContact C-N 3.26Å; W1089-F1092 HydrophobicContact CB-CB 4.22Å; W1089-F1092 CarbonylContact O-C 3.34Å; W1089-F1092 VanDerWaalsContact O-C 3.23Å; W1089-F1092 WeakPolarHBondContact O-CA 3.48Å; W1089-F1092 PolarHBondContact O-N 3.34Å; W1089-F1092 VanDerWaalsContact O-N 3.14Å
1090	R	37.2	Very low	36.1	Very low	142 Å²	142	66.8 Å²	66.8	54%	0.536	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-78.6	-19.4	165.9	-78.5	-169.9	173.4	-165.8	-1.4	111.8	E1084 N1085 S1087 W1088 F1092	E1084-R1090 VanDerWaalsContact O-CZ 3.3Å; E1084-R1090 PolarHBondContact O-NE 3.3Å; E1084-R1090 PolarHBondContact O-NH2 3.19Å; N1085-R1090 VanDerWaalsContact CA-CZ 3.42Å; N1085-R1090 PolarHBondContact O-NH1 3.45Å; N1085-R1090 VanDerWaalsContact O-NH1 3.08Å; N1085-R1090 VanDerWaalsContact OD1-CZ 3.31Å; N1085-R1090 PolarHBondContact OD1-NH1 3.09Å; N1085-R1090 VanDerWaalsContact OD1-NH1 3.12Å; N1085-R1090 PolarHBondContact OD1-NH2 3.44Å; S1087-R1090 PolarHBondContact O-N 3.29Å; W1088-R1090 VanDerWaalsContact C-N 3.34Å; W1088-R1090 PolarHBondContact O-N 2.61Å; R1090-F1092 VanDerWaalsContact C-N 3.3Å
1091	C	36.8	Very low	35.6	Very low	42 Å²	42	69.1 Å²	69.1	28%	0.284	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-92.5	11.5	160.4	-56.3	0	0	0	0	111.7	H846 S875 W1088 W1089	H846-C1091 PolarHBondContact CD2-O 2.6Å; H846-C1091 PolarHBondContact NE2-O 3.39Å; S875-C1091 PolarHBondContact OG-O 2.71Å; W1088-C1091 PolarHBondContact O-N 3.27Å; W1089-C1091 VanDerWaalsContact C-N 3.27Å
1092	F	39.3	Very low	35.6	Very low	5 Å²	5	71 Å²	71	2%	0.022	34%	0.343	C	S	.	.			trans	-111.8	0	156.3	-79.5	-104.9	0	0	0	107.3	R818 H846 C848 V877 W1088 W1089 R1090	R818-F1092 HydrophobicContact CB-CD1 4.44Å; R818-F1092 VanDerWaalsContact CD-C 3.42Å; R818-F1092 WeakPolarHBondContact CD-O 3.49Å; R818-F1092 WeakPolarHBondContact CD-OXT 3.42Å; R818-F1092 PolarHBondContact NE-OXT 2.85Å; R818-F1092 PolarHBondContact NH1-O 2.93Å; R818-F1092 PolarHBondContact NH1-OXT 3.24Å; R818-F1092 PolarHBondContact NH2-OXT 3.47Å; H846-F1092 HydrophobicContact CB-CD1 3.4Å; H846-F1092 VanDerWaalsContact CB-CD1 3.4Å; H846-F1092 HydrophobicContact CB-CE1 3.59Å; H846-F1092 HydrophobicContact CB-CG 4.13Å; H846-F1092 HydrophobicContact CB-CZ 4.42Å; C848-F1092 HydrophobicContact CB-CE1 3.93Å; C848-F1092 HydrophobicContact CB-CE2 4.34Å; C848-F1092 HydrophobicContact CB-CZ 3.55Å; V877-F1092 HydrophobicContact CB-CZ 4.46Å; V877-F1092 HydrophobicContact CG2-CE2 3.63Å; V877-F1092 HydrophobicContact CG2-CZ 3.85Å; W1088-F1092 AromaticContact CE3-CD2 3.77Å; W1088-F1092 HydrophobicContact CE3-CD2 3.77Å; W1088-F1092 AromaticContact CE3-CE2 3.91Å; W1088-F1092 HydrophobicContact CE3-CE2 3.91Å; W1088-F1092 AromaticContact CZ3-CD2 3.96Å; W1088-F1092 HydrophobicContact CZ3-CD2 3.96Å; W1088-F1092 HydrophobicContact CZ3-CE2 4.04Å; W1088-F1092 HydrophobicContact CZ3-CG 4.44Å; W1088-F1092 PolarHBondContact O-N 2.64Å; W1089-F1092 VanDerWaalsContact C-N 3.26Å; W1089-F1092 HydrophobicContact CB-CB 4.22Å; W1089-F1092 CarbonylContact O-C 3.34Å; W1089-F1092 VanDerWaalsContact O-C 3.23Å; W1089-F1092 WeakPolarHBondContact O-CA 3.48Å; W1089-F1092 PolarHBondContact O-N 3.34Å; W1089-F1092 VanDerWaalsContact O-N 3.14Å; R1090-F1092 VanDerWaalsContact C-N 3.3Å

Retrieved 1,092 of 1,092 residues in 607.1 ms (Link to these results)

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