A0A5K4F882_SCHMA Loading...

phosphoinositide 5-phosphatase

AlphaFold DB , UniProt , Accession A0A5K4F882, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,357 aa.

						>A0A5K4F882_SCHMA|A0A5K4F882
MSFLKNCRVLLKSANSDIGESPQQYNVILENRFVRGALLFDSGAIAHISPYEFDFRKCQYTKAVDAYACLGVLVPMTSPTSDSSIMAPQSYLVLATGCTSVGKLPLFEVFRITNVQFINMKCQGVEEDIYPDLRKLLSSGMFYFARSNIDGKPFDLTVNIQNRSRLGDELLTSSDIYTRGDAGLNFLWNKGLMGPLIRAGINPSDWLVSIICGGFEVCTVYCSVGQARVGVVSRVSAQRPGTRFHVRGLNDCGDVANFVETEQFIYLGDSVSSYIQVRGTVPLFWEQPGLQVGSHKISLSRPLAISMSAFERHFMNLISQYGSVGVVNLLGCKQGEAMLSKAYQEQHRKSSFRNTIHHIIFDYHSELQSKGAKSLEWINQQISRLTDDWGYFYANGQQVELCQTGVLRINCVDCLDRTNAIETLVGVQIILPKMLMSLGVNVKDQHNVINRFVDGIKQLWQQNGDHVSRIYAGTGALGSGRSKLRDAQRTAVRTIQHSFFDSAKQEAMHMLLSNSSLQGWMKLVGEQYLPRRLLHSTPTLLTNILHRYPEFIQIHNLRLFVGTWNVNGGKHFRSVAHKHECVTDWLLDLAQTINQNTNWGYKSLDFTDSEELNKPMDVFAIGFEEIVDLTTSNIVAGSKPSANQRDWGQFLQRHLNRDTDEQDSYLLITSVQLVGVCLFLFVRKRLAGSLRNIATSSVKTGLGGTAGNKGAVAIRFQLGATSICFVCSHFTAGQSAVRERNDDFQEICRRLSLPNGRNILSHDYVFWCGDFNYRINLSGNEVKRLATQSSWLDLLRYDQLTIEKLAGNVFRGFEEGPIRFAPTYKYDLFCDDYDTSEKARSPAWTDRILWRRVKLTFPKTDENGIVCMQNNSPDKKWNPGRLLLYNRAELKTSDHRPVGAIFNIEVQVISRQSRRKVISDVAEDYGPINATVQVDLKIVESNSKQLLSEDVKPYLLNDTDFLESLKLIGSSREGTILLLHFLDPLTILLIYANSKQASIAAGFLNNYIIPWDASSNGLPKIAGGYEIHLSTSLYNSANWLDRMQRLIEISEREESNINDCRIPAEVFNALPLIKKLDKQRPPKFDDNNEQTLNSDNEDFENDITNLNINRAVEPSQPRNRPPPPRPAPPLIKQSVSIGSGNNNSKDEFDDYPTNNNNSINTKKTNISDPLSQADNEIDSKFKKIFSISHSQTNSPVHEVSSKLNTAISNDLFTPYNDSIHMVNSCVDLNFQDNSILQQDNNNKNRISSTIDLIGLDFENNSTINNDTTSSSTHWFDSVIVPPPLPQRPEDVRSSHLSTDDPFTLVYSSQSDSSTTMNHDKDAALINVDPISPTRVAPQTPSRQKPPPLPPRPKTETE
					

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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	43.1	Very low	78.6	Confident	178 Å²	178	66.2 Å²	66.2	88%	0.877	33%	0.327	S	S	*	.				0	-47.5	0	-76.2	-111.2	-162	0	0	112.9	F3 L4	M1-F3 PolarHBondContact O-N 3.47Å; M1-L4 PolarHBondContact O-N 3.39Å; M1-L4 VanDerWaalsContact O-N 3.11Å
2	S	54.4	Low	79	Confident	89 Å²	89	67.3 Å²	67.3	62%	0.622	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-54.5	-36.2	177.2	55.2	0	0	0	0	113.6	L4 K5	S2-L4 PolarHBondContact O-N 3.31Å; S2-L4 VanDerWaalsContact O-N 3.11Å; S2-K5 WeakPolarHBondContact O-CB 3.12Å; S2-K5 PolarHBondContact O-N 3.49Å
3	F	61.7	Low	78	Confident	153 Å²	153	65.3 Å²	65.3	67%	0.671	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-59.4	-18.7	177.4	-72.5	-77.7	0	0	0	115.8	M1 R32	M1-F3 PolarHBondContact O-N 3.47Å; F3-R32 PolarHBondContact O-NH1 3.34Å
4	L	73.9	Confident	76.7	Confident	82 Å²	82	64.5 Å²	64.5	43%	0.429	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-85.9	-13.2	177.2	-66.1	173.4	0	0	0	112.9	M1 S2 N6 Y67 R146	M1-L4 PolarHBondContact O-N 3.39Å; M1-L4 VanDerWaalsContact O-N 3.11Å; S2-L4 PolarHBondContact O-N 3.31Å; S2-L4 VanDerWaalsContact O-N 3.11Å; L4-N6 PolarHBondContact O-N 3.13Å; L4-N6 PolarHBondContact O-OD1 3.23Å; L4-Y67 HydrophobicContact CB-CD1 4.02Å; L4-Y67 HydrophobicContact CB-CE1 3.67Å; L4-Y67 HydrophobicContact CD1-CE1 4.45Å; L4-R146 PolarHBondContact O-NH1 3.23Å
5	K	85.5	Confident	75	Confident	70 Å²	70	69.3 Å²	69.3	30%	0.304	36%	0.361	S	S	.	.			trans	-83.4	110.2	176.7	-64.4	-173.6	169.8	-160.9	0	108.5	S2 D65 A66 Y67	S2-K5 WeakPolarHBondContact O-CB 3.12Å; S2-K5 PolarHBondContact O-N 3.49Å; K5-D65 HydrophobicContact CB-CB 4.24Å; K5-D65 HydrophobicContact CD-CB 3.52Å; K5-D65 WeakPolarHBondContact CD-O 3.37Å; K5-D65 WeakPolarHBondContact CE-O 3.44Å; K5-D65 PolarHBondContact NZ-O 3.47Å; K5-A66 CarbonylContact C-O 3.51Å; K5-A66 VanDerWaalsContact CA-O 3.3Å; K5-A66 WeakPolarHBondContact CA-O 3.45Å; K5-A66 WeakPolarHBondContact CB-O 3.37Å; K5-Y67 HydrophobicContact CG-CD1 4.27Å; K5-Y67 HydrophobicContact CG-CD2 4.32Å; K5-Y67 HydrophobicContact CG-CE1 4.2Å; K5-Y67 HydrophobicContact CG-CE2 4.21Å; K5-Y67 HydrophobicContact CG-CG 4.35Å
6	N	87.1	Confident	72.7	Confident	15 Å²	15	72.1 Å²	72.1	8%	0.08	39%	0.388	C	S	.	.			trans	-97.6	-16	-172.9	-65.1	-10.8	0	0	0	112.7	L4 N31 R32 F33 A66 R146	L4-N6 PolarHBondContact O-N 3.13Å; L4-N6 PolarHBondContact O-OD1 3.23Å; N6-N31 WeakPolarHBondContact O-CA 3.36Å; N6-R32 PolarHBondContact O-N 2.91Å; N6-F33 HydrophobicContact CB-CD2 4.44Å; N6-F33 HydrophobicContact CB-CE2 4.16Å; N6-F33 VanDerWaalsContact ND2-CE2 3.28Å; N6-F33 WeakPolarHBondContact ND2-CE2 3.4Å; N6-A66 PolarHBondContact N-O 3.32Å; N6-R146 PolarHBondContact ND2-NE 3.47Å; N6-R146 PolarHBondContact ND2-NH1 3.32Å; N6-R146 PolarHBondContact ND2-NH2 3.26Å
7	C	92.3	Very high	70.5	Confident	4 Å²	4	75 Å²	75	3%	0.027	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.2	-178.8	-62.2	0	0	0	0	109.1	L29 E30 A66	C7-L29 HydrophobicContact CB-CD1 3.91Å; C7-E30 CarbonylContact C-O 3.57Å; C7-E30 VanDerWaalsContact CA-O 3.31Å; C7-E30 WeakPolarHBondContact CA-O 3.46Å; C7-A66 HydrophobicContact CB-CB 4.2Å; C7-A66 PolarHBondContact N-O 2.86Å; C7-A66 VanDerWaalsContact N-O 3.15Å; C7-A66 PolarHBondContact O-N 3Å
8	R	93.5	Very high	68.6	Low	89 Å²	89	80.6 Å²	80.6	34%	0.336	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.2	170.1	178.6	-179.8	-61.2	144.3	-7.8	109.5	L10 E30 K62 D65	R8-L10 HydrophobicContact CG-CD2 3.8Å; R8-L10 HydrophobicContact CG-CG 4.48Å; R8-E30 HydrophobicContact CB-CB 4.22Å; R8-E30 WeakPolarHBondContact CD-OE2 3.4Å; R8-E30 IonicContact CZ-OE2 2.72Å; R8-E30 PolarHBondContact N-O 2.89Å; R8-E30 IonicContact NE-OE2 3.88Å; R8-E30 IonicContact NH1-OE1 3.28Å; R8-E30 IonicContact NH1-OE2 2.81Å; R8-E30 PolarHBondContact NH1-OE2 3.09Å; R8-E30 PolarHBondContact O-N 2.68Å; R8-K62 HydrophobicContact CG-CD 4.45Å; R8-K62 HydrophobicContact CG-CG 4.04Å; R8-D65 WeakPolarHBondContact CG-OD1 3.24Å; R8-D65 IonicContact CZ-OD1 3.1Å; R8-D65 IonicContact NE-OD1 3.63Å; R8-D65 PolarHBondContact NE-OD1 3.33Å
9	V	92.9	Very high	67.1	Low	0 Å²	0	79.7 Å²	79.7	0%	0	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.1	176	-178.5	0	0	0	0	109.2	V27 I28 L29 A63 V64 L92 L94	V9-V27 HydrophobicContact CG1-CG1 3.57Å; V9-I28 CarbonylContact C-O 3.58Å; V9-I28 VanDerWaalsContact CA-O 3.31Å; V9-I28 WeakPolarHBondContact CA-O 3.35Å; V9-L29 HydrophobicContact CG2-CD1 3.98Å; V9-A63 PolarHBondContact O-N 3.28Å; V9-V64 PolarHBondContact N-O 3.35Å; V9-V64 PolarHBondContact O-N 3.35Å; V9-L92 HydrophobicContact CG2-CD2 3.8Å; V9-L94 HydrophobicContact CG2-CD1 3.59Å; V9-L94 HydrophobicContact CG2-CD2 4.16Å
10	L	92.2	Very high	65.5	Low	8 Å²	8	86.3 Å²	86.3	4%	0.042	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.6	175.2	-44	172.2	0	0	0	109.1	R8 I28 F53 K57 Y60 T61 K62	R8-L10 HydrophobicContact CG-CD2 3.8Å; R8-L10 HydrophobicContact CG-CG 4.48Å; L10-I28 HydrophobicContact CB-CB 4.23Å; L10-I28 HydrophobicContact CD1-CB 4.46Å; L10-I28 HydrophobicContact CD1-CG2 4.3Å; L10-I28 PolarHBondContact N-O 2.97Å; L10-I28 PolarHBondContact O-N 3.32Å; L10-F53 HydrophobicContact CD1-CE2 3.96Å; L10-F53 HydrophobicContact CD1-CZ 4.28Å; L10-K57 HydrophobicContact CD1-CG 4.27Å; L10-Y60 HydrophobicContact CB-CD1 4.19Å; L10-Y60 HydrophobicContact CB-CG 4.33Å; L10-T61 CarbonylContact C-O 3.58Å; L10-T61 VanDerWaalsContact CA-O 3.26Å; L10-T61 WeakPolarHBondContact CA-O 3.33Å; L10-K62 HydrophobicContact CD2-CB 4.11Å; L10-K62 HydrophobicContact CD2-CG 4.32Å
11	L	88.2	Confident	64.1	Low	40 Å²	40	86.4 Å²	86.4	21%	0.209	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.1	176.8	-61.6	176.6	0	0	0	109.3	S13 V27 Y60 T61 A63 I118	L11-S13 PolarHBondContact O-N 2.92Å; L11-V27 HydrophobicContact CD2-CB 4.29Å; L11-V27 HydrophobicContact CD2-CG1 4.11Å; L11-V27 HydrophobicContact CD2-CG2 3.68Å; L11-Y60 VanDerWaalsContact C-CD1 3.41Å; L11-Y60 CarbonylContact O-C 3.55Å; L11-Y60 VanDerWaalsContact O-CA 3.31Å; L11-Y60 WeakPolarHBondContact O-CA 3.37Å; L11-T61 PolarHBondContact N-O 3.11Å; L11-T61 PolarHBondContact O-N 3.48Å; L11-T61 PolarHBondContact O-OG1 3.48Å; L11-A63 HydrophobicContact CD1-CB 3.51Å; L11-A63 HydrophobicContact CG-CB 3.58Å; L11-I118 HydrophobicContact CD2-CG2 4.21Å
12	K	83.8	Confident	64.1	Low	79 Å²	79	83.6 Å²	83.6	34%	0.343	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	129.3	177.4	-167.1	175.2	-177.7	-178.4	0	109.8	A14 N26 Y60	K12-A14 PolarHBondContact O-N 3.01Å; K12-N26 HydrophobicContact CB-CB 4.2Å; K12-N26 HydrophobicContact CD-CB 4.23Å; K12-N26 PolarHBondContact N-O 3.27Å; K12-Y60 HydrophobicContact CB-CD1 4.08Å; K12-Y60 HydrophobicContact CB-CE1 3.8Å; K12-Y60 HydrophobicContact CB-CE2 4.39Å; K12-Y60 HydrophobicContact CB-CG 4.47Å; K12-Y60 HydrophobicContact CG-CE2 4.33Å
13	S	65.9	Low	63.7	Low	42 Å²	42	85.1 Å²	85.1	29%	0.294	47%	0.47	S	S	.	.			trans	-64.4	130.7	174.4	48.9	0	0	0	0	109.2	L11 N15 Q59	L11-S13 PolarHBondContact O-N 2.92Å; S13-N15 PolarHBondContact O-N 3Å; S13-Q59 PolarHBondContact N-O 2.92Å; S13-Q59 PolarHBondContact OG-O 3.2Å; S13-Q59 VanDerWaalsContact OG-O 3.08Å
14	A	59.6	Low	63.2	Low	54 Å²	54	83.6 Å²	83.6	45%	0.446	47%	0.465	S	S	.	.			trans	-65	107.9	168.1	0	0	0	0	0	107.5	K12 S16	K12-A14 PolarHBondContact O-N 3.01Å; A14-S16 PolarHBondContact O-N 3.38Å
15	N	50.2	Low	62.8	Low	136 Å²	136	82.4 Å²	82.4	73%	0.727	46%	0.455	S	S	*	.			trans	-61.5	126.5	165	-78	-6.8	0	0	0	106.8	S13 D17	S13-N15 PolarHBondContact O-N 3Å; N15-D17 PolarHBondContact O-N 3.43Å; N15-D17 VanDerWaalsContact O-N 3.14Å
16	S	39.5	Very low	62.6	Low	114 Å²	114	79.3 Å²	79.3	80%	0.797	44%	0.442	S	S	*	.			trans	-72.7	6.8	-178.9	47.4	0	0	0	0	114	A14	A14-S16 PolarHBondContact O-N 3.38Å
17	D	35.1	Very low	62.7	Low	122 Å²	122	78.8 Å²	78.8	65%	0.652	44%	0.439	S	S	*	.			trans	-118.4	114.5	-167.2	-65.6	-27.2	0	0	0	112.8	N15	N15-D17 PolarHBondContact O-N 3.43Å; N15-D17 VanDerWaalsContact O-N 3.14Å
18	I	36	Very low	62.8	Low	176 Å²	176	78.6 Å²	78.6	90%	0.903	44%	0.438	S	S	*	.	S	Bend	trans	69	110.6	145.3	-49	167	0	0	0	118.2
19	G	39.1	Very low	62.8	Low	64 Å²	64	74.4 Å²	74.4	66%	0.66	42%	0.422	S	S	*	.			trans	113.4	120.6	151.5	0	0	0	0	0	116.4	S21	G19-S21 PolarHBondContact O-N 3.35Å
20	E	36.2	Very low	62.9	Low	210 Å²	210	76.1 Å²	76.1	98%	0.981	43%	0.43	S	S	*	.			trans	-64.8	55.6	-176.4	-62.1	-178.8	148.1	0	0	115.6
21	S	35.7	Very low	62.8	Low	89 Å²	89	76.4 Å²	76.4	62%	0.622	43%	0.431	S	S	*	.	S	Bend	trans	-94.1	140.9	162.4	62.1	0	0	0	0	109.9	G19 Q23	G19-S21 PolarHBondContact O-N 3.35Å; S21-Q23 PolarHBondContact O-N 3.43Å
22	P	42.6	Very low	62.7	Low	120 Å²	120	81.7 Å²	81.7	78%	0.779	45%	0.449	S	S	*	.			trans	-57.4	115.6	178.1	22.4	-31.2	0	0	0	108.7	Q24	P22-Q24 PolarHBondContact O-N 3.12Å
23	Q	46.7	Very low	62.7	Low	121 Å²	121	82.2 Å²	82.2	57%	0.565	45%	0.451	S	S	*	.			trans	-46.2	112.5	-176	-80.4	167.8	-38.8	0	0	110.7	S21 Y25	S21-Q23 PolarHBondContact O-N 3.43Å; Q23-Y25 HydrophobicContact CB-CD2 4.13Å; Q23-Y25 HydrophobicContact CB-CE1 4.37Å; Q23-Y25 HydrophobicContact CB-CE2 3.49Å; Q23-Y25 VanDerWaalsContact CB-CE2 3.49Å; Q23-Y25 VanDerWaalsContact CD-OH 3.32Å; Q23-Y25 WeakPolarHBondContact O-CD2 3.48Å; Q23-Y25 WeakPolarHBondContact O-CE2 3.49Å; Q23-Y25 PolarHBondContact O-N 3.15Å; Q23-Y25 PolarHBondContact OE1-OH 3.38Å
24	Q	50.8	Low	63.7	Low	120 Å²	120	81.6 Å²	81.6	56%	0.561	45%	0.446	S	S	*	.			trans	-73.8	107.6	171.7	-74.6	178.4	-16.9	0	0	108.6	P22	P22-Q24 PolarHBondContact O-N 3.12Å
25	Y	65.6	Low	65.1	Low	58 Å²	58	89.2 Å²	89.2	23%	0.227	46%	0.463	C	S	.	.			trans	-91.6	121.4	179.4	-70.8	-75.2	0	0	0	110.7	Q23 K121 Q123	Q23-Y25 HydrophobicContact CB-CD2 4.13Å; Q23-Y25 HydrophobicContact CB-CE1 4.37Å; Q23-Y25 HydrophobicContact CB-CE2 3.49Å; Q23-Y25 VanDerWaalsContact CB-CE2 3.49Å; Q23-Y25 VanDerWaalsContact CD-OH 3.32Å; Q23-Y25 WeakPolarHBondContact O-CD2 3.48Å; Q23-Y25 WeakPolarHBondContact O-CE2 3.49Å; Q23-Y25 PolarHBondContact O-N 3.15Å; Q23-Y25 PolarHBondContact OE1-OH 3.38Å; Y25-K121 WeakPolarHBondContact CD2-O 3.42Å; Y25-Q123 HydrophobicContact CD1-CG 4.26Å; Y25-Q123 HydrophobicContact CE1-CB 4.43Å; Y25-Q123 HydrophobicContact CE1-CG 3.35Å
26	N	81.5	Confident	67.1	Low	5 Å²	5	83.1 Å²	83.1	3%	0.027	43%	0.433	C	S	.	.			trans	-119.3	137.1	-175.7	-59.3	2.5	0	0	0	109.8	K12 L39 F40 D41 Y60	K12-N26 HydrophobicContact CB-CB 4.2Å; K12-N26 HydrophobicContact CD-CB 4.23Å; K12-N26 PolarHBondContact N-O 3.27Å; N26-L39 HydrophobicContact CB-CD1 4.38Å; N26-F40 WeakPolarHBondContact CA-O 3.37Å; N26-D41 VanDerWaalsContact CG-CG 3.45Å; N26-D41 VanDerWaalsContact ND2-CG 3.32Å; N26-D41 PolarHBondContact ND2-OD2 3.31Å; N26-D41 VanDerWaalsContact OD1-CG 3.24Å; N26-D41 PolarHBondContact OD1-OD1 2.88Å; N26-D41 VanDerWaalsContact OD1-OD1 3.1Å; N26-Y60 HydrophobicContact CB-CE1 3.85Å; N26-Y60 WeakPolarHBondContact CB-OH 3.44Å; N26-Y60 PolarHBondContact ND2-OH 3.26Å; N26-Y60 WeakPolarHBondContact O-CE1 3.25Å
27	V	89.7	Confident	69.7	Low	3 Å²	3	77.7 Å²	77.7	2%	0.018	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134	179	-175.9	0	0	0	0	108.6	V9 L11 F40 M120	V9-V27 HydrophobicContact CG1-CG1 3.57Å; L11-V27 HydrophobicContact CD2-CB 4.29Å; L11-V27 HydrophobicContact CD2-CG1 4.11Å; L11-V27 HydrophobicContact CD2-CG2 3.68Å; V27-F40 HydrophobicContact CB-CB 4.26Å; V27-F40 HydrophobicContact CB-CD2 4.44Å; V27-F40 PolarHBondContact N-O 2.97Å; V27-F40 PolarHBondContact O-N 2.87Å; V27-M120 HydrophobicContact CB-CE 3.51Å; V27-M120 HydrophobicContact CB-SD 4.09Å; V27-M120 HydrophobicContact CG1-CE 4.05Å; V27-M120 HydrophobicContact CG1-SD 4.23Å; V27-M120 HydrophobicContact CG2-CE 3.6Å; V27-M120 HydrophobicContact CG2-SD 3.75Å
28	I	93	Very high	72.6	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131	169.8	-67.7	173.6	0	0	0	109.4	V9 L10 A37 L38 L39 I48 F53 R56 Y60	V9-I28 CarbonylContact C-O 3.58Å; V9-I28 VanDerWaalsContact CA-O 3.31Å; V9-I28 WeakPolarHBondContact CA-O 3.35Å; L10-I28 HydrophobicContact CB-CB 4.23Å; L10-I28 HydrophobicContact CD1-CB 4.46Å; L10-I28 HydrophobicContact CD1-CG2 4.3Å; L10-I28 PolarHBondContact N-O 2.97Å; L10-I28 PolarHBondContact O-N 3.32Å; I28-A37 HydrophobicContact CG2-CB 3.46Å; I28-A37 VanDerWaalsContact CG2-CB 3.46Å; I28-L38 CarbonylContact C-O 3.59Å; I28-L38 VanDerWaalsContact CA-O 3.28Å; I28-L38 WeakPolarHBondContact CA-O 3.36Å; I28-L39 HydrophobicContact CD1-CD1 4.45Å; I28-L39 HydrophobicContact CG1-CD1 3.81Å; I28-I48 HydrophobicContact CD1-CD1 4.41Å; I28-F53 HydrophobicContact CD1-CD2 4.48Å; I28-F53 HydrophobicContact CG2-CD2 4.14Å; I28-F53 HydrophobicContact CG2-CE2 3.77Å; I28-R56 HydrophobicContact CD1-CB 4.29Å; I28-Y60 HydrophobicContact CB-CD1 4.31Å; I28-Y60 HydrophobicContact CB-CE1 4.39Å; I28-Y60 HydrophobicContact CD1-CD1 3.79Å; I28-Y60 HydrophobicContact CD1-CD2 3.83Å; I28-Y60 HydrophobicContact CD1-CE1 3.65Å; I28-Y60 HydrophobicContact CD1-CE2 3.7Å; I28-Y60 HydrophobicContact CD1-CG 3.9Å; I28-Y60 HydrophobicContact CG1-CD1 3.9Å; I28-Y60 HydrophobicContact CG1-CE1 3.59Å
29	L	94.7	Very high	75.3	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	108.7	168.1	174.2	66.6	0	0	0	109.4	C7 V9 L38 F40 C69 L92 W206	C7-L29 HydrophobicContact CB-CD1 3.91Å; V9-L29 HydrophobicContact CG2-CD1 3.98Å; L29-L38 HydrophobicContact CB-CB 4.26Å; L29-L38 HydrophobicContact CD2-CD1 4.45Å; L29-L38 PolarHBondContact N-O 2.81Å; L29-L38 PolarHBondContact O-N 2.9Å; L29-F40 HydrophobicContact CB-CE2 4.01Å; L29-C69 HydrophobicContact CD2-CB 4.04Å; L29-L92 HydrophobicContact CB-CD2 4.48Å; L29-L92 HydrophobicContact CD1-CD2 4.41Å; L29-W206 HydrophobicContact CD2-CE3 4.44Å; L29-W206 WeakPolarHBondContact O-CZ3 3.43Å
30	E	93.9	Very high	77.7	Confident	37 Å²	37	61.1 Å²	61.1	17%	0.173	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	132.6	169.6	177.2	-177.8	-143.6	0	0	108.9	C7 R8 F53 K57	C7-E30 CarbonylContact C-O 3.57Å; C7-E30 VanDerWaalsContact CA-O 3.31Å; C7-E30 WeakPolarHBondContact CA-O 3.46Å; R8-E30 HydrophobicContact CB-CB 4.22Å; R8-E30 WeakPolarHBondContact CD-OE2 3.4Å; R8-E30 IonicContact CZ-OE2 2.72Å; R8-E30 PolarHBondContact N-O 2.89Å; R8-E30 IonicContact NE-OE2 3.88Å; R8-E30 IonicContact NH1-OE1 3.28Å; R8-E30 IonicContact NH1-OE2 2.81Å; R8-E30 PolarHBondContact NH1-OE2 3.09Å; R8-E30 PolarHBondContact O-N 2.68Å; E30-F53 HydrophobicContact CB-CZ 4.2Å; E30-F53 HydrophobicContact CG-CE1 4.41Å; E30-F53 HydrophobicContact CG-CZ 4.15Å; E30-K57 IonicContact OE1-NZ 2.97Å
31	N	90	Very high	80.1	Confident	13 Å²	13	51.9 Å²	51.9	7%	0.07	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.6	170	-178.4	-10.6	0	0	0	109	N6 F33 V34 D205 W206	N6-N31 WeakPolarHBondContact O-CA 3.36Å; N31-F33 PolarHBondContact O-N 3.3Å; N31-F33 PolarHBondContact OD1-N 3.33Å; N31-V34 HydrophobicContact CB-CB 4.25Å; N31-V34 HydrophobicContact CB-CG2 4.17Å; N31-V34 PolarHBondContact O-N 3.43Å; N31-D205 PolarHBondContact ND2-O 2.97Å; N31-W206 HydrophobicContact CB-CE3 3.79Å; N31-W206 HydrophobicContact CB-CZ3 3.73Å
32	R	86.2	Confident	81.8	Confident	151 Å²	151	50.5 Å²	50.5	57%	0.57	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-25.8	-175.4	-167.4	175.4	-170	-171.3	-0.5	114.8	F3 N6	F3-R32 PolarHBondContact O-NH1 3.34Å; N6-R32 PolarHBondContact O-N 2.91Å
33	F	84.3	Confident	83.3	Confident	90 Å²	90	48 Å²	48	40%	0.395	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-1.6	-176.6	-60	-77.8	0	0	0	113.9	N6 N31 D150	N6-F33 HydrophobicContact CB-CD2 4.44Å; N6-F33 HydrophobicContact CB-CE2 4.16Å; N6-F33 VanDerWaalsContact ND2-CE2 3.28Å; N6-F33 WeakPolarHBondContact ND2-CE2 3.4Å; N31-F33 PolarHBondContact O-N 3.3Å; N31-F33 PolarHBondContact OD1-N 3.33Å; F33-D150 WeakPolarHBondContact CD1-O 3.33Å; F33-D150 WeakPolarHBondContact CE1-O 3.26Å
34	V	86.9	Confident	85.1	Confident	30 Å²	30	42.6 Å²	42.6	18%	0.182	21%	0.212	C	C	.	.	S	Bend	trans	-117.2	131.1	178.8	-173.9	0	0	0	0	108.4	N31 D205 W206	N31-V34 HydrophobicContact CB-CB 4.25Å; N31-V34 HydrophobicContact CB-CG2 4.17Å; N31-V34 PolarHBondContact O-N 3.43Å; V34-D205 HydrophobicContact CG2-CB 4.33Å; V34-D205 WeakPolarHBondContact CG2-O 3.44Å; V34-W206 HydrophobicContact CB-CH2 4.01Å; V34-W206 HydrophobicContact CB-CZ2 4.16Å; V34-W206 HydrophobicContact CB-CZ3 4.34Å; V34-W206 HydrophobicContact CG1-CH2 3.71Å; V34-W206 HydrophobicContact CG1-CZ2 3.44Å; V34-W206 VanDerWaalsContact CG1-CZ2 3.44Å; V34-W206 HydrophobicContact CG1-CZ3 4.47Å
35	R	89.1	Confident	87	Confident	213 Å²	213	37.9 Å²	37.9	80%	0.804	19%	0.191	S	C	*	.	S	Bend	trans	-70.3	136.3	174.7	-72.3	-171.2	176.1	-169.5	-1.1	109.8	H47 P50	R35-H47 PolarHBondContact O-NE2 3.15Å; R35-P50 HydrophobicContact CB-CG 3.98Å
36	G	92.2	Very high	88.2	Confident	9 Å²	9	35.3 Å²	35.3	9%	0.093	18%	0.181	C	C	.	.	S	Bend	trans	83.3	-153.4	-175.7	0	0	0	0	0	112.3	I48	G36-I48 VanDerWaalsContact CA-O 3.28Å; G36-I48 WeakPolarHBondContact CA-O 3.39Å
37	A	95.1	Very high	88.8	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	163.2	-179.7	0	0	0	0	0	111.8	I28 H47 I48 F53 W206	I28-A37 HydrophobicContact CG2-CB 3.46Å; I28-A37 VanDerWaalsContact CG2-CB 3.46Å; A37-H47 PolarHBondContact O-CD2 3.46Å; A37-I48 HydrophobicContact CB-CD1 4.31Å; A37-I48 HydrophobicContact CB-CG1 4.09Å; A37-I48 PolarHBondContact N-O 3.37Å; A37-I48 VanDerWaalsContact N-O 3.14Å; A37-I48 WeakPolarHBondContact O-CG1 3.41Å; A37-I48 PolarHBondContact O-N 2.95Å; A37-F53 HydrophobicContact CB-CD2 3.59Å; A37-F53 HydrophobicContact CB-CE2 3.86Å; A37-F53 HydrophobicContact CB-CG 3.96Å; A37-F53 HydrophobicContact CB-CZ 4.4Å; A37-W206 VanDerWaalsContact C-CH2 3.47Å
38	L	94.8	Very high	88.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124.5	164.8	-70.7	-175.6	0	0	0	109.9	I28 L29 F40 A46 H47 L196 I201 W206	I28-L38 CarbonylContact C-O 3.59Å; I28-L38 VanDerWaalsContact CA-O 3.28Å; I28-L38 WeakPolarHBondContact CA-O 3.36Å; L29-L38 HydrophobicContact CB-CB 4.26Å; L29-L38 HydrophobicContact CD2-CD1 4.45Å; L29-L38 PolarHBondContact N-O 2.81Å; L29-L38 PolarHBondContact O-N 2.9Å; L38-F40 HydrophobicContact CB-CE2 3.84Å; L38-F40 HydrophobicContact CB-CZ 4.36Å; L38-F40 HydrophobicContact CD1-CZ 4.32Å; L38-A46 CarbonylContact C-O 2.89Å; L38-A46 WeakPolarHBondContact CA-O 3.46Å; L38-H47 HydrophobicContact CD2-CB 3.9Å; L38-L196 HydrophobicContact CD1-CD2 4.04Å; L38-L196 HydrophobicContact CD1-CG 4.39Å; L38-I201 HydrophobicContact CD2-CD1 3.72Å; L38-I201 HydrophobicContact CD2-CG1 4.41Å; L38-I201 HydrophobicContact CD2-CG2 4.11Å; L38-W206 HydrophobicContact CB-CE3 4.42Å; L38-W206 HydrophobicContact CB-CZ3 4.36Å; L38-W206 HydrophobicContact CD1-CB 3.96Å; L38-W206 HydrophobicContact CD1-CD2 3.45Å; L38-W206 VanDerWaalsContact CD1-CD2 3.45Å; L38-W206 HydrophobicContact CD1-CE3 3.82Å; L38-W206 HydrophobicContact CD1-CG 3.48Å; L38-W206 VanDerWaalsContact CD1-CG 3.48Å; L38-W206 HydrophobicContact CD2-CD2 4.01Å; L38-W206 HydrophobicContact CD2-CG 4.47Å; L38-W206 HydrophobicContact CD2-CH2 4.26Å; L38-W206 HydrophobicContact CD2-CZ2 3.65Å; L38-W206 HydrophobicContact CG-CD2 3.39Å; L38-W206 VanDerWaalsContact CG-CE2 3.42Å; L38-W206 HydrophobicContact CG-CE3 3.58Å; L38-W206 HydrophobicContact CG-CG 3.97Å; L38-W206 HydrophobicContact CG-CH2 3.85Å; L38-W206 HydrophobicContact CG-CZ2 3.65Å; L38-W206 HydrophobicContact CG-CZ3 3.8Å
39	L	93.1	Very high	88.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133.4	169.6	176.8	64.4	0	0	0	109.3	N26 I28 D41 I45 A46 I48 R56 L978	N26-L39 HydrophobicContact CB-CD1 4.38Å; I28-L39 HydrophobicContact CD1-CD1 4.45Å; I28-L39 HydrophobicContact CG1-CD1 3.81Å; L39-D41 HydrophobicContact CD1-CB 4.4Å; L39-D41 HydrophobicContact CD2-CB 4.39Å; L39-D41 HydrophobicContact CG-CB 4.18Å; L39-I45 WeakPolarHBondContact O-CA 3.22Å; L39-A46 PolarHBondContact N-O 2.91Å; L39-A46 PolarHBondContact O-N 3.49Å; L39-I48 HydrophobicContact CB-CD1 4.36Å; L39-I48 HydrophobicContact CB-CG1 4.45Å; L39-I48 HydrophobicContact CB-CG2 3.8Å; L39-I48 HydrophobicContact CD2-CG2 4.08Å; L39-R56 VanDerWaalsContact CD2-NH1 3.29Å; L39-L978 HydrophobicContact CD2-CD1 4.13Å; L39-L978 HydrophobicContact CD2-CD2 4.01Å
40	F	90.2	Very high	88.6	Confident	13 Å²	13	42.3 Å²	42.3	6%	0.057	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.3	169.1	-57.4	-104.4	0	0	0	107.9	N26 V27 L29 L38 A44 I45 V72 L92 M120	N26-F40 WeakPolarHBondContact CA-O 3.37Å; V27-F40 HydrophobicContact CB-CB 4.26Å; V27-F40 HydrophobicContact CB-CD2 4.44Å; V27-F40 PolarHBondContact N-O 2.97Å; V27-F40 PolarHBondContact O-N 2.87Å; L29-F40 HydrophobicContact CB-CE2 4.01Å; L38-F40 HydrophobicContact CB-CE2 3.84Å; L38-F40 HydrophobicContact CB-CZ 4.36Å; L38-F40 HydrophobicContact CD1-CZ 4.32Å; F40-A44 WeakPolarHBondContact CA-O 3.31Å; F40-I45 HydrophobicContact CD1-CB 4.3Å; F40-I45 HydrophobicContact CD1-CD1 4.06Å; F40-I45 HydrophobicContact CD1-CG1 3.72Å; F40-I45 HydrophobicContact CD1-CG2 3.9Å; F40-I45 HydrophobicContact CE1-CB 4.41Å; F40-I45 HydrophobicContact CE1-CD1 3.83Å; F40-I45 HydrophobicContact CE1-CG1 3.94Å; F40-I45 HydrophobicContact CE1-CG2 3.66Å; F40-I45 HydrophobicContact CZ-CG2 4.11Å; F40-V72 HydrophobicContact CE1-CG2 3.74Å; F40-V72 HydrophobicContact CZ-CG2 4.27Å; F40-L92 HydrophobicContact CE2-CD1 4.45Å; F40-L92 HydrophobicContact CZ-CD1 3.96Å; F40-M120 HydrophobicContact CB-CE 2.98Å; F40-M120 HydrophobicContact CD1-CE 3.37Å; F40-M120 HydrophobicContact CD2-CE 3.67Å; F40-M120 HydrophobicContact CE1-CE 4.19Å; F40-M120 HydrophobicContact CE2-CE 4.43Å; F40-M120 HydrophobicContact CG-CE 3.07Å
41	D	85.3	Confident	88.2	Confident	16 Å²	16	44.3 Å²	44.3	9%	0.086	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	128.9	-173.3	-173.2	-18.8	0	0	0	108.6	N26 L39 G43 A44 L978	N26-D41 VanDerWaalsContact CG-CG 3.45Å; N26-D41 VanDerWaalsContact ND2-CG 3.32Å; N26-D41 PolarHBondContact ND2-OD2 3.31Å; N26-D41 VanDerWaalsContact OD1-CG 3.24Å; N26-D41 PolarHBondContact OD1-OD1 2.88Å; N26-D41 VanDerWaalsContact OD1-OD1 3.1Å; L39-D41 HydrophobicContact CD1-CB 4.4Å; L39-D41 HydrophobicContact CD2-CB 4.39Å; L39-D41 HydrophobicContact CG-CB 4.18Å; D41-G43 PolarHBondContact O-N 3.08Å; D41-A44 PolarHBondContact N-O 3.48Å; D41-A44 VanDerWaalsContact N-O 3.15Å; D41-A44 WeakPolarHBondContact O-CA 3.23Å; D41-A44 WeakPolarHBondContact O-CB 3.49Å; D41-A44 PolarHBondContact O-N 3.21Å; D41-L978 HydrophobicContact CB-CD1 4.04Å; D41-L978 HydrophobicContact CB-CD2 4.46Å
42	S	71.4	Confident	88.2	Confident	60 Å²	60	43.7 Å²	43.7	42%	0.42	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	29.4	170.4	-58	0	0	0	0	115
43	G	74	Confident	88.4	Confident	69 Å²	69	37 Å²	37	71%	0.711	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.7	-7.6	-177.8	0	0	0	0	0	115.5	D41	D41-G43 PolarHBondContact O-N 3.08Å
44	A	85	Confident	88.5	Confident	7 Å²	7	37.9 Å²	37.9	6%	0.058	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	155.6	170.9	0	0	0	0	0	111.8	F40 D41 L977 L978 I990	F40-A44 WeakPolarHBondContact CA-O 3.31Å; D41-A44 PolarHBondContact N-O 3.48Å; D41-A44 VanDerWaalsContact N-O 3.15Å; D41-A44 WeakPolarHBondContact O-CA 3.23Å; D41-A44 WeakPolarHBondContact O-CB 3.49Å; D41-A44 PolarHBondContact O-N 3.21Å; A44-L977 HydrophobicContact CB-CB 4.04Å; A44-L978 HydrophobicContact CB-CB 3.8Å; A44-L978 HydrophobicContact CB-CD2 4.17Å; A44-I990 HydrophobicContact CB-CG2 4.39Å
45	I	90.5	Very high	88.4	Confident	21 Å²	21	39.4 Å²	39.4	11%	0.108	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	123.9	172.6	-47.6	178.6	0	0	0	106.5	L39 F40 P195 L196 A199 I201	L39-I45 WeakPolarHBondContact O-CA 3.22Å; F40-I45 HydrophobicContact CD1-CB 4.3Å; F40-I45 HydrophobicContact CD1-CD1 4.06Å; F40-I45 HydrophobicContact CD1-CG1 3.72Å; F40-I45 HydrophobicContact CD1-CG2 3.9Å; F40-I45 HydrophobicContact CE1-CB 4.41Å; F40-I45 HydrophobicContact CE1-CD1 3.83Å; F40-I45 HydrophobicContact CE1-CG1 3.94Å; F40-I45 HydrophobicContact CE1-CG2 3.66Å; F40-I45 HydrophobicContact CZ-CG2 4.11Å; I45-P195 HydrophobicContact CD1-CB 3.65Å; I45-L196 HydrophobicContact CD1-CD1 4.19Å; I45-L196 HydrophobicContact CG2-CD1 4.49Å; I45-A199 HydrophobicContact CB-CB 3.89Å; I45-A199 WeakPolarHBondContact O-CB 3.25Å; I45-I201 HydrophobicContact CB-CD1 4.18Å; I45-I201 HydrophobicContact CG2-CD1 3.55Å
46	A	92.1	Very high	88.2	Confident	3 Å²	3	31 Å²	31	3%	0.025	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.6	-178.1	0	0	0	0	0	111.1	L38 L39 L978 I990	L38-A46 CarbonylContact C-O 2.89Å; L38-A46 WeakPolarHBondContact CA-O 3.46Å; L39-A46 PolarHBondContact N-O 2.91Å; L39-A46 PolarHBondContact O-N 3.49Å; A46-L978 HydrophobicContact CB-CD2 3.66Å; A46-I990 HydrophobicContact CB-CD1 3.82Å
47	H	92.7	Very high	88	Confident	82 Å²	82	34.4 Å²	34.4	38%	0.38	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	108.6	165.8	178.6	-162.6	0	0	0	108.5	R35 A37 L38 W206 H980	R35-H47 PolarHBondContact O-NE2 3.15Å; A37-H47 PolarHBondContact O-CD2 3.46Å; L38-H47 HydrophobicContact CD2-CB 3.9Å; H47-W206 AromaticContact CD2-CZ2 3.58Å; H47-W206 AromaticContact CG-CZ2 4Å; H47-W206 AromaticContact NE2-CZ2 3.81Å; H47-H980 PolarHBondContact O-CE1 2.54Å
48	I	92.9	Very high	87.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	142.1	177.8	59.3	168.7	0	0	0	110.5	I28 G36 A37 L39 E52 F53 H980	I28-I48 HydrophobicContact CD1-CD1 4.41Å; G36-I48 VanDerWaalsContact CA-O 3.28Å; G36-I48 WeakPolarHBondContact CA-O 3.39Å; A37-I48 HydrophobicContact CB-CD1 4.31Å; A37-I48 HydrophobicContact CB-CG1 4.09Å; A37-I48 PolarHBondContact N-O 3.37Å; A37-I48 VanDerWaalsContact N-O 3.14Å; A37-I48 WeakPolarHBondContact O-CG1 3.41Å; A37-I48 PolarHBondContact O-N 2.95Å; L39-I48 HydrophobicContact CB-CD1 4.36Å; L39-I48 HydrophobicContact CB-CG1 4.45Å; L39-I48 HydrophobicContact CB-CG2 3.8Å; L39-I48 HydrophobicContact CD2-CG2 4.08Å; I48-E52 HydrophobicContact CB-CB 4.4Å; I48-E52 HydrophobicContact CB-CG 4.32Å; I48-E52 HydrophobicContact CG2-CG 4.48Å; I48-F53 HydrophobicContact CD1-CB 3.95Å; I48-F53 HydrophobicContact CD1-CD2 4.19Å; I48-F53 HydrophobicContact CG1-CB 4.29Å; I48-H980 HydrophobicContact CG2-CB 4.38Å
49	S	91.3	Very high	87	Confident	16 Å²	16	43.1 Å²	43.1	11%	0.112	24%	0.243	C	C	.	.			trans	-66.5	161.8	-179.8	67.2	0	0	0	0	111.8	Y51 E52 F53 F981 L982	S49-Y51 PolarHBondContact O-N 3.02Å; S49-E52 PolarHBondContact O-N 2.85Å; S49-E52 PolarHBondContact OG-N 3.08Å; S49-F53 VanDerWaalsContact O-CB 3.3Å; S49-F53 WeakPolarHBondContact O-CB 3.4Å; S49-F53 PolarHBondContact O-N 3.24Å; S49-F981 PolarHBondContact OG-O 3.39Å; S49-L982 WeakPolarHBondContact CB-O 3.36Å; S49-L982 PolarHBondContact OG-O 3.4Å
50	P	89.9	Confident	86.8	Confident	59 Å²	59	44 Å²	44	38%	0.383	25%	0.247	S	C	.	.	H	α-helix	trans	-54.3	-40.3	172.7	-26.4	35	0	0	0	112.9	R35 F53 D54	R35-P50 HydrophobicContact CB-CG 3.98Å; P50-F53 PolarHBondContact O-N 3.04Å; P50-D54 PolarHBondContact O-N 3.22Å
51	Y	85.4	Confident	86.8	Confident	79 Å²	79	47.2 Å²	47.2	31%	0.31	27%	0.267	S	S	.	.	H	α-helix	trans	-57.5	-52.5	177.7	170.4	-105.3	0	0	0	111.9	S49 F55 L956 P984	S49-Y51 PolarHBondContact O-N 3.02Å; Y51-F55 PolarHBondContact O-N 2.81Å; Y51-L956 HydrophobicContact CE1-CD2 3.77Å; Y51-P984 HydrophobicContact CD1-CG 4.14Å; Y51-P984 HydrophobicContact CD2-CG 4.37Å; Y51-P984 HydrophobicContact CE1-CB 4.16Å; Y51-P984 HydrophobicContact CE1-CG 3.83Å; Y51-P984 HydrophobicContact CE2-CG 4.08Å; Y51-P984 HydrophobicContact CG-CG 4.4Å
52	E	88.8	Confident	87	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-70.4	-34.8	178.6	-179.8	170.3	-159.9	0	0	112.2	I48 S49 F55 R56 H980 F981	I48-E52 HydrophobicContact CB-CB 4.4Å; I48-E52 HydrophobicContact CB-CG 4.32Å; I48-E52 HydrophobicContact CG2-CG 4.48Å; S49-E52 PolarHBondContact O-N 2.85Å; S49-E52 PolarHBondContact OG-N 3.08Å; E52-F55 PolarHBondContact O-N 2.94Å; E52-R56 HydrophobicContact CG-CG 4.2Å; E52-R56 WeakPolarHBondContact O-CB 3.36Å; E52-R56 WeakPolarHBondContact O-CG 3.38Å; E52-R56 PolarHBondContact O-N 3.28Å; E52-R56 IonicContact OE1-CZ 3.43Å; E52-R56 IonicContact OE1-NE 3.3Å; E52-R56 PolarHBondContact OE1-NE 3.08Å; E52-R56 IonicContact OE1-NH2 2.73Å; E52-R56 PolarHBondContact OE1-NH2 3.48Å; E52-H980 WeakPolarHBondContact OE1-CB 3.49Å; E52-H980 VanDerWaalsContact OE2-CB 3.32Å; E52-H980 WeakPolarHBondContact OE2-CB 3.45Å; E52-H980 IonicContact OE2-CG 2.71Å; E52-H980 IonicContact OE2-ND1 3.49Å; E52-H980 PolarHBondContact OE2-ND1 3.02Å; E52-F981 PolarHBondContact OE2-N 3.41Å; E52-F981 VanDerWaalsContact OE2-O 3.04Å
53	F	91.4	Very high	87.8	Confident	11 Å²	11	51.3 Å²	51.3	5%	0.048	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-48.4	177.1	174.6	-124.9	0	0	0	111.8	L10 I28 E30 A37 I48 S49 P50 F55 R56 K57	L10-F53 HydrophobicContact CD1-CE2 3.96Å; L10-F53 HydrophobicContact CD1-CZ 4.28Å; I28-F53 HydrophobicContact CD1-CD2 4.48Å; I28-F53 HydrophobicContact CG2-CD2 4.14Å; I28-F53 HydrophobicContact CG2-CE2 3.77Å; E30-F53 HydrophobicContact CB-CZ 4.2Å; E30-F53 HydrophobicContact CG-CE1 4.41Å; E30-F53 HydrophobicContact CG-CZ 4.15Å; A37-F53 HydrophobicContact CB-CD2 3.59Å; A37-F53 HydrophobicContact CB-CE2 3.86Å; A37-F53 HydrophobicContact CB-CG 3.96Å; A37-F53 HydrophobicContact CB-CZ 4.4Å; I48-F53 HydrophobicContact CD1-CB 3.95Å; I48-F53 HydrophobicContact CD1-CD2 4.19Å; I48-F53 HydrophobicContact CG1-CB 4.29Å; S49-F53 VanDerWaalsContact O-CB 3.3Å; S49-F53 WeakPolarHBondContact O-CB 3.4Å; S49-F53 PolarHBondContact O-N 3.24Å; P50-F53 PolarHBondContact O-N 3.04Å; F53-F55 PolarHBondContact O-N 2.57Å; F53-R56 PolarHBondContact O-N 3.11Å; F53-K57 HydrophobicContact CD2-CB 4.42Å; F53-K57 HydrophobicContact CE1-CD 4.06Å; F53-K57 HydrophobicContact CE2-CB 4.17Å; F53-K57 HydrophobicContact CE2-CD 4.25Å; F53-K57 HydrophobicContact CE2-CG 4.33Å; F53-K57 HydrophobicContact CZ-CD 3.79Å; F53-K57 HydrophobicContact CZ-CG 4.32Å; F53-K57 WeakPolarHBondContact O-CB 3.28Å; F53-K57 PolarHBondContact O-N 3.11Å
54	D	87.2	Confident	88.6	Confident	108 Å²	108	48.6 Å²	48.6	58%	0.578	25%	0.254	S	S	*	.	H	α-helix	trans	-59.7	-37.8	178.8	-73.7	-27.3	0	0	0	111.5	P50	P50-D54 PolarHBondContact O-N 3.22Å
55	F	83.9	Confident	89.1	Confident	62 Å²	62	50 Å²	50	27%	0.272	26%	0.26	S	S	.	.	H	α-helix	trans	-65.2	-51.7	173.6	176.5	-99.4	0	0	0	112.7	Y51 E52 F53 K57 C58 L956 N957	Y51-F55 PolarHBondContact O-N 2.81Å; E52-F55 PolarHBondContact O-N 2.94Å; F53-F55 PolarHBondContact O-N 2.57Å; F55-K57 PolarHBondContact O-N 3.28Å; F55-C58 PolarHBondContact O-SG 3.25Å; F55-L956 HydrophobicContact CB-CD2 3.69Å; F55-L956 HydrophobicContact CD1-CD1 4.39Å; F55-L956 HydrophobicContact CD1-CD2 3.61Å; F55-L956 HydrophobicContact CD1-CG 3.93Å; F55-L956 HydrophobicContact CD2-CD2 3.79Å; F55-L956 HydrophobicContact CD2-CG 4.44Å; F55-L956 HydrophobicContact CE1-CD2 4.19Å; F55-L956 HydrophobicContact CE1-CG 4.03Å; F55-L956 HydrophobicContact CE2-CD2 4.35Å; F55-L956 HydrophobicContact CG-CD2 3.39Å; F55-L956 HydrophobicContact CG-CG 4.14Å; F55-L956 HydrophobicContact CZ-CG 4.35Å; F55-N957 WeakPolarHBondContact CE2-OD1 3.48Å; F55-N957 WeakPolarHBondContact CZ-OD1 3.08Å
56	R	86.1	Confident	89.3	Confident	37 Å²	37	49 Å²	49	14%	0.14	26%	0.255	C	S	.	.	H	α-helix	trans	-70	-32.2	-177.2	-71.3	-173.2	-177.4	-125	3.7	112.2	I28 L39 E52 F53 C58 Q59 Y60 L979	I28-R56 HydrophobicContact CD1-CB 4.29Å; L39-R56 VanDerWaalsContact CD2-NH1 3.29Å; E52-R56 HydrophobicContact CG-CG 4.2Å; E52-R56 WeakPolarHBondContact O-CB 3.36Å; E52-R56 WeakPolarHBondContact O-CG 3.38Å; E52-R56 PolarHBondContact O-N 3.28Å; E52-R56 IonicContact OE1-CZ 3.43Å; E52-R56 IonicContact OE1-NE 3.3Å; E52-R56 PolarHBondContact OE1-NE 3.08Å; E52-R56 IonicContact OE1-NH2 2.73Å; E52-R56 PolarHBondContact OE1-NH2 3.48Å; F53-R56 PolarHBondContact O-N 3.11Å; R56-C58 PolarHBondContact O-N 3.24Å; R56-C58 VanDerWaalsContact O-N 3.1Å; R56-Q59 WeakPolarHBondContact O-CB 3.25Å; R56-Q59 PolarHBondContact O-N 2.99Å; R56-Y60 HydrophobicContact CB-CE2 4.21Å; R56-Y60 WeakPolarHBondContact O-CD2 3.36Å; R56-L979 PolarHBondContact NH2-O 3.03Å
57	K	86.9	Confident	89.4	Confident	80 Å²	80	50.1 Å²	50.1	35%	0.348	26%	0.259	S	S	.	.	H	α-helix	trans	-55.2	-32.4	-171.6	-179	176.1	-176.9	170.8	0	113.7	L10 E30 F53 F55 Q59 Y60	L10-K57 HydrophobicContact CD1-CG 4.27Å; E30-K57 IonicContact OE1-NZ 2.97Å; F53-K57 HydrophobicContact CD2-CB 4.42Å; F53-K57 HydrophobicContact CE1-CD 4.06Å; F53-K57 HydrophobicContact CE2-CB 4.17Å; F53-K57 HydrophobicContact CE2-CD 4.25Å; F53-K57 HydrophobicContact CE2-CG 4.33Å; F53-K57 HydrophobicContact CZ-CD 3.79Å; F53-K57 HydrophobicContact CZ-CG 4.32Å; F53-K57 WeakPolarHBondContact O-CB 3.28Å; F53-K57 PolarHBondContact O-N 3.11Å; F55-K57 PolarHBondContact O-N 3.28Å; K57-Q59 PolarHBondContact O-N 3.16Å; K57-Y60 PolarHBondContact O-N 3.42Å
58	C	84.7	Confident	89.5	Confident	107 Å²	107	46.2 Å²	46.2	72%	0.723	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.5	178	68.8	0	0	0	0	113.6	F55 R56	F55-C58 PolarHBondContact O-SG 3.25Å; R56-C58 PolarHBondContact O-N 3.24Å; R56-C58 VanDerWaalsContact O-N 3.1Å
59	Q	85.2	Confident	89.7	Confident	76 Å²	76	46.2 Å²	46.2	36%	0.355	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	0.1	179.2	-52.3	175.5	1.4	0	0	112.9	S13 R56 K57	S13-Q59 PolarHBondContact N-O 2.92Å; S13-Q59 PolarHBondContact OG-O 3.2Å; S13-Q59 VanDerWaalsContact OG-O 3.08Å; R56-Q59 WeakPolarHBondContact O-CB 3.25Å; R56-Q59 PolarHBondContact O-N 2.99Å; K57-Q59 PolarHBondContact O-N 3.16Å
60	Y	89	Confident	89.9	Confident	18 Å²	18	45.5 Å²	45.5	7%	0.071	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	144.9	-176.1	-68.5	-117.3	0	0	0	110.5	L10 L11 K12 N26 I28 R56 K57	L10-Y60 HydrophobicContact CB-CD1 4.19Å; L10-Y60 HydrophobicContact CB-CG 4.33Å; L11-Y60 VanDerWaalsContact C-CD1 3.41Å; L11-Y60 CarbonylContact O-C 3.55Å; L11-Y60 VanDerWaalsContact O-CA 3.31Å; L11-Y60 WeakPolarHBondContact O-CA 3.37Å; K12-Y60 HydrophobicContact CB-CD1 4.08Å; K12-Y60 HydrophobicContact CB-CE1 3.8Å; K12-Y60 HydrophobicContact CB-CE2 4.39Å; K12-Y60 HydrophobicContact CB-CG 4.47Å; K12-Y60 HydrophobicContact CG-CE2 4.33Å; N26-Y60 HydrophobicContact CB-CE1 3.85Å; N26-Y60 WeakPolarHBondContact CB-OH 3.44Å; N26-Y60 PolarHBondContact ND2-OH 3.26Å; N26-Y60 WeakPolarHBondContact O-CE1 3.25Å; I28-Y60 HydrophobicContact CB-CD1 4.31Å; I28-Y60 HydrophobicContact CB-CE1 4.39Å; I28-Y60 HydrophobicContact CD1-CD1 3.79Å; I28-Y60 HydrophobicContact CD1-CD2 3.83Å; I28-Y60 HydrophobicContact CD1-CE1 3.65Å; I28-Y60 HydrophobicContact CD1-CE2 3.7Å; I28-Y60 HydrophobicContact CD1-CG 3.9Å; I28-Y60 HydrophobicContact CG1-CD1 3.9Å; I28-Y60 HydrophobicContact CG1-CE1 3.59Å; R56-Y60 HydrophobicContact CB-CE2 4.21Å; R56-Y60 WeakPolarHBondContact O-CD2 3.36Å; K57-Y60 PolarHBondContact O-N 3.42Å
61	T	88.8	Confident	90.1	Very high	80 Å²	80	42.7 Å²	42.7	49%	0.491	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	144.4	176.4	57.8	0	0	0	0	109.8	L10 L11 A63	L10-T61 CarbonylContact C-O 3.58Å; L10-T61 VanDerWaalsContact CA-O 3.26Å; L10-T61 WeakPolarHBondContact CA-O 3.33Å; L11-T61 PolarHBondContact N-O 3.11Å; L11-T61 PolarHBondContact O-N 3.48Å; L11-T61 PolarHBondContact O-OG1 3.48Å; T61-A63 PolarHBondContact O-N 2.9Å
62	K	89.8	Confident	90.5	Very high	125 Å²	125	39.1 Å²	39.1	54%	0.543	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	124.5	178.2	-171.1	-170.5	81.6	164	0	110.3	R8 L10 D65	R8-K62 HydrophobicContact CG-CD 4.45Å; R8-K62 HydrophobicContact CG-CG 4.04Å; L10-K62 HydrophobicContact CD2-CB 4.11Å; L10-K62 HydrophobicContact CD2-CG 4.32Å; K62-D65 IonicContact NZ-OD2 2.7Å; K62-D65 PolarHBondContact NZ-OD2 2.82Å
63	A	88.1	Confident	90.6	Very high	37 Å²	37	39.3 Å²	39.3	31%	0.306	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-58.1	174.3	0	0	0	0	0	112.5	V9 L11 T61	V9-A63 PolarHBondContact O-N 3.28Å; L11-A63 HydrophobicContact CD1-CB 3.51Å; L11-A63 HydrophobicContact CG-CB 3.58Å; T61-A63 PolarHBondContact O-N 2.9Å
64	V	91.4	Very high	90.3	Very high	13 Å²	13	41 Å²	41	8%	0.079	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	133.4	-173.1	174.8	0	0	0	0	111.1	V9 L94 T96 I118 V125	V9-V64 PolarHBondContact N-O 3.35Å; V9-V64 PolarHBondContact O-N 3.35Å; V64-L94 HydrophobicContact CB-CD1 4.47Å; V64-L94 HydrophobicContact CG1-CD1 4.17Å; V64-T96 HydrophobicContact CG1-CG2 3.84Å; V64-I118 HydrophobicContact CG2-CD1 3.88Å; V64-V125 HydrophobicContact CG2-CG2 4.03Å
65	D	94.2	Very high	89.7	Confident	35 Å²	35	36.4 Å²	36.4	19%	0.187	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127	161.9	-61.6	-60	0	0	0	108.5	K5 R8 K62	K5-D65 HydrophobicContact CB-CB 4.24Å; K5-D65 HydrophobicContact CD-CB 3.52Å; K5-D65 WeakPolarHBondContact CD-O 3.37Å; K5-D65 WeakPolarHBondContact CE-O 3.44Å; K5-D65 PolarHBondContact NZ-O 3.47Å; R8-D65 WeakPolarHBondContact CG-OD1 3.24Å; R8-D65 IonicContact CZ-OD1 3.1Å; R8-D65 IonicContact NE-OD1 3.63Å; R8-D65 PolarHBondContact NE-OD1 3.33Å; K62-D65 IonicContact NZ-OD2 2.7Å; K62-D65 PolarHBondContact NZ-OD2 2.82Å
66	A	95	Very high	88.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	152.9	-177.3	0	0	0	0	0	112	K5 N6 C7 L94 T96	K5-A66 CarbonylContact C-O 3.51Å; K5-A66 VanDerWaalsContact CA-O 3.3Å; K5-A66 WeakPolarHBondContact CA-O 3.45Å; K5-A66 WeakPolarHBondContact CB-O 3.37Å; N6-A66 PolarHBondContact N-O 3.32Å; C7-A66 HydrophobicContact CB-CB 4.2Å; C7-A66 PolarHBondContact N-O 2.86Å; C7-A66 VanDerWaalsContact N-O 3.15Å; C7-A66 PolarHBondContact O-N 3Å; A66-L94 HydrophobicContact CB-CB 3.89Å; A66-L94 HydrophobicContact CB-CD1 4.44Å; A66-L94 HydrophobicContact CB-CD2 4.2Å; A66-L94 HydrophobicContact CB-CG 4.41Å; A66-T96 HydrophobicContact CB-CG2 4.2Å
67	Y	94.9	Very high	87.7	Confident	27 Å²	27	37.7 Å²	37.7	11%	0.106	21%	0.205	C	C	.	.	S	Bend	trans	-67.6	-47.6	173.9	-70.3	-89.4	0	0	0	110.1	L4 K5 A95 T96 C98 R146	L4-Y67 HydrophobicContact CB-CD1 4.02Å; L4-Y67 HydrophobicContact CB-CE1 3.67Å; L4-Y67 HydrophobicContact CD1-CE1 4.45Å; K5-Y67 HydrophobicContact CG-CD1 4.27Å; K5-Y67 HydrophobicContact CG-CD2 4.32Å; K5-Y67 HydrophobicContact CG-CE1 4.2Å; K5-Y67 HydrophobicContact CG-CE2 4.21Å; K5-Y67 HydrophobicContact CG-CG 4.35Å; Y67-A95 WeakPolarHBondContact CA-O 3.21Å; Y67-A95 WeakPolarHBondContact CB-O 3.42Å; Y67-A95 PolarHBondContact N-O 3.39Å; Y67-T96 WeakPolarHBondContact CD2-O 3.48Å; Y67-T96 WeakPolarHBondContact CE2-O 3.47Å; Y67-C98 WeakPolarHBondContact CD1-SG 3.48Å; Y67-R146 PolarHBondContact O-NH1 3.34Å; Y67-R146 PolarHBondContact O-NH2 3Å
68	A	95	Very high	86.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155.9	178.9	0	0	0	0	0	112	A95 F144 V208	A68-A95 HydrophobicContact CB-CB 4.39Å; A68-A95 PolarHBondContact N-O 2.88Å; A68-A95 PolarHBondContact O-N 3.49Å; A68-F144 HydrophobicContact CB-CE1 4.42Å; A68-F144 HydrophobicContact CB-CE2 4.16Å; A68-F144 HydrophobicContact CB-CZ 4.08Å; A68-V208 HydrophobicContact CB-CB 4.44Å; A68-V208 HydrophobicContact CB-CG1 3.84Å; A68-V208 HydrophobicContact CB-CG2 3.68Å
69	C	95.8	Very high	84.6	Confident	1 Å²	1	34 Å²	34	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	131.1	166.4	-171.1	0	0	0	0	109.8	L29 L92 L94 L207 V208	L29-C69 HydrophobicContact CD2-CB 4.04Å; C69-L92 VanDerWaalsContact SG-CD1 3.56Å; C69-L94 HydrophobicContact CB-CD2 4.14Å; C69-L207 HydrophobicContact CB-CD2 3.79Å; C69-L207 WeakPolarHBondContact O-CA 3.39Å; C69-L207 WeakPolarHBondContact SG-CD2 3.49Å; C69-V208 PolarHBondContact O-N 3.23Å
70	L	96	Very high	82.7	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-19.5	179.2	-54.7	-171.7	0	0	0	112.5	V93 A95 I112 V115 L137 N189 L192 V208 I210	L70-V93 HydrophobicContact CB-CB 4.22Å; L70-V93 HydrophobicContact CB-CG1 4.1Å; L70-V93 HydrophobicContact CD1-CG1 4.09Å; L70-V93 HydrophobicContact CG-CG1 4.46Å; L70-V93 PolarHBondContact N-O 3.45Å; L70-A95 HydrophobicContact CD2-CB 4.23Å; L70-A95 HydrophobicContact CG-CB 4.43Å; L70-I112 HydrophobicContact CD1-CD1 4.13Å; L70-I112 HydrophobicContact CD2-CD1 3.99Å; L70-V115 HydrophobicContact CD1-CG2 4.07Å; L70-L137 HydrophobicContact CD1-CD1 4.47Å; L70-N189 PolarHBondContact O-ND2 2.68Å; L70-L192 HydrophobicContact CB-CD1 4.26Å; L70-V208 HydrophobicContact CD2-CG2 3.75Å; L70-I210 HydrophobicContact CD2-CG2 3.8Å
71	G	94.8	Very high	80.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	133.5	-161.7	176.8	0	0	0	0	0	112.7	V93 L192	G71-V93 PolarHBondContact O-N 2.96Å; G71-L192 WeakPolarHBondContact CA-O 3.43Å
72	V	93.2	Very high	78.2	Confident	5 Å²	5	40.4 Å²	40.4	3%	0.03	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.5	-175.7	179.7	0	0	0	0	109.4	F40 Y91 L92 L192 P195 L196	F40-V72 HydrophobicContact CE1-CG2 3.74Å; F40-V72 HydrophobicContact CZ-CG2 4.27Å; V72-Y91 CarbonylContact C-O 3.5Å; V72-Y91 WeakPolarHBondContact CA-O 3.39Å; V72-L92 HydrophobicContact CG2-CD1 4.11Å; V72-L192 PolarHBondContact N-O 2.82Å; V72-L192 WeakPolarHBondContact O-CA 3.34Å; V72-P195 HydrophobicContact CB-CB 3.95Å; V72-P195 HydrophobicContact CB-CG 3.79Å; V72-P195 HydrophobicContact CG1-CB 4.08Å; V72-P195 HydrophobicContact CG1-CG 3.91Å; V72-P195 HydrophobicContact CG2-CB 4.44Å; V72-L196 HydrophobicContact CG2-CD1 3.86Å
73	L	90.9	Very high	75.7	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	125.5	173.6	178.1	68.9	0	0	0	109.6	P75 S90 Y91 V93 F117 Y130 L133 L192 M510	L73-P75 HydrophobicContact CG-CG 4.5Å; L73-S90 CarbonylContact O-C 3.56Å; L73-S90 WeakPolarHBondContact O-CA 3.41Å; L73-Y91 PolarHBondContact N-O 2.89Å; L73-Y91 PolarHBondContact O-N 2.81Å; L73-V93 HydrophobicContact CB-CG2 3.81Å; L73-F117 HydrophobicContact CD2-CD1 4.27Å; L73-F117 HydrophobicContact CD2-CE1 3.91Å; L73-Y130 HydrophobicContact CD2-CD2 3.72Å; L73-Y130 HydrophobicContact CD2-CE2 3.97Å; L73-L133 HydrophobicContact CD1-CD2 4.37Å; L73-L133 HydrophobicContact CD2-CD2 3.82Å; L73-L192 HydrophobicContact CB-CD2 3.95Å; L73-L192 HydrophobicContact CD1-CD2 3.92Å; L73-M510 HydrophobicContact CD1-CG 4.1Å
74	V	85.1	Confident	73.4	Confident	45 Å²	45	41.5 Å²	41.5	27%	0.273	25%	0.253	S	S	.	.			trans	-113.4	104.1	166.5	-175.5	0	0	0	0	106.8	P88 P195	V74-P88 HydrophobicContact CG1-CB 4.15Å; V74-P88 HydrophobicContact CG1-CG 4.39Å; V74-P195 HydrophobicContact CG2-CG 3.99Å
75	P	74.9	Confident	71	Confident	12 Å²	12	48.1 Å²	48.1	8%	0.078	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-63.9	150.8	-177	-17	30.4	0	0	0	112.5	L73 Q89 Y91 Y130	L73-P75 HydrophobicContact CG-CG 4.5Å; P75-Q89 WeakPolarHBondContact CD-O 3.47Å; P75-Y91 HydrophobicContact CG-CD2 3.97Å; P75-Y91 HydrophobicContact CG-CE2 3.73Å; P75-Y130 HydrophobicContact CB-CE1 4.46Å; P75-Y130 HydrophobicContact CB-CE2 4.18Å; P75-Y130 WeakPolarHBondContact CB-OH 3.45Å; P75-Y130 HydrophobicContact CG-CE2 3.61Å; P75-Y130 WeakPolarHBondContact CG-OH 3.05Å
76	M	65.4	Low	68.5	Low	72 Å²	72	54.1 Å²	54.1	36%	0.355	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-71.4	128.5	173.9	-72.9	-68.7	-57.3	0	0	110.7	K522	M76-K522 HydrophobicContact CE-CD 3.25Å; M76-K522 HydrophobicContact CE-CG 4.49Å; M76-K522 HydrophobicContact SD-CD 3.61Å; M76-K522 PolarHBondContact SD-NZ 2.99Å
77	T	62.2	Low	66.4	Low	55 Å²	55	57.3 Å²	57.3	34%	0.337	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-77.9	144.6	164.3	53.9	0	0	0	0	110.1
78	S	55.2	Low	64.8	Low	62 Å²	62	59.1 Å²	59.1	43%	0.434	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-58	139.8	175.7	179.5	0	0	0	0	109.7	T80 S81	S78-T80 PolarHBondContact O-N 3.02Å; S78-T80 PolarHBondContact OG-N 2.88Å; S78-T80 PolarHBondContact OG-OG1 3.3Å; S78-S81 PolarHBondContact O-N 2.93Å; S78-S81 PolarHBondContact O-OG 2.98Å; S78-S81 VanDerWaalsContact O-OG 3.12Å
79	P	51.8	Low	63.7	Low	48 Å²	48	63.4 Å²	63.4	31%	0.312	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-18.2	173.3	-20.7	30.3	0	0	0	113.8	L523	P79-L523 HydrophobicContact CG-CD1 4.26Å
80	T	46.2	Very low	63.2	Low	97 Å²	97	64.5 Å²	64.5	60%	0.595	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-9.9	-173.4	62.7	0	0	0	0	114.6	S78 D82	S78-T80 PolarHBondContact O-N 3.02Å; S78-T80 PolarHBondContact OG-N 2.88Å; S78-T80 PolarHBondContact OG-OG1 3.3Å; T80-D82 PolarHBondContact O-N 3.41Å
81	S	42.7	Very low	62.9	Low	49 Å²	49	64.7 Å²	64.7	34%	0.343	39%	0.385	S	S	.	.			trans	-85.7	109.9	-178.3	56.9	0	0	0	0	109.7	S78 S83	S78-S81 PolarHBondContact O-N 2.93Å; S78-S81 PolarHBondContact O-OG 2.98Å; S78-S81 VanDerWaalsContact O-OG 3.12Å; S81-S83 WeakPolarHBondContact CB-OG 3.21Å; S81-S83 PolarHBondContact O-N 3.19Å; S81-S83 PolarHBondContact OG-OG 2.9Å
82	D	40.2	Very low	62.8	Low	161 Å²	161	64.8 Å²	64.8	86%	0.861	39%	0.386	S	S	*	.			trans	-62.7	11.1	164.1	-81.8	-23.3	0	0	0	112.8	T80 S84	T80-D82 PolarHBondContact O-N 3.41Å; D82-S84 PolarHBondContact O-N 3.23Å
83	S	37.2	Very low	62.9	Low	71 Å²	71	64.6 Å²	64.6	50%	0.497	39%	0.385	S	S	.	.			trans	-74.2	69.4	176.5	63.6	0	0	0	0	110.6	S81 I85	S81-S83 WeakPolarHBondContact CB-OG 3.21Å; S81-S83 PolarHBondContact O-N 3.19Å; S81-S83 PolarHBondContact OG-OG 2.9Å; S83-I85 PolarHBondContact O-N 3.49Å
84	S	39.8	Very low	63.1	Low	115 Å²	115	64.4 Å²	64.4	80%	0.804	38%	0.384	S	S	*	.			trans	-69.1	-6.2	163.4	54.3	0	0	0	0	112.6	D82	D82-S84 PolarHBondContact O-N 3.23Å
85	I	41	Very low	63.7	Low	152 Å²	152	62.2 Å²	62.2	78%	0.779	37%	0.371	S	S	*	.	S	Bend	trans	-88.7	-21.8	-165.9	-55.8	177.6	0	0	0	113.5	S83	S83-I85 PolarHBondContact O-N 3.49Å
86	M	41.1	Very low	64.6	Low	160 Å²	160	62.5 Å²	62.5	79%	0.788	37%	0.372	S	S	*	.	S	Bend	trans	-109.2	116.6	177.2	-61.7	-144.2	84.8	0	0	111
87	A	52	Low	66	Low	67 Å²	67	59.7 Å²	59.7	55%	0.554	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-53.7	134.8	170.4	0	0	0	0	0	109.4	Q89 K121	A87-Q89 PolarHBondContact O-N 2.98Å; A87-K121 VanDerWaalsContact C-NZ 3.25Å; A87-K121 PolarHBondContact O-NZ 3.35Å
88	P	60.7	Low	67.6	Low	66 Å²	66	57.9 Å²	57.9	43%	0.429	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-55	136	-172.1	20.7	-31.6	0	0	0	110.8	V74 K121	V74-P88 HydrophobicContact CG1-CB 4.15Å; V74-P88 HydrophobicContact CG1-CG 4.39Å; P88-K121 WeakPolarHBondContact O-CE 3.28Å; P88-K121 PolarHBondContact O-NZ 3.45Å
89	Q	72.7	Confident	69.5	Low	89 Å²	89	58 Å²	58	42%	0.416	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-64.8	142.3	169.2	-71.1	175.9	-26.6	0	0	108.2	P75 A87 Y91	P75-Q89 WeakPolarHBondContact CD-O 3.47Å; A87-Q89 PolarHBondContact O-N 2.98Å; Q89-Y91 HydrophobicContact CB-CE2 3.95Å; Q89-Y91 PolarHBondContact OE1-OH 3.28Å
90	S	85	Confident	71.6	Confident	25 Å²	25	58.8 Å²	58.8	18%	0.175	36%	0.355	C	S	.	.			trans	-125.1	152.9	174.5	58.2	0	0	0	0	109.3	L73 M120	L73-S90 CarbonylContact O-C 3.56Å; L73-S90 WeakPolarHBondContact O-CA 3.41Å; S90-M120 WeakPolarHBondContact O-CB 3.42Å; S90-M120 WeakPolarHBondContact O-CG 3.38Å; S90-M120 PolarHBondContact O-N 3.31Å; S90-M120 WeakPolarHBondContact OG-CB 3.45Å; S90-M120 WeakPolarHBondContact OG-CG 3.06Å
91	Y	89.4	Confident	73.8	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.016	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	130	-175.2	-57.8	-85.2	0	0	0	111.4	V72 L73 P75 Q89 F117 I118 N119 I129 Y130	V72-Y91 CarbonylContact C-O 3.5Å; V72-Y91 WeakPolarHBondContact CA-O 3.39Å; L73-Y91 PolarHBondContact N-O 2.89Å; L73-Y91 PolarHBondContact O-N 2.81Å; P75-Y91 HydrophobicContact CG-CD2 3.97Å; P75-Y91 HydrophobicContact CG-CE2 3.73Å; Q89-Y91 HydrophobicContact CB-CE2 3.95Å; Q89-Y91 PolarHBondContact OE1-OH 3.28Å; Y91-F117 HydrophobicContact CD1-CB 4.46Å; Y91-I118 CarbonylContact C-O 3.59Å; Y91-I118 VanDerWaalsContact CA-O 3.23Å; Y91-I118 WeakPolarHBondContact CA-O 3.5Å; Y91-N119 HydrophobicContact CD1-CB 4.02Å; Y91-N119 HydrophobicContact CE1-CB 3.69Å; Y91-I129 HydrophobicContact CD1-CD1 3.81Å; Y91-I129 HydrophobicContact CE1-CD1 3.05Å; Y91-I129 HydrophobicContact CE1-CG1 4.47Å; Y91-I129 HydrophobicContact CE1-CG2 4.26Å; Y91-I129 HydrophobicContact CE2-CG2 4.43Å; Y91-Y130 HydrophobicContact CD2-CE2 4.08Å; Y91-Y130 AromaticContact CE2-CE2 3.77Å; Y91-Y130 HydrophobicContact CE2-CE2 3.77Å
92	L	92.8	Very high	76.2	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	126.2	167.9	-166.6	66.9	0	0	0	109.1	V9 L29 F40 C69 V72 L94 F117 I118 M120	V9-L92 HydrophobicContact CG2-CD2 3.8Å; L29-L92 HydrophobicContact CB-CD2 4.48Å; L29-L92 HydrophobicContact CD1-CD2 4.41Å; F40-L92 HydrophobicContact CE2-CD1 4.45Å; F40-L92 HydrophobicContact CZ-CD1 3.96Å; C69-L92 VanDerWaalsContact SG-CD1 3.56Å; V72-L92 HydrophobicContact CG2-CD1 4.11Å; L92-L94 HydrophobicContact CD2-CD1 4.39Å; L92-L94 HydrophobicContact CD2-CD2 3.86Å; L92-L94 HydrophobicContact CD2-CG 4.31Å; L92-L94 HydrophobicContact CG-CD2 3.93Å; L92-L94 HydrophobicContact CG-CG 4.22Å; L92-F117 WeakPolarHBondContact O-CA 3.22Å; L92-I118 HydrophobicContact CB-CB 4.23Å; L92-I118 PolarHBondContact N-O 3.49Å; L92-I118 PolarHBondContact O-N 2.91Å; L92-M120 HydrophobicContact CB-SD 3.86Å
93	V	94.8	Very high	78.7	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.4	-176.7	-170.6	0	0	0	0	109.5	L70 G71 L73 V115 F117 L137 L192	L70-V93 HydrophobicContact CB-CB 4.22Å; L70-V93 HydrophobicContact CB-CG1 4.1Å; L70-V93 HydrophobicContact CD1-CG1 4.09Å; L70-V93 HydrophobicContact CG-CG1 4.46Å; L70-V93 PolarHBondContact N-O 3.45Å; G71-V93 PolarHBondContact O-N 2.96Å; L73-V93 HydrophobicContact CB-CG2 3.81Å; V93-V115 HydrophobicContact CG1-CG1 3.59Å; V93-F117 HydrophobicContact CB-CE1 4.48Å; V93-F117 HydrophobicContact CG1-CE1 4.04Å; V93-F117 HydrophobicContact CG1-CZ 4.25Å; V93-F117 HydrophobicContact CG2-CD1 3.93Å; V93-F117 HydrophobicContact CG2-CE1 3.74Å; V93-L137 HydrophobicContact CG1-CD1 3.94Å; V93-L192 HydrophobicContact CB-CD1 4.25Å; V93-L192 HydrophobicContact CG1-CD1 4.4Å; V93-L192 HydrophobicContact CG2-CD1 4.16Å
94	L	95.7	Very high	81.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.6	-169.7	-60.7	170.3	0	0	0	111.8	V9 V64 A66 C69 L92 T96 V115 Q116 I118	V9-L94 HydrophobicContact CG2-CD1 3.59Å; V9-L94 HydrophobicContact CG2-CD2 4.16Å; V64-L94 HydrophobicContact CB-CD1 4.47Å; V64-L94 HydrophobicContact CG1-CD1 4.17Å; A66-L94 HydrophobicContact CB-CB 3.89Å; A66-L94 HydrophobicContact CB-CD1 4.44Å; A66-L94 HydrophobicContact CB-CD2 4.2Å; A66-L94 HydrophobicContact CB-CG 4.41Å; C69-L94 HydrophobicContact CB-CD2 4.14Å; L92-L94 HydrophobicContact CD2-CD1 4.39Å; L92-L94 HydrophobicContact CD2-CD2 3.86Å; L92-L94 HydrophobicContact CD2-CG 4.31Å; L92-L94 HydrophobicContact CG-CD2 3.93Å; L92-L94 HydrophobicContact CG-CG 4.22Å; L94-T96 HydrophobicContact CB-CG2 4.17Å; L94-T96 PolarHBondContact O-N 2.82Å; L94-V115 CarbonylContact O-C 3.53Å; L94-V115 WeakPolarHBondContact O-CA 3.33Å; L94-V115 WeakPolarHBondContact O-CG1 3.3Å; L94-Q116 PolarHBondContact N-O 3.14Å; L94-Q116 PolarHBondContact O-N 3.15Å; L94-I118 HydrophobicContact CD1-CD1 4.49Å; L94-I118 HydrophobicContact CD1-CG1 3.69Å
95	A	96.3	Very high	83.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	99.3	168	0	0	0	0	0	109.6	Y67 A68 L70 I112	Y67-A95 WeakPolarHBondContact CA-O 3.21Å; Y67-A95 WeakPolarHBondContact CB-O 3.42Å; Y67-A95 PolarHBondContact N-O 3.39Å; A68-A95 HydrophobicContact CB-CB 4.39Å; A68-A95 PolarHBondContact N-O 2.88Å; A68-A95 PolarHBondContact O-N 3.49Å; L70-A95 HydrophobicContact CD2-CB 4.23Å; L70-A95 HydrophobicContact CG-CB 4.43Å; A95-I112 HydrophobicContact CB-CG1 4.5Å; A95-I112 HydrophobicContact CB-CG2 4.32Å
96	T	95	Very high	86	Confident	18 Å²	18	42.8 Å²	42.8	11%	0.11	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-14	-177.4	56.8	0	0	0	0	113.4	V64 A66 Y67 L94 N114 Q116	V64-T96 HydrophobicContact CG1-CG2 3.84Å; A66-T96 HydrophobicContact CB-CG2 4.2Å; Y67-T96 WeakPolarHBondContact CD2-O 3.48Å; Y67-T96 WeakPolarHBondContact CE2-O 3.47Å; L94-T96 HydrophobicContact CB-CG2 4.17Å; L94-T96 PolarHBondContact O-N 2.82Å; T96-N114 PolarHBondContact N-O 3.41Å; T96-N114 PolarHBondContact OG1-ND2 3.11Å; T96-Q116 HydrophobicContact CG2-CB 3.89Å; T96-Q116 HydrophobicContact CG2-CG 3.95Å
97	G	95.1	Very high	88.5	Confident	12 Å²	12	35.7 Å²	35.7	12%	0.124	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	133.3	169.8	0	0	0	0	0	111	T113 N114	G97-T113 PolarHBondContact O-N 3.25Å; G97-T113 PolarHBondContact O-OG1 3.07Å; G97-N114 PolarHBondContact N-O 2.72Å; G97-N114 VanDerWaalsContact N-O 3.13Å; G97-N114 PolarHBondContact O-N 2.83Å; G97-N114 VanDerWaalsContact O-N 3.11Å
98	C	95.5	Very high	90.5	Very high	17 Å²	17	34.7 Å²	34.7	12%	0.115	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	162.7	169	66.7	0	0	0	0	111.2	Y67 F110 R111 T113 F144	Y67-C98 WeakPolarHBondContact CD1-SG 3.48Å; C98-F110 HydrophobicContact CB-CB 4.21Å; C98-R111 CarbonylContact C-O 3.54Å; C98-R111 WeakPolarHBondContact CA-O 3.36Å; C98-R111 VanDerWaalsContact CB-O 3.24Å; C98-R111 WeakPolarHBondContact CB-O 3.17Å; C98-T113 PolarHBondContact N-OG1 3.01Å; C98-F144 HydrophobicContact CB-CE1 4.13Å; C98-F144 HydrophobicContact CB-CZ 4.39Å
99	T	94.8	Very high	92.3	Very high	66 Å²	66	31.6 Å²	31.6	41%	0.405	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.5	174.4	49.2	0	0	0	0	109.2	V101 F110 R111 T113	T99-V101 PolarHBondContact O-N 3.35Å; T99-F110 CarbonylContact O-C 3.51Å; T99-F110 WeakPolarHBondContact O-CA 3.09Å; T99-R111 PolarHBondContact N-O 2.96Å; T99-R111 PolarHBondContact O-N 3.07Å; T99-T113 HydrophobicContact CG2-CG2 4.04Å
100	S	94.8	Very high	93.5	Very high	63 Å²	63	28 Å²	28	44%	0.441	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	130.4	172	-179.6	0	0	0	0	109	E108	S100-E108 VanDerWaalsContact CB-OE1 3.25Å; S100-E108 WeakPolarHBondContact CB-OE1 3.42Å; S100-E108 PolarHBondContact OG-OE1 3.46Å
101	V	94.2	Very high	94	Very high	25 Å²	25	29.1 Å²	29.1	15%	0.152	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-12.4	-179.1	-65.9	0	0	0	0	113	T99 V109 R111 Y143 F215	T99-V101 PolarHBondContact O-N 3.35Å; V101-V109 HydrophobicContact CG2-CB 3.88Å; V101-V109 HydrophobicContact CG2-CG1 3.59Å; V101-V109 WeakPolarHBondContact CG2-O 3.24Å; V101-V109 PolarHBondContact N-O 3.08Å; V101-R111 HydrophobicContact CG1-CB 3.62Å; V101-Y143 HydrophobicContact CG1-CE1 4.33Å; V101-Y143 HydrophobicContact CG2-CD1 4.09Å; V101-Y143 HydrophobicContact CG2-CE1 4.2Å; V101-F215 HydrophobicContact CG2-CD1 3.68Å; V101-F215 HydrophobicContact CG2-CE1 4.36Å; V101-F215 HydrophobicContact CG2-CG 4.45Å
102	G	92.5	Very high	94.3	Very high	11 Å²	11	29 Å²	29	11%	0.113	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.9	137.5	177.2	0	0	0	0	0	112.5	V109	G102-V109 PolarHBondContact O-N 2.67Å
103	K	92.8	Very high	94.4	Very high	121 Å²	121	31.8 Å²	31.8	53%	0.526	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	115.7	172	-171.2	170.6	-175.8	170.6	0	109.3	E108 N148	K103-E108 HydrophobicContact CB-CG 4.32Å; K103-E108 HydrophobicContact CG-CB 4.39Å; K103-N148 WeakPolarHBondContact CE-OD1 3.41Å
104	L	93.4	Very high	94.4	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.026	19%	0.193	C	C	.	.			trans	-99.8	168.7	173.9	-65.7	178.2	0	0	0	109.5	L106 F107 N148 F215 V217 R228 F264 Y266	L104-L106 VanDerWaalsContact C-N 3.33Å; L104-L106 PolarHBondContact O-N 3Å; L104-F107 CarbonylContact C-O 3.5Å; L104-F107 WeakPolarHBondContact CA-O 3.29Å; L104-F107 HydrophobicContact CB-CE1 4.36Å; L104-F107 HydrophobicContact CB-CE2 4.45Å; L104-F107 HydrophobicContact CB-CZ 4.32Å; L104-F107 HydrophobicContact CD1-CD2 4.45Å; L104-F107 HydrophobicContact CD1-CE1 4.08Å; L104-F107 HydrophobicContact CD1-CE2 3.57Å; L104-F107 HydrophobicContact CD1-CZ 3.35Å; L104-F107 HydrophobicContact CG-CE2 4.44Å; L104-F107 HydrophobicContact CG-CZ 4.41Å; L104-F107 PolarHBondContact N-O 2.92Å; L104-F107 PolarHBondContact O-N 3.49Å; L104-F107 VanDerWaalsContact O-O 3.09Å; L104-N148 PolarHBondContact O-ND2 2.99Å; L104-F215 HydrophobicContact CD1-CZ 3.88Å; L104-V217 HydrophobicContact CD2-CG1 4.19Å; L104-V217 HydrophobicContact CD2-CG2 4.1Å; L104-R228 HydrophobicContact CD2-CB 3.84Å; L104-R228 HydrophobicContact CD2-CG 4.46Å; L104-F264 HydrophobicContact CD1-CE2 3.8Å; L104-F264 HydrophobicContact CD1-CZ 3.8Å; L104-F264 HydrophobicContact CD2-CE2 3.78Å; L104-F264 HydrophobicContact CD2-CZ 4.36Å; L104-F264 HydrophobicContact CG-CE2 4.47Å; L104-Y266 HydrophobicContact CD1-CE2 4.07Å; L104-Y266 HydrophobicContact CD2-CD2 4Å; L104-Y266 HydrophobicContact CD2-CE2 4.31Å
105	P	89	Confident	94.3	Very high	69 Å²	69	34.5 Å²	34.5	45%	0.448	19%	0.193	S	C	.	.	S	Bend	trans	-53.6	-47.7	-175.4	-29.3	36.8	0	0	0	113.4	N148 Y266	P105-N148 PolarHBondContact O-ND2 3.4Å; P105-Y266 HydrophobicContact CG-CD1 3.95Å; P105-Y266 HydrophobicContact CG-CG 4.12Å
106	L	87.7	Confident	94.1	Very high	79 Å²	79	36.9 Å²	36.9	41%	0.414	21%	0.205	S	C	.	.	S	Bend	trans	-88.9	-26.9	-174.9	-61.6	176.3	0	0	0	113.8	L104 S147 N148	L104-L106 VanDerWaalsContact C-N 3.33Å; L104-L106 PolarHBondContact O-N 3Å; L106-S147 WeakPolarHBondContact O-CA 3.29Å; L106-N148 PolarHBondContact O-N 2.76Å
107	F	93.6	Very high	93.9	Very high	11 Å²	11	36.2 Å²	36.2	5%	0.048	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	158.9	-170.6	61	-87.1	0	0	0	113.8	L104 V109 A145 R146 N148 F154 L156	L104-F107 CarbonylContact C-O 3.5Å; L104-F107 WeakPolarHBondContact CA-O 3.29Å; L104-F107 HydrophobicContact CB-CE1 4.36Å; L104-F107 HydrophobicContact CB-CE2 4.45Å; L104-F107 HydrophobicContact CB-CZ 4.32Å; L104-F107 HydrophobicContact CD1-CD2 4.45Å; L104-F107 HydrophobicContact CD1-CE1 4.08Å; L104-F107 HydrophobicContact CD1-CE2 3.57Å; L104-F107 HydrophobicContact CD1-CZ 3.35Å; L104-F107 HydrophobicContact CG-CE2 4.44Å; L104-F107 HydrophobicContact CG-CZ 4.41Å; L104-F107 PolarHBondContact N-O 2.92Å; L104-F107 PolarHBondContact O-N 3.49Å; L104-F107 VanDerWaalsContact O-O 3.09Å; F107-V109 HydrophobicContact CD2-CG2 3.63Å; F107-V109 HydrophobicContact CE2-CG2 3.52Å; F107-A145 HydrophobicContact CD2-CB 3.77Å; F107-A145 HydrophobicContact CE2-CB 4.43Å; F107-A145 HydrophobicContact CG-CB 4.48Å; F107-R146 CarbonylContact C-O 3.59Å; F107-R146 WeakPolarHBondContact CA-O 3.43Å; F107-R146 WeakPolarHBondContact CB-O 3.5Å; F107-N148 PolarHBondContact N-ND2 2.95Å; F107-F154 HydrophobicContact CB-CB 4.07Å; F107-F154 HydrophobicContact CB-CD1 3.95Å; F107-F154 HydrophobicContact CB-CD2 3.9Å; F107-F154 HydrophobicContact CB-CE1 4.32Å; F107-F154 HydrophobicContact CB-CE2 4.29Å; F107-F154 HydrophobicContact CB-CG 3.7Å; F107-F154 HydrophobicContact CB-CZ 4.47Å; F107-F154 AromaticContact CD1-CD1 3.73Å; F107-F154 HydrophobicContact CD1-CD1 3.73Å; F107-F154 HydrophobicContact CD1-CD2 4.03Å; F107-F154 AromaticContact CD1-CE1 3.22Å; F107-F154 HydrophobicContact CD1-CE1 3.22Å; F107-F154 AromaticContact CD1-CE2 3.57Å; F107-F154 HydrophobicContact CD1-CE2 3.57Å; F107-F154 HydrophobicContact CD1-CG 4.09Å; F107-F154 AromaticContact CD1-CZ 3.11Å; F107-F154 HydrophobicContact CD1-CZ 3.11Å; F107-F154 AromaticContact CD2-CD1 3.8Å; F107-F154 HydrophobicContact CD2-CD1 3.8Å; F107-F154 AromaticContact CD2-CE1 3.89Å; F107-F154 HydrophobicContact CD2-CE1 3.89Å; F107-F154 HydrophobicContact CD2-CG 4.42Å; F107-F154 HydrophobicContact CE1-CD1 4.14Å; F107-F154 AromaticContact CE1-CE1 3.27Å; F107-F154 HydrophobicContact CE1-CE1 3.27Å; F107-F154 HydrophobicContact CE1-CE2 4.19Å; F107-F154 AromaticContact CE1-CZ 3.28Å; F107-F154 HydrophobicContact CE1-CZ 3.28Å; F107-F154 HydrophobicContact CE2-CD1 4.15Å; F107-F154 AromaticContact CE2-CE1 3.88Å; F107-F154 HydrophobicContact CE2-CE1 3.88Å; F107-F154 AromaticContact CG-CD1 3.55Å; F107-F154 HydrophobicContact CG-CD1 3.55Å; F107-F154 HydrophobicContact CG-CD2 4.14Å; F107-F154 AromaticContact CG-CE1 3.55Å; F107-F154 HydrophobicContact CG-CE1 3.55Å; F107-F154 HydrophobicContact CG-CE2 4.15Å; F107-F154 AromaticContact CG-CG 3.84Å; F107-F154 HydrophobicContact CG-CG 3.84Å; F107-F154 AromaticContact CG-CZ 3.85Å; F107-F154 HydrophobicContact CG-CZ 3.85Å; F107-F154 HydrophobicContact CZ-CD1 4.32Å; F107-F154 AromaticContact CZ-CE1 3.59Å; F107-F154 HydrophobicContact CZ-CE1 3.59Å; F107-F154 HydrophobicContact CZ-CZ 4.08Å; F107-L156 HydrophobicContact CD2-CD2 4.33Å; F107-L156 HydrophobicContact CE2-CD2 3.75Å; F107-L156 HydrophobicContact CZ-CD2 4.43Å
108	E	95.6	Very high	93.6	Very high	46 Å²	46	35.7 Å²	35.7	22%	0.215	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.2	171.7	-172.6	173.1	-176.5	0	0	110.4	S100 K103 F110 A145 R146 N148	S100-E108 VanDerWaalsContact CB-OE1 3.25Å; S100-E108 WeakPolarHBondContact CB-OE1 3.42Å; S100-E108 PolarHBondContact OG-OE1 3.46Å; K103-E108 HydrophobicContact CB-CG 4.32Å; K103-E108 HydrophobicContact CG-CB 4.39Å; E108-F110 HydrophobicContact CB-CE2 3.95Å; E108-F110 HydrophobicContact CB-CZ 4.11Å; E108-F110 VanDerWaalsContact CD-CZ 3.49Å; E108-F110 HydrophobicContact CG-CE1 4.3Å; E108-F110 HydrophobicContact CG-CE2 3.86Å; E108-F110 HydrophobicContact CG-CZ 3.66Å; E108-A145 CarbonylContact O-C 3.52Å; E108-A145 WeakPolarHBondContact O-CA 3.45Å; E108-A145 WeakPolarHBondContact O-CB 3.24Å; E108-R146 PolarHBondContact N-O 3.08Å; E108-R146 PolarHBondContact O-N 3.46Å; E108-N148 PolarHBondContact N-OD1 3.06Å
109	V	97.4	Very high	93	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.2	-176.4	-176.4	0	0	0	0	111.1	V101 G102 F107 Y143 A145 L156 F215	V101-V109 HydrophobicContact CG2-CB 3.88Å; V101-V109 HydrophobicContact CG2-CG1 3.59Å; V101-V109 WeakPolarHBondContact CG2-O 3.24Å; V101-V109 PolarHBondContact N-O 3.08Å; G102-V109 PolarHBondContact O-N 2.67Å; F107-V109 HydrophobicContact CD2-CG2 3.63Å; F107-V109 HydrophobicContact CE2-CG2 3.52Å; V109-Y143 HydrophobicContact CG1-CD1 4.31Å; V109-A145 HydrophobicContact CG2-CB 4.08Å; V109-L156 HydrophobicContact CG1-CD1 3.8Å; V109-L156 HydrophobicContact CG2-CD1 4.38Å; V109-L156 HydrophobicContact CG2-CD2 4.15Å; V109-F215 HydrophobicContact CB-CD1 4Å; V109-F215 HydrophobicContact CB-CE1 3.75Å; V109-F215 HydrophobicContact CB-CE2 4.45Å; V109-F215 HydrophobicContact CB-CG 4.46Å; V109-F215 HydrophobicContact CB-CZ 4.02Å; V109-F215 HydrophobicContact CG1-CB 4.4Å; V109-F215 HydrophobicContact CG1-CD1 3.77Å; V109-F215 HydrophobicContact CG1-CD2 4.1Å; V109-F215 HydrophobicContact CG1-CE1 4.03Å; V109-F215 HydrophobicContact CG1-CE2 4.37Å; V109-F215 HydrophobicContact CG1-CG 3.82Å; V109-F215 HydrophobicContact CG1-CZ 4.34Å; V109-F215 HydrophobicContact CG2-CD1 4.28Å; V109-F215 HydrophobicContact CG2-CD2 4.31Å; V109-F215 HydrophobicContact CG2-CE1 3.68Å; V109-F215 HydrophobicContact CG2-CE2 3.74Å; V109-F215 HydrophobicContact CG2-CZ 3.39Å
110	F	97.1	Very high	92.2	Very high	13 Å²	13	32.5 Å²	32.5	6%	0.057	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.3	-177.4	-59.8	-87.8	0	0	0	110.8	C98 T99 E108 Y143 F144 R146	C98-F110 HydrophobicContact CB-CB 4.21Å; T99-F110 CarbonylContact O-C 3.51Å; T99-F110 WeakPolarHBondContact O-CA 3.09Å; E108-F110 HydrophobicContact CB-CE2 3.95Å; E108-F110 HydrophobicContact CB-CZ 4.11Å; E108-F110 VanDerWaalsContact CD-CZ 3.49Å; E108-F110 HydrophobicContact CG-CE1 4.3Å; E108-F110 HydrophobicContact CG-CE2 3.86Å; E108-F110 HydrophobicContact CG-CZ 3.66Å; F110-Y143 VanDerWaalsContact O-CA 3.26Å; F110-Y143 WeakPolarHBondContact O-CA 3.45Å; F110-F144 HydrophobicContact CB-CD1 4.14Å; F110-F144 HydrophobicContact CB-CD2 4.3Å; F110-F144 HydrophobicContact CB-CE1 3.65Å; F110-F144 HydrophobicContact CB-CE2 3.83Å; F110-F144 HydrophobicContact CB-CG 4.45Å; F110-F144 HydrophobicContact CB-CZ 3.48Å; F110-F144 VanDerWaalsContact CB-CZ 3.48Å; F110-F144 HydrophobicContact CD2-CD2 4.19Å; F110-F144 AromaticContact CD2-CE2 3.65Å; F110-F144 HydrophobicContact CD2-CE2 3.65Å; F110-F144 HydrophobicContact CD2-CZ 4.09Å; F110-F144 AromaticContact CG-CE2 3.93Å; F110-F144 HydrophobicContact CG-CE2 3.93Å; F110-F144 AromaticContact CG-CZ 3.87Å; F110-F144 HydrophobicContact CG-CZ 3.87Å; F110-F144 PolarHBondContact N-O 3.33Å; F110-F144 PolarHBondContact O-N 3.41Å; F110-R146 HydrophobicContact CE2-CB 4.33Å; F110-R146 HydrophobicContact CE2-CG 4.35Å
111	R	96.6	Very high	90.9	Very high	50 Å²	50	32.9 Å²	32.9	19%	0.189	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	125.4	169.8	178.4	-177.1	-67.8	157.1	4.1	109.5	C98 T99 V101 G140 Y143 E216 H466	C98-R111 CarbonylContact C-O 3.54Å; C98-R111 WeakPolarHBondContact CA-O 3.36Å; C98-R111 VanDerWaalsContact CB-O 3.24Å; C98-R111 WeakPolarHBondContact CB-O 3.17Å; T99-R111 PolarHBondContact N-O 2.96Å; T99-R111 PolarHBondContact O-N 3.07Å; V101-R111 HydrophobicContact CG1-CB 3.62Å; R111-G140 WeakPolarHBondContact CD-O 3.41Å; R111-G140 WeakPolarHBondContact CG-O 2.91Å; R111-Y143 HydrophobicContact CB-CD1 3.84Å; R111-Y143 HydrophobicContact CB-CE1 3.66Å; R111-Y143 HydrophobicContact CG-CD1 4.34Å; R111-Y143 HydrophobicContact CG-CE1 3.86Å; R111-Y143 PolarHBondContact NE-OH 3.29Å; R111-Y143 PolarHBondContact NH2-OH 2.81Å; R111-Y143 VanDerWaalsContact NH2-OH 3.15Å; R111-E216 IonicContact CZ-OE1 3.36Å; R111-E216 IonicContact NH2-OE1 2.8Å; R111-E216 PolarHBondContact NH2-OE1 2.8Å; R111-H466 PolarHBondContact NH2-CE1 2.86Å
112	I	95.5	Very high	89.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	128.6	177.5	-57.7	177.7	0	0	0	109.4	L70 A95 V115 G140 F142 F144 I210	L70-I112 HydrophobicContact CD1-CD1 4.13Å; L70-I112 HydrophobicContact CD2-CD1 3.99Å; A95-I112 HydrophobicContact CB-CG1 4.5Å; A95-I112 HydrophobicContact CB-CG2 4.32Å; I112-V115 HydrophobicContact CG2-CG2 3.72Å; I112-G140 WeakPolarHBondContact O-CA 3.24Å; I112-F142 HydrophobicContact CB-CB 4.34Å; I112-F142 HydrophobicContact CD1-CB 3.96Å; I112-F142 HydrophobicContact CG1-CB 4.4Å; I112-F142 PolarHBondContact N-O 3.18Å; I112-F144 HydrophobicContact CD1-CD1 4.07Å; I112-F144 HydrophobicContact CG1-CD1 3.74Å; I112-F144 HydrophobicContact CG1-CE1 3.96Å; I112-I210 HydrophobicContact CD1-CG2 4.15Å
113	T	94.9	Very high	87.4	Confident	61 Å²	61	39.8 Å²	39.8	37%	0.374	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	-19.2	-179.4	57.2	0	0	0	0	113.5	G97 C98 T99	G97-T113 PolarHBondContact O-N 3.25Å; G97-T113 PolarHBondContact O-OG1 3.07Å; C98-T113 PolarHBondContact N-OG1 3.01Å; T99-T113 HydrophobicContact CG2-CG2 4.04Å
114	N	94.1	Very high	85.6	Confident	57 Å²	57	35.5 Å²	35.5	31%	0.305	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	141.2	174.7	-165.4	29	0	0	0	111.5	T96 G97	T96-N114 PolarHBondContact N-O 3.41Å; T96-N114 PolarHBondContact OG1-ND2 3.11Å; G97-N114 PolarHBondContact N-O 2.72Å; G97-N114 VanDerWaalsContact N-O 3.13Å; G97-N114 PolarHBondContact O-N 2.83Å; G97-N114 VanDerWaalsContact O-N 3.11Å
115	V	93.6	Very high	83.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.4	176.6	172.2	0	0	0	0	110.6	L70 V93 L94 I112 F117 L137 S138	L70-V115 HydrophobicContact CD1-CG2 4.07Å; V93-V115 HydrophobicContact CG1-CG1 3.59Å; L94-V115 CarbonylContact O-C 3.53Å; L94-V115 WeakPolarHBondContact O-CA 3.33Å; L94-V115 WeakPolarHBondContact O-CG1 3.3Å; I112-V115 HydrophobicContact CG2-CG2 3.72Å; V115-F117 HydrophobicContact CG1-CE2 4Å; V115-F117 HydrophobicContact CG1-CZ 4.3Å; V115-L137 HydrophobicContact CB-CB 4.26Å; V115-L137 HydrophobicContact CG1-CD1 4.16Å; V115-L137 HydrophobicContact CG2-CB 3.75Å; V115-S138 PolarHBondContact N-OG 2.89Å; V115-S138 VanDerWaalsContact N-OG 3.12Å
116	Q	92.4	Very high	82.5	Confident	50 Å²	50	38.3 Å²	38.3	23%	0.234	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	150.3	170.8	-74.7	-178.9	-15.6	0	0	110.9	L94 T96 V125	L94-Q116 PolarHBondContact N-O 3.14Å; L94-Q116 PolarHBondContact O-N 3.15Å; T96-Q116 HydrophobicContact CG2-CB 3.89Å; T96-Q116 HydrophobicContact CG2-CG 3.95Å; Q116-V125 HydrophobicContact CG-CG1 4.49Å
117	F	91.3	Very high	81.2	Confident	5 Å²	5	41.4 Å²	41.4	2%	0.022	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.2	175.4	-64.7	-98.3	0	0	0	108.1	L73 Y91 L92 V93 V115 L133 R134 L137	L73-F117 HydrophobicContact CD2-CD1 4.27Å; L73-F117 HydrophobicContact CD2-CE1 3.91Å; Y91-F117 HydrophobicContact CD1-CB 4.46Å; L92-F117 WeakPolarHBondContact O-CA 3.22Å; V93-F117 HydrophobicContact CB-CE1 4.48Å; V93-F117 HydrophobicContact CG1-CE1 4.04Å; V93-F117 HydrophobicContact CG1-CZ 4.25Å; V93-F117 HydrophobicContact CG2-CD1 3.93Å; V93-F117 HydrophobicContact CG2-CE1 3.74Å; V115-F117 HydrophobicContact CG1-CE2 4Å; V115-F117 HydrophobicContact CG1-CZ 4.3Å; F117-L133 HydrophobicContact CE1-CD2 3.93Å; F117-L133 HydrophobicContact CZ-CD2 3.91Å; F117-L133 HydrophobicContact CZ-CG 3.98Å; F117-R134 HydrophobicContact CD2-CB 4.45Å; F117-R134 HydrophobicContact CE2-CB 3.71Å; F117-R134 HydrophobicContact CE2-CG 4.12Å; F117-L137 HydrophobicContact CZ-CD1 4.32Å
118	I	87.8	Confident	79.9	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.3	173.6	-55.2	-62.1	0	0	0	107.8	L11 V64 Y91 L92 L94 M120 V125	L11-I118 HydrophobicContact CD2-CG2 4.21Å; V64-I118 HydrophobicContact CG2-CD1 3.88Å; Y91-I118 CarbonylContact C-O 3.59Å; Y91-I118 VanDerWaalsContact CA-O 3.23Å; Y91-I118 WeakPolarHBondContact CA-O 3.5Å; L92-I118 HydrophobicContact CB-CB 4.23Å; L92-I118 PolarHBondContact N-O 3.49Å; L92-I118 PolarHBondContact O-N 2.91Å; L94-I118 HydrophobicContact CD1-CD1 4.49Å; L94-I118 HydrophobicContact CD1-CG1 3.69Å; I118-M120 PolarHBondContact O-N 2.88Å; I118-V125 HydrophobicContact CD1-CB 4.36Å; I118-V125 HydrophobicContact CD1-CG1 4.28Å; I118-V125 HydrophobicContact CD1-CG2 3.63Å
119	N	84	Confident	78.9	Confident	3 Å²	3	46 Å²	46	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	129.2	174.3	-168.7	-26.4	0	0	0	109.1	Y91 K121 C122 E126	Y91-N119 HydrophobicContact CD1-CB 4.02Å; Y91-N119 HydrophobicContact CE1-CB 3.69Å; N119-K121 VanDerWaalsContact C-N 3.31Å; N119-K121 PolarHBondContact OD1-N 3.49Å; N119-C122 PolarHBondContact OD1-N 2.84Å; N119-E126 PolarHBondContact ND2-OE1 3.47Å
120	M	77.6	Confident	78.2	Confident	13 Å²	13	49.3 Å²	49.3	6%	0.064	25%	0.253	C	S	.	.	S	Bend	trans	-83.8	-8.1	-178.7	-54.7	-59.4	-67.5	0	0	112.9	V27 F40 S90 L92 I118	V27-M120 HydrophobicContact CB-CE 3.51Å; V27-M120 HydrophobicContact CB-SD 4.09Å; V27-M120 HydrophobicContact CG1-CE 4.05Å; V27-M120 HydrophobicContact CG1-SD 4.23Å; V27-M120 HydrophobicContact CG2-CE 3.6Å; V27-M120 HydrophobicContact CG2-SD 3.75Å; F40-M120 HydrophobicContact CB-CE 2.98Å; F40-M120 HydrophobicContact CD1-CE 3.37Å; F40-M120 HydrophobicContact CD2-CE 3.67Å; F40-M120 HydrophobicContact CE1-CE 4.19Å; F40-M120 HydrophobicContact CE2-CE 4.43Å; F40-M120 HydrophobicContact CG-CE 3.07Å; S90-M120 WeakPolarHBondContact O-CB 3.42Å; S90-M120 WeakPolarHBondContact O-CG 3.38Å; S90-M120 PolarHBondContact O-N 3.31Å; S90-M120 WeakPolarHBondContact OG-CB 3.45Å; S90-M120 WeakPolarHBondContact OG-CG 3.06Å; L92-M120 HydrophobicContact CB-SD 3.86Å; I118-M120 PolarHBondContact O-N 2.88Å
121	K	66.7	Low	77.7	Confident	71 Å²	71	52 Å²	52	31%	0.309	27%	0.271	S	S	.	.	S	Bend	trans	-122.4	-8.5	-174.1	-67	-169.9	178.5	-178.7	0	115.7	Y25 A87 P88 N119	Y25-K121 WeakPolarHBondContact CD2-O 3.42Å; A87-K121 VanDerWaalsContact C-NZ 3.25Å; A87-K121 PolarHBondContact O-NZ 3.35Å; P88-K121 WeakPolarHBondContact O-CE 3.28Å; P88-K121 PolarHBondContact O-NZ 3.45Å; N119-K121 VanDerWaalsContact C-N 3.31Å; N119-K121 PolarHBondContact OD1-N 3.49Å
122	C	61.1	Low	77.3	Confident	54 Å²	54	52.6 Å²	52.6	37%	0.365	28%	0.279	S	S	.	.	S	Bend	trans	-137.2	153.9	-178.6	-61.7	0	0	0	0	110.7	N119 G124	N119-C122 PolarHBondContact OD1-N 2.84Å; C122-G124 PolarHBondContact O-N 3.14Å
123	Q	52.5	Low	77.1	Confident	126 Å²	126	52.7 Å²	52.7	59%	0.589	28%	0.279	S	S	*	.	S	Bend	trans	-64.2	131	175.9	-73.5	-168.6	-21.8	0	0	111.8	Y25	Y25-Q123 HydrophobicContact CD1-CG 4.26Å; Y25-Q123 HydrophobicContact CE1-CB 4.43Å; Y25-Q123 HydrophobicContact CE1-CG 3.35Å
124	G	56.3	Low	76.9	Confident	32 Å²	32	54 Å²	54	33%	0.33	28%	0.277	S	S	.	.	S	Bend	trans	113.3	161.6	160.8	0	0	0	0	0	115.3	C122 E126	C122-G124 PolarHBondContact O-N 3.14Å; G124-E126 PolarHBondContact O-N 3.12Å
125	V	56.1	Low	76.7	Confident	53 Å²	53	57 Å²	57	32%	0.321	29%	0.288	S	S	.	.			trans	-80.9	103.1	162.5	-172.1	0	0	0	0	105.9	V64 Q116 I118 E127	V64-V125 HydrophobicContact CG2-CG2 4.03Å; Q116-V125 HydrophobicContact CG-CG1 4.49Å; I118-V125 HydrophobicContact CD1-CB 4.36Å; I118-V125 HydrophobicContact CD1-CG1 4.28Å; I118-V125 HydrophobicContact CD1-CG2 3.63Å; V125-E127 PolarHBondContact O-N 3.47Å
126	E	61.1	Low	76.5	Confident	79 Å²	79	57.5 Å²	57.5	37%	0.369	29%	0.29	S	S	.	.			trans	-76.6	110.1	172.1	-69.6	-179.8	-133.6	0	0	108.3	N119 G124 D128 I129	N119-E126 PolarHBondContact ND2-OE1 3.47Å; G124-E126 PolarHBondContact O-N 3.12Å; E126-D128 VanDerWaalsContact C-N 3.27Å; E126-D128 PolarHBondContact O-N 2.94Å; E126-I129 HydrophobicContact CB-CD1 3.44Å; E126-I129 VanDerWaalsContact CB-CD1 3.44Å; E126-I129 HydrophobicContact CB-CG1 3.37Å; E126-I129 VanDerWaalsContact CD-CD1 3.41Å; E126-I129 HydrophobicContact CG-CD1 3.96Å; E126-I129 HydrophobicContact CG-CG1 4.23Å; E126-I129 WeakPolarHBondContact OE2-CD1 3.4Å; E126-I129 WeakPolarHBondContact OE2-CG1 3.43Å
127	E	59.1	Low	76.5	Confident	145 Å²	145	55.1 Å²	55.1	68%	0.678	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.6	-173.4	-65.5	-166	151.4	0	0	114.1	V125 R134	V125-E127 PolarHBondContact O-N 3.47Å; E127-R134 PolarHBondContact O-NH1 2.86Å
128	D	67	Low	76.5	Confident	135 Å²	135	56.2 Å²	56.2	72%	0.722	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	14.1	-169.5	-78.3	-22.8	0	0	0	115.3	E126	E126-D128 VanDerWaalsContact C-N 3.27Å; E126-D128 PolarHBondContact O-N 2.94Å
129	I	74.2	Confident	76.6	Confident	17 Å²	17	58.8 Å²	58.8	9%	0.087	31%	0.305	C	S	.	.	S	Bend	trans	-77.4	130.8	173.6	-46.7	-176.3	0	0	0	110.4	Y91 E126	Y91-I129 HydrophobicContact CD1-CD1 3.81Å; Y91-I129 HydrophobicContact CE1-CD1 3.05Å; Y91-I129 HydrophobicContact CE1-CG1 4.47Å; Y91-I129 HydrophobicContact CE1-CG2 4.26Å; Y91-I129 HydrophobicContact CE2-CG2 4.43Å; E126-I129 HydrophobicContact CB-CD1 3.44Å; E126-I129 VanDerWaalsContact CB-CD1 3.44Å; E126-I129 HydrophobicContact CB-CG1 3.37Å; E126-I129 VanDerWaalsContact CD-CD1 3.41Å; E126-I129 HydrophobicContact CG-CD1 3.96Å; E126-I129 HydrophobicContact CG-CG1 4.23Å; E126-I129 WeakPolarHBondContact OE2-CD1 3.4Å; E126-I129 WeakPolarHBondContact OE2-CG1 3.43Å
130	Y	83.8	Confident	76.7	Confident	70 Å²	70	59.3 Å²	59.3	28%	0.275	31%	0.311	S	S	.	.	S	Bend	trans	47.9	57.3	177.2	-55.5	-57.7	0	0	0	112.9	L73 P75 Y91 D132 L133 R134 M510	L73-Y130 HydrophobicContact CD2-CD2 3.72Å; L73-Y130 HydrophobicContact CD2-CE2 3.97Å; P75-Y130 HydrophobicContact CB-CE1 4.46Å; P75-Y130 HydrophobicContact CB-CE2 4.18Å; P75-Y130 WeakPolarHBondContact CB-OH 3.45Å; P75-Y130 HydrophobicContact CG-CE2 3.61Å; P75-Y130 WeakPolarHBondContact CG-OH 3.05Å; Y91-Y130 HydrophobicContact CD2-CE2 4.08Å; Y91-Y130 AromaticContact CE2-CE2 3.77Å; Y91-Y130 HydrophobicContact CE2-CE2 3.77Å; Y130-D132 PolarHBondContact O-N 3.47Å; Y130-D132 VanDerWaalsContact O-N 3.08Å; Y130-L133 PolarHBondContact O-N 3.29Å; Y130-R134 PolarHBondContact O-N 2.92Å; Y130-M510 HydrophobicContact CD1-CE 3.58Å; Y130-M510 HydrophobicContact CD1-SD 3.78Å; Y130-M510 HydrophobicContact CD2-CE 4.45Å; Y130-M510 HydrophobicContact CE1-CE 4.41Å; Y130-M510 HydrophobicContact CE1-SD 4.01Å; Y130-M510 HydrophobicContact CG-CE 3.65Å; Y130-M510 HydrophobicContact CG-SD 4.14Å
131	P	87.1	Confident	77.4	Confident	69 Å²	69	59 Å²	59	45%	0.448	31%	0.31	S	S	.	.	H	α-helix	trans	-57	-33.7	-171.8	23.8	-34.7	0	0	0	112.4	R134 K135	P131-R134 PolarHBondContact O-N 3.42Å; P131-K135 WeakPolarHBondContact O-CB 3.43Å; P131-K135 PolarHBondContact O-N 2.8Å
132	D	88.2	Confident	78.8	Confident	63 Å²	63	55.7 Å²	55.7	34%	0.337	30%	0.295	S	S	.	.	H	α-helix	trans	-70.2	-36.9	178.7	-62.1	-52.4	0	0	0	113.1	Y130 L136 A503 A507	Y130-D132 PolarHBondContact O-N 3.47Å; Y130-D132 VanDerWaalsContact O-N 3.08Å; D132-L136 WeakPolarHBondContact O-CB 3.27Å; D132-L136 PolarHBondContact O-N 3.21Å; D132-A503 HydrophobicContact CB-CB 4.29Å; D132-A507 HydrophobicContact CB-CB 4.19Å
133	L	90	Very high	80.5	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-70.6	-42.9	174	178.3	61.9	0	0	0	111.2	L73 F117 Y130 K135 L136 L137 A507 M510 L511	L73-L133 HydrophobicContact CD1-CD2 4.37Å; L73-L133 HydrophobicContact CD2-CD2 3.82Å; F117-L133 HydrophobicContact CE1-CD2 3.93Å; F117-L133 HydrophobicContact CZ-CD2 3.91Å; F117-L133 HydrophobicContact CZ-CG 3.98Å; Y130-L133 PolarHBondContact O-N 3.29Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 3.33Å; L133-L136 HydrophobicContact CD1-CD2 4.39Å; L133-L136 WeakPolarHBondContact O-CB 3.28Å; L133-L136 PolarHBondContact O-N 3.03Å; L133-L137 HydrophobicContact CD1-CD1 4.12Å; L133-L137 HydrophobicContact CD1-CG 4.19Å; L133-L137 HydrophobicContact CG-CD1 4.17Å; L133-L137 PolarHBondContact O-N 3.48Å; L133-A507 HydrophobicContact CB-CB 4.33Å; L133-M510 HydrophobicContact CB-CE 3.55Å; L133-M510 HydrophobicContact CD2-CE 3.69Å; L133-M510 HydrophobicContact CD2-CG 4.43Å; L133-M510 HydrophobicContact CG-CE 4.17Å; L133-L511 HydrophobicContact CD1-CB 3.84Å; L133-L511 HydrophobicContact CD1-CD1 4.43Å; L133-L511 HydrophobicContact CD1-CD2 4.49Å; L133-L511 HydrophobicContact CD1-CG 4.48Å
134	R	90.6	Very high	82.7	Confident	88 Å²	88	47.1 Å²	47.1	33%	0.332	25%	0.25	S	C	.	.	H	α-helix	trans	-57.3	-46.4	173.6	-174.4	176.7	143.9	-132.5	-7.7	111.2	F117 E127 Y130 P131 L137 S138	F117-R134 HydrophobicContact CD2-CB 4.45Å; F117-R134 HydrophobicContact CE2-CB 3.71Å; F117-R134 HydrophobicContact CE2-CG 4.12Å; E127-R134 PolarHBondContact O-NH1 2.86Å; Y130-R134 PolarHBondContact O-N 2.92Å; P131-R134 PolarHBondContact O-N 3.42Å; R134-L137 PolarHBondContact O-N 3.44Å; R134-S138 WeakPolarHBondContact O-CB 3.49Å; R134-S138 PolarHBondContact O-N 3.41Å; R134-S138 PolarHBondContact O-OG 2.81Å
135	K	89.4	Confident	84.5	Confident	122 Å²	122	45.6 Å²	45.6	53%	0.53	23%	0.234	S	C	.	.	H	α-helix	trans	-63.4	-39	176.6	-175.6	178.9	-179.3	-179.3	0	112.1	P131 L133 S139	P131-K135 WeakPolarHBondContact O-CB 3.43Å; P131-K135 PolarHBondContact O-N 2.8Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 3.33Å; K135-S139 PolarHBondContact O-N 3.04Å
136	L	90.4	Very high	86.2	Confident	10 Å²	10	44.2 Å²	44.2	5%	0.052	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-54.3	175.2	177.1	64.2	0	0	0	110.9	D132 L133 S138 S139 F142 K504 A507 M508 L511	D132-L136 WeakPolarHBondContact O-CB 3.27Å; D132-L136 PolarHBondContact O-N 3.21Å; L133-L136 HydrophobicContact CD1-CD2 4.39Å; L133-L136 WeakPolarHBondContact O-CB 3.28Å; L133-L136 PolarHBondContact O-N 3.03Å; L136-S138 VanDerWaalsContact C-N 3.3Å; L136-S138 PolarHBondContact O-N 3.37Å; L136-S139 WeakPolarHBondContact O-CB 3.39Å; L136-S139 PolarHBondContact O-N 2.84Å; L136-S139 VanDerWaalsContact O-N 3.16Å; L136-S139 PolarHBondContact O-OG 2.97Å; L136-F142 HydrophobicContact CD1-CE2 4.15Å; L136-F142 HydrophobicContact CD1-CZ 4.39Å; L136-F142 HydrophobicContact CG-CE2 3.98Å; L136-F142 HydrophobicContact CG-CZ 4.15Å; L136-F142 VanDerWaalsContact O-CE2 3.25Å; L136-F142 WeakPolarHBondContact O-CE2 3.38Å; L136-K504 HydrophobicContact CD1-CG 4.24Å; L136-A507 HydrophobicContact CB-CB 4.18Å; L136-A507 HydrophobicContact CD2-CB 3.85Å; L136-M508 HydrophobicContact CD1-CE 4.17Å; L136-M508 HydrophobicContact CD1-CG 4.48Å; L136-M508 HydrophobicContact CD2-CB 4.48Å; L136-M508 HydrophobicContact CD2-CG 3.78Å; L136-L511 HydrophobicContact CD2-CD2 4.46Å
137	L	92.6	Very high	87.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.4	-32.4	-177.9	-69.4	170.1	0	0	0	112.7	L70 V93 V115 F117 L133 R134 S139 F142 I210 L511	L70-L137 HydrophobicContact CD1-CD1 4.47Å; V93-L137 HydrophobicContact CG1-CD1 3.94Å; V115-L137 HydrophobicContact CB-CB 4.26Å; V115-L137 HydrophobicContact CG1-CD1 4.16Å; V115-L137 HydrophobicContact CG2-CB 3.75Å; F117-L137 HydrophobicContact CZ-CD1 4.32Å; L133-L137 HydrophobicContact CD1-CD1 4.12Å; L133-L137 HydrophobicContact CD1-CG 4.19Å; L133-L137 HydrophobicContact CG-CD1 4.17Å; L133-L137 PolarHBondContact O-N 3.48Å; R134-L137 PolarHBondContact O-N 3.44Å; L137-S139 VanDerWaalsContact C-N 3.26Å; L137-S139 PolarHBondContact O-N 3.31Å; L137-F142 HydrophobicContact CD2-CD1 4.44Å; L137-F142 HydrophobicContact CD2-CD2 4.36Å; L137-F142 HydrophobicContact CD2-CE1 4.33Å; L137-F142 HydrophobicContact CD2-CE2 4.28Å; L137-F142 HydrophobicContact CD2-CG 4.45Å; L137-F142 HydrophobicContact CD2-CZ 4.25Å; L137-I210 HydrophobicContact CD2-CD1 4.17Å; L137-L511 HydrophobicContact CD2-CD1 4.28Å; L137-L511 HydrophobicContact CD2-CD2 3.86Å
138	S	92	Very high	88.9	Confident	28 Å²	28	37.3 Å²	37.3	20%	0.196	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	6.7	177.4	-49.3	0	0	0	0	113.5	V115 R134 L136 G140	V115-S138 PolarHBondContact N-OG 2.89Å; V115-S138 VanDerWaalsContact N-OG 3.12Å; R134-S138 WeakPolarHBondContact O-CB 3.49Å; R134-S138 PolarHBondContact O-N 3.41Å; R134-S138 PolarHBondContact O-OG 2.81Å; L136-S138 VanDerWaalsContact C-N 3.3Å; L136-S138 PolarHBondContact O-N 3.37Å; S138-G140 PolarHBondContact O-N 2.92Å; S138-G140 VanDerWaalsContact O-N 3.16Å
139	S	88.1	Confident	89.8	Confident	55 Å²	55	37.9 Å²	37.9	39%	0.385	20%	0.197	S	C	.	.	S	Bend	trans	-71.2	-6.2	-175.2	63.7	0	0	0	0	115	K135 L136 L137 M141	K135-S139 PolarHBondContact O-N 3.04Å; L136-S139 WeakPolarHBondContact O-CB 3.39Å; L136-S139 PolarHBondContact O-N 2.84Å; L136-S139 VanDerWaalsContact O-N 3.16Å; L136-S139 PolarHBondContact O-OG 2.97Å; L137-S139 VanDerWaalsContact C-N 3.26Å; L137-S139 PolarHBondContact O-N 3.31Å; S139-M141 VanDerWaalsContact C-N 3.26Å; S139-M141 PolarHBondContact O-N 3.2Å; S139-M141 WeakPolarHBondContact OG-CB 3.39Å; S139-M141 WeakPolarHBondContact OG-CG 3.47Å
140	G	87.7	Confident	90.3	Very high	13 Å²	13	40 Å²	40	13%	0.134	21%	0.209	C	C	.	.	S	Bend	trans	76.7	10.4	-173.4	0	0	0	0	0	114.2	R111 I112 S138	R111-G140 WeakPolarHBondContact CD-O 3.41Å; R111-G140 WeakPolarHBondContact CG-O 2.91Å; I112-G140 WeakPolarHBondContact O-CA 3.24Å; S138-G140 PolarHBondContact O-N 2.92Å; S138-G140 VanDerWaalsContact O-N 3.16Å
141	M	91.4	Very high	90.3	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.039	20%	0.203	C	C	.	.			trans	-97.5	-7.2	-179.8	-55.3	-45.9	-54.1	0	0	113.6	S139 Y143 C212 G213 H466 R469 I470	S139-M141 VanDerWaalsContact C-N 3.26Å; S139-M141 PolarHBondContact O-N 3.2Å; S139-M141 WeakPolarHBondContact OG-CB 3.39Å; S139-M141 WeakPolarHBondContact OG-CG 3.47Å; M141-Y143 WeakPolarHBondContact O-CE2 3.46Å; M141-C212 CarbonylContact O-C 3.59Å; M141-C212 WeakPolarHBondContact O-CA 3.31Å; M141-G213 VanDerWaalsContact CE-O 3.26Å; M141-G213 WeakPolarHBondContact CE-O 3.26Å; M141-G213 PolarHBondContact O-N 2.98Å; M141-H466 HydrophobicContact CE-CB 4.01Å; M141-H466 WeakPolarHBondContact CE-O 3.38Å; M141-R469 HydrophobicContact CE-CB 4.2Å; M141-R469 HydrophobicContact SD-CB 3.99Å; M141-I470 HydrophobicContact CB-CD1 4.22Å; M141-I470 HydrophobicContact CB-CG1 3.89Å; M141-I470 HydrophobicContact CE-CD1 3.39Å; M141-I470 HydrophobicContact CE-CG1 3.5Å; M141-I470 VanDerWaalsContact CE-CG1 3.5Å; M141-I470 HydrophobicContact CG-CD1 4.49Å; M141-I470 HydrophobicContact CG-CG1 3.82Å; M141-I470 HydrophobicContact SD-CG1 4.38Å
142	F	96.3	Very high	90.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	139.9	-178.1	-66.9	-89.8	0	0	0	111.7	I112 L136 L137 W188 I210 I211 C212 L511	I112-F142 HydrophobicContact CB-CB 4.34Å; I112-F142 HydrophobicContact CD1-CB 3.96Å; I112-F142 HydrophobicContact CG1-CB 4.4Å; I112-F142 PolarHBondContact N-O 3.18Å; L136-F142 HydrophobicContact CD1-CE2 4.15Å; L136-F142 HydrophobicContact CD1-CZ 4.39Å; L136-F142 HydrophobicContact CG-CE2 3.98Å; L136-F142 HydrophobicContact CG-CZ 4.15Å; L136-F142 VanDerWaalsContact O-CE2 3.25Å; L136-F142 WeakPolarHBondContact O-CE2 3.38Å; L137-F142 HydrophobicContact CD2-CD1 4.44Å; L137-F142 HydrophobicContact CD2-CD2 4.36Å; L137-F142 HydrophobicContact CD2-CE1 4.33Å; L137-F142 HydrophobicContact CD2-CE2 4.28Å; L137-F142 HydrophobicContact CD2-CG 4.45Å; L137-F142 HydrophobicContact CD2-CZ 4.25Å; F142-W188 HydrophobicContact CD1-CB 4.37Å; F142-W188 HydrophobicContact CE1-CB 3.91Å; F142-W188 AromaticContact CE1-CD2 3.84Å; F142-W188 HydrophobicContact CE1-CD2 3.84Å; F142-W188 AromaticContact CE1-CE3 3.6Å; F142-W188 HydrophobicContact CE1-CE3 3.6Å; F142-W188 AromaticContact CE1-CG 3.99Å; F142-W188 HydrophobicContact CE1-CG 3.99Å; F142-W188 HydrophobicContact CE1-CZ3 4.36Å; F142-W188 HydrophobicContact CZ-CD2 4.45Å; F142-W188 AromaticContact CZ-CE3 3.83Å; F142-W188 HydrophobicContact CZ-CE3 3.83Å; F142-W188 HydrophobicContact CZ-CZ3 4.17Å; F142-I210 HydrophobicContact CD1-CD1 3.74Å; F142-I210 HydrophobicContact CD1-CG1 4.13Å; F142-I210 HydrophobicContact CE1-CD1 4.29Å; F142-I210 HydrophobicContact CG-CD1 4.46Å; F142-I211 VanDerWaalsContact CA-O 3.26Å; F142-I211 WeakPolarHBondContact CA-O 3.21Å; F142-C212 HydrophobicContact CD1-CB 4.04Å; F142-C212 HydrophobicContact CE1-CB 3.76Å; F142-C212 HydrophobicContact CZ-CB 4.26Å; F142-L511 HydrophobicContact CE1-CD2 4.16Å; F142-L511 HydrophobicContact CZ-CD2 4.13Å
143	Y	97.8	Very high	90.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144.6	-176.4	-56.1	-101.4	0	0	0	110.8	V101 V109 F110 R111 M141 I210 I211 G213 F215	V101-Y143 HydrophobicContact CG1-CE1 4.33Å; V101-Y143 HydrophobicContact CG2-CD1 4.09Å; V101-Y143 HydrophobicContact CG2-CE1 4.2Å; V109-Y143 HydrophobicContact CG1-CD1 4.31Å; F110-Y143 VanDerWaalsContact O-CA 3.26Å; F110-Y143 WeakPolarHBondContact O-CA 3.45Å; R111-Y143 HydrophobicContact CB-CD1 3.84Å; R111-Y143 HydrophobicContact CB-CE1 3.66Å; R111-Y143 HydrophobicContact CG-CD1 4.34Å; R111-Y143 HydrophobicContact CG-CE1 3.86Å; R111-Y143 PolarHBondContact NE-OH 3.29Å; R111-Y143 PolarHBondContact NH2-OH 2.81Å; R111-Y143 VanDerWaalsContact NH2-OH 3.15Å; M141-Y143 WeakPolarHBondContact O-CE2 3.46Å; Y143-I210 VanDerWaalsContact O-CA 3.29Å; Y143-I210 WeakPolarHBondContact O-CA 3.19Å; Y143-I211 HydrophobicContact CD2-CG1 4.49Å; Y143-I211 PolarHBondContact N-O 3.12Å; Y143-I211 PolarHBondContact O-N 2.77Å; Y143-G213 WeakPolarHBondContact CE2-O 3.22Å; Y143-F215 HydrophobicContact CD1-CB 3.85Å; Y143-F215 HydrophobicContact CE1-CB 3.91Å; Y143-F215 HydrophobicContact CG-CB 4.26Å
144	F	96.9	Very high	90.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	163.2	168.5	68.9	-89	0	0	0	109.6	A68 C98 F110 I112 R146 V208 I210	A68-F144 HydrophobicContact CB-CE1 4.42Å; A68-F144 HydrophobicContact CB-CE2 4.16Å; A68-F144 HydrophobicContact CB-CZ 4.08Å; C98-F144 HydrophobicContact CB-CE1 4.13Å; C98-F144 HydrophobicContact CB-CZ 4.39Å; F110-F144 HydrophobicContact CB-CD1 4.14Å; F110-F144 HydrophobicContact CB-CD2 4.3Å; F110-F144 HydrophobicContact CB-CE1 3.65Å; F110-F144 HydrophobicContact CB-CE2 3.83Å; F110-F144 HydrophobicContact CB-CG 4.45Å; F110-F144 HydrophobicContact CB-CZ 3.48Å; F110-F144 VanDerWaalsContact CB-CZ 3.48Å; F110-F144 HydrophobicContact CD2-CD2 4.19Å; F110-F144 AromaticContact CD2-CE2 3.65Å; F110-F144 HydrophobicContact CD2-CE2 3.65Å; F110-F144 HydrophobicContact CD2-CZ 4.09Å; F110-F144 AromaticContact CG-CE2 3.93Å; F110-F144 HydrophobicContact CG-CE2 3.93Å; F110-F144 AromaticContact CG-CZ 3.87Å; F110-F144 HydrophobicContact CG-CZ 3.87Å; F110-F144 PolarHBondContact N-O 3.33Å; F110-F144 PolarHBondContact O-N 3.41Å; I112-F144 HydrophobicContact CD1-CD1 4.07Å; I112-F144 HydrophobicContact CG1-CD1 3.74Å; I112-F144 HydrophobicContact CG1-CE1 3.96Å; F144-R146 HydrophobicContact CD2-CG 4.47Å; F144-R146 HydrophobicContact CE2-CG 4.36Å; F144-V208 HydrophobicContact CB-CB 3.92Å; F144-V208 HydrophobicContact CB-CG2 3.77Å; F144-V208 HydrophobicContact CD1-CG2 4.41Å; F144-V208 HydrophobicContact CD2-CB 4.2Å; F144-V208 HydrophobicContact CD2-CG1 3.95Å; F144-V208 HydrophobicContact CD2-CG2 4.19Å; F144-V208 HydrophobicContact CG-CB 4.23Å; F144-V208 HydrophobicContact CG-CG1 4.46Å; F144-V208 HydrophobicContact CG-CG2 3.88Å; F144-I210 HydrophobicContact CB-CG2 4.24Å
145	A	95.6	Very high	90.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	164.5	175.5	0	0	0	0	0	112.6	F107 E108 V109 F154 L156	F107-A145 HydrophobicContact CD2-CB 3.77Å; F107-A145 HydrophobicContact CE2-CB 4.43Å; F107-A145 HydrophobicContact CG-CB 4.48Å; E108-A145 CarbonylContact O-C 3.52Å; E108-A145 WeakPolarHBondContact O-CA 3.45Å; E108-A145 WeakPolarHBondContact O-CB 3.24Å; V109-A145 HydrophobicContact CG2-CB 4.08Å; A145-F154 HydrophobicContact CB-CB 3.81Å; A145-F154 HydrophobicContact CB-CD1 3.86Å; A145-F154 HydrophobicContact CB-CG 4.27Å; A145-F154 PolarHBondContact O-N 3Å; A145-L156 HydrophobicContact CB-CD1 3.77Å; A145-L156 HydrophobicContact CB-CD2 3.63Å; A145-L156 HydrophobicContact CB-CG 3.48Å; A145-L156 VanDerWaalsContact CB-CG 3.48Å
146	R	91.7	Very high	90.5	Very high	24 Å²	24	30.4 Å²	30.4	9%	0.091	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	142.7	175.7	-68.4	-177.8	163	156.5	-3.4	111.4	L4 N6 Y67 F107 E108 F110 F144 N148 K152	L4-R146 PolarHBondContact O-NH1 3.23Å; N6-R146 PolarHBondContact ND2-NE 3.47Å; N6-R146 PolarHBondContact ND2-NH1 3.32Å; N6-R146 PolarHBondContact ND2-NH2 3.26Å; Y67-R146 PolarHBondContact O-NH1 3.34Å; Y67-R146 PolarHBondContact O-NH2 3Å; F107-R146 CarbonylContact C-O 3.59Å; F107-R146 WeakPolarHBondContact CA-O 3.43Å; F107-R146 WeakPolarHBondContact CB-O 3.5Å; E108-R146 PolarHBondContact N-O 3.08Å; E108-R146 PolarHBondContact O-N 3.46Å; F110-R146 HydrophobicContact CE2-CB 4.33Å; F110-R146 HydrophobicContact CE2-CG 4.35Å; F144-R146 HydrophobicContact CD2-CG 4.47Å; F144-R146 HydrophobicContact CE2-CG 4.36Å; R146-N148 PolarHBondContact O-N 2.91Å; R146-K152 CarbonylContact C-O 3.55Å; R146-K152 VanDerWaalsContact CA-O 3.31Å; R146-K152 WeakPolarHBondContact CA-O 3.33Å
147	S	89.4	Confident	90.6	Very high	23 Å²	23	30 Å²	30	16%	0.161	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	133.4	169.6	163.6	0	0	0	0	110.7	L106 I149 D150 G151 K152	L106-S147 WeakPolarHBondContact O-CA 3.29Å; S147-I149 PolarHBondContact O-N 3.29Å; S147-I149 PolarHBondContact OG-N 2.77Å; S147-I149 VanDerWaalsContact OG-N 3.14Å; S147-D150 WeakPolarHBondContact CB-OD1 3.25Å; S147-D150 PolarHBondContact OG-N 2.94Å; S147-D150 PolarHBondContact OG-OD1 3.34Å; S147-G151 VanDerWaalsContact O-CA 3.29Å; S147-G151 WeakPolarHBondContact O-CA 3.36Å; S147-G151 PolarHBondContact O-N 3.34Å; S147-G151 VanDerWaalsContact O-N 3.12Å; S147-K152 PolarHBondContact N-O 3.44Å
148	N	87.6	Confident	90.7	Very high	56 Å²	56	30.2 Å²	30.2	30%	0.299	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-18.3	173.4	-72.4	-31.7	0	0	0	112.4	K103 L104 P105 L106 F107 E108 R146	K103-N148 WeakPolarHBondContact CE-OD1 3.41Å; L104-N148 PolarHBondContact O-ND2 2.99Å; P105-N148 PolarHBondContact O-ND2 3.4Å; L106-N148 PolarHBondContact O-N 2.76Å; F107-N148 PolarHBondContact N-ND2 2.95Å; E108-N148 PolarHBondContact N-OD1 3.06Å; R146-N148 PolarHBondContact O-N 2.91Å
149	I	84.6	Confident	90.8	Very high	147 Å²	147	29.1 Å²	29.1	75%	0.754	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-53.3	-170.9	-58.4	173.1	0	0	0	110.2	S147	S147-I149 PolarHBondContact O-N 3.29Å; S147-I149 PolarHBondContact OG-N 2.77Å; S147-I149 VanDerWaalsContact OG-N 3.14Å
150	D	84.5	Confident	91.1	Very high	63 Å²	63	27.5 Å²	27.5	34%	0.337	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	0.6	-171.1	65.2	-7.3	0	0	0	113.5	F33 S147 K152	F33-D150 WeakPolarHBondContact CD1-O 3.33Å; F33-D150 WeakPolarHBondContact CE1-O 3.26Å; S147-D150 WeakPolarHBondContact CB-OD1 3.25Å; S147-D150 PolarHBondContact OG-N 2.94Å; S147-D150 PolarHBondContact OG-OD1 3.34Å; D150-K152 HydrophobicContact CB-CG 4.5Å; D150-K152 PolarHBondContact O-N 3.11Å; D150-K152 PolarHBondContact OD1-N 2.91Å; D150-K152 WeakPolarHBondContact OD2-CD 3.3Å; D150-K152 VanDerWaalsContact OD2-CE 3.24Å; D150-K152 WeakPolarHBondContact OD2-CE 3.45Å; D150-K152 WeakPolarHBondContact OD2-CG 3.47Å; D150-K152 IonicContact OD2-NZ 3.53Å
151	G	84.1	Confident	91.4	Very high	16 Å²	16	27.7 Å²	27.7	17%	0.165	15%	0.145	C	C	.	.			trans	72.4	1.8	178.4	0	0	0	0	0	115.1	S147	S147-G151 VanDerWaalsContact O-CA 3.29Å; S147-G151 WeakPolarHBondContact O-CA 3.36Å; S147-G151 PolarHBondContact O-N 3.34Å; S147-G151 VanDerWaalsContact O-N 3.12Å
152	K	86.2	Confident	91.4	Very high	112 Å²	112	28.5 Å²	28.5	49%	0.487	15%	0.15	S	C	.	.			trans	-64.8	155.2	178.8	-71.9	-172.5	-167.6	170.2	0	111.9	R146 S147 D150 F154	R146-K152 CarbonylContact C-O 3.55Å; R146-K152 VanDerWaalsContact CA-O 3.31Å; R146-K152 WeakPolarHBondContact CA-O 3.33Å; S147-K152 PolarHBondContact N-O 3.44Å; D150-K152 HydrophobicContact CB-CG 4.5Å; D150-K152 PolarHBondContact O-N 3.11Å; D150-K152 PolarHBondContact OD1-N 2.91Å; D150-K152 WeakPolarHBondContact OD2-CD 3.3Å; D150-K152 VanDerWaalsContact OD2-CE 3.24Å; D150-K152 WeakPolarHBondContact OD2-CE 3.45Å; D150-K152 WeakPolarHBondContact OD2-CG 3.47Å; D150-K152 IonicContact OD2-NZ 3.53Å; K152-F154 PolarHBondContact O-N 3.04Å
153	P	89.3	Confident	91	Very high	40 Å²	40	29.9 Å²	29.9	26%	0.26	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	134.3	172.1	-27.9	37.9	0	0	0	112.3	S204 L207 V208	P153-S204 WeakPolarHBondContact CG-O 3.42Å; P153-L207 WeakPolarHBondContact CG-O 3.44Å; P153-V208 HydrophobicContact CB-CG1 4.12Å; P153-V208 HydrophobicContact CG-CG1 4.12Å
154	F	89.7	Confident	90.6	Very high	19 Å²	19	32.2 Å²	32.2	8%	0.083	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.5	174.6	-174.5	-86.9	0	0	0	109.7	F107 A145 K152 L156	F107-F154 HydrophobicContact CB-CB 4.07Å; F107-F154 HydrophobicContact CB-CD1 3.95Å; F107-F154 HydrophobicContact CB-CD2 3.9Å; F107-F154 HydrophobicContact CB-CE1 4.32Å; F107-F154 HydrophobicContact CB-CE2 4.29Å; F107-F154 HydrophobicContact CB-CG 3.7Å; F107-F154 HydrophobicContact CB-CZ 4.47Å; F107-F154 AromaticContact CD1-CD1 3.73Å; F107-F154 HydrophobicContact CD1-CD1 3.73Å; F107-F154 HydrophobicContact CD1-CD2 4.03Å; F107-F154 AromaticContact CD1-CE1 3.22Å; F107-F154 HydrophobicContact CD1-CE1 3.22Å; F107-F154 AromaticContact CD1-CE2 3.57Å; F107-F154 HydrophobicContact CD1-CE2 3.57Å; F107-F154 HydrophobicContact CD1-CG 4.09Å; F107-F154 AromaticContact CD1-CZ 3.11Å; F107-F154 HydrophobicContact CD1-CZ 3.11Å; F107-F154 AromaticContact CD2-CD1 3.8Å; F107-F154 HydrophobicContact CD2-CD1 3.8Å; F107-F154 AromaticContact CD2-CE1 3.89Å; F107-F154 HydrophobicContact CD2-CE1 3.89Å; F107-F154 HydrophobicContact CD2-CG 4.42Å; F107-F154 HydrophobicContact CE1-CD1 4.14Å; F107-F154 AromaticContact CE1-CE1 3.27Å; F107-F154 HydrophobicContact CE1-CE1 3.27Å; F107-F154 HydrophobicContact CE1-CE2 4.19Å; F107-F154 AromaticContact CE1-CZ 3.28Å; F107-F154 HydrophobicContact CE1-CZ 3.28Å; F107-F154 HydrophobicContact CE2-CD1 4.15Å; F107-F154 AromaticContact CE2-CE1 3.88Å; F107-F154 HydrophobicContact CE2-CE1 3.88Å; F107-F154 AromaticContact CG-CD1 3.55Å; F107-F154 HydrophobicContact CG-CD1 3.55Å; F107-F154 HydrophobicContact CG-CD2 4.14Å; F107-F154 AromaticContact CG-CE1 3.55Å; F107-F154 HydrophobicContact CG-CE1 3.55Å; F107-F154 HydrophobicContact CG-CE2 4.15Å; F107-F154 AromaticContact CG-CG 3.84Å; F107-F154 HydrophobicContact CG-CG 3.84Å; F107-F154 AromaticContact CG-CZ 3.85Å; F107-F154 HydrophobicContact CG-CZ 3.85Å; F107-F154 HydrophobicContact CZ-CD1 4.32Å; F107-F154 AromaticContact CZ-CE1 3.59Å; F107-F154 HydrophobicContact CZ-CE1 3.59Å; F107-F154 HydrophobicContact CZ-CZ 4.08Å; A145-F154 HydrophobicContact CB-CB 3.81Å; A145-F154 HydrophobicContact CB-CD1 3.86Å; A145-F154 HydrophobicContact CB-CG 4.27Å; A145-F154 PolarHBondContact O-N 3Å; K152-F154 PolarHBondContact O-N 3.04Å; F154-L156 HydrophobicContact CD1-CD2 4.24Å; F154-L156 HydrophobicContact CE1-CD2 4.45Å; F154-L156 PolarHBondContact O-N 2.9Å; F154-L156 VanDerWaalsContact O-N 3.13Å
155	D	90.7	Very high	89.8	Confident	19 Å²	19	36.3 Å²	36.3	10%	0.102	19%	0.187	C	C	.	.			trans	-79.1	99.3	-171.6	-167.1	-7.8	0	0	0	112.3	T157 R163 S209	D155-T157 VanDerWaalsContact CG-OG1 3.25Å; D155-T157 PolarHBondContact O-N 3.2Å; D155-T157 VanDerWaalsContact OD1-CB 3.24Å; D155-T157 WeakPolarHBondContact OD1-CB 3.22Å; D155-T157 VanDerWaalsContact OD1-CG2 3.25Å; D155-T157 WeakPolarHBondContact OD1-CG2 3.46Å; D155-T157 PolarHBondContact OD1-N 3.45Å; D155-T157 PolarHBondContact OD1-OG1 3.05Å; D155-T157 PolarHBondContact OD2-OG1 3.1Å; D155-R163 PolarHBondContact O-NH1 2.9Å; D155-R163 PolarHBondContact O-NH2 3.37Å; D155-S209 WeakPolarHBondContact OD1-CB 3.38Å
156	L	93.9	Very high	89	Confident	5 Å²	5	38.5 Å²	38.5	3%	0.026	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	0.6	173.9	-69.6	-179.5	0	0	0	113.5	F107 V109 A145 F154 V158 I211 R234	F107-L156 HydrophobicContact CD2-CD2 4.33Å; F107-L156 HydrophobicContact CE2-CD2 3.75Å; F107-L156 HydrophobicContact CZ-CD2 4.43Å; V109-L156 HydrophobicContact CG1-CD1 3.8Å; V109-L156 HydrophobicContact CG2-CD1 4.38Å; V109-L156 HydrophobicContact CG2-CD2 4.15Å; A145-L156 HydrophobicContact CB-CD1 3.77Å; A145-L156 HydrophobicContact CB-CD2 3.63Å; A145-L156 HydrophobicContact CB-CG 3.48Å; A145-L156 VanDerWaalsContact CB-CG 3.48Å; F154-L156 HydrophobicContact CD1-CD2 4.24Å; F154-L156 HydrophobicContact CE1-CD2 4.45Å; F154-L156 PolarHBondContact O-N 2.9Å; F154-L156 VanDerWaalsContact O-N 3.13Å; L156-V158 VanDerWaalsContact C-N 3.33Å; L156-I211 HydrophobicContact CB-CD1 4.21Å; L156-I211 HydrophobicContact CB-CG1 4.25Å; L156-I211 HydrophobicContact CB-CG2 4.08Å; L156-I211 HydrophobicContact CD1-CD1 4.41Å; L156-I211 HydrophobicContact CD1-CG1 4.43Å; L156-I211 VanDerWaalsContact O-CG2 3.25Å; L156-I211 WeakPolarHBondContact O-CG2 3.17Å; L156-R234 PolarHBondContact O-NH1 3.2Å
157	T	93.6	Very high	88.1	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.018	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-23.2	179.6	70.7	0	0	0	0	112	D155 G183 L187 I211	D155-T157 VanDerWaalsContact CG-OG1 3.25Å; D155-T157 PolarHBondContact O-N 3.2Å; D155-T157 VanDerWaalsContact OD1-CB 3.24Å; D155-T157 WeakPolarHBondContact OD1-CB 3.22Å; D155-T157 VanDerWaalsContact OD1-CG2 3.25Å; D155-T157 WeakPolarHBondContact OD1-CG2 3.46Å; D155-T157 PolarHBondContact OD1-N 3.45Å; D155-T157 PolarHBondContact OD1-OG1 3.05Å; D155-T157 PolarHBondContact OD2-OG1 3.1Å; T157-G183 VanDerWaalsContact CB-O 3.29Å; T157-G183 WeakPolarHBondContact CB-O 3.11Å; T157-G183 WeakPolarHBondContact O-CA 3.33Å; T157-G183 PolarHBondContact OG1-O 2.92Å; T157-L187 HydrophobicContact CG2-CB 3.92Å; T157-L187 HydrophobicContact CG2-CD1 3.83Å; T157-L187 HydrophobicContact CG2-CG 4.49Å; T157-I211 HydrophobicContact CG2-CG2 3.82Å
158	V	92.6	Very high	87	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.018	23%	0.225	C	C	.	.	S	Bend	trans	-96.9	128.7	-176	-172.8	0	0	0	0	110.7	L156 N162 R163 L171	L156-V158 VanDerWaalsContact C-N 3.33Å; V158-N162 HydrophobicContact CG1-CB 3.67Å; V158-R163 HydrophobicContact CG1-CB 4.27Å; V158-L171 HydrophobicContact CG1-CD2 4.34Å; V158-L171 HydrophobicContact CG2-CD2 3.93Å
159	N	94.7	Very high	85.6	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.027	25%	0.249	C	C	.	.			trans	-69.5	164.1	174.5	64.9	59.2	0	0	0	112.6	Q161 N162 R163 E262 I275	N159-Q161 PolarHBondContact O-N 3.18Å; N159-Q161 PolarHBondContact OD1-N 3.28Å; N159-N162 PolarHBondContact ND2-ND2 2.99Å; N159-N162 VanDerWaalsContact ND2-ND2 3.13Å; N159-N162 PolarHBondContact O-N 3.07Å; N159-N162 VanDerWaalsContact OD1-CB 3.31Å; N159-N162 WeakPolarHBondContact OD1-CB 3.45Å; N159-N162 PolarHBondContact OD1-N 3.43Å; N159-R163 PolarHBondContact O-N 2.92Å; N159-E262 WeakPolarHBondContact CA-OE2 3.36Å; N159-E262 WeakPolarHBondContact CB-OE2 3.37Å; N159-I275 HydrophobicContact CB-CD1 3.68Å; N159-I275 VanDerWaalsContact CG-CD1 3.43Å
160	I	94.7	Very high	84.3	Confident	21 Å²	21	46.3 Å²	46.3	11%	0.108	24%	0.243	C	C	.	.	H	α-helix	trans	-63.1	-42.8	-171.1	-62.7	167.2	0	0	0	111.3	R163 S164 E262 F264 Y266 V271 F392	I160-R163 PolarHBondContact O-N 2.93Å; I160-S164 PolarHBondContact O-N 2.9Å; I160-E262 VanDerWaalsContact CB-OE1 3.23Å; I160-E262 WeakPolarHBondContact CB-OE1 3.15Å; I160-E262 WeakPolarHBondContact CG1-OE1 3.34Å; I160-E262 PolarHBondContact N-OE1 3.41Å; I160-E262 PolarHBondContact N-OE2 2.91Å; I160-F264 HydrophobicContact CD1-CB 3.55Å; I160-F264 HydrophobicContact CD1-CD1 4.28Å; I160-F264 HydrophobicContact CD1-CG 3.9Å; I160-Y266 HydrophobicContact CD1-CE2 4.29Å; I160-V271 HydrophobicContact CD1-CG2 4.06Å; I160-V271 HydrophobicContact CG2-CG1 4.19Å; I160-V271 HydrophobicContact CG2-CG2 4.1Å; I160-F392 HydrophobicContact CG2-CD1 4Å; I160-F392 HydrophobicContact CG2-CE1 3.6Å
161	Q	94.4	Very high	83	Confident	17 Å²	17	44 Å²	44	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-50	178.6	178.6	166.7	-67.3	0	0	111.8	N159 R163 S164 R165 F392 Q403	N159-Q161 PolarHBondContact O-N 3.18Å; N159-Q161 PolarHBondContact OD1-N 3.28Å; Q161-R163 VanDerWaalsContact C-N 3.28Å; Q161-R163 PolarHBondContact O-N 3.14Å; Q161-S164 PolarHBondContact O-N 3.05Å; Q161-R165 PolarHBondContact O-N 3.07Å; Q161-F392 HydrophobicContact CB-CB 4.25Å; Q161-F392 HydrophobicContact CB-CD2 3.6Å; Q161-F392 HydrophobicContact CB-CE2 4.04Å; Q161-F392 HydrophobicContact CB-CG 3.86Å; Q161-F392 HydrophobicContact CG-CD2 3.59Å; Q161-F392 HydrophobicContact CG-CE2 3.99Å; Q161-F392 HydrophobicContact CG-CG 4.31Å; Q161-Q403 PolarHBondContact NE2-O 3.18Å
162	N	90.6	Very high	81.5	Confident	26 Å²	26	47.2 Å²	47.2	14%	0.139	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-34	178.5	-76.2	-17.3	0	0	0	111.9	V158 N159 R165 L166 A182	V158-N162 HydrophobicContact CG1-CB 3.67Å; N159-N162 PolarHBondContact ND2-ND2 2.99Å; N159-N162 VanDerWaalsContact ND2-ND2 3.13Å; N159-N162 PolarHBondContact O-N 3.07Å; N159-N162 VanDerWaalsContact OD1-CB 3.31Å; N159-N162 WeakPolarHBondContact OD1-CB 3.45Å; N159-N162 PolarHBondContact OD1-N 3.43Å; N162-R165 PolarHBondContact O-N 2.91Å; N162-L166 WeakPolarHBondContact O-CB 3.49Å; N162-L166 VanDerWaalsContact O-CG 3.28Å; N162-L166 WeakPolarHBondContact O-CG 3.33Å; N162-L166 PolarHBondContact O-N 3.39Å; N162-A182 HydrophobicContact CB-CB 4.4Å
163	R	88.8	Confident	80	Confident	29 Å²	29	44.2 Å²	44.2	11%	0.109	24%	0.24	C	C	.	.	H	α-helix	trans	-64.7	-46.2	173	170.2	170.8	-80.4	115.1	0.6	112	D155 V158 N159 I160 Q161 R165 L166 G167 D168 L171	D155-R163 PolarHBondContact O-NH1 2.9Å; D155-R163 PolarHBondContact O-NH2 3.37Å; V158-R163 HydrophobicContact CG1-CB 4.27Å; N159-R163 PolarHBondContact O-N 2.92Å; I160-R163 PolarHBondContact O-N 2.93Å; Q161-R163 VanDerWaalsContact C-N 3.28Å; Q161-R163 PolarHBondContact O-N 3.14Å; R163-R165 PolarHBondContact O-N 2.92Å; R163-L166 PolarHBondContact O-N 3.1Å; R163-G167 PolarHBondContact O-N 3.33Å; R163-D168 IonicContact NE-OD1 3.6Å; R163-L171 HydrophobicContact CB-CD1 4.01Å; R163-L171 HydrophobicContact CG-CD1 3.81Å
164	S	88.7	Confident	78.4	Confident	48 Å²	48	44.4 Å²	44.4	34%	0.336	24%	0.242	S	C	.	.	H	α-helix	trans	-60.7	-33.3	178	-162.8	0	0	0	0	112.4	I160 Q161 V399	I160-S164 PolarHBondContact O-N 2.9Å; Q161-S164 PolarHBondContact O-N 3.05Å; S164-V399 WeakPolarHBondContact OG-CG2 3.33Å
165	R	81.2	Confident	77.2	Confident	87 Å²	87	44.7 Å²	44.7	33%	0.328	25%	0.245	S	C	.	.	H	α-helix	trans	-76.3	-43	177.4	173.4	177.6	164.8	171.2	-6.8	113.5	Q161 N162 R163 V1222 S1224	Q161-R165 PolarHBondContact O-N 3.07Å; N162-R165 PolarHBondContact O-N 2.91Å; R163-R165 PolarHBondContact O-N 2.92Å; R165-V1222 PolarHBondContact NH2-O 2.88Å; R165-S1224 PolarHBondContact NH1-O 3.45Å; R165-S1224 PolarHBondContact NH2-O 3.21Å
166	L	77.3	Confident	76.2	Confident	46 Å²	46	44.2 Å²	44.2	24%	0.241	24%	0.242	C	C	.	.	H	α-helix	trans	-79.2	-29.6	-176.4	-69.1	169.7	0	0	0	111.9	N162 R163 L170 L171 A182	N162-L166 WeakPolarHBondContact O-CB 3.49Å; N162-L166 VanDerWaalsContact O-CG 3.28Å; N162-L166 WeakPolarHBondContact O-CG 3.33Å; N162-L166 PolarHBondContact O-N 3.39Å; R163-L166 PolarHBondContact O-N 3.1Å; L166-L170 VanDerWaalsContact O-CB 3.3Å; L166-L170 WeakPolarHBondContact O-CB 3.44Å; L166-L170 WeakPolarHBondContact O-CD1 3.41Å; L166-L171 HydrophobicContact CB-CD2 4.22Å; L166-L171 HydrophobicContact CB-CG 4.08Å; L166-L171 HydrophobicContact CD1-CD2 3.71Å; L166-L171 HydrophobicContact CD1-CG 4.48Å; L166-A182 HydrophobicContact CD1-CB 3.85Å
167	G	73.9	Confident	74.9	Confident	31 Å²	31	44.1 Å²	44.1	32%	0.32	24%	0.242	S	C	.	.			trans	74.3	152	-170.6	0	0	0	0	0	112.4	R163 E169 L171	R163-G167 PolarHBondContact O-N 3.33Å; G167-E169 VanDerWaalsContact C-N 3.33Å; G167-E169 PolarHBondContact O-N 3.3Å; G167-L171 WeakPolarHBondContact O-CG 3.39Å; G167-L171 PolarHBondContact O-N 3.39Å
168	D	66.2	Low	73.5	Confident	92 Å²	92	44.6 Å²	44.6	49%	0.492	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-32.6	-174.8	-76	-30.6	0	0	0	112.6	R163 L171 T172	R163-D168 IonicContact NE-OD1 3.6Å; D168-L171 CarbonylContact O-C 3.39Å; D168-L171 PolarHBondContact O-N 3.06Å; D168-T172 WeakPolarHBondContact O-CG2 3.12Å; D168-T172 PolarHBondContact O-N 2.93Å; D168-T172 VanDerWaalsContact O-N 3.16Å; D168-T172 PolarHBondContact O-OG1 3.07Å
169	E	58.7	Low	72.2	Confident	172 Å²	172	46.1 Å²	46.1	80%	0.804	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-46.6	-179.4	-66.3	-174.8	171.2	0	0	112.3	G167 L171 T172 S173	G167-E169 VanDerWaalsContact C-N 3.33Å; G167-E169 PolarHBondContact O-N 3.3Å; E169-L171 VanDerWaalsContact C-N 3.28Å; E169-L171 PolarHBondContact O-N 3.06Å; E169-T172 PolarHBondContact O-N 2.85Å; E169-T172 PolarHBondContact O-OG1 3.49Å; E169-S173 PolarHBondContact O-N 3.47Å
170	L	57.3	Low	70.8	Confident	118 Å²	118	46.6 Å²	46.6	62%	0.618	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-65.3	-32	176.1	-81.7	148.8	0	0	0	112	L166 T172 S173	L166-L170 VanDerWaalsContact O-CB 3.3Å; L166-L170 WeakPolarHBondContact O-CB 3.44Å; L166-L170 WeakPolarHBondContact O-CD1 3.41Å; L170-T172 PolarHBondContact O-N 3.33Å; L170-S173 VanDerWaalsContact O-CB 3.31Å; L170-S173 WeakPolarHBondContact O-CB 3.41Å; L170-S173 PolarHBondContact O-N 3.42Å
171	L	56.1	Low	69.5	Low	16 Å²	16	47.8 Å²	47.8	8%	0.084	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-72.6	-6.6	171.7	-70.8	175.9	0	0	0	113.9	V158 R163 L166 G167 D168 E169 R179	V158-L171 HydrophobicContact CG1-CD2 4.34Å; V158-L171 HydrophobicContact CG2-CD2 3.93Å; R163-L171 HydrophobicContact CB-CD1 4.01Å; R163-L171 HydrophobicContact CG-CD1 3.81Å; L166-L171 HydrophobicContact CB-CD2 4.22Å; L166-L171 HydrophobicContact CB-CG 4.08Å; L166-L171 HydrophobicContact CD1-CD2 3.71Å; L166-L171 HydrophobicContact CD1-CG 4.48Å; G167-L171 WeakPolarHBondContact O-CG 3.39Å; G167-L171 PolarHBondContact O-N 3.39Å; D168-L171 CarbonylContact O-C 3.39Å; D168-L171 PolarHBondContact O-N 3.06Å; E169-L171 VanDerWaalsContact C-N 3.28Å; E169-L171 PolarHBondContact O-N 3.06Å; L171-R179 PolarHBondContact O-NH1 2.62Å; L171-R179 PolarHBondContact O-NH2 3.22Å
172	T	53.8	Low	68.7	Low	82 Å²	82	48.6 Å²	48.6	50%	0.503	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-107.4	-1.7	172.8	59.7	0	0	0	0	113.5	D168 E169 L170 R179	D168-T172 WeakPolarHBondContact O-CG2 3.12Å; D168-T172 PolarHBondContact O-N 2.93Å; D168-T172 VanDerWaalsContact O-N 3.16Å; D168-T172 PolarHBondContact O-OG1 3.07Å; E169-T172 PolarHBondContact O-N 2.85Å; E169-T172 PolarHBondContact O-OG1 3.49Å; L170-T172 PolarHBondContact O-N 3.33Å; T172-R179 VanDerWaalsContact CA-NH2 3.34Å; T172-R179 PolarHBondContact O-NH2 3.06Å
173	S	53.4	Low	68.5	Low	49 Å²	49	47.7 Å²	47.7	34%	0.343	27%	0.269	S	S	.	.			trans	-46.9	141.9	178.2	176.7	0	0	0	0	113.5	E169 L170 D175 R179	E169-S173 PolarHBondContact O-N 3.47Å; L170-S173 VanDerWaalsContact O-CB 3.31Å; L170-S173 WeakPolarHBondContact O-CB 3.41Å; L170-S173 PolarHBondContact O-N 3.42Å; S173-D175 VanDerWaalsContact C-N 3.29Å; S173-D175 PolarHBondContact O-N 2.8Å; S173-D175 VanDerWaalsContact O-N 3.12Å; S173-R179 PolarHBondContact O-NE 2.83Å; S173-R179 PolarHBondContact O-NH2 2.81Å
174	S	56.4	Low	68.4	Low	45 Å²	45	47 Å²	47	32%	0.315	27%	0.267	S	S	.	.	S	Bend	trans	-62.2	-22.3	-161.5	58	0	0	0	0	116.5	N202	S174-N202 PolarHBondContact O-OD1 3.43Å
175	D	64.7	Low	68.5	Low	25 Å²	25	45.8 Å²	45.8	13%	0.134	26%	0.258	C	S	.	.			trans	-127.2	106.6	-178.3	-172.7	-7.9	0	0	0	112	S173 Y177 T178 R179	S173-D175 VanDerWaalsContact C-N 3.29Å; S173-D175 PolarHBondContact O-N 2.8Å; S173-D175 VanDerWaalsContact O-N 3.12Å; D175-Y177 PolarHBondContact O-N 2.97Å; D175-Y177 VanDerWaalsContact O-N 3.15Å; D175-Y177 WeakPolarHBondContact OD1-CB 3.48Å; D175-Y177 PolarHBondContact OD1-N 3.03Å; D175-T178 HydrophobicContact CB-CG2 4Å; D175-T178 PolarHBondContact O-N 2.99Å; D175-T178 PolarHBondContact O-OG1 3.15Å; D175-T178 WeakPolarHBondContact OD2-CG2 3.4Å; D175-R179 PolarHBondContact O-N 2.86Å
176	I	68.4	Low	69.2	Low	9 Å²	9	41.9 Å²	41.9	5%	0.046	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.9	178.3	-63.3	172.1	0	0	0	111.9	L184 L187 M193 P203	I176-L184 HydrophobicContact CG2-CD1 4.08Å; I176-L187 HydrophobicContact CG2-CD2 3.85Å; I176-M193 HydrophobicContact CD1-CE 4.08Å; I176-M193 HydrophobicContact CD1-SD 3.32Å; I176-M193 WeakPolarHBondContact CD1-SD 2.9Å; I176-P203 HydrophobicContact CD1-CB 3.92Å; I176-P203 HydrophobicContact CD1-CG 4.12Å
177	Y	67.3	Low	69.9	Low	3 Å²	3	40 Å²	40	1%	0.012	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-16.4	178.6	-62.3	-81.9	0	0	0	113.5	D175 K190 I197 R532 H535	D175-Y177 PolarHBondContact O-N 2.97Å; D175-Y177 VanDerWaalsContact O-N 3.15Å; D175-Y177 WeakPolarHBondContact OD1-CB 3.48Å; D175-Y177 PolarHBondContact OD1-N 3.03Å; Y177-K190 HydrophobicContact CE1-CD 4.26Å; Y177-K190 HydrophobicContact CE1-CG 4.2Å; Y177-K190 PolarHBondContact OH-O 2.98Å; Y177-I197 HydrophobicContact CD2-CD1 3.57Å; Y177-I197 HydrophobicContact CD2-CG2 4.29Å; Y177-I197 HydrophobicContact CE2-CD1 3.26Å; Y177-I197 HydrophobicContact CE2-CG1 4.48Å; Y177-I197 HydrophobicContact CE2-CG2 4.42Å; Y177-R532 HydrophobicContact CD1-CG 4.25Å; Y177-R532 WeakPolarHBondContact O-CD 3.44Å; Y177-R532 PolarHBondContact O-NH1 2.69Å; Y177-H535 AromaticContact CD1-CE1 3.75Å; Y177-H535 AromaticContact CD1-CG 3.98Å; Y177-H535 AromaticContact CD1-ND1 3.53Å; Y177-H535 AromaticContact CD2-CD2 3.37Å; Y177-H535 WeakPolarHBondContact CD2-CD2 3.2Å; Y177-H535 AromaticContact CD2-CE1 3.61Å; Y177-H535 AromaticContact CD2-CG 3.71Å; Y177-H535 AromaticContact CD2-ND1 3.83Å; Y177-H535 AromaticContact CD2-NE2 3.32Å; Y177-H535 VanDerWaalsContact CD2-NE2 3.32Å; Y177-H535 WeakPolarHBondContact CD2-NE2 3.31Å; Y177-H535 HydrophobicContact CE1-CB 3.98Å; Y177-H535 AromaticContact CE1-CG 3.74Å; Y177-H535 AromaticContact CE1-ND1 3.67Å; Y177-H535 HydrophobicContact CE2-CB 3.94Å; Y177-H535 AromaticContact CE2-CD2 3.36Å; Y177-H535 WeakPolarHBondContact CE2-CD2 3.02Å; Y177-H535 AromaticContact CE2-CG 3.48Å; Y177-H535 VanDerWaalsContact CE2-CG 3.48Å; Y177-H535 AromaticContact CE2-ND1 3.99Å; Y177-H535 AromaticContact CE2-NE2 3.86Å; Y177-H535 AromaticContact CG-CD2 3.95Å; Y177-H535 AromaticContact CG-CE1 3.39Å; Y177-H535 AromaticContact CG-CG 3.98Å; Y177-H535 AromaticContact CG-ND1 3.62Å; Y177-H535 AromaticContact CG-NE2 3.61Å; Y177-H535 AromaticContact CZ-CD2 3.95Å; Y177-H535 AromaticContact CZ-CG 3.55Å; Y177-H535 AromaticContact CZ-ND1 3.97Å
178	T	64	Low	70.9	Confident	13 Å²	13	38.5 Å²	38.5	8%	0.08	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-8	173.5	66	0	0	0	0	113.4	D175 L1046 I1049	D175-T178 HydrophobicContact CB-CG2 4Å; D175-T178 PolarHBondContact O-N 2.99Å; D175-T178 PolarHBondContact O-OG1 3.15Å; D175-T178 WeakPolarHBondContact OD2-CG2 3.4Å; T178-L1046 HydrophobicContact CG2-CB 4.46Å; T178-I1049 WeakPolarHBondContact O-CD1 3.24Å
179	R	66.5	Low	72.3	Confident	34 Å²	34	34.1 Å²	34.1	13%	0.128	19%	0.194	C	C	.	.	S	Bend	trans	-70.1	156.8	174.7	-63.6	-176.3	-173.2	179.5	-0.5	111.4	L171 T172 S173 D175 S204 R532	L171-R179 PolarHBondContact O-NH1 2.62Å; L171-R179 PolarHBondContact O-NH2 3.22Å; T172-R179 VanDerWaalsContact CA-NH2 3.34Å; T172-R179 PolarHBondContact O-NH2 3.06Å; S173-R179 PolarHBondContact O-NE 2.83Å; S173-R179 PolarHBondContact O-NH2 2.81Å; D175-R179 PolarHBondContact O-N 2.86Å; R179-S204 PolarHBondContact NH2-OG 2.61Å; R179-R532 PolarHBondContact O-NH1 2.82Å; R179-R532 VanDerWaalsContact O-NH1 3.17Å
180	G	63.5	Low	73.8	Confident	16 Å²	16	27 Å²	27	17%	0.165	16%	0.161	C	C	.	.			trans	-60.5	163.8	168.3	0	0	0	0	0	111.8	A182	G180-A182 PolarHBondContact O-N 3.24Å
181	D	68.3	Low	75.2	Confident	46 Å²	46	22 Å²	22	25%	0.246	14%	0.138	C	C	.	.	S	Bend	trans	-70.4	-6.4	-169.9	-57.6	-22.8	0	0	0	114.1	G183 L184 R532	D181-G183 PolarHBondContact O-N 2.73Å; D181-G183 VanDerWaalsContact O-N 3.13Å; D181-L184 PolarHBondContact O-N 2.71Å; D181-L184 VanDerWaalsContact O-N 3.09Å; D181-R532 IonicContact OD1-CZ 3.67Å; D181-R532 IonicContact OD1-NH2 3.8Å; D181-R532 PolarHBondContact OD1-NH2 2.78Å
182	A	77.9	Confident	77	Confident	33 Å²	33	21.5 Å²	21.5	27%	0.273	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	117.5	179	0	0	0	0	0	110.8	N162 L166 G180 L184	N162-A182 HydrophobicContact CB-CB 4.4Å; L166-A182 HydrophobicContact CD1-CB 3.85Å; G180-A182 PolarHBondContact O-N 3.24Å; A182-L184 PolarHBondContact O-N 3.03Å; A182-L184 VanDerWaalsContact O-N 3.15Å
183	G	86.9	Confident	78.7	Confident	8 Å²	8	17.7 Å²	17.7	8%	0.082	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	-19	179.8	0	0	0	0	0	115.6	T157 D181 N185 F186 L187	T157-G183 VanDerWaalsContact CB-O 3.29Å; T157-G183 WeakPolarHBondContact CB-O 3.11Å; T157-G183 WeakPolarHBondContact O-CA 3.33Å; T157-G183 PolarHBondContact OG1-O 2.92Å; D181-G183 PolarHBondContact O-N 2.73Å; D181-G183 VanDerWaalsContact O-N 3.13Å; G183-N185 PolarHBondContact O-N 2.83Å; G183-N185 VanDerWaalsContact O-N 3.13Å; G183-F186 CarbonylContact O-C 3.53Å; G183-F186 WeakPolarHBondContact O-CA 3.11Å; G183-F186 PolarHBondContact O-N 3.36Å; G183-L187 PolarHBondContact O-N 2.9Å
184	L	86.9	Confident	80.4	Confident	13 Å²	13	15.5 Å²	15.5	7%	0.068	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-60.2	-34.2	-173.8	-168.1	63.3	0	0	0	113	I176 D181 A182 F186 L187 K190	I176-L184 HydrophobicContact CG2-CD1 4.08Å; D181-L184 PolarHBondContact O-N 2.71Å; D181-L184 VanDerWaalsContact O-N 3.09Å; A182-L184 PolarHBondContact O-N 3.03Å; A182-L184 VanDerWaalsContact O-N 3.15Å; L184-F186 PolarHBondContact O-N 2.9Å; L184-L187 HydrophobicContact CD1-CD2 4.49Å; L184-L187 PolarHBondContact O-N 2.9Å; L184-K190 HydrophobicContact CD1-CD 3.78Å; L184-K190 HydrophobicContact CG-CD 4.43Å
185	N	90.4	Very high	81.9	Confident	24 Å²	24	14 Å²	14	13%	0.128	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-67.4	-15.2	175.9	-67.5	-27.9	0	0	0	113.5	G183 S236 A237 Q238 Q320	G183-N185 PolarHBondContact O-N 2.83Å; G183-N185 VanDerWaalsContact O-N 3.13Å; N185-S236 CarbonylContact O-C 3.48Å; N185-S236 WeakPolarHBondContact O-CA 3.49Å; N185-S236 PolarHBondContact O-OG 3.1Å; N185-A237 PolarHBondContact O-N 2.78Å; N185-Q238 HydrophobicContact CB-CG 4.15Å; N185-Q238 PolarHBondContact OD1-NE2 2.93Å; N185-Q320 PolarHBondContact ND2-NE2 2.81Å; N185-Q320 PolarHBondContact ND2-OE1 3.14Å
186	F	94.7	Very high	83.2	Confident	5 Å²	5	12.8 Å²	12.8	2%	0.022	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-112.2	2.4	-177.3	-53.5	-68.2	0	0	0	113.1	G183 L184 W188 R234 F258 E260	G183-F186 CarbonylContact O-C 3.53Å; G183-F186 WeakPolarHBondContact O-CA 3.11Å; G183-F186 PolarHBondContact O-N 3.36Å; L184-F186 PolarHBondContact O-N 2.9Å; F186-W188 PolarHBondContact O-N 3.41Å; F186-R234 HydrophobicContact CB-CB 4.02Å; F186-R234 HydrophobicContact CD1-CB 3.55Å; F186-R234 WeakPolarHBondContact CD1-O 3.48Å; F186-R234 HydrophobicContact CD2-CB 4.43Å; F186-R234 HydrophobicContact CE1-CB 4.1Å; F186-R234 VanDerWaalsContact CE1-O 3.28Å; F186-R234 WeakPolarHBondContact CE1-O 3.36Å; F186-R234 HydrophobicContact CG-CB 3.74Å; F186-F258 HydrophobicContact CE1-CD1 4.26Å; F186-F258 HydrophobicContact CE1-CE1 4.28Å; F186-F258 HydrophobicContact CZ-CD1 4.49Å; F186-F258 HydrophobicContact CZ-CE1 4.06Å; F186-E260 HydrophobicContact CE1-CB 3.88Å; F186-E260 HydrophobicContact CE2-CB 4.2Å; F186-E260 HydrophobicContact CZ-CB 3.5Å; F186-E260 HydrophobicContact CZ-CG 4.41Å
187	L	93.7	Very high	84	Confident	5 Å²	5	13 Å²	13	3%	0.026	8%	0.08	C	C	.	.			trans	-84.1	101.2	178.2	-176.3	61.8	0	0	0	111.2	T157 I176 G183 L184 N189 K190 M193	T157-L187 HydrophobicContact CG2-CB 3.92Å; T157-L187 HydrophobicContact CG2-CD1 3.83Å; T157-L187 HydrophobicContact CG2-CG 4.49Å; I176-L187 HydrophobicContact CG2-CD2 3.85Å; G183-L187 PolarHBondContact O-N 2.9Å; L184-L187 HydrophobicContact CD1-CD2 4.49Å; L184-L187 PolarHBondContact O-N 2.9Å; L187-N189 VanDerWaalsContact CD1-OD1 3.32Å; L187-N189 WeakPolarHBondContact CD1-OD1 3.33Å; L187-K190 HydrophobicContact CB-CB 4.42Å; L187-K190 HydrophobicContact CD2-CB 3.88Å; L187-K190 HydrophobicContact CD2-CG 4.25Å; L187-K190 HydrophobicContact CG-CB 3.93Å; L187-M193 HydrophobicContact CD1-CE 4.03Å; L187-M193 HydrophobicContact CD2-CE 4.36Å; L187-M193 HydrophobicContact CD2-SD 3.93Å
188	W	94.8	Very high	84.9	Confident	1 Å²	1	15.4 Å²	15.4	0%	0.004	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-22.3	-171.8	-86.7	72.3	0	0	0	115.1	F142 F186 I210 C212 V235 A237 P240 M508 L511 L512	F142-W188 HydrophobicContact CD1-CB 4.37Å; F142-W188 HydrophobicContact CE1-CB 3.91Å; F142-W188 AromaticContact CE1-CD2 3.84Å; F142-W188 HydrophobicContact CE1-CD2 3.84Å; F142-W188 AromaticContact CE1-CE3 3.6Å; F142-W188 HydrophobicContact CE1-CE3 3.6Å; F142-W188 AromaticContact CE1-CG 3.99Å; F142-W188 HydrophobicContact CE1-CG 3.99Å; F142-W188 HydrophobicContact CE1-CZ3 4.36Å; F142-W188 HydrophobicContact CZ-CD2 4.45Å; F142-W188 AromaticContact CZ-CE3 3.83Å; F142-W188 HydrophobicContact CZ-CE3 3.83Å; F142-W188 HydrophobicContact CZ-CZ3 4.17Å; F186-W188 PolarHBondContact O-N 3.41Å; W188-I210 HydrophobicContact CB-CD1 4.37Å; W188-I210 HydrophobicContact CB-CG1 3.89Å; W188-I210 PolarHBondContact N-O 3.22Å; W188-C212 HydrophobicContact CD2-CB 3.54Å; W188-C212 HydrophobicContact CE3-CB 4.21Å; W188-C212 HydrophobicContact CG-CB 3.82Å; W188-C212 HydrophobicContact CH2-CB 4.27Å; W188-C212 HydrophobicContact CZ2-CB 3.64Å; W188-C212 VanDerWaalsContact NE1-CB 3.34Å; W188-V235 HydrophobicContact CZ2-CB 4.37Å; W188-V235 HydrophobicContact CZ2-CG1 4.13Å; W188-V235 PolarHBondContact NE1-O 3.28Å; W188-A237 HydrophobicContact CD2-CB 4.44Å; W188-A237 HydrophobicContact CG-CB 4.39Å; W188-P240 HydrophobicContact CH2-CB 3.62Å; W188-P240 HydrophobicContact CH2-CG 4.36Å; W188-P240 HydrophobicContact CZ2-CB 4.08Å; W188-P240 HydrophobicContact CZ3-CB 4.43Å; W188-M508 HydrophobicContact CH2-CE 4.45Å; W188-M508 HydrophobicContact CH2-SD 4.46Å; W188-M508 HydrophobicContact CZ3-CG 4.16Å; W188-L511 HydrophobicContact CE3-CD2 3.98Å; W188-L511 WeakPolarHBondContact O-CG 3.44Å; W188-L512 HydrophobicContact CE3-CD1 4.38Å; W188-L512 HydrophobicContact CE3-CD2 4.4Å; W188-L512 HydrophobicContact CZ3-CD1 4.3Å; W188-L512 WeakPolarHBondContact O-CD2 3.5Å
189	N	94.3	Very high	86	Confident	0 Å²	0	16 Å²	16	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	16.2	176.1	63.4	-32.6	0	0	0	113.6	L70 L187 G191 L192 M193 V208 I210	L70-N189 PolarHBondContact O-ND2 2.68Å; L187-N189 VanDerWaalsContact CD1-OD1 3.32Å; L187-N189 WeakPolarHBondContact CD1-OD1 3.33Å; N189-G191 PolarHBondContact O-N 3.26Å; N189-G191 VanDerWaalsContact O-N 3.17Å; N189-L192 HydrophobicContact CB-CB 4.43Å; N189-L192 HydrophobicContact CB-CD1 4.07Å; N189-L192 HydrophobicContact CB-CG 4.34Å; N189-L192 WeakPolarHBondContact O-CB 3.18Å; N189-L192 PolarHBondContact O-N 3.24Å; N189-M193 PolarHBondContact O-N 3.19Å; N189-V208 PolarHBondContact ND2-O 3Å; N189-I210 HydrophobicContact CB-CD1 3.75Å; N189-I210 HydrophobicContact CB-CG1 3.84Å; N189-I210 PolarHBondContact OD1-N 3.04Å; N189-I210 VanDerWaalsContact OD1-N 3.15Å
190	K	89.8	Confident	86.8	Confident	22 Å²	22	16.2 Å²	16.2	10%	0.096	11%	0.109	C	C	.	.	H	α-helix	trans	-50	-41.5	178.2	-177.9	174.3	173	175.8	0	112.8	Y177 L184 L187 L192 M193	Y177-K190 HydrophobicContact CE1-CD 4.26Å; Y177-K190 HydrophobicContact CE1-CG 4.2Å; Y177-K190 PolarHBondContact OH-O 2.98Å; L184-K190 HydrophobicContact CD1-CD 3.78Å; L184-K190 HydrophobicContact CG-CD 4.43Å; L187-K190 HydrophobicContact CB-CB 4.42Å; L187-K190 HydrophobicContact CD2-CB 3.88Å; L187-K190 HydrophobicContact CD2-CG 4.25Å; L187-K190 HydrophobicContact CG-CB 3.93Å; K190-L192 VanDerWaalsContact C-N 3.29Å; K190-L192 PolarHBondContact O-N 3.28Å; K190-M193 WeakPolarHBondContact O-CB 3.36Å; K190-M193 PolarHBondContact O-N 3.44Å
191	G	88.1	Confident	88	Confident	14 Å²	14	16.3 Å²	16.3	14%	0.144	11%	0.105	C	C	.	.	H	α-helix	trans	-64.4	-32.4	178.6	0	0	0	0	0	113.8	N189 M193 G194 S513 N514	N189-G191 PolarHBondContact O-N 3.26Å; N189-G191 VanDerWaalsContact O-N 3.17Å; G191-M193 VanDerWaalsContact C-N 3.28Å; G191-M193 PolarHBondContact O-N 3.44Å; G191-G194 PolarHBondContact O-N 2.81Å; G191-S513 WeakPolarHBondContact CA-O 3.37Å; G191-N514 WeakPolarHBondContact CA-OD1 3.5Å; G191-N514 PolarHBondContact N-OD1 3.12Å
192	L	92.7	Very high	88.8	Confident	4 Å²	4	15.3 Å²	15.3	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-75.6	-16.8	178.8	-52.4	-175.9	0	0	0	112.9	L70 G71 V72 L73 V93 N189 K190 L511	L70-L192 HydrophobicContact CB-CD1 4.26Å; G71-L192 WeakPolarHBondContact CA-O 3.43Å; V72-L192 PolarHBondContact N-O 2.82Å; V72-L192 WeakPolarHBondContact O-CA 3.34Å; L73-L192 HydrophobicContact CB-CD2 3.95Å; L73-L192 HydrophobicContact CD1-CD2 3.92Å; V93-L192 HydrophobicContact CB-CD1 4.25Å; V93-L192 HydrophobicContact CG1-CD1 4.4Å; V93-L192 HydrophobicContact CG2-CD1 4.16Å; N189-L192 HydrophobicContact CB-CB 4.43Å; N189-L192 HydrophobicContact CB-CD1 4.07Å; N189-L192 HydrophobicContact CB-CG 4.34Å; N189-L192 WeakPolarHBondContact O-CB 3.18Å; N189-L192 PolarHBondContact O-N 3.24Å; K190-L192 VanDerWaalsContact C-N 3.29Å; K190-L192 PolarHBondContact O-N 3.28Å; L192-L511 HydrophobicContact CD1-CD1 3.79Å; L192-L511 HydrophobicContact CD2-CD1 4.37Å; L192-L511 HydrophobicContact CG-CD1 4.03Å
193	M	91	Very high	89.3	Confident	3 Å²	3	13.8 Å²	13.8	2%	0.015	9%	0.087	C	C	.	.	H	α-helix	trans	-82.1	-19.4	179.3	-61.4	174.3	163.8	0	0	112.6	I176 L187 N189 K190 G191 L196 I197 P203 L207	I176-M193 HydrophobicContact CD1-CE 4.08Å; I176-M193 HydrophobicContact CD1-SD 3.32Å; I176-M193 WeakPolarHBondContact CD1-SD 2.9Å; L187-M193 HydrophobicContact CD1-CE 4.03Å; L187-M193 HydrophobicContact CD2-CE 4.36Å; L187-M193 HydrophobicContact CD2-SD 3.93Å; N189-M193 PolarHBondContact O-N 3.19Å; K190-M193 WeakPolarHBondContact O-CB 3.36Å; K190-M193 PolarHBondContact O-N 3.44Å; G191-M193 VanDerWaalsContact C-N 3.28Å; G191-M193 PolarHBondContact O-N 3.44Å; M193-L196 PolarHBondContact O-N 2.9Å; M193-I197 HydrophobicContact CB-CD1 4.35Å; M193-I197 PolarHBondContact O-N 2.91Å; M193-P203 HydrophobicContact CB-CB 4.19Å; M193-P203 HydrophobicContact CB-CG 4.05Å; M193-P203 HydrophobicContact CG-CB 4.18Å; M193-P203 HydrophobicContact SD-CB 4.34Å; M193-L207 HydrophobicContact CB-CD1 4.31Å; M193-L207 HydrophobicContact CG-CD1 3.84Å
194	G	87.8	Confident	89.2	Confident	2 Å²	2	14.7 Å²	14.7	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-53.9	-44.7	-174.2	0	0	0	0	0	115.1	G191 L196 I197 R198	G191-G194 PolarHBondContact O-N 2.81Å; G194-L196 PolarHBondContact O-N 3.22Å; G194-I197 PolarHBondContact O-N 2.86Å; G194-R198 PolarHBondContact O-N 3.34Å
195	P	89.1	Confident	89.1	Confident	13 Å²	13	17.5 Å²	17.5	8%	0.084	11%	0.107	C	C	.	.	H	α-helix	trans	-59.2	-40	178.5	-29.1	38.9	0	0	0	114.5	I45 V72 V74 A199	I45-P195 HydrophobicContact CD1-CB 3.65Å; V72-P195 HydrophobicContact CB-CB 3.95Å; V72-P195 HydrophobicContact CB-CG 3.79Å; V72-P195 HydrophobicContact CG1-CB 4.08Å; V72-P195 HydrophobicContact CG1-CG 3.91Å; V72-P195 HydrophobicContact CG2-CB 4.44Å; V74-P195 HydrophobicContact CG2-CG 3.99Å; P195-A199 PolarHBondContact O-N 3.01Å
196	L	90.6	Very high	89.2	Confident	1 Å²	1	16.7 Å²	16.7	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-67.1	-42.9	177.2	-90.5	64.7	0	0	0	111.2	L38 I45 V72 M193 G194 R198 A199 G200 I201 P203 W206 L207	L38-L196 HydrophobicContact CD1-CD2 4.04Å; L38-L196 HydrophobicContact CD1-CG 4.39Å; I45-L196 HydrophobicContact CD1-CD1 4.19Å; I45-L196 HydrophobicContact CG2-CD1 4.49Å; V72-L196 HydrophobicContact CG2-CD1 3.86Å; M193-L196 PolarHBondContact O-N 2.9Å; G194-L196 PolarHBondContact O-N 3.22Å; L196-R198 VanDerWaalsContact C-N 3.32Å; L196-R198 PolarHBondContact O-N 3.15Å; L196-A199 CarbonylContact O-C 3.37Å; L196-A199 WeakPolarHBondContact O-CA 3.48Å; L196-A199 WeakPolarHBondContact O-CB 3.44Å; L196-A199 PolarHBondContact O-N 2.9Å; L196-G200 PolarHBondContact O-N 3.47Å; L196-I201 CarbonylContact C-O 3.54Å; L196-I201 HydrophobicContact CB-CB 4.15Å; L196-I201 HydrophobicContact CB-CG2 4.29Å; L196-I201 HydrophobicContact CD2-CG2 3.98Å; L196-I201 HydrophobicContact CG-CB 4.26Å; L196-I201 HydrophobicContact CG-CG2 4.03Å; L196-I201 PolarHBondContact O-N 3.24Å; L196-P203 HydrophobicContact CB-CG 4.45Å; L196-W206 HydrophobicContact CD2-CB 4.01Å; L196-W206 HydrophobicContact CD2-CG 4.44Å; L196-L207 HydrophobicContact CD2-CD1 3.91Å; L196-L207 HydrophobicContact CD2-CD2 4.22Å; L196-L207 HydrophobicContact CD2-CG 3.88Å
197	I	86.9	Confident	89.1	Confident	13 Å²	13	16.6 Å²	16.6	7%	0.067	10%	0.102	C	C	.	.	H	α-helix	trans	-62	-41.9	179.7	-69.4	169.5	0	0	0	110.9	Y177 M193 G194 A199 G200 P203	Y177-I197 HydrophobicContact CD2-CD1 3.57Å; Y177-I197 HydrophobicContact CD2-CG2 4.29Å; Y177-I197 HydrophobicContact CE2-CD1 3.26Å; Y177-I197 HydrophobicContact CE2-CG1 4.48Å; Y177-I197 HydrophobicContact CE2-CG2 4.42Å; M193-I197 HydrophobicContact CB-CD1 4.35Å; M193-I197 PolarHBondContact O-N 2.91Å; G194-I197 PolarHBondContact O-N 2.86Å; I197-A199 VanDerWaalsContact C-N 3.25Å; I197-A199 PolarHBondContact O-N 3.41Å; I197-G200 PolarHBondContact O-N 2.95Å; I197-P203 HydrophobicContact CD1-CG 3.66Å; I197-P203 HydrophobicContact CG1-CG 3.41Å; I197-P203 VanDerWaalsContact CG1-CG 3.41Å
198	R	85.7	Confident	89.1	Confident	53 Å²	53	16.6 Å²	16.6	20%	0.2	10%	0.102	C	C	.	.	H	α-helix	trans	-65.2	-29	174.7	-71.3	-169.9	-63.9	-86.9	3.6	113.2	G194 L196 G200 H535 T537 I928	G194-R198 PolarHBondContact O-N 3.34Å; L196-R198 VanDerWaalsContact C-N 3.32Å; L196-R198 PolarHBondContact O-N 3.15Å; R198-G200 PolarHBondContact O-N 3.05Å; R198-H535 WeakPolarHBondContact CD-O 3.38Å; R198-H535 WeakPolarHBondContact CG-O 3.5Å; R198-H535 PolarHBondContact NH1-O 3.48Å; R198-H535 VanDerWaalsContact NH1-O 3.13Å; R198-T537 HydrophobicContact CB-CG2 4.21Å; R198-T537 HydrophobicContact CG-CG2 4.13Å; R198-I928 HydrophobicContact CG-CD1 4.49Å
199	A	86.8	Confident	89.1	Confident	27 Å²	27	17.1 Å²	17.1	22%	0.223	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	2.4	172.8	0	0	0	0	0	113.3	I45 P195 L196 I197 I201	I45-A199 HydrophobicContact CB-CB 3.89Å; I45-A199 WeakPolarHBondContact O-CB 3.25Å; P195-A199 PolarHBondContact O-N 3.01Å; L196-A199 CarbonylContact O-C 3.37Å; L196-A199 WeakPolarHBondContact O-CA 3.48Å; L196-A199 WeakPolarHBondContact O-CB 3.44Å; L196-A199 PolarHBondContact O-N 2.9Å; I197-A199 VanDerWaalsContact C-N 3.25Å; I197-A199 PolarHBondContact O-N 3.41Å; A199-I201 HydrophobicContact CB-CD1 3.91Å; A199-I201 HydrophobicContact CB-CG1 4.3Å; A199-I201 PolarHBondContact O-N 3.16Å
200	G	83.5	Confident	89.2	Confident	38 Å²	38	17.1 Å²	17.1	39%	0.392	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	15.9	-176.3	0	0	0	0	0	114.2	L196 I197 R198	L196-G200 PolarHBondContact O-N 3.47Å; I197-G200 PolarHBondContact O-N 2.95Å; R198-G200 PolarHBondContact O-N 3.05Å
201	I	87.7	Confident	89.5	Confident	18 Å²	18	16.1 Å²	16.1	9%	0.092	10%	0.102	C	C	.	.			trans	-95.9	127.7	179.4	-64.6	161.1	0	0	0	108.9	L38 I45 L196 A199 P203 W206	L38-I201 HydrophobicContact CD2-CD1 3.72Å; L38-I201 HydrophobicContact CD2-CG1 4.41Å; L38-I201 HydrophobicContact CD2-CG2 4.11Å; I45-I201 HydrophobicContact CB-CD1 4.18Å; I45-I201 HydrophobicContact CG2-CD1 3.55Å; L196-I201 CarbonylContact C-O 3.54Å; L196-I201 HydrophobicContact CB-CB 4.15Å; L196-I201 HydrophobicContact CB-CG2 4.29Å; L196-I201 HydrophobicContact CD2-CG2 3.98Å; L196-I201 HydrophobicContact CG-CB 4.26Å; L196-I201 HydrophobicContact CG-CG2 4.03Å; L196-I201 PolarHBondContact O-N 3.24Å; A199-I201 HydrophobicContact CB-CD1 3.91Å; A199-I201 HydrophobicContact CB-CG1 4.3Å; A199-I201 PolarHBondContact O-N 3.16Å; I201-P203 WeakPolarHBondContact O-CD 3.28Å; I201-W206 VanDerWaalsContact CG2-CD1 3.5Å
202	N	85.2	Confident	89.9	Confident	25 Å²	25	15.6 Å²	15.6	13%	0.134	10%	0.096	C	C	.	.			trans	-67.3	117.8	174.6	178.5	7.7	0	0	0	110.4	S174 S204 D205	S174-N202 PolarHBondContact O-OD1 3.43Å; N202-S204 PolarHBondContact O-N 3.11Å; N202-S204 WeakPolarHBondContact OD1-CB 2.97Å; N202-S204 PolarHBondContact OD1-N 3.42Å; N202-S204 PolarHBondContact OD1-OG 2.99Å; N202-D205 WeakPolarHBondContact CB-OD2 3.36Å; N202-D205 PolarHBondContact O-N 3.19Å
203	P	89	Confident	89.9	Confident	1 Å²	1	15.4 Å²	15.4	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-58.3	-31.8	177	-29.1	39.3	0	0	0	113.9	I176 M193 L196 I197 I201 D205 W206 L207	I176-P203 HydrophobicContact CD1-CB 3.92Å; I176-P203 HydrophobicContact CD1-CG 4.12Å; M193-P203 HydrophobicContact CB-CB 4.19Å; M193-P203 HydrophobicContact CB-CG 4.05Å; M193-P203 HydrophobicContact CG-CB 4.18Å; M193-P203 HydrophobicContact SD-CB 4.34Å; L196-P203 HydrophobicContact CB-CG 4.45Å; I197-P203 HydrophobicContact CD1-CG 3.66Å; I197-P203 HydrophobicContact CG1-CG 3.41Å; I197-P203 VanDerWaalsContact CG1-CG 3.41Å; I201-P203 WeakPolarHBondContact O-CD 3.28Å; P203-D205 PolarHBondContact O-N 3.16Å; P203-D205 VanDerWaalsContact O-N 3.16Å; P203-W206 PolarHBondContact O-N 3.17Å; P203-L207 HydrophobicContact CB-CD1 4.13Å; P203-L207 HydrophobicContact CB-CG 4.42Å; P203-L207 WeakPolarHBondContact O-CA 3.34Å; P203-L207 WeakPolarHBondContact O-CB 3.26Å; P203-L207 PolarHBondContact O-N 2.87Å
204	S	84.7	Confident	90	Very high	26 Å²	26	15.3 Å²	15.3	18%	0.182	9%	0.094	C	C	.	.	H	α-helix	trans	-65.6	-20.1	-173.9	-47.5	0	0	0	0	113	P153 R179 N202	P153-S204 WeakPolarHBondContact CG-O 3.42Å; R179-S204 PolarHBondContact NH2-OG 2.61Å; N202-S204 PolarHBondContact O-N 3.11Å; N202-S204 WeakPolarHBondContact OD1-CB 2.97Å; N202-S204 PolarHBondContact OD1-N 3.42Å; N202-S204 PolarHBondContact OD1-OG 2.99Å
205	D	85.6	Confident	90.4	Very high	72 Å²	72	15.3 Å²	15.3	39%	0.385	9%	0.094	S	C	.	.	H	α-helix	trans	-79.8	-27.2	177.4	-60.6	-29.5	0	0	0	111.6	N31 V34 N202 P203	N31-D205 PolarHBondContact ND2-O 2.97Å; V34-D205 HydrophobicContact CG2-CB 4.33Å; V34-D205 WeakPolarHBondContact CG2-O 3.44Å; N202-D205 WeakPolarHBondContact CB-OD2 3.36Å; N202-D205 PolarHBondContact O-N 3.19Å; P203-D205 PolarHBondContact O-N 3.16Å; P203-D205 VanDerWaalsContact O-N 3.16Å
206	W	91.2	Very high	90.8	Very high	7 Å²	7	16.2 Å²	16.2	3%	0.027	10%	0.097	C	C	.	.	H	α-helix	trans	-118.3	-28.3	-168.7	-62.4	97	0	0	0	114.3	L29 N31 V34 A37 L38 H47 L196 I201 P203	L29-W206 HydrophobicContact CD2-CE3 4.44Å; L29-W206 WeakPolarHBondContact O-CZ3 3.43Å; N31-W206 HydrophobicContact CB-CE3 3.79Å; N31-W206 HydrophobicContact CB-CZ3 3.73Å; V34-W206 HydrophobicContact CB-CH2 4.01Å; V34-W206 HydrophobicContact CB-CZ2 4.16Å; V34-W206 HydrophobicContact CB-CZ3 4.34Å; V34-W206 HydrophobicContact CG1-CH2 3.71Å; V34-W206 HydrophobicContact CG1-CZ2 3.44Å; V34-W206 VanDerWaalsContact CG1-CZ2 3.44Å; V34-W206 HydrophobicContact CG1-CZ3 4.47Å; A37-W206 VanDerWaalsContact C-CH2 3.47Å; L38-W206 HydrophobicContact CB-CE3 4.42Å; L38-W206 HydrophobicContact CB-CZ3 4.36Å; L38-W206 HydrophobicContact CD1-CB 3.96Å; L38-W206 HydrophobicContact CD1-CD2 3.45Å; L38-W206 VanDerWaalsContact CD1-CD2 3.45Å; L38-W206 HydrophobicContact CD1-CE3 3.82Å; L38-W206 HydrophobicContact CD1-CG 3.48Å; L38-W206 VanDerWaalsContact CD1-CG 3.48Å; L38-W206 HydrophobicContact CD2-CD2 4.01Å; L38-W206 HydrophobicContact CD2-CG 4.47Å; L38-W206 HydrophobicContact CD2-CH2 4.26Å; L38-W206 HydrophobicContact CD2-CZ2 3.65Å; L38-W206 HydrophobicContact CG-CD2 3.39Å; L38-W206 VanDerWaalsContact CG-CE2 3.42Å; L38-W206 HydrophobicContact CG-CE3 3.58Å; L38-W206 HydrophobicContact CG-CG 3.97Å; L38-W206 HydrophobicContact CG-CH2 3.85Å; L38-W206 HydrophobicContact CG-CZ2 3.65Å; L38-W206 HydrophobicContact CG-CZ3 3.8Å; H47-W206 AromaticContact CD2-CZ2 3.58Å; H47-W206 AromaticContact CG-CZ2 4Å; H47-W206 AromaticContact NE2-CZ2 3.81Å; L196-W206 HydrophobicContact CD2-CB 4.01Å; L196-W206 HydrophobicContact CD2-CG 4.44Å; I201-W206 VanDerWaalsContact CG2-CD1 3.5Å; P203-W206 PolarHBondContact O-N 3.17Å
207	L	93.5	Very high	91.1	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.021	10%	0.104	C	C	.	.			trans	-118.5	148.8	-169.4	-50.4	-172.3	0	0	0	110.4	C69 P153 M193 L196 P203	C69-L207 HydrophobicContact CB-CD2 3.79Å; C69-L207 WeakPolarHBondContact O-CA 3.39Å; C69-L207 WeakPolarHBondContact SG-CD2 3.49Å; P153-L207 WeakPolarHBondContact CG-O 3.44Å; M193-L207 HydrophobicContact CB-CD1 4.31Å; M193-L207 HydrophobicContact CG-CD1 3.84Å; L196-L207 HydrophobicContact CD2-CD1 3.91Å; L196-L207 HydrophobicContact CD2-CD2 4.22Å; L196-L207 HydrophobicContact CD2-CG 3.88Å; P203-L207 HydrophobicContact CB-CD1 4.13Å; P203-L207 HydrophobicContact CB-CG 4.42Å; P203-L207 WeakPolarHBondContact O-CA 3.34Å; P203-L207 WeakPolarHBondContact O-CB 3.26Å; P203-L207 PolarHBondContact O-N 2.87Å
208	V	93.9	Very high	91.5	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.024	11%	0.111	C	C	.	.			trans	-93.9	140.5	170	-64.2	0	0	0	0	110.8	A68 C69 L70 F144 P153 N189 I210	A68-V208 HydrophobicContact CB-CB 4.44Å; A68-V208 HydrophobicContact CB-CG1 3.84Å; A68-V208 HydrophobicContact CB-CG2 3.68Å; C69-V208 PolarHBondContact O-N 3.23Å; L70-V208 HydrophobicContact CD2-CG2 3.75Å; F144-V208 HydrophobicContact CB-CB 3.92Å; F144-V208 HydrophobicContact CB-CG2 3.77Å; F144-V208 HydrophobicContact CD1-CG2 4.41Å; F144-V208 HydrophobicContact CD2-CB 4.2Å; F144-V208 HydrophobicContact CD2-CG1 3.95Å; F144-V208 HydrophobicContact CD2-CG2 4.19Å; F144-V208 HydrophobicContact CG-CB 4.23Å; F144-V208 HydrophobicContact CG-CG1 4.46Å; F144-V208 HydrophobicContact CG-CG2 3.88Å; P153-V208 HydrophobicContact CB-CG1 4.12Å; P153-V208 HydrophobicContact CG-CG1 4.12Å; N189-V208 PolarHBondContact ND2-O 3Å; V208-I210 HydrophobicContact CG2-CG2 4.1Å
209	S	93.5	Very high	92	Very high	13 Å²	13	17.9 Å²	17.9	9%	0.091	12%	0.115	C	C	.	.			trans	-71.2	134.6	165.4	-64.1	0	0	0	0	109.8	D155	D155-S209 WeakPolarHBondContact OD1-CB 3.38Å
210	I	96.4	Very high	92.3	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.106	C	C	.	.			trans	-117.7	137.7	176.5	78.4	-176	0	0	0	112.1	L70 I112 L137 F142 Y143 F144 W188 N189 V208	L70-I210 HydrophobicContact CD2-CG2 3.8Å; I112-I210 HydrophobicContact CD1-CG2 4.15Å; L137-I210 HydrophobicContact CD2-CD1 4.17Å; F142-I210 HydrophobicContact CD1-CD1 3.74Å; F142-I210 HydrophobicContact CD1-CG1 4.13Å; F142-I210 HydrophobicContact CE1-CD1 4.29Å; F142-I210 HydrophobicContact CG-CD1 4.46Å; Y143-I210 VanDerWaalsContact O-CA 3.29Å; Y143-I210 WeakPolarHBondContact O-CA 3.19Å; F144-I210 HydrophobicContact CB-CG2 4.24Å; W188-I210 HydrophobicContact CB-CD1 4.37Å; W188-I210 HydrophobicContact CB-CG1 3.89Å; W188-I210 PolarHBondContact N-O 3.22Å; N189-I210 HydrophobicContact CB-CD1 3.75Å; N189-I210 HydrophobicContact CB-CG1 3.84Å; N189-I210 PolarHBondContact OD1-N 3.04Å; N189-I210 VanDerWaalsContact OD1-N 3.15Å; V208-I210 HydrophobicContact CG2-CG2 4.1Å
211	I	96.9	Very high	92.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	155.2	165.4	60.5	168.3	0	0	0	110.2	F142 Y143 L156 T157 V232 R234	F142-I211 VanDerWaalsContact CA-O 3.26Å; F142-I211 WeakPolarHBondContact CA-O 3.21Å; Y143-I211 HydrophobicContact CD2-CG1 4.49Å; Y143-I211 PolarHBondContact N-O 3.12Å; Y143-I211 PolarHBondContact O-N 2.77Å; L156-I211 HydrophobicContact CB-CD1 4.21Å; L156-I211 HydrophobicContact CB-CG1 4.25Å; L156-I211 HydrophobicContact CB-CG2 4.08Å; L156-I211 HydrophobicContact CD1-CD1 4.41Å; L156-I211 HydrophobicContact CD1-CG1 4.43Å; L156-I211 VanDerWaalsContact O-CG2 3.25Å; L156-I211 WeakPolarHBondContact O-CG2 3.17Å; T157-I211 HydrophobicContact CG2-CG2 3.82Å; I211-V232 HydrophobicContact CD1-CG2 3.83Å; I211-R234 HydrophobicContact CD1-CG 4.31Å; I211-R234 HydrophobicContact CG2-CG 4.45Å
212	C	96	Very high	92.4	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.02	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.9	163	-174.5	0	0	0	0	108.9	M141 F142 W188 V235	M141-C212 CarbonylContact O-C 3.59Å; M141-C212 WeakPolarHBondContact O-CA 3.31Å; F142-C212 HydrophobicContact CD1-CB 4.04Å; F142-C212 HydrophobicContact CE1-CB 3.76Å; F142-C212 HydrophobicContact CZ-CB 4.26Å; W188-C212 HydrophobicContact CD2-CB 3.54Å; W188-C212 HydrophobicContact CE3-CB 4.21Å; W188-C212 HydrophobicContact CG-CB 3.82Å; W188-C212 HydrophobicContact CH2-CB 4.27Å; W188-C212 HydrophobicContact CZ2-CB 3.64Å; W188-C212 VanDerWaalsContact NE1-CB 3.34Å; C212-V235 WeakPolarHBondContact O-CB 3.35Å; C212-V235 PolarHBondContact O-N 3.13Å
213	G	93.5	Very high	91.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.4	-125.7	179.9	0	0	0	0	0	114.1	M141 Y143 S233 I470	M141-G213 VanDerWaalsContact CE-O 3.26Å; M141-G213 WeakPolarHBondContact CE-O 3.26Å; M141-G213 PolarHBondContact O-N 2.98Å; Y143-G213 WeakPolarHBondContact CE2-O 3.22Å; G213-S233 WeakPolarHBondContact CA-O 3.38Å; G213-I470 VanDerWaalsContact CA-CD1 3.43Å
214	G	93	Very high	91.1	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	143.7	179.6	0	0	0	0	0	110.9	V232 S233	G214-V232 CarbonylContact O-C 3.53Å; G214-V232 WeakPolarHBondContact O-CA 3.22Å; G214-S233 PolarHBondContact N-O 2.84Å; G214-S233 VanDerWaalsContact N-O 3.1Å; G214-S233 PolarHBondContact O-N 3.34Å
215	F	96.7	Very high	91.1	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.013	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	119	172.3	-173.7	-78.4	0	0	0	107.7	V101 L104 V109 Y143 V217 V232 F264	V101-F215 HydrophobicContact CG2-CD1 3.68Å; V101-F215 HydrophobicContact CG2-CE1 4.36Å; V101-F215 HydrophobicContact CG2-CG 4.45Å; L104-F215 HydrophobicContact CD1-CZ 3.88Å; V109-F215 HydrophobicContact CB-CD1 4Å; V109-F215 HydrophobicContact CB-CE1 3.75Å; V109-F215 HydrophobicContact CB-CE2 4.45Å; V109-F215 HydrophobicContact CB-CG 4.46Å; V109-F215 HydrophobicContact CB-CZ 4.02Å; V109-F215 HydrophobicContact CG1-CB 4.4Å; V109-F215 HydrophobicContact CG1-CD1 3.77Å; V109-F215 HydrophobicContact CG1-CD2 4.1Å; V109-F215 HydrophobicContact CG1-CE1 4.03Å; V109-F215 HydrophobicContact CG1-CE2 4.37Å; V109-F215 HydrophobicContact CG1-CG 3.82Å; V109-F215 HydrophobicContact CG1-CZ 4.34Å; V109-F215 HydrophobicContact CG2-CD1 4.28Å; V109-F215 HydrophobicContact CG2-CD2 4.31Å; V109-F215 HydrophobicContact CG2-CE1 3.68Å; V109-F215 HydrophobicContact CG2-CE2 3.74Å; V109-F215 HydrophobicContact CG2-CZ 3.39Å; Y143-F215 HydrophobicContact CD1-CB 3.85Å; Y143-F215 HydrophobicContact CE1-CB 3.91Å; Y143-F215 HydrophobicContact CG-CB 4.26Å; F215-V217 HydrophobicContact CD1-CG2 4.38Å; F215-V217 HydrophobicContact CE1-CB 4.41Å; F215-V217 HydrophobicContact CE1-CG2 3.45Å; F215-V217 VanDerWaalsContact CE1-CG2 3.45Å; F215-V217 HydrophobicContact CZ-CG2 3.72Å; F215-V232 HydrophobicContact CD2-CB 3.74Å; F215-V232 HydrophobicContact CD2-CG2 3.66Å; F215-V232 HydrophobicContact CE2-CB 4.19Å; F215-V232 HydrophobicContact CE2-CG2 4.38Å; F215-F264 HydrophobicContact CE2-CE1 4.47Å; F215-F264 HydrophobicContact CE2-CZ 4.35Å; F215-F264 HydrophobicContact CZ-CZ 4.15Å
216	E	96	Very high	91.3	Very high	32 Å²	32	31 Å²	31	15%	0.15	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	138.6	178.3	-67.1	-65.8	161.4	0	0	109.3	R111 G230 V231 L459 Q462 H466	R111-E216 IonicContact CZ-OE1 3.36Å; R111-E216 IonicContact NH2-OE1 2.8Å; R111-E216 PolarHBondContact NH2-OE1 2.8Å; E216-G230 WeakPolarHBondContact O-CA 3.29Å; E216-V231 PolarHBondContact N-O 3.23Å; E216-V231 VanDerWaalsContact N-O 3.11Å; E216-V231 PolarHBondContact O-N 3.32Å; E216-L459 HydrophobicContact CB-CD2 3.53Å; E216-Q462 HydrophobicContact CG-CB 4Å; E216-H466 IonicContact OE1-CE1 3.61Å; E216-H466 IonicContact OE1-NE2 3.01Å; E216-H466 PolarHBondContact OE1-NE2 3.1Å
217	V	97	Very high	91.4	Very high	25 Å²	25	30.6 Å²	30.6	15%	0.152	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	136.7	179.5	167.6	0	0	0	0	109.2	L104 F215 R228 V229 F264	L104-V217 HydrophobicContact CD2-CG1 4.19Å; L104-V217 HydrophobicContact CD2-CG2 4.1Å; F215-V217 HydrophobicContact CD1-CG2 4.38Å; F215-V217 HydrophobicContact CE1-CB 4.41Å; F215-V217 HydrophobicContact CE1-CG2 3.45Å; F215-V217 VanDerWaalsContact CE1-CG2 3.45Å; F215-V217 HydrophobicContact CZ-CG2 3.72Å; V217-R228 HydrophobicContact CG1-CB 4.35Å; V217-V229 CarbonylContact C-O 3.59Å; V217-V229 VanDerWaalsContact CA-O 3.28Å; V217-V229 WeakPolarHBondContact CA-O 3.39Å; V217-F264 HydrophobicContact CG2-CE2 4.18Å; V217-F264 HydrophobicContact CG2-CZ 3.77Å
218	C	95.7	Very high	91.5	Very high	31 Å²	31	34.5 Å²	34.5	21%	0.209	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	168.3	168.8	75.2	0	0	0	0	110.9	V229 L459	C218-V229 PolarHBondContact N-O 3.15Å; C218-V229 PolarHBondContact O-N 2.88Å; C218-L459 HydrophobicContact CB-CD2 4.38Å
219	T	95.3	Very high	91.7	Very high	46 Å²	46	34.4 Å²	34.4	28%	0.282	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.9	-179.6	-50	0	0	0	0	109.5	Y221 Q226 A227 R228	T219-Y221 HydrophobicContact CG2-CE2 4.28Å; T219-Q226 HydrophobicContact CG2-CB 4.25Å; T219-A227 WeakPolarHBondContact CA-O 3.34Å; T219-R228 PolarHBondContact OG1-NH1 2.83Å
220	V	93.6	Very high	91.9	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.4	177.9	-178.7	0	0	0	0	108.6	A227 V229 R451 F452	V220-A227 HydrophobicContact CB-CB 4.49Å; V220-A227 PolarHBondContact N-O 2.9Å; V220-A227 PolarHBondContact O-N 3.26Å; V220-V229 HydrophobicContact CB-CG2 4.37Å; V220-V229 HydrophobicContact CG2-CG2 3.9Å; V220-R451 HydrophobicContact CG1-CB 3.82Å; V220-F452 HydrophobicContact CB-CD1 4.22Å; V220-F452 HydrophobicContact CB-CE1 4.02Å; V220-F452 HydrophobicContact CB-CE2 4.35Å; V220-F452 HydrophobicContact CB-CG 4.48Å; V220-F452 HydrophobicContact CB-CZ 4.08Å; V220-F452 HydrophobicContact CG1-CD1 4.21Å; V220-F452 HydrophobicContact CG1-CD2 3.71Å; V220-F452 HydrophobicContact CG1-CE1 4.17Å; V220-F452 HydrophobicContact CG1-CE2 3.66Å; V220-F452 HydrophobicContact CG1-CG 3.98Å; V220-F452 HydrophobicContact CG1-CZ 3.9Å; V220-F452 HydrophobicContact CG2-CD1 4.16Å; V220-F452 HydrophobicContact CG2-CE1 4.38Å; V220-F452 HydrophobicContact CG2-CG 4.48Å
221	Y	89.5	Confident	92	Very high	137 Å²	137	33.9 Å²	33.9	54%	0.537	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	121.5	178.2	-62.4	-93.1	0	0	0	109.9	T219 Q226 R451	T219-Y221 HydrophobicContact CG2-CE2 4.28Å; Y221-Q226 HydrophobicContact CD1-CG 3.74Å; Y221-Q226 HydrophobicContact CE1-CG 3.67Å; Y221-R451 PolarHBondContact O-NH1 3.46Å
222	C	84.1	Confident	92	Very high	19 Å²	19	34 Å²	34	13%	0.128	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	173.8	175.9	66.1	0	0	0	0	111.2	V224 G225 V448 F452	C222-V224 PolarHBondContact O-N 2.89Å; C222-G225 PolarHBondContact N-O 2.78Å; C222-G225 PolarHBondContact O-N 2.81Å; C222-G225 VanDerWaalsContact O-O 3.09Å; C222-G225 PolarHBondContact SG-O 3.31Å; C222-V448 HydrophobicContact CB-CG1 3.47Å; C222-V448 VanDerWaalsContact CB-CG1 3.47Å; C222-F452 HydrophobicContact CB-CE2 4.38Å
223	S	74.6	Confident	92.1	Very high	92 Å²	92	33.9 Å²	33.9	64%	0.643	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.4	-179.3	58	0	0	0	0	113.4	Q445	S223-Q445 PolarHBondContact OG-NE2 3.21Å
224	V	72.7	Confident	92.3	Very high	92 Å²	92	34.2 Å²	34.2	56%	0.558	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-14.4	-176	-164.4	0	0	0	0	111.7	C222 L267	C222-V224 PolarHBondContact O-N 2.89Å; V224-L267 HydrophobicContact CB-CD2 4.21Å; V224-L267 HydrophobicContact CG1-CD2 4.35Å
225	G	83.5	Confident	92.4	Very high	31 Å²	31	34.5 Å²	34.5	32%	0.32	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	146.9	-157.4	179.3	0	0	0	0	0	114	C222	C222-G225 PolarHBondContact N-O 2.78Å; C222-G225 PolarHBondContact O-N 2.81Å; C222-G225 VanDerWaalsContact O-O 3.09Å; C222-G225 PolarHBondContact SG-O 3.31Å
226	Q	90.1	Very high	92.3	Very high	103 Å²	103	34.8 Å²	34.8	48%	0.481	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	113.7	175	-53.6	-175.9	4.5	0	0	109.4	T219 Y221	T219-Q226 HydrophobicContact CG2-CB 4.25Å; Y221-Q226 HydrophobicContact CD1-CG 3.74Å; Y221-Q226 HydrophobicContact CE1-CG 3.67Å
227	A	94.4	Very high	92.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	134.6	173.7	0	0	0	0	0	110.9	T219 V220 V229 I265 Y266 L267 F452	T219-A227 WeakPolarHBondContact CA-O 3.34Å; V220-A227 HydrophobicContact CB-CB 4.49Å; V220-A227 PolarHBondContact N-O 2.9Å; V220-A227 PolarHBondContact O-N 3.26Å; A227-V229 HydrophobicContact CB-CG2 4.39Å; A227-I265 HydrophobicContact CB-CG2 4.17Å; A227-Y266 CarbonylContact C-O 3.58Å; A227-Y266 VanDerWaalsContact CA-O 3.23Å; A227-Y266 WeakPolarHBondContact CA-O 3.27Å; A227-L267 HydrophobicContact CB-CB 4.49Å; A227-L267 HydrophobicContact CB-CD1 4.14Å; A227-F452 HydrophobicContact CB-CE1 3.73Å; A227-F452 HydrophobicContact CB-CZ 3.57Å
228	R	96	Very high	91.8	Very high	86 Å²	86	34.3 Å²	34.3	33%	0.325	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	113.9	167.7	-58	-64.2	178	165.3	2.2	108.5	L104 V217 T219 I265 Y266	L104-R228 HydrophobicContact CD2-CB 3.84Å; L104-R228 HydrophobicContact CD2-CG 4.46Å; V217-R228 HydrophobicContact CG1-CB 4.35Å; T219-R228 PolarHBondContact OG1-NH1 2.83Å; R228-I265 WeakPolarHBondContact O-CA 3.33Å; R228-Y266 PolarHBondContact N-O 3.13Å; R228-Y266 PolarHBondContact O-N 3.17Å
229	V	97.3	Very high	91.5	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.4	-176.2	-175.5	0	0	0	0	108	V217 C218 V220 A227 F264 I265 F452 I456 L459	V217-V229 CarbonylContact C-O 3.59Å; V217-V229 VanDerWaalsContact CA-O 3.28Å; V217-V229 WeakPolarHBondContact CA-O 3.39Å; C218-V229 PolarHBondContact N-O 3.15Å; C218-V229 PolarHBondContact O-N 2.88Å; V220-V229 HydrophobicContact CB-CG2 4.37Å; V220-V229 HydrophobicContact CG2-CG2 3.9Å; A227-V229 HydrophobicContact CB-CG2 4.39Å; V229-F264 WeakPolarHBondContact CA-O 3.28Å; V229-I265 HydrophobicContact CG1-CG1 4.15Å; V229-I265 HydrophobicContact CG2-CG1 4.26Å; V229-I265 HydrophobicContact CG2-CG2 4.26Å; V229-F452 HydrophobicContact CG2-CD1 3.65Å; V229-F452 HydrophobicContact CG2-CE1 3.5Å; V229-F452 VanDerWaalsContact CG2-CE1 3.5Å; V229-I456 HydrophobicContact CG1-CD1 3.59Å; V229-I456 HydrophobicContact CG1-CG1 3.31Å; V229-L459 HydrophobicContact CB-CD1 4.49Å; V229-L459 HydrophobicContact CG1-CD1 4.05Å; V229-L459 WeakPolarHBondContact O-CD1 3.3Å
230	G	97.7	Very high	91.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	160.2	-175.7	0	0	0	0	0	114.6	E216 Q263 F264	E216-G230 WeakPolarHBondContact O-CA 3.29Å; G230-Q263 WeakPolarHBondContact O-CA 3.32Å; G230-F264 PolarHBondContact N-O 3.27Å; G230-F264 PolarHBondContact O-N 3.49Å
231	V	98.3	Very high	90.5	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.018	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	124.3	170.8	178.2	0	0	0	0	107.6	E216 T261 E262 L459 N463	E216-V231 PolarHBondContact N-O 3.23Å; E216-V231 VanDerWaalsContact N-O 3.11Å; E216-V231 PolarHBondContact O-N 3.32Å; V231-T261 HydrophobicContact CG1-CG2 3.58Å; V231-E262 WeakPolarHBondContact CA-O 3.46Å; V231-L459 HydrophobicContact CB-CB 4.31Å; V231-L459 HydrophobicContact CG2-CB 3.81Å; V231-L459 HydrophobicContact CG2-CD1 4.41Å; V231-N463 HydrophobicContact CG1-CB 4.14Å
232	V	97.9	Very high	90	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.2	172.7	58.7	0	0	0	0	109.8	I211 G214 F215 R234 T261 E262 F264	I211-V232 HydrophobicContact CD1-CG2 3.83Å; G214-V232 CarbonylContact O-C 3.53Å; G214-V232 WeakPolarHBondContact O-CA 3.22Å; F215-V232 HydrophobicContact CD2-CB 3.74Å; F215-V232 HydrophobicContact CD2-CG2 3.66Å; F215-V232 HydrophobicContact CE2-CB 4.19Å; F215-V232 HydrophobicContact CE2-CG2 4.38Å; V232-R234 VanDerWaalsContact CG1-NH2 3.29Å; V232-R234 HydrophobicContact CG2-CG 4.32Å; V232-T261 CarbonylContact O-C 3.49Å; V232-T261 WeakPolarHBondContact O-CA 3.42Å; V232-E262 HydrophobicContact CG1-CB 3.83Å; V232-E262 PolarHBondContact N-O 2.84Å; V232-E262 PolarHBondContact O-N 3.26Å; V232-F264 HydrophobicContact CB-CE1 4.44Å; V232-F264 HydrophobicContact CG1-CD1 4.36Å; V232-F264 HydrophobicContact CG1-CE1 4.08Å
233	S	97.6	Very high	89.3	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.3	173.6	-75.6	0	0	0	0	110.2	G213 G214 E260 T261 N463	G213-S233 WeakPolarHBondContact CA-O 3.38Å; G214-S233 PolarHBondContact N-O 2.84Å; G214-S233 VanDerWaalsContact N-O 3.1Å; G214-S233 PolarHBondContact O-N 3.34Å; S233-E260 CarbonylContact C-O 3.52Å; S233-E260 VanDerWaalsContact CA-O 3.28Å; S233-E260 WeakPolarHBondContact CA-O 3.3Å; S233-T261 WeakPolarHBondContact OG-CB 3.43Å; S233-T261 VanDerWaalsContact OG-CG2 3.23Å; S233-T261 WeakPolarHBondContact OG-CG2 3.23Å; S233-T261 PolarHBondContact OG-OG1 2.68Å; S233-N463 WeakPolarHBondContact CB-OD1 3.2Å; S233-N463 VanDerWaalsContact OG-CG 3.3Å; S233-N463 PolarHBondContact OG-ND2 3.15Å; S233-N463 VanDerWaalsContact OG-ND2 3.15Å; S233-N463 PolarHBondContact OG-OD1 3.21Å
234	R	97	Very high	89	Confident	8 Å²	8	28.5 Å²	28.5	3%	0.03	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	111.3	-178.7	-48.9	176.4	-147.9	-72.2	1.1	108.3	L156 F186 I211 V232 V259 E260 E262	L156-R234 PolarHBondContact O-NH1 3.2Å; F186-R234 HydrophobicContact CB-CB 4.02Å; F186-R234 HydrophobicContact CD1-CB 3.55Å; F186-R234 WeakPolarHBondContact CD1-O 3.48Å; F186-R234 HydrophobicContact CD2-CB 4.43Å; F186-R234 HydrophobicContact CE1-CB 4.1Å; F186-R234 VanDerWaalsContact CE1-O 3.28Å; F186-R234 WeakPolarHBondContact CE1-O 3.36Å; F186-R234 HydrophobicContact CG-CB 3.74Å; I211-R234 HydrophobicContact CD1-CG 4.31Å; I211-R234 HydrophobicContact CG2-CG 4.45Å; V232-R234 VanDerWaalsContact CG1-NH2 3.29Å; V232-R234 HydrophobicContact CG2-CG 4.32Å; R234-V259 WeakPolarHBondContact O-CA 3.41Å; R234-E260 PolarHBondContact N-O 3.07Å; R234-E260 IonicContact NE-OE1 3.35Å; R234-E260 PolarHBondContact NE-OE1 3.15Å; R234-E260 PolarHBondContact O-N 3.08Å; R234-E262 IonicContact CZ-OE2 2.69Å; R234-E262 IonicContact NH2-OE2 3.69Å; R234-E262 PolarHBondContact NH2-OE2 2.96Å
235	V	95.5	Very high	88.9	Confident	6 Å²	6	28.2 Å²	28.2	4%	0.036	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	131.6	175.8	-177.2	0	0	0	0	108.9	W188 C212 V259 I470	W188-V235 HydrophobicContact CZ2-CB 4.37Å; W188-V235 HydrophobicContact CZ2-CG1 4.13Å; W188-V235 PolarHBondContact NE1-O 3.28Å; C212-V235 WeakPolarHBondContact O-CB 3.35Å; C212-V235 PolarHBondContact O-N 3.13Å; V235-V259 HydrophobicContact CG2-CG1 4.45Å; V235-V259 HydrophobicContact CG2-CG2 3.96Å; V235-I470 HydrophobicContact CG2-CD1 3.98Å
236	S	95.3	Very high	88.6	Confident	9 Å²	9	27.5 Å²	27.5	6%	0.063	13%	0.127	C	C	.	.			trans	-65.3	136.8	178	174.5	0	0	0	0	112.2	N185 Q238 F258	N185-S236 CarbonylContact O-C 3.48Å; N185-S236 WeakPolarHBondContact O-CA 3.49Å; N185-S236 PolarHBondContact O-OG 3.1Å; S236-Q238 VanDerWaalsContact C-N 3.29Å; S236-Q238 WeakPolarHBondContact OG-CB 3.34Å; S236-Q238 WeakPolarHBondContact OG-CG 3.45Å; S236-Q238 PolarHBondContact OG-N 3.28Å; S236-F258 PolarHBondContact N-O 3.28Å
237	A	93.1	Very high	88.4	Confident	9 Å²	9	23.2 Å²	23.2	7%	0.074	11%	0.106	C	C	.	.	S	Bend	trans	-84.3	0.5	172.3	0	0	0	0	0	112.9	N185 W188 P240 L512	N185-A237 PolarHBondContact O-N 2.78Å; W188-A237 HydrophobicContact CD2-CB 4.44Å; W188-A237 HydrophobicContact CG-CB 4.39Å; A237-P240 WeakPolarHBondContact O-CD 3.29Å; A237-L512 HydrophobicContact CB-CD1 4.25Å; A237-L512 HydrophobicContact CB-CD2 3.75Å
238	Q	89.6	Confident	88.3	Confident	38 Å²	38	23.2 Å²	23.2	18%	0.178	11%	0.106	C	C	.	.	S	Bend	trans	-79	-40.1	-175.7	-63.4	-62	-9.7	0	0	113.6	N185 S236 D254	N185-Q238 HydrophobicContact CB-CG 4.15Å; N185-Q238 PolarHBondContact OD1-NE2 2.93Å; S236-Q238 VanDerWaalsContact C-N 3.29Å; S236-Q238 WeakPolarHBondContact OG-CB 3.34Å; S236-Q238 WeakPolarHBondContact OG-CG 3.45Å; S236-Q238 PolarHBondContact OG-N 3.28Å; Q238-D254 HydrophobicContact CB-CB 4Å; Q238-D254 WeakPolarHBondContact CB-OD1 3.41Å
239	R	89.6	Confident	88.2	Confident	65 Å²	65	19.1 Å²	19.1	25%	0.245	9%	0.091	C	C	.	.	S	Bend	trans	-137.2	61.8	175.9	-170.3	169.6	175.9	73.8	-4.4	111.8	V246 R247 G248 D254 A256	R239-V246 HydrophobicContact CG-CG1 3.63Å; R239-R247 PolarHBondContact NH2-O 3.09Å; R239-G248 PolarHBondContact NE-O 3.39Å; R239-D254 HydrophobicContact CB-CB 3.94Å; R239-D254 WeakPolarHBondContact CD-O 3.12Å; R239-A256 HydrophobicContact CG-CB 4.46Å
240	P	86.3	Confident	87.9	Confident	17 Å²	17	20.4 Å²	20.4	11%	0.11	10%	0.098	C	C	.	.			trans	-78.5	144.9	179	30.3	-27.5	0	0	0	110.7	W188 A237 Q505 M508 L512	W188-P240 HydrophobicContact CH2-CB 3.62Å; W188-P240 HydrophobicContact CH2-CG 4.36Å; W188-P240 HydrophobicContact CZ2-CB 4.08Å; W188-P240 HydrophobicContact CZ3-CB 4.43Å; A237-P240 WeakPolarHBondContact O-CD 3.29Å; P240-Q505 PolarHBondContact O-NE2 3.45Å; P240-M508 HydrophobicContact CB-SD 4.04Å; P240-L512 HydrophobicContact CB-CD1 4.39Å; P240-L512 HydrophobicContact CG-CD1 3.3Å
241	G	79.8	Confident	87.5	Confident	9 Å²	9	21 Å²	21	9%	0.093	10%	0.1	C	C	.	.			trans	173.1	171.9	169.6	0	0	0	0	0	113.3	Y471	G241-Y471 WeakPolarHBondContact O-CD2 3.42Å; G241-Y471 WeakPolarHBondContact O-CE2 3.04Å
242	T	78.9	Confident	86.9	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.			trans	-82.5	162.1	-179.2	60.6	0	0	0	0	111.5	F244 H245 V246 D501 K504	T242-F244 PolarHBondContact O-N 3.33Å; T242-H245 PolarHBondContact O-N 2.61Å; T242-H245 PolarHBondContact OG1-ND1 3.23Å; T242-V246 PolarHBondContact O-N 3.44Å; T242-D501 WeakPolarHBondContact CB-OD2 3.25Å; T242-D501 HydrophobicContact CG2-CB 3.98Å; T242-K504 HydrophobicContact CG2-CB 4.44Å; T242-K504 HydrophobicContact CG2-CD 3.92Å; T242-K504 HydrophobicContact CG2-CG 4.37Å
243	R	71.2	Confident	86.7	Confident	47 Å²	47	22.7 Å²	22.7	18%	0.177	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-36.6	-173.2	-172.6	-178.9	-177.6	-163.6	-0.7	115.8	R247 D413 Y471	R243-R247 PolarHBondContact O-NE 2.97Å; R243-D413 IonicContact CZ-OD1 2.75Å; R243-D413 IonicContact CZ-OD2 3.46Å; R243-D413 IonicContact NE-OD1 3.91Å; R243-D413 PolarHBondContact NE-OD1 2.82Å; R243-D413 IonicContact NE-OD2 3.13Å; R243-D413 IonicContact NH2-OD1 3.95Å; R243-D413 PolarHBondContact NH2-OD1 2.77Å; R243-D413 IonicContact NH2-OD2 3.62Å; R243-D413 PolarHBondContact NH2-OD2 3.05Å; R243-Y471 VanDerWaalsContact CA-CZ 3.41Å; R243-Y471 HydrophobicContact CB-CD1 4.09Å; R243-Y471 HydrophobicContact CB-CE1 3.71Å; R243-Y471 HydrophobicContact CB-CE2 4.45Å; R243-Y471 HydrophobicContact CG-CD1 4.36Å; R243-Y471 HydrophobicContact CG-CE1 3.7Å; R243-Y471 PolarHBondContact N-O 3.49Å
244	F	67.8	Low	86.5	Confident	72 Å²	72	24.1 Å²	24.1	32%	0.316	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-13	-176.2	-62.2	-73.7	0	0	0	113.8	T242 H497	T242-F244 PolarHBondContact O-N 3.33Å; F244-H497 HydrophobicContact CD2-CB 4.13Å; F244-H497 AromaticContact CD2-CG 3.97Å; F244-H497 AromaticContact CD2-ND1 3.85Å; F244-H497 HydrophobicContact CE2-CB 3.94Å; F244-H497 AromaticContact CE2-CD2 3.7Å; F244-H497 AromaticContact CE2-CE1 3.94Å; F244-H497 AromaticContact CE2-CG 3.57Å; F244-H497 AromaticContact CE2-ND1 3.74Å; F244-H497 AromaticContact CE2-NE2 3.95Å
245	H	69.4	Low	86.4	Confident	87 Å²	87	23.9 Å²	23.9	40%	0.403	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-33.7	-179.6	-67.4	84.8	0	0	0	112.1	T242 S502 Q505	T242-H245 PolarHBondContact O-N 2.61Å; T242-H245 PolarHBondContact OG1-ND1 3.23Å; H245-S502 PolarHBondContact NE2-OG 2.61Å; H245-Q505 HydrophobicContact CB-CG 4.4Å
246	V	77.4	Confident	86.2	Confident	15 Å²	15	23.7 Å²	23.7	9%	0.091	12%	0.118	C	C	.	.			trans	-135.2	114.6	-173.6	-168.6	0	0	0	0	111.3	R239 T242 A256 Y471	R239-V246 HydrophobicContact CG-CG1 3.63Å; T242-V246 PolarHBondContact O-N 3.44Å; V246-A256 HydrophobicContact CB-CB 4.43Å; V246-A256 HydrophobicContact CG1-CB 3.76Å; V246-A256 WeakPolarHBondContact O-CB 3.49Å; V246-Y471 PolarHBondContact O-OH 3.4Å
247	R	86.4	Confident	85.9	Confident	13 Å²	13	23.6 Å²	23.6	5%	0.049	12%	0.117	C	C	.	.			trans	-131.8	161.7	174.2	-66.2	-61.4	-168.4	156.3	20	110.4	R239 R243 W285 Q287 V412 D413 Y471	R239-R247 PolarHBondContact NH2-O 3.09Å; R243-R247 PolarHBondContact O-NE 2.97Å; R247-W285 HydrophobicContact CB-CD2 4.23Å; R247-W285 HydrophobicContact CB-CE3 4.24Å; R247-W285 HydrophobicContact CB-CH2 4.35Å; R247-W285 HydrophobicContact CB-CZ2 4.29Å; R247-W285 HydrophobicContact CB-CZ3 4.32Å; R247-W285 WeakPolarHBondContact CB-O 3.44Å; R247-W285 HydrophobicContact CG-CE3 4.49Å; R247-W285 HydrophobicContact CG-CH2 4.18Å; R247-W285 HydrophobicContact CG-CZ3 4.13Å; R247-Q287 VanDerWaalsContact NH2-OE1 3.17Å; R247-V412 PolarHBondContact NH1-O 3.18Å; R247-D413 IonicContact CZ-OD1 3.96Å; R247-D413 IonicContact NH1-OD1 3.48Å; R247-D413 IonicContact NH2-OD1 3.92Å; R247-D413 PolarHBondContact NH2-OD1 2.78Å; R247-Y471 VanDerWaalsContact CD-OH 3.25Å; R247-Y471 WeakPolarHBondContact CD-OH 3.13Å; R247-Y471 PolarHBondContact NE-OH 3.02Å; R247-Y471 PolarHBondContact NH1-OH 3.03Å
248	G	92.3	Very high	86	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	63.8	-163.5	175.8	0	0	0	0	0	114	R239 A256 T280 L283	R239-G248 PolarHBondContact NE-O 3.39Å; G248-A256 PolarHBondContact O-N 3.41Å; G248-T280 PolarHBondContact N-OG1 3.18Å; G248-L283 CarbonylContact C-O 3.52Å; G248-L283 WeakPolarHBondContact CA-O 3.23Å
249	L	92.9	Very high	86.4	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.005	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-94.3	163.1	174.7	78.7	155.6	0	0	0	113.7	D254 V255 P282 L283 F284 A309	L249-D254 CarbonylContact C-O 3.59Å; L249-D254 WeakPolarHBondContact CA-O 3.2Å; L249-D254 WeakPolarHBondContact CB-O 3.38Å; L249-V255 HydrophobicContact CB-CG1 4.04Å; L249-P282 VanDerWaalsContact CD2-O 3.25Å; L249-P282 WeakPolarHBondContact CD2-O 3.29Å; L249-L283 WeakPolarHBondContact CD2-O 3.33Å; L249-L283 PolarHBondContact N-O 3Å; L249-L283 VanDerWaalsContact N-O 3.11Å; L249-F284 HydrophobicContact CD2-CD2 4.22Å; L249-F284 HydrophobicContact CD2-CE2 4.34Å; L249-F284 HydrophobicContact CG-CE2 4.26Å; L249-F284 HydrophobicContact CG-CZ 4.27Å; L249-F284 WeakPolarHBondContact O-CD1 3.42Å; L249-F284 WeakPolarHBondContact O-CE1 3.13Å; L249-A309 HydrophobicContact CD1-CB 3.32Å; L249-A309 WeakPolarHBondContact CD1-O 3.2Å; L249-A309 HydrophobicContact CG-CB 4.32Å
250	N	91.4	Very high	86.7	Confident	28 Å²	28	19.4 Å²	19.4	15%	0.15	10%	0.099	C	C	.	.			trans	-93.8	-179.8	162.9	66.1	8.1	0	0	0	111	C252 G253 D254	N250-C252 PolarHBondContact O-N 3.05Å; N250-C252 WeakPolarHBondContact OD1-CA 3.36Å; N250-C252 WeakPolarHBondContact OD1-CB 3.4Å; N250-C252 PolarHBondContact OD1-N 3.4Å; N250-G253 PolarHBondContact O-N 3.43Å; N250-G253 PolarHBondContact OD1-N 3.24Å; N250-G253 VanDerWaalsContact OD1-N 3.1Å; N250-D254 PolarHBondContact N-O 3.1Å; N250-D254 PolarHBondContact ND2-OD2 3.23Å; N250-D254 WeakPolarHBondContact OD1-CB 3.35Å; N250-D254 PolarHBondContact OD1-N 2.92Å; N250-D254 PolarHBondContact OD1-O 2.78Å; N250-D254 PolarHBondContact OD1-OD2 2.78Å
251	D	89.4	Confident	87.3	Confident	11 Å²	11	18.6 Å²	18.6	6%	0.059	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.4	175.4	-71.3	-70.1	0	0	0	114	R301 R312 N692	D251-R301 IonicContact OD1-CZ 3.92Å; D251-R301 IonicContact OD1-NH1 2.72Å; D251-R301 PolarHBondContact OD1-NH1 3.22Å; D251-R301 IonicContact OD1-NH2 3.66Å; D251-R301 IonicContact OD2-CZ 2.74Å; D251-R301 IonicContact OD2-NH1 3.56Å; D251-R301 PolarHBondContact OD2-NH1 3.45Å; D251-R301 IonicContact OD2-NH2 3.6Å; D251-R301 PolarHBondContact OD2-NH2 3.49Å; D251-R312 PolarHBondContact O-NE 2.88Å; D251-R312 PolarHBondContact O-NH2 3.38Å; D251-N692 WeakPolarHBondContact OD2-CA 3.28Å; D251-N692 PolarHBondContact OD2-N 2.85Å
252	C	86.8	Confident	88.2	Confident	40 Å²	40	18.2 Å²	18.2	27%	0.27	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-5.4	177.7	-55.3	0	0	0	0	113.9	N250 D254 I1057	N250-C252 PolarHBondContact O-N 3.05Å; N250-C252 WeakPolarHBondContact OD1-CA 3.36Å; N250-C252 WeakPolarHBondContact OD1-CB 3.4Å; N250-C252 PolarHBondContact OD1-N 3.4Å; C252-D254 WeakPolarHBondContact CB-OD2 3.23Å; C252-I1057 HydrophobicContact CB-CG1 4.42Å
253	G	92.1	Very high	89.1	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.01	9%	0.09	C	C	.	.	S	Bend	trans	87.6	3	-174.8	0	0	0	0	0	114.4	N250 H313	N250-G253 PolarHBondContact O-N 3.43Å; N250-G253 PolarHBondContact OD1-N 3.24Å; N250-G253 VanDerWaalsContact OD1-N 3.1Å; G253-H313 WeakPolarHBondContact O-CB 3.02Å; G253-H313 PolarHBondContact O-ND1 3.46Å; G253-H313 VanDerWaalsContact O-ND1 3.12Å
254	D	93.5	Very high	90.4	Very high	30 Å²	30	16.3 Å²	16.3	16%	0.16	8%	0.082	C	C	.	.	P	Polyproline II helix	trans	-77.7	128.6	176.4	-51.8	-60.9	0	0	0	109.9	Q238 R239 L249 N250 C252	Q238-D254 HydrophobicContact CB-CB 4Å; Q238-D254 WeakPolarHBondContact CB-OD1 3.41Å; R239-D254 HydrophobicContact CB-CB 3.94Å; R239-D254 WeakPolarHBondContact CD-O 3.12Å; L249-D254 CarbonylContact C-O 3.59Å; L249-D254 WeakPolarHBondContact CA-O 3.2Å; L249-D254 WeakPolarHBondContact CB-O 3.38Å; N250-D254 PolarHBondContact N-O 3.1Å; N250-D254 PolarHBondContact ND2-OD2 3.23Å; N250-D254 WeakPolarHBondContact OD1-CB 3.35Å; N250-D254 PolarHBondContact OD1-N 2.92Å; N250-D254 PolarHBondContact OD1-O 2.78Å; N250-D254 PolarHBondContact OD1-OD2 2.78Å; C252-D254 WeakPolarHBondContact CB-OD2 3.23Å
255	V	94.8	Very high	91.8	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.024	7%	0.067	C	C	.	.	B	Isolated β-bridge	trans	-96.4	146	177.5	-60.8	0	0	0	0	111.6	L249 F258 P282	L249-V255 HydrophobicContact CB-CG1 4.04Å; V255-F258 HydrophobicContact CG2-CB 3.82Å; V255-F258 HydrophobicContact CG2-CD2 3.62Å; V255-F258 HydrophobicContact CG2-CG 4.17Å; V255-P282 HydrophobicContact CG1-CB 3.8Å
256	A	91.4	Very high	93.1	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.008	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	147.4	172.9	0	0	0	0	0	111	R239 V246 G248 F258 T280	R239-A256 HydrophobicContact CG-CB 4.46Å; V246-A256 HydrophobicContact CB-CB 4.43Å; V246-A256 HydrophobicContact CG1-CB 3.76Å; V246-A256 WeakPolarHBondContact O-CB 3.49Å; G248-A256 PolarHBondContact O-N 3.41Å; A256-F258 PolarHBondContact O-N 3.25Å; A256-T280 HydrophobicContact CB-CG2 4.11Å; A256-T280 PolarHBondContact N-OG1 3.34Å; A256-T280 WeakPolarHBondContact O-CG2 3.26Å; A256-T280 PolarHBondContact O-N 2.92Å; A256-T280 PolarHBondContact O-OG1 2.71Å
257	N	90	Very high	93.9	Very high	7 Å²	7	9.7 Å²	9.7	4%	0.037	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	37.9	179.7	-163.8	30.2	0	0	0	112.9	T280 D413 C414 Y471	N257-T280 HydrophobicContact CB-CG2 4.31Å; N257-D413 PolarHBondContact ND2-O 2.85Å; N257-C414 PolarHBondContact ND2-O 2.87Å; N257-Y471 HydrophobicContact CB-CD2 3.96Å; N257-Y471 HydrophobicContact CB-CE2 3.84Å; N257-Y471 HydrophobicContact CB-CG 4.46Å
258	F	95.4	Very high	94	Very high	21 Å²	21	12 Å²	12	9%	0.092	8%	0.078	C	C	.	.			trans	-71.5	127.7	173.1	-172.8	-94.9	0	0	0	110.3	F186 S236 V255 A256 V277 R278 L317 Y321	F186-F258 HydrophobicContact CE1-CD1 4.26Å; F186-F258 HydrophobicContact CE1-CE1 4.28Å; F186-F258 HydrophobicContact CZ-CD1 4.49Å; F186-F258 HydrophobicContact CZ-CE1 4.06Å; S236-F258 PolarHBondContact N-O 3.28Å; V255-F258 HydrophobicContact CG2-CB 3.82Å; V255-F258 HydrophobicContact CG2-CD2 3.62Å; V255-F258 HydrophobicContact CG2-CG 4.17Å; A256-F258 PolarHBondContact O-N 3.25Å; F258-V277 HydrophobicContact CE2-CB 4.11Å; F258-V277 HydrophobicContact CE2-CG2 4.37Å; F258-V277 HydrophobicContact CZ-CB 3.9Å; F258-V277 HydrophobicContact CZ-CG1 3.95Å; F258-V277 HydrophobicContact CZ-CG2 4.4Å; F258-R278 CarbonylContact C-O 3.55Å; F258-R278 VanDerWaalsContact CA-O 3.27Å; F258-R278 WeakPolarHBondContact CA-O 3.35Å; F258-R278 WeakPolarHBondContact CD2-O 3.5Å; F258-L317 HydrophobicContact CE2-CD2 3.83Å; F258-L317 HydrophobicContact CZ-CD2 3.84Å; F258-Y321 HydrophobicContact CZ-CE2 4.31Å
259	V	96.5	Very high	93.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	127.3	-178.7	-171.6	0	0	0	0	109.6	R234 V235 V277 R278 V467	R234-V259 WeakPolarHBondContact O-CA 3.41Å; V235-V259 HydrophobicContact CG2-CG1 4.45Å; V235-V259 HydrophobicContact CG2-CG2 3.96Å; V259-V277 WeakPolarHBondContact O-CA 3.17Å; V259-R278 HydrophobicContact CB-CG 3.86Å; V259-R278 HydrophobicContact CG2-CG 4.35Å; V259-R278 PolarHBondContact N-O 2.93Å; V259-R278 PolarHBondContact O-N 3.28Å; V259-V467 HydrophobicContact CG1-CG2 4.43Å; V259-V467 HydrophobicContact CG2-CG1 4.06Å
260	E	97.7	Very high	94	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.019	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	129.2	163.7	-179.1	-173.8	100.4	0	0	108.4	F186 S233 R234 I275 V277 Y321	F186-E260 HydrophobicContact CE1-CB 3.88Å; F186-E260 HydrophobicContact CE2-CB 4.2Å; F186-E260 HydrophobicContact CZ-CB 3.5Å; F186-E260 HydrophobicContact CZ-CG 4.41Å; S233-E260 CarbonylContact C-O 3.52Å; S233-E260 VanDerWaalsContact CA-O 3.28Å; S233-E260 WeakPolarHBondContact CA-O 3.3Å; R234-E260 PolarHBondContact N-O 3.07Å; R234-E260 IonicContact NE-OE1 3.35Å; R234-E260 PolarHBondContact NE-OE1 3.15Å; R234-E260 PolarHBondContact O-N 3.08Å; E260-I275 HydrophobicContact CG-CG2 3.57Å; E260-V277 HydrophobicContact CB-CG1 4.38Å; E260-V277 HydrophobicContact CG-CG1 4.42Å; E260-Y321 HydrophobicContact CG-CE1 4.44Å; E260-Y321 WeakPolarHBondContact OE2-CE1 3.11Å; E260-Y321 VanDerWaalsContact OE2-CZ 3.31Å; E260-Y321 PolarHBondContact OE2-OH 3.08Å
261	T	98.4	Very high	94.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.5	175.6	-54.3	0	0	0	0	109.9	V231 V232 S233 I275 Q276 W460	V231-T261 HydrophobicContact CG1-CG2 3.58Å; V232-T261 CarbonylContact O-C 3.49Å; V232-T261 WeakPolarHBondContact O-CA 3.42Å; S233-T261 WeakPolarHBondContact OG-CB 3.43Å; S233-T261 VanDerWaalsContact OG-CG2 3.23Å; S233-T261 WeakPolarHBondContact OG-CG2 3.23Å; S233-T261 PolarHBondContact OG-OG1 2.68Å; T261-I275 CarbonylContact O-C 3.58Å; T261-I275 WeakPolarHBondContact O-CA 3.34Å; T261-Q276 PolarHBondContact N-O 2.9Å; T261-Q276 PolarHBondContact O-N 3.44Å; T261-W460 HydrophobicContact CG2-CH2 3.38Å; T261-W460 HydrophobicContact CG2-CZ2 4.15Å; T261-W460 HydrophobicContact CG2-CZ3 3.72Å
262	E	98.4	Very high	94.6	Very high	1 Å²	1	18 Å²	18	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.6	177.1	-177.5	174.8	-151.5	0	0	109.6	N159 I160 V231 V232 R234 S273 Y274 I275	N159-E262 WeakPolarHBondContact CA-OE2 3.36Å; N159-E262 WeakPolarHBondContact CB-OE2 3.37Å; I160-E262 VanDerWaalsContact CB-OE1 3.23Å; I160-E262 WeakPolarHBondContact CB-OE1 3.15Å; I160-E262 WeakPolarHBondContact CG1-OE1 3.34Å; I160-E262 PolarHBondContact N-OE1 3.41Å; I160-E262 PolarHBondContact N-OE2 2.91Å; V231-E262 WeakPolarHBondContact CA-O 3.46Å; V232-E262 HydrophobicContact CG1-CB 3.83Å; V232-E262 PolarHBondContact N-O 2.84Å; V232-E262 PolarHBondContact O-N 3.26Å; R234-E262 IonicContact CZ-OE2 2.69Å; R234-E262 IonicContact NH2-OE2 3.69Å; R234-E262 PolarHBondContact NH2-OE2 2.96Å; E262-S273 WeakPolarHBondContact OE1-CB 3.41Å; E262-S273 PolarHBondContact OE1-OG 2.97Å; E262-Y274 WeakPolarHBondContact CA-O 3.43Å; E262-I275 HydrophobicContact CB-CG1 4.17Å; E262-I275 HydrophobicContact CG-CG1 4.1Å
263	Q	98.5	Very high	95.1	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	134.7	167.2	176.2	178.7	-66.9	0	0	108.1	G230 S273 Y274 G426	G230-Q263 WeakPolarHBondContact O-CA 3.32Å; Q263-S273 CarbonylContact O-C 3.55Å; Q263-S273 WeakPolarHBondContact O-CA 3.08Å; Q263-S273 WeakPolarHBondContact O-CB 3.26Å; Q263-Y274 PolarHBondContact N-O 3.42Å; Q263-Y274 PolarHBondContact O-N 3.46Å; Q263-G426 PolarHBondContact NE2-O 2.81Å; Q263-G426 PolarHBondContact OE1-O 3.01Å
264	F	98.2	Very high	95.4	Very high	5 Å²	5	16.2 Å²	16.2	2%	0.022	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	155.7	-178.8	62.7	-96	0	0	0	113.3	L104 I160 F215 V217 V229 G230 V232 Y266 S272	L104-F264 HydrophobicContact CD1-CE2 3.8Å; L104-F264 HydrophobicContact CD1-CZ 3.8Å; L104-F264 HydrophobicContact CD2-CE2 3.78Å; L104-F264 HydrophobicContact CD2-CZ 4.36Å; L104-F264 HydrophobicContact CG-CE2 4.47Å; I160-F264 HydrophobicContact CD1-CB 3.55Å; I160-F264 HydrophobicContact CD1-CD1 4.28Å; I160-F264 HydrophobicContact CD1-CG 3.9Å; F215-F264 HydrophobicContact CE2-CE1 4.47Å; F215-F264 HydrophobicContact CE2-CZ 4.35Å; F215-F264 HydrophobicContact CZ-CZ 4.15Å; V217-F264 HydrophobicContact CG2-CE2 4.18Å; V217-F264 HydrophobicContact CG2-CZ 3.77Å; V229-F264 WeakPolarHBondContact CA-O 3.28Å; G230-F264 PolarHBondContact N-O 3.27Å; G230-F264 PolarHBondContact O-N 3.49Å; V232-F264 HydrophobicContact CB-CE1 4.44Å; V232-F264 HydrophobicContact CG1-CD1 4.36Å; V232-F264 HydrophobicContact CG1-CE1 4.08Å; F264-Y266 AromaticContact CD2-CD2 3.65Å; F264-Y266 HydrophobicContact CD2-CD2 3.65Å; F264-Y266 AromaticContact CD2-CE2 3.64Å; F264-Y266 HydrophobicContact CD2-CE2 3.64Å; F264-Y266 AromaticContact CE2-CD2 3.95Å; F264-Y266 HydrophobicContact CE2-CD2 3.95Å; F264-Y266 AromaticContact CE2-CE2 3.93Å; F264-Y266 HydrophobicContact CE2-CE2 3.93Å; F264-Y266 HydrophobicContact CG-CE2 4.43Å; F264-S272 CarbonylContact C-O 3.55Å; F264-S272 VanDerWaalsContact CA-O 3.22Å; F264-S272 WeakPolarHBondContact CA-O 3.34Å
265	I	97.3	Very high	95.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	119.1	173.2	-55.5	173.1	0	0	0	108.5	A227 R228 V229 V271 S272 L431 M434 L435 L438 F452	A227-I265 HydrophobicContact CB-CG2 4.17Å; R228-I265 WeakPolarHBondContact O-CA 3.33Å; V229-I265 HydrophobicContact CG1-CG1 4.15Å; V229-I265 HydrophobicContact CG2-CG1 4.26Å; V229-I265 HydrophobicContact CG2-CG2 4.26Å; I265-V271 WeakPolarHBondContact O-CA 3.25Å; I265-S272 PolarHBondContact N-O 3.01Å; I265-S272 PolarHBondContact O-N 2.92Å; I265-L431 HydrophobicContact CD1-CD1 3.7Å; I265-M434 HydrophobicContact CB-CE 4.36Å; I265-M434 HydrophobicContact CD1-CB 4.33Å; I265-M434 HydrophobicContact CD1-CE 4.04Å; I265-M434 HydrophobicContact CG1-CE 3.86Å; I265-L435 HydrophobicContact CD1-CD2 3.96Å; I265-L438 HydrophobicContact CB-CD1 3.68Å; I265-L438 HydrophobicContact CD1-CD1 4.31Å; I265-L438 HydrophobicContact CG2-CD1 3.42Å; I265-L438 VanDerWaalsContact CG2-CD1 3.42Å; I265-F452 HydrophobicContact CD1-CD1 4.31Å; I265-F452 HydrophobicContact CD1-CE1 4.3Å; I265-F452 HydrophobicContact CG2-CE1 4.1Å
266	Y	95.6	Very high	95.8	Very high	25 Å²	25	15 Å²	15	10%	0.098	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.1	165.6	-72.1	-88.2	0	0	0	109.5	L104 P105 I160 A227 R228 F264 V271	L104-Y266 HydrophobicContact CD1-CE2 4.07Å; L104-Y266 HydrophobicContact CD2-CD2 4Å; L104-Y266 HydrophobicContact CD2-CE2 4.31Å; P105-Y266 HydrophobicContact CG-CD1 3.95Å; P105-Y266 HydrophobicContact CG-CG 4.12Å; I160-Y266 HydrophobicContact CD1-CE2 4.29Å; A227-Y266 CarbonylContact C-O 3.58Å; A227-Y266 VanDerWaalsContact CA-O 3.23Å; A227-Y266 WeakPolarHBondContact CA-O 3.27Å; R228-Y266 PolarHBondContact N-O 3.13Å; R228-Y266 PolarHBondContact O-N 3.17Å; F264-Y266 AromaticContact CD2-CD2 3.65Å; F264-Y266 HydrophobicContact CD2-CD2 3.65Å; F264-Y266 AromaticContact CD2-CE2 3.64Å; F264-Y266 HydrophobicContact CD2-CE2 3.64Å; F264-Y266 AromaticContact CE2-CD2 3.95Å; F264-Y266 HydrophobicContact CE2-CD2 3.95Å; F264-Y266 AromaticContact CE2-CE2 3.93Å; F264-Y266 HydrophobicContact CE2-CE2 3.93Å; F264-Y266 HydrophobicContact CG-CE2 4.43Å; Y266-V271 HydrophobicContact CD1-CB 3.77Å; Y266-V271 HydrophobicContact CD1-CG2 3.8Å; Y266-V271 HydrophobicContact CD2-CG2 4.32Å; Y266-V271 HydrophobicContact CE1-CB 3.7Å; Y266-V271 HydrophobicContact CE1-CG1 4.42Å; Y266-V271 HydrophobicContact CE1-CG2 3.54Å; Y266-V271 HydrophobicContact CE2-CG2 4.09Å; Y266-V271 HydrophobicContact CG-CB 4.48Å; Y266-V271 HydrophobicContact CG-CG2 4.18Å
267	L	93.8	Very high	96.1	Very high	11 Å²	11	15 Å²	15	6%	0.058	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	107.7	174.2	177.6	63	0	0	0	109.1	V224 A227 D269 S270 L438 V440	V224-L267 HydrophobicContact CB-CD2 4.21Å; V224-L267 HydrophobicContact CG1-CD2 4.35Å; A227-L267 HydrophobicContact CB-CB 4.49Å; A227-L267 HydrophobicContact CB-CD1 4.14Å; L267-D269 PolarHBondContact O-N 3.23Å; L267-S270 PolarHBondContact N-O 2.84Å; L267-S270 PolarHBondContact O-N 3.2Å; L267-L438 HydrophobicContact CB-CD2 4.27Å; L267-L438 HydrophobicContact CD2-CB 4.18Å; L267-V440 HydrophobicContact CD2-CG2 4.19Å
268	G	89.9	Confident	96.4	Very high	60 Å²	60	14.7 Å²	14.7	62%	0.619	9%	0.091	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	-132.1	-168.8	0	0	0	0	0	110.9	S270	G268-S270 VanDerWaalsContact C-N 3.33Å
269	D	89.7	Confident	96.3	Very high	140 Å²	140	13.7 Å²	13.7	75%	0.749	9%	0.087	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-6.6	176.3	-62.1	-26.8	0	0	0	112.8	L267 G396	L267-D269 PolarHBondContact O-N 3.23Å; D269-G396 WeakPolarHBondContact O-CA 3.46Å; D269-G396 PolarHBondContact O-N 3.39Å
270	S	94.6	Very high	96.2	Very high	16 Å²	16	13.7 Å²	13.7	11%	0.112	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	146	178	-68.3	0	0	0	0	112.5	L267 G268 Y393 A394 N395	L267-S270 PolarHBondContact N-O 2.84Å; L267-S270 PolarHBondContact O-N 3.2Å; G268-S270 VanDerWaalsContact C-N 3.33Å; S270-Y393 PolarHBondContact OG-OH 2.88Å; S270-A394 CarbonylContact C-O 3.45Å; S270-A394 WeakPolarHBondContact CA-O 3.37Å; S270-N395 PolarHBondContact OG-OD1 2.88Å
271	V	96.2	Very high	96	Very high	12 Å²	12	13.5 Å²	13.5	7%	0.073	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	136.6	172.9	61.7	0	0	0	0	110.5	I160 I265 Y266 F392 Y393 A394	I160-V271 HydrophobicContact CD1-CG2 4.06Å; I160-V271 HydrophobicContact CG2-CG1 4.19Å; I160-V271 HydrophobicContact CG2-CG2 4.1Å; I265-V271 WeakPolarHBondContact O-CA 3.25Å; Y266-V271 HydrophobicContact CD1-CB 3.77Å; Y266-V271 HydrophobicContact CD1-CG2 3.8Å; Y266-V271 HydrophobicContact CD2-CG2 4.32Å; Y266-V271 HydrophobicContact CE1-CB 3.7Å; Y266-V271 HydrophobicContact CE1-CG1 4.42Å; Y266-V271 HydrophobicContact CE1-CG2 3.54Å; Y266-V271 HydrophobicContact CE2-CG2 4.09Å; Y266-V271 HydrophobicContact CG-CB 4.48Å; Y266-V271 HydrophobicContact CG-CG2 4.18Å; V271-F392 HydrophobicContact CG1-CE1 4.11Å; V271-Y393 WeakPolarHBondContact O-CA 3.35Å; V271-Y393 WeakPolarHBondContact O-CD2 3.49Å; V271-A394 HydrophobicContact CG1-CB 4.11Å; V271-A394 PolarHBondContact N-O 2.87Å; V271-A394 PolarHBondContact O-N 2.82Å
272	S	97.6	Very high	95.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.9	165.2	57.3	0	0	0	0	110	F264 I265 F392 M434 L438	F264-S272 CarbonylContact C-O 3.55Å; F264-S272 VanDerWaalsContact CA-O 3.22Å; F264-S272 WeakPolarHBondContact CA-O 3.34Å; I265-S272 PolarHBondContact N-O 3.01Å; I265-S272 PolarHBondContact O-N 2.92Å; S272-F392 CarbonylContact C-O 3.57Å; S272-F392 WeakPolarHBondContact CA-O 3.47Å; S272-M434 WeakPolarHBondContact O-CE 3.45Å; S272-M434 VanDerWaalsContact OG-CE 3.25Å; S272-M434 WeakPolarHBondContact OG-CE 3.26Å; S272-L438 WeakPolarHBondContact OG-CD1 3.4Å
273	S	98.1	Very high	95.8	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.007	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	158.5	174.1	79.6	0	0	0	0	113.6	E262 Q263 F392	E262-S273 WeakPolarHBondContact OE1-CB 3.41Å; E262-S273 PolarHBondContact OE1-OG 2.97Å; Q263-S273 CarbonylContact O-C 3.55Å; Q263-S273 WeakPolarHBondContact O-CA 3.08Å; Q263-S273 WeakPolarHBondContact O-CB 3.26Å; S273-F392 PolarHBondContact N-O 2.99Å; S273-F392 PolarHBondContact O-N 3.49Å
274	Y	98.6	Very high	95.5	Very high	1 Å²	1	13.9 Å²	13.9	0%	0.004	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	134.1	176.2	-176.4	-101.2	0	0	0	111	E262 Q263 Q276 T386 Q403 V425 I430	E262-Y274 WeakPolarHBondContact CA-O 3.43Å; Q263-Y274 PolarHBondContact N-O 3.42Å; Q263-Y274 PolarHBondContact O-N 3.46Å; Y274-Q276 HydrophobicContact CD1-CG 3.92Å; Y274-Q276 HydrophobicContact CE1-CG 3.46Å; Y274-Q276 VanDerWaalsContact CE1-CG 3.46Å; Y274-T386 VanDerWaalsContact OH-CG2 3.28Å; Y274-T386 WeakPolarHBondContact OH-CG2 3.41Å; Y274-Q403 HydrophobicContact CD2-CG 4.42Å; Y274-Q403 HydrophobicContact CE2-CG 4.35Å; Y274-V425 HydrophobicContact CE1-CG1 4.07Å; Y274-I430 HydrophobicContact CD1-CB 4.33Å; Y274-I430 HydrophobicContact CD1-CD1 4.28Å; Y274-I430 HydrophobicContact CD1-CG1 3.75Å; Y274-I430 HydrophobicContact CD1-CG2 3.99Å; Y274-I430 HydrophobicContact CD2-CD1 3.88Å; Y274-I430 HydrophobicContact CD2-CG1 4.22Å; Y274-I430 HydrophobicContact CD2-CG2 4.09Å; Y274-I430 HydrophobicContact CE1-CD1 4.02Å; Y274-I430 HydrophobicContact CE1-CG1 3.67Å; Y274-I430 HydrophobicContact CE2-CD1 3.61Å; Y274-I430 HydrophobicContact CE2-CG1 4.17Å; Y274-I430 HydrophobicContact CG-CB 4.39Å; Y274-I430 HydrophobicContact CG-CD1 4.21Å; Y274-I430 HydrophobicContact CG-CG1 4.02Å; Y274-I430 HydrophobicContact CG-CG2 3.62Å
275	I	98.5	Very high	95.1	Very high	8 Å²	8	13.9 Å²	13.9	4%	0.041	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.2	-175.8	-60.6	172.7	0	0	0	110.1	N159 E260 T261 E262 V277 Y321 Q403 V406	N159-I275 HydrophobicContact CB-CD1 3.68Å; N159-I275 VanDerWaalsContact CG-CD1 3.43Å; E260-I275 HydrophobicContact CG-CG2 3.57Å; T261-I275 CarbonylContact O-C 3.58Å; T261-I275 WeakPolarHBondContact O-CA 3.34Å; E262-I275 HydrophobicContact CB-CG1 4.17Å; E262-I275 HydrophobicContact CG-CG1 4.1Å; I275-V277 HydrophobicContact CG2-CG1 4.46Å; I275-Y321 HydrophobicContact CG2-CD1 4.4Å; I275-Y321 HydrophobicContact CG2-CE1 4.05Å; I275-Q403 PolarHBondContact O-NE2 3.42Å; I275-V406 HydrophobicContact CG2-CG2 4.46Å
276	Q	98.2	Very high	94.5	Very high	1 Å²	1	18 Å²	18	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	147.8	167	-64.6	-178.5	76.9	0	0	109.2	T261 Y274 E422	T261-Q276 PolarHBondContact N-O 2.9Å; T261-Q276 PolarHBondContact O-N 3.44Å; Y274-Q276 HydrophobicContact CD1-CG 3.92Å; Y274-Q276 HydrophobicContact CE1-CG 3.46Å; Y274-Q276 VanDerWaalsContact CE1-CG 3.46Å; Q276-E422 PolarHBondContact NE2-O 3.3Å
277	V	98	Very high	93.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.3	174.3	-59.6	0	0	0	0	111.6	F258 V259 E260 I275 L317 Y321 V406 L407 R408 I409	F258-V277 HydrophobicContact CE2-CB 4.11Å; F258-V277 HydrophobicContact CE2-CG2 4.37Å; F258-V277 HydrophobicContact CZ-CB 3.9Å; F258-V277 HydrophobicContact CZ-CG1 3.95Å; F258-V277 HydrophobicContact CZ-CG2 4.4Å; V259-V277 WeakPolarHBondContact O-CA 3.17Å; E260-V277 HydrophobicContact CB-CG1 4.38Å; E260-V277 HydrophobicContact CG-CG1 4.42Å; I275-V277 HydrophobicContact CG2-CG1 4.46Å; V277-L317 HydrophobicContact CG2-CD2 4.24Å; V277-Y321 HydrophobicContact CG1-CD2 4.49Å; V277-Y321 HydrophobicContact CG1-CE1 4.12Å; V277-Y321 HydrophobicContact CG1-CE2 3.91Å; V277-V406 HydrophobicContact CB-CG2 4.4Å; V277-V406 HydrophobicContact CG1-CG2 4.02Å; V277-V406 HydrophobicContact CG2-CG1 4.06Å; V277-V406 HydrophobicContact CG2-CG2 3.95Å; V277-L407 WeakPolarHBondContact CG2-O 3.46Å; V277-L407 PolarHBondContact N-O 3.14Å; V277-R408 HydrophobicContact CG2-CB 3.94Å; V277-R408 HydrophobicContact CG2-CG 4.18Å; V277-R408 WeakPolarHBondContact O-CA 3.44Å; V277-I409 PolarHBondContact O-N 2.6Å
278	R	96.2	Very high	92.3	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	158.6	173.6	68	169.1	176	-153.5	-2.9	111.6	F258 V259 I409 E422	F258-R278 CarbonylContact C-O 3.55Å; F258-R278 VanDerWaalsContact CA-O 3.27Å; F258-R278 WeakPolarHBondContact CA-O 3.35Å; F258-R278 WeakPolarHBondContact CD2-O 3.5Å; V259-R278 HydrophobicContact CB-CG 3.86Å; V259-R278 HydrophobicContact CG2-CG 4.35Å; V259-R278 PolarHBondContact N-O 2.93Å; V259-R278 PolarHBondContact O-N 3.28Å; R278-I409 VanDerWaalsContact CA-O 3.25Å; R278-I409 WeakPolarHBondContact CA-O 3.35Å; R278-I409 VanDerWaalsContact CB-O 3.28Å; R278-I409 WeakPolarHBondContact CB-O 3.32Å; R278-E422 WeakPolarHBondContact CD-OE1 3.22Å; R278-E422 WeakPolarHBondContact CD-OE2 3.46Å; R278-E422 IonicContact CZ-OE2 2.88Å; R278-E422 IonicContact NE-OE2 3.64Å; R278-E422 IonicContact NH1-OE2 3.37Å; R278-E422 PolarHBondContact NH1-OE2 3.34Å
279	G	93.4	Very high	90.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.113	C	C	.	.			trans	-173	166.5	175.5	0	0	0	0	0	112.3	R408 I409 N410 C414	G279-R408 PolarHBondContact O-NH2 3Å; G279-I409 PolarHBondContact N-O 3.02Å; G279-N410 VanDerWaalsContact O-CB 3.25Å; G279-N410 WeakPolarHBondContact O-CB 3.34Å; G279-C414 VanDerWaalsContact C-SG 3.54Å; G279-C414 PolarHBondContact N-SG 3.22Å; G279-C414 PolarHBondContact O-SG 3.05Å
280	T	92.6	Very high	88.9	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-61.2	160	170.9	61.2	0	0	0	0	111.4	G248 A256 N257 R408	G248-T280 PolarHBondContact N-OG1 3.18Å; A256-T280 HydrophobicContact CB-CG2 4.11Å; A256-T280 PolarHBondContact N-OG1 3.34Å; A256-T280 WeakPolarHBondContact O-CG2 3.26Å; A256-T280 PolarHBondContact O-N 2.92Å; A256-T280 PolarHBondContact O-OG1 2.71Å; N257-T280 HydrophobicContact CB-CG2 4.31Å; T280-R408 PolarHBondContact O-NH2 3.16Å
281	V	95.3	Very high	86.7	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.			trans	-54.1	128.2	179.2	178.9	0	0	0	0	109.6	L283 W285 L330 L339 Y343	V281-L283 HydrophobicContact CG1-CB 4.35Å; V281-L283 HydrophobicContact CG1-CD1 3.98Å; V281-L283 HydrophobicContact CG1-CG 3.95Å; V281-L283 PolarHBondContact O-N 3.02Å; V281-W285 PolarHBondContact O-NE1 3.42Å; V281-W285 VanDerWaalsContact O-NE1 3.08Å; V281-L330 HydrophobicContact CG2-CD1 3.73Å; V281-L330 HydrophobicContact CG2-CD2 4.37Å; V281-L330 HydrophobicContact CG2-CG 4.34Å; V281-L339 HydrophobicContact CB-CD1 4.38Å; V281-L339 HydrophobicContact CB-CD2 4.07Å; V281-L339 HydrophobicContact CB-CG 4.21Å; V281-L339 HydrophobicContact CG1-CD1 4.01Å; V281-L339 HydrophobicContact CG1-CD2 4.45Å; V281-L339 HydrophobicContact CG1-CG 4.04Å; V281-L339 HydrophobicContact CG2-CD2 3.72Å; V281-L339 HydrophobicContact CG2-CG 4.04Å; V281-Y343 HydrophobicContact CG1-CD1 3.8Å; V281-Y343 HydrophobicContact CG1-CE1 4.41Å; V281-Y343 HydrophobicContact CG1-CG 3.93Å
282	P	95.4	Very high	84.2	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-77.8	62.6	-176	34.3	-36.3	0	0	0	110.3	L249 V255 F310 H313 F314 Y343	L249-P282 VanDerWaalsContact CD2-O 3.25Å; L249-P282 WeakPolarHBondContact CD2-O 3.29Å; V255-P282 HydrophobicContact CG1-CB 3.8Å; P282-F310 HydrophobicContact CB-CD2 4.47Å; P282-F310 HydrophobicContact CG-CD2 4.21Å; P282-F310 HydrophobicContact CG-CE2 4.02Å; P282-F310 VanDerWaalsContact O-CD2 3.26Å; P282-F310 WeakPolarHBondContact O-CD2 3.31Å; P282-H313 HydrophobicContact CB-CB 4.42Å; P282-F314 HydrophobicContact CG-CE2 4.47Å; P282-Y343 VanDerWaalsContact CD-CZ 3.48Å; P282-Y343 HydrophobicContact CG-CD2 4.28Å; P282-Y343 HydrophobicContact CG-CE1 4.38Å; P282-Y343 HydrophobicContact CG-CE2 3.54Å; P282-Y343 WeakPolarHBondContact CG-OH 3.33Å
283	L	95.3	Very high	81.9	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	19%	0.187	C	C	.	.	S	Bend	trans	-131.1	163.5	169.9	-63.2	176.4	0	0	0	110.3	G248 L249 V281 W285 L303 F310 L339 A342 Q346	G248-L283 CarbonylContact C-O 3.52Å; G248-L283 WeakPolarHBondContact CA-O 3.23Å; L249-L283 WeakPolarHBondContact CD2-O 3.33Å; L249-L283 PolarHBondContact N-O 3Å; L249-L283 VanDerWaalsContact N-O 3.11Å; V281-L283 HydrophobicContact CG1-CB 4.35Å; V281-L283 HydrophobicContact CG1-CD1 3.98Å; V281-L283 HydrophobicContact CG1-CG 3.95Å; V281-L283 PolarHBondContact O-N 3.02Å; L283-W285 PolarHBondContact O-N 2.81Å; L283-L303 HydrophobicContact CD1-CD2 4.18Å; L283-L303 HydrophobicContact CD2-CD2 4.06Å; L283-F310 HydrophobicContact CD2-CD2 4.06Å; L283-F310 HydrophobicContact CD2-CE2 4.48Å; L283-L339 HydrophobicContact CD1-CD1 4.01Å; L283-A342 HydrophobicContact CD1-CB 3.69Å; L283-Q346 HydrophobicContact CD2-CB 4.03Å; L283-Q346 HydrophobicContact CD2-CG 3.64Å
284	F	92.2	Very high	79.7	Confident	10 Å²	10	32.9 Å²	32.9	4%	0.044	20%	0.199	C	C	.	.	S	Bend	trans	-80.2	99.8	169.1	-70.9	-83.2	0	0	0	109	L249 L299 S300 R301 S306 A309	L249-F284 HydrophobicContact CD2-CD2 4.22Å; L249-F284 HydrophobicContact CD2-CE2 4.34Å; L249-F284 HydrophobicContact CG-CE2 4.26Å; L249-F284 HydrophobicContact CG-CZ 4.27Å; L249-F284 WeakPolarHBondContact O-CD1 3.42Å; L249-F284 WeakPolarHBondContact O-CE1 3.13Å; F284-L299 CarbonylContact O-C 3.59Å; F284-L299 WeakPolarHBondContact O-CA 3.25Å; F284-S300 VanDerWaalsContact C-OG 3.25Å; F284-S300 PolarHBondContact O-N 2.76Å; F284-S300 PolarHBondContact O-OG 2.83Å; F284-R301 HydrophobicContact CB-CB 3.78Å; F284-R301 HydrophobicContact CB-CG 3.79Å; F284-R301 HydrophobicContact CD1-CG 4.31Å; F284-R301 HydrophobicContact CD2-CB 4.41Å; F284-R301 HydrophobicContact CD2-CG 4.46Å; F284-R301 HydrophobicContact CG-CB 4.19Å; F284-R301 HydrophobicContact CG-CG 3.95Å; F284-R301 VanDerWaalsContact CZ-NH1 3.29Å; F284-S306 WeakPolarHBondContact CD2-OG 3.47Å; F284-A309 HydrophobicContact CE2-CB 3.75Å; F284-A309 HydrophobicContact CZ-CB 3.93Å
285	W	91.2	Very high	77.9	Confident	5 Å²	5	38.7 Å²	38.7	2%	0.019	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	158.4	-178.4	70.3	-85.2	0	0	0	111.4	R247 V281 L283 Q287 I297 S298 L299 S300 L339 V412	R247-W285 HydrophobicContact CB-CD2 4.23Å; R247-W285 HydrophobicContact CB-CE3 4.24Å; R247-W285 HydrophobicContact CB-CH2 4.35Å; R247-W285 HydrophobicContact CB-CZ2 4.29Å; R247-W285 HydrophobicContact CB-CZ3 4.32Å; R247-W285 WeakPolarHBondContact CB-O 3.44Å; R247-W285 HydrophobicContact CG-CE3 4.49Å; R247-W285 HydrophobicContact CG-CH2 4.18Å; R247-W285 HydrophobicContact CG-CZ3 4.13Å; V281-W285 PolarHBondContact O-NE1 3.42Å; V281-W285 VanDerWaalsContact O-NE1 3.08Å; L283-W285 PolarHBondContact O-N 2.81Å; W285-Q287 HydrophobicContact CZ3-CB 4.43Å; W285-I297 HydrophobicContact CE3-CG2 3.81Å; W285-I297 HydrophobicContact CZ3-CD1 4.44Å; W285-I297 HydrophobicContact CZ3-CG1 4.3Å; W285-I297 HydrophobicContact CZ3-CG2 4.35Å; W285-S298 CarbonylContact C-O 3.3Å; W285-S298 VanDerWaalsContact CA-O 3.26Å; W285-S298 WeakPolarHBondContact CA-O 3.31Å; W285-S298 WeakPolarHBondContact CB-O 3.4Å; W285-L299 HydrophobicContact CB-CD2 4.04Å; W285-S300 PolarHBondContact N-OG 2.7Å; W285-L339 HydrophobicContact CB-CD1 4.1Å; W285-L339 HydrophobicContact CD2-CD1 4.2Å; W285-L339 HydrophobicContact CD2-CD2 3.91Å; W285-L339 HydrophobicContact CE3-CD2 4.18Å; W285-L339 HydrophobicContact CG-CD1 3.82Å; W285-L339 HydrophobicContact CG-CD2 4.4Å; W285-L339 HydrophobicContact CH2-CD2 4.21Å; W285-L339 HydrophobicContact CZ2-CD2 3.99Å; W285-L339 HydrophobicContact CZ3-CD2 4.31Å; W285-V412 HydrophobicContact CH2-CG2 3.96Å; W285-V412 HydrophobicContact CZ3-CG2 4.34Å
286	E	85.1	Confident	76.6	Confident	86 Å²	86	44.8 Å²	44.8	40%	0.402	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	162.5	-177.4	56.3	177.1	-161.1	0	0	110.6	S298	E286-S298 WeakPolarHBondContact CG-OG 3.14Å; E286-S298 PolarHBondContact N-O 2.91Å; E286-S298 PolarHBondContact O-N 3.1Å; E286-S298 VanDerWaalsContact O-N 3.07Å; E286-S298 PolarHBondContact OE1-OG 2.96Å
287	Q	77.2	Confident	75.9	Confident	19 Å²	19	45.4 Å²	45.4	9%	0.089	26%	0.255	C	S	.	.			trans	-128.8	82.6	173.6	-171.9	-178.3	-7.6	0	0	108.3	R247 W285 G289 S294	R247-Q287 VanDerWaalsContact NH2-OE1 3.17Å; W285-Q287 HydrophobicContact CZ3-CB 4.43Å; Q287-G289 PolarHBondContact O-N 2.96Å; Q287-S294 PolarHBondContact NE2-O 3.3Å
288	P	65.2	Low	75.2	Confident	70 Å²	70	47 Å²	47	46%	0.455	27%	0.266	S	S	.	.			trans	-70.9	122.4	-175.2	24.8	-30.9	0	0	0	111.4
289	G	58.3	Low	74.8	Confident	35 Å²	35	49.5 Å²	49.5	36%	0.361	28%	0.279	S	S	.	.			trans	143.8	129.7	165.6	0	0	0	0	0	115.8	Q287 Q291	Q287-G289 PolarHBondContact O-N 2.96Å; G289-Q291 VanDerWaalsContact C-N 3.26Å
290	L	49.3	Very low	74.4	Confident	123 Å²	123	51.1 Å²	51.1	64%	0.644	29%	0.291	S	S	*	.	S	Bend	trans	-78.5	-5.2	161.2	-88.2	106.4	0	0	0	113	V292	L290-V292 PolarHBondContact O-N 2.78Å
291	Q	48.1	Very low	74.1	Confident	131 Å²	131	51.9 Å²	51.9	61%	0.612	29%	0.293	S	S	*	.	S	Bend	trans	-72.1	102.1	178.4	-72.9	-174.6	-26	0	0	109.2	G289 G293 S294	G289-Q291 VanDerWaalsContact C-N 3.26Å; Q291-G293 PolarHBondContact O-N 3.1Å; Q291-S294 PolarHBondContact O-N 3.43Å; Q291-S294 PolarHBondContact O-OG 3.49Å
292	V	44.5	Very low	73.7	Confident	108 Å²	108	53.9 Å²	53.9	66%	0.655	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42	112.1	170.7	-166.8	0	0	0	0	109.3	L290 T494	L290-V292 PolarHBondContact O-N 2.78Å; V292-T494 HydrophobicContact CB-CG2 4.49Å; V292-T494 HydrophobicContact CG1-CG2 4.32Å; V292-T494 HydrophobicContact CG2-CG2 3.35Å
293	G	49.1	Very low	73.4	Confident	57 Å²	57	55.9 Å²	55.9	59%	0.588	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.6	-4.9	-180	0	0	0	0	0	116.7	Q291 H295	Q291-G293 PolarHBondContact O-N 3.1Å; G293-H295 PolarHBondContact O-CD2 2.7Å; G293-H295 PolarHBondContact O-N 2.56Å
294	S	53.2	Low	72.7	Confident	35 Å²	35	59.5 Å²	59.5	25%	0.245	35%	0.347	C	S	.	.			trans	-77.5	105	171.4	66.8	0	0	0	0	111.6	Q287 Q291 K296	Q287-S294 PolarHBondContact NE2-O 3.3Å; Q291-S294 PolarHBondContact O-N 3.43Å; Q291-S294 PolarHBondContact O-OG 3.49Å; S294-K296 VanDerWaalsContact C-N 3.27Å; S294-K296 PolarHBondContact O-N 3.35Å
295	H	59.6	Low	72.4	Confident	122 Å²	122	59.7 Å²	59.7	57%	0.565	35%	0.348	S	S	*	.			trans	-86.5	15.2	176.1	-63.2	-81.6	0	0	0	113.9	G293 I297	G293-H295 PolarHBondContact O-CD2 2.7Å; G293-H295 PolarHBondContact O-N 2.56Å; H295-I297 PolarHBondContact O-N 2.73Å
296	K	71.5	Confident	72.3	Confident	136 Å²	136	59.5 Å²	59.5	59%	0.591	35%	0.348	S	S	*	.			trans	-74.8	113.3	-173.8	-166.3	175.6	-178.5	-179.9	0	109.8	S294	S294-K296 VanDerWaalsContact C-N 3.27Å; S294-K296 PolarHBondContact O-N 3.35Å
297	I	83.9	Confident	72.5	Confident	14 Å²	14	56.9 Å²	56.9	7%	0.072	34%	0.336	C	S	.	.			trans	-98	135.5	174.2	-66.5	170.9	0	0	0	107.7	W285 H295 E336 M338 L339 V412	W285-I297 HydrophobicContact CE3-CG2 3.81Å; W285-I297 HydrophobicContact CZ3-CD1 4.44Å; W285-I297 HydrophobicContact CZ3-CG1 4.3Å; W285-I297 HydrophobicContact CZ3-CG2 4.35Å; H295-I297 PolarHBondContact O-N 2.73Å; I297-E336 HydrophobicContact CD1-CG 4.39Å; I297-M338 HydrophobicContact CB-CE 4.29Å; I297-M338 HydrophobicContact CG2-CE 3.89Å; I297-M338 WeakPolarHBondContact O-CE 3.24Å; I297-L339 HydrophobicContact CD1-CD2 4.35Å; I297-L339 HydrophobicContact CG2-CB 4.35Å; I297-L339 HydrophobicContact CG2-CD2 4.33Å; I297-V412 HydrophobicContact CD1-CG2 3.63Å
298	S	83.1	Confident	73	Confident	33 Å²	33	57.6 Å²	57.6	23%	0.231	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.6	171.8	41.8	0	0	0	0	110.4	W285 E286	W285-S298 CarbonylContact C-O 3.3Å; W285-S298 VanDerWaalsContact CA-O 3.26Å; W285-S298 WeakPolarHBondContact CA-O 3.31Å; W285-S298 WeakPolarHBondContact CB-O 3.4Å; E286-S298 WeakPolarHBondContact CG-OG 3.14Å; E286-S298 PolarHBondContact N-O 2.91Å; E286-S298 PolarHBondContact O-N 3.1Å; E286-S298 VanDerWaalsContact O-N 3.07Å; E286-S298 PolarHBondContact OE1-OG 2.96Å
299	L	86.7	Confident	74.2	Confident	55 Å²	55	54.3 Å²	54.3	29%	0.288	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.7	165.9	-61.8	177.5	0	0	0	107.7	F284 W285 R301 L303 M338 L339 A342	F284-L299 CarbonylContact O-C 3.59Å; F284-L299 WeakPolarHBondContact O-CA 3.25Å; W285-L299 HydrophobicContact CB-CD2 4.04Å; L299-R301 VanDerWaalsContact C-N 3.3Å; L299-L303 HydrophobicContact CD1-CD1 4.39Å; L299-L303 HydrophobicContact CD1-CD2 3.85Å; L299-L303 HydrophobicContact CD1-CG 3.95Å; L299-L303 HydrophobicContact CD2-CD2 4.47Å; L299-M338 HydrophobicContact CD1-SD 4.21Å; L299-M338 HydrophobicContact CD2-SD 4.3Å; L299-M338 HydrophobicContact CG-CE 4.49Å; L299-M338 HydrophobicContact CG-SD 3.89Å; L299-L339 HydrophobicContact CD2-CD1 4.19Å; L299-A342 HydrophobicContact CD1-CB 4.3Å
300	S	85.1	Confident	75.9	Confident	34 Å²	34	52.7 Å²	52.7	24%	0.238	31%	0.305	C	S	.	.	S	Bend	trans	-82.9	-11.9	179.7	55.1	0	0	0	0	112.5	F284 W285	F284-S300 VanDerWaalsContact C-OG 3.25Å; F284-S300 PolarHBondContact O-N 2.76Å; F284-S300 PolarHBondContact O-OG 2.83Å; W285-S300 PolarHBondContact N-OG 2.7Å
301	R	87.3	Confident	78	Confident	15 Å²	15	48.7 Å²	48.7	6%	0.057	28%	0.283	C	S	.	.	S	Bend	trans	-140.9	152.1	171.6	-56.6	-174.2	-171.6	-178.9	4	111.2	D251 F284 L299 I693	D251-R301 IonicContact OD1-CZ 3.92Å; D251-R301 IonicContact OD1-NH1 2.72Å; D251-R301 PolarHBondContact OD1-NH1 3.22Å; D251-R301 IonicContact OD1-NH2 3.66Å; D251-R301 IonicContact OD2-CZ 2.74Å; D251-R301 IonicContact OD2-NH1 3.56Å; D251-R301 PolarHBondContact OD2-NH1 3.45Å; D251-R301 IonicContact OD2-NH2 3.6Å; D251-R301 PolarHBondContact OD2-NH2 3.49Å; F284-R301 HydrophobicContact CB-CB 3.78Å; F284-R301 HydrophobicContact CB-CG 3.79Å; F284-R301 HydrophobicContact CD1-CG 4.31Å; F284-R301 HydrophobicContact CD2-CB 4.41Å; F284-R301 HydrophobicContact CD2-CG 4.46Å; F284-R301 HydrophobicContact CG-CB 4.19Å; F284-R301 HydrophobicContact CG-CG 3.95Å; F284-R301 VanDerWaalsContact CZ-NH1 3.29Å; L299-R301 VanDerWaalsContact C-N 3.3Å; R301-I693 VanDerWaalsContact NH2-N 3.12Å
302	P	86.6	Confident	80	Confident	43 Å²	43	42.8 Å²	42.8	28%	0.279	26%	0.255	S	S	.	.			trans	-59.1	143.3	170.7	-24.5	33.6	0	0	0	112.7	A304 I305 S306 L667 I668	P302-A304 VanDerWaalsContact C-N 3.32Å; P302-A304 PolarHBondContact O-N 3.22Å; P302-I305 HydrophobicContact CB-CD1 4.11Å; P302-I305 HydrophobicContact CG-CD1 3.99Å; P302-I305 PolarHBondContact O-N 3.38Å; P302-S306 PolarHBondContact O-N 3.22Å; P302-S306 PolarHBondContact O-OG 2.78Å; P302-L667 VanDerWaalsContact CG-O 3.28Å; P302-L667 WeakPolarHBondContact CG-O 3.22Å; P302-I668 VanDerWaalsContact CD-O 3.28Å; P302-I668 WeakPolarHBondContact CD-O 3.43Å
303	L	88.8	Confident	82.4	Confident	41 Å²	41	38 Å²	38	22%	0.215	23%	0.225	C	C	.	.	H	α-helix	trans	-60.4	-38.9	-178.6	-67.4	-179.8	0	0	0	112.8	L283 L299 I305 S306 A342 Q346	L283-L303 HydrophobicContact CD1-CD2 4.18Å; L283-L303 HydrophobicContact CD2-CD2 4.06Å; L299-L303 HydrophobicContact CD1-CD1 4.39Å; L299-L303 HydrophobicContact CD1-CD2 3.85Å; L299-L303 HydrophobicContact CD1-CG 3.95Å; L299-L303 HydrophobicContact CD2-CD2 4.47Å; L303-I305 PolarHBondContact O-N 3.29Å; L303-S306 WeakPolarHBondContact O-CB 3.18Å; L303-S306 PolarHBondContact O-N 3.33Å; L303-A342 HydrophobicContact CD1-CB 3.84Å; L303-A342 HydrophobicContact CD2-CB 3.98Å; L303-Q346 VanDerWaalsContact C-NE2 3.35Å; L303-Q346 HydrophobicContact CB-CG 4.26Å; L303-Q346 HydrophobicContact CD2-CG 3.92Å; L303-Q346 HydrophobicContact CG-CG 4.49Å; L303-Q346 PolarHBondContact O-NE2 2.87Å; L303-Q346 PolarHBondContact O-OE1 3.38Å
304	A	81.7	Confident	84.6	Confident	77 Å²	77	35.3 Å²	35.3	64%	0.636	20%	0.197	S	C	*	.	H	α-helix	trans	-57.7	-33.9	-180	0	0	0	0	0	113.3	P302	P302-A304 VanDerWaalsContact C-N 3.32Å; P302-A304 PolarHBondContact O-N 3.22Å
305	I	84.8	Confident	86.5	Confident	14 Å²	14	36.8 Å²	36.8	7%	0.072	20%	0.201	C	C	.	.	H	α-helix	trans	-86.5	-18.2	-178.8	-59.1	161.7	0	0	0	111.2	P302 L303 M307 L666 I668 A687	P302-I305 HydrophobicContact CB-CD1 4.11Å; P302-I305 HydrophobicContact CG-CD1 3.99Å; P302-I305 PolarHBondContact O-N 3.38Å; L303-I305 PolarHBondContact O-N 3.29Å; I305-M307 VanDerWaalsContact C-N 3.35Å; I305-L666 HydrophobicContact CD1-CD1 4.22Å; I305-L666 HydrophobicContact CG1-CD1 4.39Å; I305-I668 HydrophobicContact CD1-CD1 3.36Å; I305-A687 HydrophobicContact CD1-CB 3.7Å; I305-A687 HydrophobicContact CG1-CB 3.71Å; I305-A687 WeakPolarHBondContact CG2-O 3.39Å
306	S	88.6	Confident	88	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.007	18%	0.184	C	C	.	.	H	α-helix	trans	-80.4	-15.4	-177.1	-56.3	0	0	0	0	113.4	F284 P302 L303 S308 A309 F310	F284-S306 WeakPolarHBondContact CD2-OG 3.47Å; P302-S306 PolarHBondContact O-N 3.22Å; P302-S306 PolarHBondContact O-OG 2.78Å; L303-S306 WeakPolarHBondContact O-CB 3.18Å; L303-S306 PolarHBondContact O-N 3.33Å; S306-S308 PolarHBondContact O-N 2.94Å; S306-A309 PolarHBondContact O-N 2.83Å; S306-F310 WeakPolarHBondContact O-CB 3.28Å; S306-F310 PolarHBondContact O-N 3.13Å
307	M	90.6	Very high	89.1	Confident	32 Å²	32	26.4 Å²	26.4	16%	0.158	16%	0.157	C	C	.	.	H	α-helix	trans	-57.2	-45.5	-170.4	-174.1	59.5	72.8	0	0	113.4	I305 A309 F310 E311 Q346 K349	I305-M307 VanDerWaalsContact C-N 3.35Å; M307-A309 VanDerWaalsContact C-N 3.3Å; M307-A309 PolarHBondContact O-N 3.04Å; M307-F310 VanDerWaalsContact O-CB 3.32Å; M307-F310 WeakPolarHBondContact O-CB 3.42Å; M307-F310 PolarHBondContact O-N 3.38Å; M307-F310 VanDerWaalsContact O-N 3.14Å; M307-F310 HydrophobicContact SD-CD1 4.17Å; M307-E311 HydrophobicContact CG-CG 4.39Å; M307-E311 PolarHBondContact O-N 2.71Å; M307-E311 HydrophobicContact SD-CG 4.07Å; M307-Q346 PolarHBondContact SD-OE1 3.06Å; M307-K349 HydrophobicContact CE-CB 3.43Å; M307-K349 VanDerWaalsContact CE-CB 3.43Å
308	S	86.7	Confident	89.5	Confident	33 Å²	33	27.7 Å²	27.7	23%	0.231	16%	0.163	C	C	.	.	H	α-helix	trans	-60.6	-41.3	-177.4	-171.9	0	0	0	0	111.8	S306 R312	S306-S308 PolarHBondContact O-N 2.94Å; S308-R312 WeakPolarHBondContact O-CG 3.13Å; S308-R312 PolarHBondContact O-N 2.99Å; S308-R312 PolarHBondContact O-NH1 3.22Å; S308-R312 PolarHBondContact OG-NH1 2.86Å
309	A	90.6	Very high	89.8	Confident	2 Å²	2	28.4 Å²	28.4	2%	0.017	17%	0.168	C	C	.	.	H	α-helix	trans	-74.9	-34.3	178.2	0	0	0	0	0	111.7	L249 F284 S306 M307 R312 H313	L249-A309 HydrophobicContact CD1-CB 3.32Å; L249-A309 WeakPolarHBondContact CD1-O 3.2Å; L249-A309 HydrophobicContact CG-CB 4.32Å; F284-A309 HydrophobicContact CE2-CB 3.75Å; F284-A309 HydrophobicContact CZ-CB 3.93Å; S306-A309 PolarHBondContact O-N 2.83Å; M307-A309 VanDerWaalsContact C-N 3.3Å; M307-A309 PolarHBondContact O-N 3.04Å; A309-R312 PolarHBondContact O-N 3.36Å; A309-H313 PolarHBondContact O-N 2.9Å
310	F	94.3	Very high	89.9	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.6	-47.7	172.8	176.9	-89.1	0	0	0	112.1	P282 L283 S306 M307 H313 F314 Y343 Q346 H347	P282-F310 HydrophobicContact CB-CD2 4.47Å; P282-F310 HydrophobicContact CG-CD2 4.21Å; P282-F310 HydrophobicContact CG-CE2 4.02Å; P282-F310 VanDerWaalsContact O-CD2 3.26Å; P282-F310 WeakPolarHBondContact O-CD2 3.31Å; L283-F310 HydrophobicContact CD2-CD2 4.06Å; L283-F310 HydrophobicContact CD2-CE2 4.48Å; S306-F310 WeakPolarHBondContact O-CB 3.28Å; S306-F310 PolarHBondContact O-N 3.13Å; M307-F310 VanDerWaalsContact O-CB 3.32Å; M307-F310 WeakPolarHBondContact O-CB 3.42Å; M307-F310 PolarHBondContact O-N 3.38Å; M307-F310 VanDerWaalsContact O-N 3.14Å; M307-F310 HydrophobicContact SD-CD1 4.17Å; F310-H313 WeakPolarHBondContact O-CB 3.49Å; F310-H313 PolarHBondContact O-N 3.07Å; F310-F314 HydrophobicContact CD1-CD2 4.24Å; F310-F314 HydrophobicContact CD1-CE2 4.27Å; F310-F314 HydrophobicContact CD2-CE2 4.43Å; F310-F314 AromaticContact CE1-CD2 3.91Å; F310-F314 HydrophobicContact CE1-CD2 3.91Å; F310-F314 AromaticContact CE1-CE2 3.65Å; F310-F314 HydrophobicContact CE1-CE2 3.65Å; F310-F314 AromaticContact CE2-CE2 3.84Å; F310-F314 HydrophobicContact CE2-CE2 3.84Å; F310-F314 HydrophobicContact CZ-CD2 4.16Å; F310-F314 AromaticContact CZ-CE2 3.42Å; F310-F314 HydrophobicContact CZ-CE2 3.42Å; F310-F314 VanDerWaalsContact CZ-CE2 3.42Å; F310-F314 HydrophobicContact CZ-CZ 4.34Å; F310-F314 WeakPolarHBondContact O-CD2 3.45Å; F310-Y343 AromaticContact CE2-CD2 3.57Å; F310-Y343 HydrophobicContact CE2-CD2 3.57Å; F310-Y343 AromaticContact CE2-CE2 3.45Å; F310-Y343 HydrophobicContact CE2-CE2 3.45Å; F310-Y343 VanDerWaalsContact CE2-CE2 3.45Å; F310-Y343 HydrophobicContact CZ-CD2 4.07Å; F310-Y343 AromaticContact CZ-CE2 3.81Å; F310-Y343 HydrophobicContact CZ-CE2 3.81Å; F310-Q346 HydrophobicContact CD2-CB 4.04Å; F310-Q346 HydrophobicContact CE1-CB 4.47Å; F310-Q346 HydrophobicContact CE2-CB 3.89Å; F310-Q346 HydrophobicContact CG-CB 4.39Å; F310-Q346 HydrophobicContact CZ-CB 4.11Å; F310-H347 HydrophobicContact CZ-CB 4.02Å
311	E	93.4	Very high	90.3	Very high	39 Å²	39	27.5 Å²	27.5	18%	0.182	16%	0.158	C	C	.	.	H	α-helix	trans	-67.1	-39.7	179.2	-72.5	-173.9	141.8	0	0	111.9	M307 H313 F314 M315 S350 S351 F352	M307-E311 HydrophobicContact CG-CG 4.39Å; M307-E311 PolarHBondContact O-N 2.71Å; M307-E311 HydrophobicContact SD-CG 4.07Å; E311-H313 VanDerWaalsContact C-N 3.27Å; E311-H313 PolarHBondContact O-N 3.01Å; E311-F314 PolarHBondContact O-N 2.6Å; E311-M315 WeakPolarHBondContact O-CG 3.28Å; E311-M315 PolarHBondContact O-N 3.21Å; E311-S350 WeakPolarHBondContact OE1-CA 3.44Å; E311-S351 WeakPolarHBondContact OE1-CB 3.45Å; E311-S351 PolarHBondContact OE1-N 2.59Å; E311-S351 PolarHBondContact OE1-OG 3.3Å; E311-F352 HydrophobicContact CB-CD2 4.48Å; E311-F352 HydrophobicContact CB-CE2 3.93Å; E311-F352 HydrophobicContact CG-CD2 4.27Å; E311-F352 HydrophobicContact CG-CE2 4.15Å; E311-F352 WeakPolarHBondContact O-CE2 3.34Å
312	R	90.3	Very high	90.7	Very high	8 Å²	8	27 Å²	27	3%	0.03	16%	0.158	C	C	.	.	H	α-helix	trans	-55.1	-40.7	172.7	-81.8	-169.2	-71.3	-77.7	1.3	113.4	D251 S308 A309 F314 M315 N316 N1056 I1057	D251-R312 PolarHBondContact O-NE 2.88Å; D251-R312 PolarHBondContact O-NH2 3.38Å; S308-R312 WeakPolarHBondContact O-CG 3.13Å; S308-R312 PolarHBondContact O-N 2.99Å; S308-R312 PolarHBondContact O-NH1 3.22Å; S308-R312 PolarHBondContact OG-NH1 2.86Å; A309-R312 PolarHBondContact O-N 3.36Å; R312-F314 VanDerWaalsContact C-N 3.27Å; R312-F314 PolarHBondContact O-N 3.38Å; R312-M315 PolarHBondContact O-N 2.93Å; R312-N316 WeakPolarHBondContact O-CB 3.42Å; R312-N316 PolarHBondContact O-N 3.47Å; R312-N316 PolarHBondContact O-ND2 3.27Å; R312-N1056 WeakPolarHBondContact CD-O 3.31Å; R312-N1056 VanDerWaalsContact CG-O 3.23Å; R312-N1056 WeakPolarHBondContact CG-O 3.18Å; R312-I1057 WeakPolarHBondContact CD-O 3.39Å; R312-I1057 PolarHBondContact NE-O 3.31Å; R312-I1057 PolarHBondContact NH1-O 3.22Å
313	H	94.9	Very high	91.2	Very high	7 Å²	7	27.8 Å²	27.8	3%	0.032	16%	0.164	C	C	.	.	H	α-helix	trans	-55	-46.4	176.1	177.1	60.1	0	0	0	111.3	G253 P282 A309 F310 E311 N316 L317	G253-H313 WeakPolarHBondContact O-CB 3.02Å; G253-H313 PolarHBondContact O-ND1 3.46Å; G253-H313 VanDerWaalsContact O-ND1 3.12Å; P282-H313 HydrophobicContact CB-CB 4.42Å; A309-H313 PolarHBondContact O-N 2.9Å; F310-H313 WeakPolarHBondContact O-CB 3.49Å; F310-H313 PolarHBondContact O-N 3.07Å; E311-H313 VanDerWaalsContact C-N 3.27Å; E311-H313 PolarHBondContact O-N 3.01Å; H313-N316 PolarHBondContact O-N 2.82Å; H313-L317 WeakPolarHBondContact O-CG 3.5Å; H313-L317 PolarHBondContact O-N 2.85Å; H313-L317 VanDerWaalsContact O-N 3.1Å
314	F	95.9	Very high	91.6	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-76	-35	-179.5	-73.1	-69.6	0	0	0	113.4	P282 F310 E311 R312 N316 L317 I318 V324 V326 Y343 F352 I356	P282-F314 HydrophobicContact CG-CE2 4.47Å; F310-F314 HydrophobicContact CD1-CD2 4.24Å; F310-F314 HydrophobicContact CD1-CE2 4.27Å; F310-F314 HydrophobicContact CD2-CE2 4.43Å; F310-F314 AromaticContact CE1-CD2 3.91Å; F310-F314 HydrophobicContact CE1-CD2 3.91Å; F310-F314 AromaticContact CE1-CE2 3.65Å; F310-F314 HydrophobicContact CE1-CE2 3.65Å; F310-F314 AromaticContact CE2-CE2 3.84Å; F310-F314 HydrophobicContact CE2-CE2 3.84Å; F310-F314 HydrophobicContact CZ-CD2 4.16Å; F310-F314 AromaticContact CZ-CE2 3.42Å; F310-F314 HydrophobicContact CZ-CE2 3.42Å; F310-F314 VanDerWaalsContact CZ-CE2 3.42Å; F310-F314 HydrophobicContact CZ-CZ 4.34Å; F310-F314 WeakPolarHBondContact O-CD2 3.45Å; E311-F314 PolarHBondContact O-N 2.6Å; R312-F314 VanDerWaalsContact C-N 3.27Å; R312-F314 PolarHBondContact O-N 3.38Å; F314-N316 VanDerWaalsContact C-N 3.29Å; F314-N316 PolarHBondContact O-N 2.92Å; F314-L317 HydrophobicContact CD1-CD1 4.1Å; F314-L317 HydrophobicContact CE1-CD1 4.41Å; F314-L317 PolarHBondContact O-N 2.84Å; F314-I318 WeakPolarHBondContact O-CB 3.31Å; F314-I318 VanDerWaalsContact O-CG1 3.26Å; F314-I318 WeakPolarHBondContact O-CG1 3.33Å; F314-I318 PolarHBondContact O-N 3.19Å; F314-V324 HydrophobicContact CD1-CG1 4.25Å; F314-V324 HydrophobicContact CE1-CG1 4.27Å; F314-V326 HydrophobicContact CE1-CG2 3.65Å; F314-V326 HydrophobicContact CZ-CG2 3.83Å; F314-Y343 HydrophobicContact CE2-CE2 4.41Å; F314-Y343 HydrophobicContact CZ-CE2 4.21Å; F314-Y343 WeakPolarHBondContact CZ-OH 3.42Å; F314-F352 HydrophobicContact CB-CD2 3.8Å; F314-F352 HydrophobicContact CB-CE2 3.91Å; F314-F352 HydrophobicContact CB-CG 4.35Å; F314-I356 HydrophobicContact CB-CD1 3.78Å; F314-I356 HydrophobicContact CD1-CD1 3.25Å; F314-I356 HydrophobicContact CD2-CD1 4.49Å; F314-I356 HydrophobicContact CE1-CD1 3.85Å; F314-I356 HydrophobicContact CE1-CG2 4.19Å; F314-I356 HydrophobicContact CG-CD1 3.6Å
315	M	92.7	Very high	92.4	Very high	66 Å²	66	22.4 Å²	22.4	33%	0.325	13%	0.125	S	C	.	.	H	α-helix	trans	-56.7	-45.4	170.2	-69.5	171.9	170.6	0	0	111	E311 R312 L317 I318 S319 F352	E311-M315 WeakPolarHBondContact O-CG 3.28Å; E311-M315 PolarHBondContact O-N 3.21Å; R312-M315 PolarHBondContact O-N 2.93Å; M315-L317 PolarHBondContact O-N 3.34Å; M315-I318 PolarHBondContact O-N 3.43Å; M315-S319 VanDerWaalsContact O-CB 3.31Å; M315-S319 WeakPolarHBondContact O-CB 3.38Å; M315-S319 PolarHBondContact O-N 2.87Å; M315-F352 HydrophobicContact CE-CE2 4.47Å; M315-F352 HydrophobicContact CE-CZ 4.12Å; M315-F352 HydrophobicContact CG-CE2 4.03Å; M315-F352 HydrophobicContact CG-CZ 3.56Å
316	N	90.6	Very high	93.1	Very high	37 Å²	37	21.7 Å²	21.7	20%	0.198	12%	0.122	C	C	.	.	H	α-helix	trans	-64.5	-40.7	177.9	-69.9	-16.9	0	0	0	112.1	R312 H313 F314 Q320	R312-N316 WeakPolarHBondContact O-CB 3.42Å; R312-N316 PolarHBondContact O-N 3.47Å; R312-N316 PolarHBondContact O-ND2 3.27Å; H313-N316 PolarHBondContact O-N 2.82Å; F314-N316 VanDerWaalsContact C-N 3.29Å; F314-N316 PolarHBondContact O-N 2.92Å; N316-Q320 WeakPolarHBondContact O-CB 3.44Å; N316-Q320 WeakPolarHBondContact O-CG 3.42Å; N316-Q320 PolarHBondContact O-N 2.95Å; N316-Q320 VanDerWaalsContact O-N 3.07Å; N316-Q320 PolarHBondContact O-NE2 2.9Å
317	L	94	Very high	93.5	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-64.9	-43.7	175	-72	177.6	0	0	0	112.1	F258 V277 H313 F314 M315 Q320 Y321 V324 R408	F258-L317 HydrophobicContact CE2-CD2 3.83Å; F258-L317 HydrophobicContact CZ-CD2 3.84Å; V277-L317 HydrophobicContact CG2-CD2 4.24Å; H313-L317 WeakPolarHBondContact O-CG 3.5Å; H313-L317 PolarHBondContact O-N 2.85Å; H313-L317 VanDerWaalsContact O-N 3.1Å; F314-L317 HydrophobicContact CD1-CD1 4.1Å; F314-L317 HydrophobicContact CE1-CD1 4.41Å; F314-L317 PolarHBondContact O-N 2.84Å; M315-L317 PolarHBondContact O-N 3.34Å; L317-Q320 PolarHBondContact O-N 2.88Å; L317-Y321 HydrophobicContact CD2-CD2 3.97Å; L317-Y321 HydrophobicContact CD2-CE2 3.98Å; L317-Y321 WeakPolarHBondContact O-CB 3.46Å; L317-Y321 WeakPolarHBondContact O-CD2 3.28Å; L317-Y321 PolarHBondContact O-N 3.3Å; L317-V324 HydrophobicContact CB-CG2 3.78Å; L317-V324 HydrophobicContact CD1-CG1 4.19Å; L317-R408 HydrophobicContact CD1-CB 4.29Å; L317-R408 HydrophobicContact CD1-CG 3.96Å
318	I	93.8	Very high	93.8	Very high	41 Å²	41	20.1 Å²	20.1	21%	0.21	11%	0.114	C	C	.	.	H	α-helix	trans	-65.1	-43.7	-179.9	-69.1	164.3	0	0	0	110.8	F314 M315 Q320 G322 V324 F352 I356 V1226	F314-I318 WeakPolarHBondContact O-CB 3.31Å; F314-I318 VanDerWaalsContact O-CG1 3.26Å; F314-I318 WeakPolarHBondContact O-CG1 3.33Å; F314-I318 PolarHBondContact O-N 3.19Å; M315-I318 PolarHBondContact O-N 3.43Å; I318-Q320 VanDerWaalsContact C-N 3.32Å; I318-Q320 PolarHBondContact O-N 2.95Å; I318-G322 VanDerWaalsContact CA-O 3.25Å; I318-G322 WeakPolarHBondContact CA-O 3.35Å; I318-G322 VanDerWaalsContact O-CA 3.31Å; I318-G322 WeakPolarHBondContact O-CA 3.44Å; I318-G322 PolarHBondContact O-N 2.92Å; I318-V324 HydrophobicContact CG1-CG2 3.85Å; I318-F352 HydrophobicContact CD1-CD1 3.89Å; I318-F352 HydrophobicContact CD1-CE1 3.66Å; I318-F352 HydrophobicContact CD1-CZ 4.39Å; I318-I356 HydrophobicContact CD1-CD1 4.31Å; I318-V1226 HydrophobicContact CG2-CG2 4.38Å
319	S	88.7	Confident	94.2	Very high	48 Å²	48	18.6 Å²	18.6	34%	0.336	10%	0.103	S	C	.	.	H	α-helix	trans	-58.4	-43.7	175.2	-178.3	0	0	0	0	111.7	M315 S1224	M315-S319 VanDerWaalsContact O-CB 3.31Å; M315-S319 WeakPolarHBondContact O-CB 3.38Å; M315-S319 PolarHBondContact O-N 2.87Å; S319-S1224 WeakPolarHBondContact O-CA 3.25Å; S319-S1224 WeakPolarHBondContact O-CB 3.47Å
320	Q	88.6	Confident	94.3	Very high	54 Å²	54	18.5 Å²	18.5	25%	0.252	10%	0.102	S	C	.	.	H	α-helix	trans	-81.3	-36.4	-175.6	-72.1	172.6	55.6	0	0	114.1	N185 N316 L317 I318	N185-Q320 PolarHBondContact ND2-NE2 2.81Å; N185-Q320 PolarHBondContact ND2-OE1 3.14Å; N316-Q320 WeakPolarHBondContact O-CB 3.44Å; N316-Q320 WeakPolarHBondContact O-CG 3.42Å; N316-Q320 PolarHBondContact O-N 2.95Å; N316-Q320 VanDerWaalsContact O-N 3.07Å; N316-Q320 PolarHBondContact O-NE2 2.9Å; L317-Q320 PolarHBondContact O-N 2.88Å; I318-Q320 VanDerWaalsContact C-N 3.32Å; I318-Q320 PolarHBondContact O-N 2.95Å
321	Y	94.3	Very high	94	Very high	15 Å²	15	18.9 Å²	18.9	6%	0.059	11%	0.106	C	C	.	.	H	α-helix	trans	-125.7	-5.9	-166.4	-57.1	-74.8	0	0	0	114.8	F258 E260 I275 V277 L317 T404 G405 V406	F258-Y321 HydrophobicContact CZ-CE2 4.31Å; E260-Y321 HydrophobicContact CG-CE1 4.44Å; E260-Y321 WeakPolarHBondContact OE2-CE1 3.11Å; E260-Y321 VanDerWaalsContact OE2-CZ 3.31Å; E260-Y321 PolarHBondContact OE2-OH 3.08Å; I275-Y321 HydrophobicContact CG2-CD1 4.4Å; I275-Y321 HydrophobicContact CG2-CE1 4.05Å; V277-Y321 HydrophobicContact CG1-CD2 4.49Å; V277-Y321 HydrophobicContact CG1-CE1 4.12Å; V277-Y321 HydrophobicContact CG1-CE2 3.91Å; L317-Y321 HydrophobicContact CD2-CD2 3.97Å; L317-Y321 HydrophobicContact CD2-CE2 3.98Å; L317-Y321 WeakPolarHBondContact O-CB 3.46Å; L317-Y321 WeakPolarHBondContact O-CD2 3.28Å; L317-Y321 PolarHBondContact O-N 3.3Å; Y321-T404 CarbonylContact O-C 3.59Å; Y321-G405 WeakPolarHBondContact O-CA 3.43Å; Y321-G405 PolarHBondContact O-N 3.22Å; Y321-V406 VanDerWaalsContact CB-CG1 3.48Å; Y321-V406 HydrophobicContact CD2-CG1 4.15Å; Y321-V406 HydrophobicContact CG-CB 4.25Å; Y321-V406 HydrophobicContact CG-CG1 3.86Å
322	G	94.3	Very high	93.5	Very high	6 Å²	6	21.4 Å²	21.4	6%	0.062	13%	0.127	C	C	.	.	S	Bend	trans	82.2	-129.1	-175.7	0	0	0	0	0	112.8	I318	I318-G322 VanDerWaalsContact CA-O 3.25Å; I318-G322 WeakPolarHBondContact CA-O 3.35Å; I318-G322 VanDerWaalsContact O-CA 3.31Å; I318-G322 WeakPolarHBondContact O-CA 3.44Å; I318-G322 PolarHBondContact O-N 2.92Å
323	S	97.6	Very high	93.2	Very high	58 Å²	58	29.1 Å²	29.1	41%	0.406	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	147.2	-178.1	-63.4	0	0	0	0	112	T404 G405 V406	S323-T404 PolarHBondContact N-O 3.29Å; S323-G405 CarbonylContact O-C 3.54Å; S323-G405 WeakPolarHBondContact O-CA 3.31Å; S323-V406 PolarHBondContact O-N 3.38Å
324	V	98	Very high	92.6	Very high	5 Å²	5	36 Å²	36	3%	0.03	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.4	-177.5	-178.4	0	0	0	0	110.9	F314 L317 I318 I356 V406 R408	F314-V324 HydrophobicContact CD1-CG1 4.25Å; F314-V324 HydrophobicContact CE1-CG1 4.27Å; L317-V324 HydrophobicContact CB-CG2 3.78Å; L317-V324 HydrophobicContact CD1-CG1 4.19Å; I318-V324 HydrophobicContact CG1-CG2 3.85Å; V324-I356 HydrophobicContact CB-CD1 4.3Å; V324-I356 HydrophobicContact CB-CG1 4.4Å; V324-I356 HydrophobicContact CG1-CG2 4.45Å; V324-V406 HydrophobicContact CG2-CG1 4.4Å; V324-R408 HydrophobicContact CG1-CB 4.21Å
325	G	98	Very high	92	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.7	168.2	0	0	0	0	0	111.5	V406 L407 R408	G325-V406 PolarHBondContact N-O 3.28Å; G325-L407 CarbonylContact O-C 3.58Å; G325-L407 WeakPolarHBondContact O-CA 3.28Å; G325-R408 PolarHBondContact O-N 2.82Å
326	V	98.3	Very high	91.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	130.3	180	177.7	0	0	0	0	109.9	F314 N328 Y343 I356 H357 I359 R408	F314-V326 HydrophobicContact CE1-CG2 3.65Å; F314-V326 HydrophobicContact CZ-CG2 3.83Å; V326-N328 HydrophobicContact CG1-CB 4.37Å; V326-Y343 HydrophobicContact CG1-CE1 3.94Å; V326-Y343 WeakPolarHBondContact CG1-OH 3.5Å; V326-I356 HydrophobicContact CG2-CG2 3.81Å; V326-H357 PolarHBondContact N-O 3.01Å; V326-I359 PolarHBondContact O-N 3.24Å; V326-R408 WeakPolarHBondContact CA-O 3.25Å
327	V	98	Very high	91.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	106.6	167	-174.2	0	0	0	0	108.7	L329 I359 I378 I382 L407 R408 I409 N410	V327-L329 HydrophobicContact CG1-CD2 3.75Å; V327-L329 HydrophobicContact CG1-CG 4.42Å; V327-I359 HydrophobicContact CG2-CD1 4.3Å; V327-I378 HydrophobicContact CG1-CD1 3.99Å; V327-I382 HydrophobicContact CG2-CD1 4.31Å; V327-I382 HydrophobicContact CG2-CG1 4.31Å; V327-L407 HydrophobicContact CG2-CD2 4.27Å; V327-R408 PolarHBondContact N-O 2.74Å; V327-R408 VanDerWaalsContact N-O 3.13Å; V327-I409 HydrophobicContact CB-CG1 4.12Å; V327-I409 HydrophobicContact CB-CG2 4.26Å; V327-I409 HydrophobicContact CG2-CG1 4.37Å; V327-I409 WeakPolarHBondContact O-CA 3.27Å; V327-N410 PolarHBondContact O-N 2.84Å; V327-N410 PolarHBondContact O-OD1 2.9Å
328	N	96.8	Very high	91.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	107.4	-174.7	-179.8	8.7	0	0	0	110.8	V326 L330 S340 H358 I359 I360 F361 N410	V326-N328 HydrophobicContact CG1-CB 4.37Å; N328-L330 WeakPolarHBondContact OD1-CB 3.21Å; N328-L330 WeakPolarHBondContact OD1-CD1 3.36Å; N328-L330 VanDerWaalsContact OD1-CG 3.26Å; N328-L330 WeakPolarHBondContact OD1-CG 3.31Å; N328-L330 PolarHBondContact OD1-N 3.35Å; N328-S340 PolarHBondContact ND2-OG 3.01Å; N328-H358 WeakPolarHBondContact CB-NE2 3.35Å; N328-H358 PolarHBondContact ND2-NE2 2.81Å; N328-I359 PolarHBondContact N-O 2.65Å; N328-I360 HydrophobicContact CB-CD1 4.07Å; N328-F361 PolarHBondContact O-N 3.49Å; N328-N410 PolarHBondContact OD1-ND2 3.22Å
329	L	95.8	Very high	91.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.			trans	-94.2	13.7	-174.7	-48.9	174.9	0	0	0	114.6	V327 F361 I409 N410 C411 R417 T418 I421	V327-L329 HydrophobicContact CG1-CD2 3.75Å; V327-L329 HydrophobicContact CG1-CG 4.42Å; L329-F361 VanDerWaalsContact CA-O 3.25Å; L329-F361 WeakPolarHBondContact CA-O 3.34Å; L329-F361 HydrophobicContact CD2-CB 4.22Å; L329-F361 HydrophobicContact CD2-CD1 3.79Å; L329-F361 HydrophobicContact CD2-CG 4.46Å; L329-I409 HydrophobicContact CD1-CG2 3.76Å; L329-I409 HydrophobicContact CG-CG2 4.2Å; L329-N410 WeakPolarHBondContact CA-O 3.28Å; L329-N410 WeakPolarHBondContact CB-O 3.37Å; L329-N410 VanDerWaalsContact CG-O 3.28Å; L329-N410 WeakPolarHBondContact CG-O 3.08Å; L329-N410 PolarHBondContact N-O 3.31Å; L329-C411 HydrophobicContact CB-CB 4Å; L329-R417 HydrophobicContact CD1-CB 4.08Å; L329-R417 WeakPolarHBondContact CD1-O 3.3Å; L329-R417 PolarHBondContact O-NH1 3.31Å; L329-T418 HydrophobicContact CD1-CG2 4.12Å; L329-I421 HydrophobicContact CD1-CB 4.2Å; L329-I421 HydrophobicContact CD1-CG1 3.68Å; L329-I421 HydrophobicContact CD2-CG1 3.84Å; L329-I421 HydrophobicContact CG-CG1 4.43Å
330	L	92.7	Very high	92	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.187	C	C	.	.			trans	-67.5	142.5	178.9	-70.6	170.9	0	0	0	111.6	V281 N328 E336 L339 V412	V281-L330 HydrophobicContact CG2-CD1 3.73Å; V281-L330 HydrophobicContact CG2-CD2 4.37Å; V281-L330 HydrophobicContact CG2-CG 4.34Å; N328-L330 WeakPolarHBondContact OD1-CB 3.21Å; N328-L330 WeakPolarHBondContact OD1-CD1 3.36Å; N328-L330 VanDerWaalsContact OD1-CG 3.26Å; N328-L330 WeakPolarHBondContact OD1-CG 3.31Å; N328-L330 PolarHBondContact OD1-N 3.35Å; L330-E336 HydrophobicContact CD2-CB 4.3Å; L330-E336 HydrophobicContact CD2-CG 4.21Å; L330-L339 HydrophobicContact CD1-CB 4.23Å; L330-L339 HydrophobicContact CD1-CD2 4.33Å; L330-L339 HydrophobicContact CD1-CG 4.08Å; L330-L339 HydrophobicContact CD2-CD2 4.37Å; L330-V412 HydrophobicContact CD2-CB 3.99Å
331	G	86.5	Confident	92.3	Very high	8 Å²	8	35.4 Å²	35.4	8%	0.082	19%	0.192	C	C	.	.			trans	-79	161.6	179.3	0	0	0	0	0	114.1	K333 E336 A337 D362	G331-K333 VanDerWaalsContact C-N 3.3Å; G331-K333 PolarHBondContact O-N 3.33Å; G331-E336 PolarHBondContact N-OE2 2.97Å; G331-E336 CarbonylContact O-C 3.52Å; G331-E336 VanDerWaalsContact O-C 3.27Å; G331-E336 WeakPolarHBondContact O-CB 3.31Å; G331-A337 WeakPolarHBondContact O-CA 3.43Å; G331-A337 PolarHBondContact O-N 3.27Å; G331-A337 VanDerWaalsContact O-N 3.14Å; G331-D362 VanDerWaalsContact CA-CG 3.49Å; G331-D362 WeakPolarHBondContact CA-OD2 3.21Å
332	C	84.6	Confident	92.3	Very high	92 Å²	92	35.1 Å²	35.1	62%	0.622	19%	0.192	S	C	*	.	S	Bend	trans	-88.6	20.9	179.5	-62.7	0	0	0	0	114.1	D362	C332-D362 PolarHBondContact N-OD2 2.82Å
333	K	83.1	Confident	92.4	Very high	170 Å²	170	34.8 Å²	34.8	74%	0.739	19%	0.189	S	C	*	.	S	Bend	trans	-125.2	145.3	-179.8	-62.9	-176.5	-178.2	178.7	0	112.6	G331 E336 A337	G331-K333 VanDerWaalsContact C-N 3.3Å; G331-K333 PolarHBondContact O-N 3.33Å; K333-E336 PolarHBondContact O-N 3.42Å; K333-A337 PolarHBondContact O-N 3.47Å
334	Q	81.6	Confident	92.4	Very high	150 Å²	150	35.7 Å²	35.7	70%	0.701	19%	0.187	S	C	*	.	H	α-helix	trans	50.9	-134.4	170.7	-58.2	-178.6	-15.2	0	0	112.8	E336 A337 M338	Q334-E336 VanDerWaalsContact C-N 3.29Å; Q334-E336 PolarHBondContact O-N 3.18Å; Q334-A337 WeakPolarHBondContact O-CB 3.4Å; Q334-A337 PolarHBondContact O-N 3.02Å; Q334-M338 PolarHBondContact O-N 2.93Å
335	G	83.4	Confident	92.3	Very high	14 Å²	14	38 Å²	38	14%	0.144	20%	0.197	C	C	.	.	H	α-helix	trans	-62.9	-29.2	-177	0	0	0	0	0	114.5	L339	G335-L339 WeakPolarHBondContact O-CB 3.39Å; G335-L339 PolarHBondContact O-N 3.3Å; G335-L339 VanDerWaalsContact O-N 3.08Å
336	E	89.6	Confident	92.1	Very high	41 Å²	41	38.2 Å²	38.2	19%	0.192	20%	0.198	C	C	.	.	H	α-helix	trans	-69.6	-36.1	177.5	-69.2	-161.8	-164.4	0	0	111.7	I297 L330 G331 K333 Q334 L339 S340 V412 R417	I297-E336 HydrophobicContact CD1-CG 4.39Å; L330-E336 HydrophobicContact CD2-CB 4.3Å; L330-E336 HydrophobicContact CD2-CG 4.21Å; G331-E336 PolarHBondContact N-OE2 2.97Å; G331-E336 CarbonylContact O-C 3.52Å; G331-E336 VanDerWaalsContact O-C 3.27Å; G331-E336 WeakPolarHBondContact O-CB 3.31Å; K333-E336 PolarHBondContact O-N 3.42Å; Q334-E336 VanDerWaalsContact C-N 3.29Å; Q334-E336 PolarHBondContact O-N 3.18Å; E336-L339 PolarHBondContact O-N 3.44Å; E336-S340 VanDerWaalsContact O-CB 3.3Å; E336-S340 WeakPolarHBondContact O-CB 3.29Å; E336-S340 PolarHBondContact O-N 3.33Å; E336-V412 HydrophobicContact CG-CB 4.22Å; E336-V412 HydrophobicContact CG-CG2 4.38Å; E336-V412 VanDerWaalsContact OE1-CG1 3.31Å; E336-V412 WeakPolarHBondContact OE1-CG1 3.28Å; E336-R417 IonicContact OE1-CZ 3.76Å; E336-R417 IonicContact OE1-NH1 3.71Å; E336-R417 IonicContact OE1-NH2 2.84Å; E336-R417 PolarHBondContact OE1-NH2 3.38Å; E336-R417 IonicContact OE2-CZ 3.9Å; E336-R417 IonicContact OE2-NH1 3.95Å; E336-R417 PolarHBondContact OE2-NH1 3.42Å; E336-R417 IonicContact OE2-NH2 3.38Å; E336-R417 PolarHBondContact OE2-NH2 3.08Å
337	A	91	Very high	92.1	Very high	32 Å²	32	39 Å²	39	26%	0.264	20%	0.202	S	C	.	.	H	α-helix	trans	-63.1	-46.9	176.2	0	0	0	0	0	111	G331 K333 Q334 L339 S340 K341	G331-A337 WeakPolarHBondContact O-CA 3.43Å; G331-A337 PolarHBondContact O-N 3.27Å; G331-A337 VanDerWaalsContact O-N 3.14Å; K333-A337 PolarHBondContact O-N 3.47Å; Q334-A337 WeakPolarHBondContact O-CB 3.4Å; Q334-A337 PolarHBondContact O-N 3.02Å; A337-L339 VanDerWaalsContact C-N 3.34Å; A337-L339 PolarHBondContact O-N 3.29Å; A337-S340 PolarHBondContact O-N 3.36Å; A337-K341 VanDerWaalsContact O-CB 3.3Å; A337-K341 WeakPolarHBondContact O-CB 3.41Å; A337-K341 PolarHBondContact O-N 3.5Å
338	M	91.2	Very high	92	Very high	63 Å²	63	45.5 Å²	45.5	31%	0.31	23%	0.226	S	C	.	.	H	α-helix	trans	-57.8	-47.7	176.5	179.1	-87.7	-76.9	0	0	111.1	I297 L299 Q334 S340 K341 A342	I297-M338 HydrophobicContact CB-CE 4.29Å; I297-M338 HydrophobicContact CG2-CE 3.89Å; I297-M338 WeakPolarHBondContact O-CE 3.24Å; L299-M338 HydrophobicContact CD1-SD 4.21Å; L299-M338 HydrophobicContact CD2-SD 4.3Å; L299-M338 HydrophobicContact CG-CE 4.49Å; L299-M338 HydrophobicContact CG-SD 3.89Å; Q334-M338 PolarHBondContact O-N 2.93Å; M338-S340 PolarHBondContact O-N 2.94Å; M338-K341 PolarHBondContact O-N 3.27Å; M338-A342 VanDerWaalsContact O-CB 3.3Å; M338-A342 WeakPolarHBondContact O-CB 3.19Å; M338-A342 PolarHBondContact O-N 2.92Å
339	L	93.1	Very high	91.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.9	-38.2	-179.8	-171.4	61.5	0	0	0	112.3	V281 L283 W285 I297 L299 L330 G335 E336 A337 A342 Y343	V281-L339 HydrophobicContact CB-CD1 4.38Å; V281-L339 HydrophobicContact CB-CD2 4.07Å; V281-L339 HydrophobicContact CB-CG 4.21Å; V281-L339 HydrophobicContact CG1-CD1 4.01Å; V281-L339 HydrophobicContact CG1-CD2 4.45Å; V281-L339 HydrophobicContact CG1-CG 4.04Å; V281-L339 HydrophobicContact CG2-CD2 3.72Å; V281-L339 HydrophobicContact CG2-CG 4.04Å; L283-L339 HydrophobicContact CD1-CD1 4.01Å; W285-L339 HydrophobicContact CB-CD1 4.1Å; W285-L339 HydrophobicContact CD2-CD1 4.2Å; W285-L339 HydrophobicContact CD2-CD2 3.91Å; W285-L339 HydrophobicContact CE3-CD2 4.18Å; W285-L339 HydrophobicContact CG-CD1 3.82Å; W285-L339 HydrophobicContact CG-CD2 4.4Å; W285-L339 HydrophobicContact CH2-CD2 4.21Å; W285-L339 HydrophobicContact CZ2-CD2 3.99Å; W285-L339 HydrophobicContact CZ3-CD2 4.31Å; I297-L339 HydrophobicContact CD1-CD2 4.35Å; I297-L339 HydrophobicContact CG2-CB 4.35Å; I297-L339 HydrophobicContact CG2-CD2 4.33Å; L299-L339 HydrophobicContact CD2-CD1 4.19Å; L330-L339 HydrophobicContact CD1-CB 4.23Å; L330-L339 HydrophobicContact CD1-CD2 4.33Å; L330-L339 HydrophobicContact CD1-CG 4.08Å; L330-L339 HydrophobicContact CD2-CD2 4.37Å; G335-L339 WeakPolarHBondContact O-CB 3.39Å; G335-L339 PolarHBondContact O-N 3.3Å; G335-L339 VanDerWaalsContact O-N 3.08Å; E336-L339 PolarHBondContact O-N 3.44Å; A337-L339 VanDerWaalsContact C-N 3.34Å; A337-L339 PolarHBondContact O-N 3.29Å; L339-A342 PolarHBondContact O-N 2.96Å; L339-Y343 WeakPolarHBondContact O-CB 3.43Å; L339-Y343 PolarHBondContact O-N 2.8Å
340	S	94.9	Very high	91.9	Very high	8 Å²	8	51.2 Å²	51.2	6%	0.056	25%	0.251	C	S	.	.	H	α-helix	trans	-66	-45.2	177.5	-170.8	0	0	0	0	111.7	N328 E336 A337 M338 A342 Y343 Q344	N328-S340 PolarHBondContact ND2-OG 3.01Å; E336-S340 VanDerWaalsContact O-CB 3.3Å; E336-S340 WeakPolarHBondContact O-CB 3.29Å; E336-S340 PolarHBondContact O-N 3.33Å; A337-S340 PolarHBondContact O-N 3.36Å; M338-S340 PolarHBondContact O-N 2.94Å; S340-A342 VanDerWaalsContact C-N 3.35Å; S340-Y343 PolarHBondContact O-N 3.43Å; S340-Q344 WeakPolarHBondContact O-CG 3.32Å; S340-Q344 PolarHBondContact O-N 2.96Å; S340-Q344 PolarHBondContact O-NE2 3.31Å; S340-Q344 PolarHBondContact OG-NE2 2.84Å; S340-Q344 VanDerWaalsContact OG-NE2 3.13Å
341	K	95.2	Very high	91.9	Very high	81 Å²	81	54.8 Å²	54.8	35%	0.352	28%	0.277	S	S	.	.	H	α-helix	trans	-62.3	-43	176.3	-172	177.9	-177.4	-178.2	0	111.2	A337 M338 Y343 Q344 E345 I1103	A337-K341 VanDerWaalsContact O-CB 3.3Å; A337-K341 WeakPolarHBondContact O-CB 3.41Å; A337-K341 PolarHBondContact O-N 3.5Å; M338-K341 PolarHBondContact O-N 3.27Å; K341-Y343 VanDerWaalsContact C-N 3.35Å; K341-Y343 PolarHBondContact O-N 2.9Å; K341-Q344 PolarHBondContact O-N 2.84Å; K341-E345 WeakPolarHBondContact O-CB 3.25Å; K341-E345 PolarHBondContact O-N 2.88Å; K341-I1103 VanDerWaalsContact NZ-CD1 3.27Å
342	A	94.9	Very high	92.4	Very high	8 Å²	8	55.7 Å²	55.7	7%	0.066	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-40.9	174.9	0	0	0	0	0	112.5	L283 L299 L303 M338 L339 S340 E345 Q346	L283-A342 HydrophobicContact CD1-CB 3.69Å; L299-A342 HydrophobicContact CD1-CB 4.3Å; L303-A342 HydrophobicContact CD1-CB 3.84Å; L303-A342 HydrophobicContact CD2-CB 3.98Å; M338-A342 VanDerWaalsContact O-CB 3.3Å; M338-A342 WeakPolarHBondContact O-CB 3.19Å; M338-A342 PolarHBondContact O-N 2.92Å; L339-A342 PolarHBondContact O-N 2.96Å; S340-A342 VanDerWaalsContact C-N 3.35Å; A342-E345 PolarHBondContact O-N 3.43Å; A342-Q346 PolarHBondContact O-N 2.8Å
343	Y	96.8	Very high	92.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-67	-45.8	178	-172	-172.4	0	0	0	111.2	V281 P282 F310 F314 V326 L339 S340 K341 E345 Q346 H347 H358	V281-Y343 HydrophobicContact CG1-CD1 3.8Å; V281-Y343 HydrophobicContact CG1-CE1 4.41Å; V281-Y343 HydrophobicContact CG1-CG 3.93Å; P282-Y343 VanDerWaalsContact CD-CZ 3.48Å; P282-Y343 HydrophobicContact CG-CD2 4.28Å; P282-Y343 HydrophobicContact CG-CE1 4.38Å; P282-Y343 HydrophobicContact CG-CE2 3.54Å; P282-Y343 WeakPolarHBondContact CG-OH 3.33Å; F310-Y343 AromaticContact CE2-CD2 3.57Å; F310-Y343 HydrophobicContact CE2-CD2 3.57Å; F310-Y343 AromaticContact CE2-CE2 3.45Å; F310-Y343 HydrophobicContact CE2-CE2 3.45Å; F310-Y343 VanDerWaalsContact CE2-CE2 3.45Å; F310-Y343 HydrophobicContact CZ-CD2 4.07Å; F310-Y343 AromaticContact CZ-CE2 3.81Å; F310-Y343 HydrophobicContact CZ-CE2 3.81Å; F314-Y343 HydrophobicContact CE2-CE2 4.41Å; F314-Y343 HydrophobicContact CZ-CE2 4.21Å; F314-Y343 WeakPolarHBondContact CZ-OH 3.42Å; V326-Y343 HydrophobicContact CG1-CE1 3.94Å; V326-Y343 WeakPolarHBondContact CG1-OH 3.5Å; L339-Y343 WeakPolarHBondContact O-CB 3.43Å; L339-Y343 PolarHBondContact O-N 2.8Å; S340-Y343 PolarHBondContact O-N 3.43Å; K341-Y343 VanDerWaalsContact C-N 3.35Å; K341-Y343 PolarHBondContact O-N 2.9Å; Y343-E345 VanDerWaalsContact C-N 3.32Å; Y343-E345 PolarHBondContact O-N 3.02Å; Y343-Q346 PolarHBondContact O-N 3.38Å; Y343-H347 WeakPolarHBondContact O-CB 3.32Å; Y343-H347 PolarHBondContact O-N 3.34Å; Y343-H358 AromaticContact CD1-CE1 3.95Å; Y343-H358 AromaticContact CD1-NE2 3.98Å; Y343-H358 AromaticContact CG-CE1 3.88Å
344	Q	96.7	Very high	93.4	Very high	77 Å²	77	56.6 Å²	56.6	36%	0.36	27%	0.274	S	S	.	.	H	α-helix	trans	-59.5	-43.1	175.6	-72.5	172.2	68.2	0	0	111.8	S340 K341 H347 R348 I360	S340-Q344 WeakPolarHBondContact O-CG 3.32Å; S340-Q344 PolarHBondContact O-N 2.96Å; S340-Q344 PolarHBondContact O-NE2 3.31Å; S340-Q344 PolarHBondContact OG-NE2 2.84Å; S340-Q344 VanDerWaalsContact OG-NE2 3.13Å; K341-Q344 PolarHBondContact O-N 2.84Å; Q344-H347 PolarHBondContact O-N 2.85Å; Q344-R348 WeakPolarHBondContact O-CB 3.43Å; Q344-R348 PolarHBondContact O-N 2.78Å; Q344-I360 HydrophobicContact CG-CD1 3.57Å; Q344-I360 HydrophobicContact CG-CG1 4.3Å
345	E	96	Very high	94	Very high	54 Å²	54	54.2 Å²	54.2	25%	0.252	27%	0.27	S	S	.	.	H	α-helix	trans	-67.2	-40.7	179.4	176.9	59	-173.9	0	0	112.7	K341 A342 Y343 R348 K349	K341-E345 WeakPolarHBondContact O-CB 3.25Å; K341-E345 PolarHBondContact O-N 2.88Å; A342-E345 PolarHBondContact O-N 3.43Å; Y343-E345 VanDerWaalsContact C-N 3.32Å; Y343-E345 PolarHBondContact O-N 3.02Å; E345-R348 PolarHBondContact O-N 3.25Å; E345-R348 IonicContact OE1-CZ 3.83Å; E345-R348 IonicContact OE1-NH2 2.89Å; E345-R348 PolarHBondContact OE1-NH2 3.07Å; E345-R348 IonicContact OE2-CZ 2.73Å; E345-R348 IonicContact OE2-NE 2.79Å; E345-R348 PolarHBondContact OE2-NE 2.74Å; E345-R348 IonicContact OE2-NH2 3.2Å; E345-R348 PolarHBondContact OE2-NH2 3.32Å; E345-R348 VanDerWaalsContact OE2-NH2 3.09Å; E345-K349 HydrophobicContact CG-CD 4.38Å; E345-K349 WeakPolarHBondContact O-CB 3.4Å; E345-K349 PolarHBondContact O-N 2.96Å; E345-K349 VanDerWaalsContact O-N 3.15Å; E345-K349 VanDerWaalsContact OE1-CD 3.3Å; E345-K349 WeakPolarHBondContact OE1-CD 3.49Å; E345-K349 WeakPolarHBondContact OE1-CE 3.44Å; E345-K349 IonicContact OE1-NZ 2.88Å; E345-K349 PolarHBondContact OE1-NZ 3.04Å
346	Q	95	Very high	94.7	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.014	26%	0.264	C	S	.	.	H	α-helix	trans	-64.3	-44.5	173.5	-81.4	-69.6	-61.7	0	0	111.7	L283 L303 M307 F310 A342 Y343 R348 K349 S350	L283-Q346 HydrophobicContact CD2-CB 4.03Å; L283-Q346 HydrophobicContact CD2-CG 3.64Å; L303-Q346 VanDerWaalsContact C-NE2 3.35Å; L303-Q346 HydrophobicContact CB-CG 4.26Å; L303-Q346 HydrophobicContact CD2-CG 3.92Å; L303-Q346 HydrophobicContact CG-CG 4.49Å; L303-Q346 PolarHBondContact O-NE2 2.87Å; L303-Q346 PolarHBondContact O-OE1 3.38Å; M307-Q346 PolarHBondContact SD-OE1 3.06Å; F310-Q346 HydrophobicContact CD2-CB 4.04Å; F310-Q346 HydrophobicContact CE1-CB 4.47Å; F310-Q346 HydrophobicContact CE2-CB 3.89Å; F310-Q346 HydrophobicContact CG-CB 4.39Å; F310-Q346 HydrophobicContact CZ-CB 4.11Å; A342-Q346 PolarHBondContact O-N 2.8Å; Y343-Q346 PolarHBondContact O-N 3.38Å; Q346-R348 VanDerWaalsContact C-N 3.34Å; Q346-R348 PolarHBondContact O-N 2.75Å; Q346-K349 PolarHBondContact O-N 2.88Å; Q346-S350 PolarHBondContact O-N 2.94Å
347	H	97	Very high	95	Very high	16 Å²	16	57.1 Å²	57.1	7%	0.074	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-43.6	175.3	-179	-105.6	0	0	0	112.3	F310 Y343 Q344 K349 S350 R353 I356 H358	F310-H347 HydrophobicContact CZ-CB 4.02Å; Y343-H347 WeakPolarHBondContact O-CB 3.32Å; Y343-H347 PolarHBondContact O-N 3.34Å; Q344-H347 PolarHBondContact O-N 2.85Å; H347-K349 VanDerWaalsContact C-N 3.25Å; H347-K349 PolarHBondContact O-N 2.93Å; H347-S350 PolarHBondContact O-N 3.29Å; H347-S350 PolarHBondContact O-OG 3.43Å; H347-R353 WeakPolarHBondContact O-CB 3.48Å; H347-I356 PolarHBondContact CE1-O 3.41Å; H347-I356 PolarHBondContact NE2-O 2.9Å; H347-I356 VanDerWaalsContact NE2-O 3.14Å; H347-H358 AromaticContact CG-ND1 3.69Å; H347-H358 AromaticContact ND1-ND1 3.75Å
348	R	96.7	Very high	95.3	Very high	137 Å²	137	57.4 Å²	57.4	52%	0.517	28%	0.275	S	S	.	.	H	α-helix	trans	-62.7	-33.2	178.6	-170.8	-168.8	67.6	79	-1.6	112.6	Q344 E345 Q346 R353	Q344-R348 WeakPolarHBondContact O-CB 3.43Å; Q344-R348 PolarHBondContact O-N 2.78Å; E345-R348 PolarHBondContact O-N 3.25Å; E345-R348 IonicContact OE1-CZ 3.83Å; E345-R348 IonicContact OE1-NH2 2.89Å; E345-R348 PolarHBondContact OE1-NH2 3.07Å; E345-R348 IonicContact OE2-CZ 2.73Å; E345-R348 IonicContact OE2-NE 2.79Å; E345-R348 PolarHBondContact OE2-NE 2.74Å; E345-R348 IonicContact OE2-NH2 3.2Å; E345-R348 PolarHBondContact OE2-NH2 3.32Å; E345-R348 VanDerWaalsContact OE2-NH2 3.09Å; Q346-R348 VanDerWaalsContact C-N 3.34Å; Q346-R348 PolarHBondContact O-N 2.75Å; R348-R353 VanDerWaalsContact O-CD 3.25Å; R348-R353 WeakPolarHBondContact O-CD 3.5Å
349	K	94.9	Very high	95.5	Very high	118 Å²	118	55.2 Å²	55.2	51%	0.513	27%	0.265	S	S	.	.	H	α-helix	trans	-86.9	-14.4	179.9	-78.5	175.2	161	155.7	0	113.7	M307 E345 Q346 H347	M307-K349 HydrophobicContact CE-CB 3.43Å; M307-K349 VanDerWaalsContact CE-CB 3.43Å; E345-K349 HydrophobicContact CG-CD 4.38Å; E345-K349 WeakPolarHBondContact O-CB 3.4Å; E345-K349 PolarHBondContact O-N 2.96Å; E345-K349 VanDerWaalsContact O-N 3.15Å; E345-K349 VanDerWaalsContact OE1-CD 3.3Å; E345-K349 WeakPolarHBondContact OE1-CD 3.49Å; E345-K349 WeakPolarHBondContact OE1-CE 3.44Å; E345-K349 IonicContact OE1-NZ 2.88Å; E345-K349 PolarHBondContact OE1-NZ 3.04Å; Q346-K349 PolarHBondContact O-N 2.88Å; H347-K349 VanDerWaalsContact C-N 3.25Å; H347-K349 PolarHBondContact O-N 2.93Å
350	S	94.9	Very high	95.6	Very high	2 Å²	2	58 Å²	58	1%	0.014	28%	0.279	C	S	.	.	S	Bend	trans	-78	161.1	-179.5	76.8	0	0	0	0	112.4	E311 Q346 H347 F352 R353	E311-S350 WeakPolarHBondContact OE1-CA 3.44Å; Q346-S350 PolarHBondContact O-N 2.94Å; H347-S350 PolarHBondContact O-N 3.29Å; H347-S350 PolarHBondContact O-OG 3.43Å; S350-F352 PolarHBondContact O-N 3.13Å; S350-F352 PolarHBondContact OG-N 2.91Å; S350-R353 PolarHBondContact O-N 3.41Å
351	S	94	Very high	95.5	Very high	77 Å²	77	57.7 Å²	57.7	54%	0.538	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.2	169.7	51.8	0	0	0	0	113.2	E311	E311-S351 WeakPolarHBondContact OE1-CB 3.45Å; E311-S351 PolarHBondContact OE1-N 2.59Å; E311-S351 PolarHBondContact OE1-OG 3.3Å
352	F	95	Very high	95.3	Very high	26 Å²	26	54.7 Å²	54.7	11%	0.114	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-1.6	-177.2	-60.7	-63.7	0	0	0	115.2	E311 F314 M315 I318 S350 N354 T355 I356	E311-F352 HydrophobicContact CB-CD2 4.48Å; E311-F352 HydrophobicContact CB-CE2 3.93Å; E311-F352 HydrophobicContact CG-CD2 4.27Å; E311-F352 HydrophobicContact CG-CE2 4.15Å; E311-F352 WeakPolarHBondContact O-CE2 3.34Å; F314-F352 HydrophobicContact CB-CD2 3.8Å; F314-F352 HydrophobicContact CB-CE2 3.91Å; F314-F352 HydrophobicContact CB-CG 4.35Å; M315-F352 HydrophobicContact CE-CE2 4.47Å; M315-F352 HydrophobicContact CE-CZ 4.12Å; M315-F352 HydrophobicContact CG-CE2 4.03Å; M315-F352 HydrophobicContact CG-CZ 3.56Å; I318-F352 HydrophobicContact CD1-CD1 3.89Å; I318-F352 HydrophobicContact CD1-CE1 3.66Å; I318-F352 HydrophobicContact CD1-CZ 4.39Å; S350-F352 PolarHBondContact O-N 3.13Å; S350-F352 PolarHBondContact OG-N 2.91Å; F352-N354 PolarHBondContact O-N 3.3Å; F352-T355 PolarHBondContact O-N 2.73Å; F352-I356 HydrophobicContact CB-CB 4.44Å; F352-I356 HydrophobicContact CB-CD1 3.7Å; F352-I356 HydrophobicContact CB-CG1 3.97Å; F352-I356 HydrophobicContact CD1-CD1 4.31Å; F352-I356 HydrophobicContact CG-CD1 3.97Å; F352-I356 PolarHBondContact O-N 3.46Å
353	R	95.1	Very high	94.9	Very high	147 Å²	147	56.5 Å²	56.5	56%	0.555	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-29.1	-173.5	72.3	-175.7	-176.4	-148.9	-3.3	115.5	H347 R348 S350	H347-R353 WeakPolarHBondContact O-CB 3.48Å; R348-R353 VanDerWaalsContact O-CD 3.25Å; R348-R353 WeakPolarHBondContact O-CD 3.5Å; S350-R353 PolarHBondContact O-N 3.41Å
354	N	95.4	Very high	94.3	Very high	135 Å²	135	61.2 Å²	61.2	72%	0.722	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-15.8	-177.6	-68.8	-21.1	0	0	0	113	F352	F352-N354 PolarHBondContact O-N 3.3Å
355	T	93.8	Very high	93.6	Very high	99 Å²	99	60.3 Å²	60.3	61%	0.607	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-29.8	-174.2	-47.3	0	0	0	0	111.5	F352	F352-T355 PolarHBondContact O-N 2.73Å
356	I	96.8	Very high	93	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.031	29%	0.291	C	S	.	.	S	Bend	trans	-105.8	118.9	-178.2	-62.4	-176.5	0	0	0	109.5	F314 I318 V324 V326 H347 F352	F314-I356 HydrophobicContact CB-CD1 3.78Å; F314-I356 HydrophobicContact CD1-CD1 3.25Å; F314-I356 HydrophobicContact CD2-CD1 4.49Å; F314-I356 HydrophobicContact CE1-CD1 3.85Å; F314-I356 HydrophobicContact CE1-CG2 4.19Å; F314-I356 HydrophobicContact CG-CD1 3.6Å; I318-I356 HydrophobicContact CD1-CD1 4.31Å; V324-I356 HydrophobicContact CB-CD1 4.3Å; V324-I356 HydrophobicContact CB-CG1 4.4Å; V324-I356 HydrophobicContact CG1-CG2 4.45Å; V326-I356 HydrophobicContact CG2-CG2 3.81Å; H347-I356 PolarHBondContact CE1-O 3.41Å; H347-I356 PolarHBondContact NE2-O 2.9Å; H347-I356 VanDerWaalsContact NE2-O 3.14Å; F352-I356 HydrophobicContact CB-CB 4.44Å; F352-I356 HydrophobicContact CB-CD1 3.7Å; F352-I356 HydrophobicContact CB-CG1 3.97Å; F352-I356 HydrophobicContact CD1-CD1 4.31Å; F352-I356 HydrophobicContact CG-CD1 3.97Å; F352-I356 PolarHBondContact O-N 3.46Å
357	H	96.2	Very high	92.3	Very high	111 Å²	111	62.1 Å²	62.1	51%	0.514	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.6	174.4	-69.4	-87.4	0	0	0	110.2	V326 L385	V326-H357 PolarHBondContact N-O 3.01Å; H357-L385 HydrophobicContact CB-CD1 4.14Å; H357-L385 HydrophobicContact CB-CD2 4.11Å
358	H	97.1	Very high	91.4	Very high	37 Å²	37	69.1 Å²	69.1	17%	0.171	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	96.3	179	-167.5	169.8	0	0	0	110.4	N328 Y343 H347 I360	N328-H358 WeakPolarHBondContact CB-NE2 3.35Å; N328-H358 PolarHBondContact ND2-NE2 2.81Å; Y343-H358 AromaticContact CD1-CE1 3.95Å; Y343-H358 AromaticContact CD1-NE2 3.98Å; Y343-H358 AromaticContact CG-CE1 3.88Å; H347-H358 AromaticContact CG-ND1 3.69Å; H347-H358 AromaticContact ND1-ND1 3.75Å; H358-I360 WeakPolarHBondContact CD2-CD1 3.39Å; H358-I360 VanDerWaalsContact NE2-CD1 3.29Å; H358-I360 WeakPolarHBondContact NE2-CD1 3.39Å
359	I	96.8	Very high	90.1	Very high	17 Å²	17	66.2 Å²	66.2	9%	0.087	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	117.1	178.4	-58.8	167.2	0	0	0	108.6	V326 V327 N328 W377 Q381 I382 L385	V326-I359 PolarHBondContact O-N 3.24Å; V327-I359 HydrophobicContact CG2-CD1 4.3Å; N328-I359 PolarHBondContact N-O 2.65Å; I359-W377 HydrophobicContact CG2-CH2 4.16Å; I359-W377 HydrophobicContact CG2-CZ3 4.17Å; I359-Q381 HydrophobicContact CD1-CB 3.8Å; I359-Q381 HydrophobicContact CG1-CB 4.38Å; I359-I382 HydrophobicContact CD1-CG1 4.38Å; I359-L385 HydrophobicContact CD1-CD1 4.01Å
360	I	94.5	Very high	88.8	Confident	59 Å²	59	66.1 Å²	66.1	30%	0.303	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	123	174.9	-50.8	-57.2	0	0	0	108.9	N328 Q344 H358	N328-I360 HydrophobicContact CB-CD1 4.07Å; Q344-I360 HydrophobicContact CG-CD1 3.57Å; Q344-I360 HydrophobicContact CG-CG1 4.3Å; H358-I360 WeakPolarHBondContact CD2-CD1 3.39Å; H358-I360 VanDerWaalsContact NE2-CD1 3.29Å; H358-I360 WeakPolarHBondContact NE2-CD1 3.39Å
361	F	93.9	Very high	87.9	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.009	35%	0.35	C	S	.	.			trans	-144.2	96	-178.5	-174.7	-96.8	0	0	0	110.9	N328 L329 Y363 E366 W377 I378 I421	N328-F361 PolarHBondContact O-N 3.49Å; L329-F361 VanDerWaalsContact CA-O 3.25Å; L329-F361 WeakPolarHBondContact CA-O 3.34Å; L329-F361 HydrophobicContact CD2-CB 4.22Å; L329-F361 HydrophobicContact CD2-CD1 3.79Å; L329-F361 HydrophobicContact CD2-CG 4.46Å; F361-Y363 HydrophobicContact CE1-CD2 4.19Å; F361-Y363 PolarHBondContact O-N 2.69Å; F361-E366 HydrophobicContact CD2-CB 4.33Å; F361-E366 HydrophobicContact CD2-CG 3.98Å; F361-E366 HydrophobicContact CE1-CB 4.21Å; F361-E366 HydrophobicContact CE2-CB 3.74Å; F361-E366 HydrophobicContact CE2-CG 3.85Å; F361-E366 HydrophobicContact CG-CG 4.49Å; F361-E366 HydrophobicContact CZ-CB 3.67Å; F361-E366 HydrophobicContact CZ-CG 4.24Å; F361-W377 HydrophobicContact CD2-CE3 4.18Å; F361-W377 AromaticContact CD2-CZ3 4Å; F361-W377 HydrophobicContact CD2-CZ3 4Å; F361-W377 HydrophobicContact CE2-CE3 4.48Å; F361-I378 HydrophobicContact CB-CD1 4.01Å; F361-I378 HydrophobicContact CD1-CD1 3.79Å; F361-I378 HydrophobicContact CD2-CB 4.04Å; F361-I378 HydrophobicContact CD2-CD1 3.87Å; F361-I378 HydrophobicContact CD2-CG1 4.23Å; F361-I378 HydrophobicContact CE1-CD1 4.16Å; F361-I378 HydrophobicContact CE2-CB 3.92Å; F361-I378 HydrophobicContact CE2-CD1 4.22Å; F361-I378 HydrophobicContact CE2-CG2 4.17Å; F361-I378 HydrophobicContact CG-CD1 3.62Å; F361-I378 HydrophobicContact CG-CG1 4.43Å; F361-I378 HydrophobicContact CZ-CB 4.46Å; F361-I378 HydrophobicContact CZ-CD1 4.36Å; F361-I378 HydrophobicContact CZ-CG2 4.26Å; F361-I421 HydrophobicContact CE1-CD1 4.45Å
362	D	90	Very high	87.2	Confident	17 Å²	17	67.5 Å²	67.5	9%	0.091	36%	0.356	C	S	.	.			trans	-66.5	96	172.9	-179.6	-20.4	0	0	0	109.7	G331 C332 H364 S365 E366	G331-D362 VanDerWaalsContact CA-CG 3.49Å; G331-D362 WeakPolarHBondContact CA-OD2 3.21Å; C332-D362 PolarHBondContact N-OD2 2.82Å; D362-H364 VanDerWaalsContact C-N 3.27Å; D362-H364 PolarHBondContact O-N 2.92Å; D362-H364 PolarHBondContact OD1-N 2.78Å; D362-H364 VanDerWaalsContact OD1-N 3.13Å; D362-S365 PolarHBondContact O-N 3.47Å; D362-S365 PolarHBondContact OD1-N 2.96Å; D362-S365 WeakPolarHBondContact OD2-CB 3.11Å; D362-E366 WeakPolarHBondContact O-CB 3.19Å; D362-E366 VanDerWaalsContact O-CG 3.23Å; D362-E366 WeakPolarHBondContact O-CG 3.23Å; D362-E366 PolarHBondContact O-N 3.35Å
363	Y	87.1	Confident	86.8	Confident	46 Å²	46	74.4 Å²	74.4	18%	0.18	39%	0.386	C	S	.	.	H	α-helix	trans	-53.8	-40.3	-173.9	-179	-89.3	0	0	0	113.5	F361 L367 R417 A420 I421	F361-Y363 HydrophobicContact CE1-CD2 4.19Å; F361-Y363 PolarHBondContact O-N 2.69Å; Y363-L367 HydrophobicContact CD1-CD1 3.91Å; Y363-L367 HydrophobicContact CD2-CD1 4.14Å; Y363-L367 HydrophobicContact CE1-CD1 3.4Å; Y363-L367 VanDerWaalsContact CE1-CD1 3.4Å; Y363-L367 HydrophobicContact CE2-CD1 3.66Å; Y363-L367 HydrophobicContact CG-CD1 4.26Å; Y363-L367 WeakPolarHBondContact O-CB 3.5Å; Y363-L367 VanDerWaalsContact O-CG 3.25Å; Y363-L367 WeakPolarHBondContact O-CG 3.36Å; Y363-L367 PolarHBondContact O-N 3.37Å; Y363-R417 HydrophobicContact CD1-CB 4.28Å; Y363-R417 HydrophobicContact CD1-CG 3.57Å; Y363-R417 HydrophobicContact CD2-CB 4.42Å; Y363-R417 HydrophobicContact CE1-CG 3.98Å; Y363-R417 HydrophobicContact CG-CB 4.17Å; Y363-R417 HydrophobicContact CG-CG 3.89Å; Y363-A420 HydrophobicContact CE2-CB 4.03Å; Y363-A420 WeakPolarHBondContact OH-CB 3.3Å; Y363-I421 HydrophobicContact CD2-CD1 4.15Å; Y363-I421 HydrophobicContact CD2-CG1 4.25Å; Y363-I421 HydrophobicContact CE2-CD1 4.14Å; Y363-I421 HydrophobicContact CE2-CG1 4.36Å
364	H	83.1	Confident	86.3	Confident	100 Å²	100	67.6 Å²	67.6	46%	0.463	36%	0.36	S	S	.	.	H	α-helix	trans	-77.5	-44.2	-177.3	-75.1	-56.9	0	0	0	111.7	D362 Q368	D362-H364 VanDerWaalsContact C-N 3.27Å; D362-H364 PolarHBondContact O-N 2.92Å; D362-H364 PolarHBondContact OD1-N 2.78Å; D362-H364 VanDerWaalsContact OD1-N 3.13Å; H364-Q368 WeakPolarHBondContact O-CB 3.06Å; H364-Q368 VanDerWaalsContact O-CG 3.24Å; H364-Q368 WeakPolarHBondContact O-CG 3.41Å; H364-Q368 PolarHBondContact O-N 3.32Å; H364-Q368 VanDerWaalsContact O-N 3.14Å
365	S	82.6	Confident	85.9	Confident	58 Å²	58	63.6 Å²	63.6	41%	0.406	34%	0.339	S	S	.	.	H	α-helix	trans	-65.4	-44.7	178.6	-173	0	0	0	0	111.6	D362 Q368 S369	D362-S365 PolarHBondContact O-N 3.47Å; D362-S365 PolarHBondContact OD1-N 2.96Å; D362-S365 WeakPolarHBondContact OD2-CB 3.11Å; S365-Q368 PolarHBondContact O-N 3.16Å; S365-S369 VanDerWaalsContact O-CB 3.25Å; S365-S369 WeakPolarHBondContact O-CB 3.08Å; S365-S369 PolarHBondContact O-N 3.32Å; S365-S369 PolarHBondContact O-OG 3.16Å
366	E	83.4	Confident	85.7	Confident	39 Å²	39	63.7 Å²	63.7	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-67.6	-40.4	-177.2	-70.8	-66.9	151.8	0	0	112	F361 D362 K370 G371 S374	F361-E366 HydrophobicContact CD2-CB 4.33Å; F361-E366 HydrophobicContact CD2-CG 3.98Å; F361-E366 HydrophobicContact CE1-CB 4.21Å; F361-E366 HydrophobicContact CE2-CB 3.74Å; F361-E366 HydrophobicContact CE2-CG 3.85Å; F361-E366 HydrophobicContact CG-CG 4.49Å; F361-E366 HydrophobicContact CZ-CB 3.67Å; F361-E366 HydrophobicContact CZ-CG 4.24Å; D362-E366 WeakPolarHBondContact O-CB 3.19Å; D362-E366 VanDerWaalsContact O-CG 3.23Å; D362-E366 WeakPolarHBondContact O-CG 3.23Å; D362-E366 PolarHBondContact O-N 3.35Å; E366-K370 PolarHBondContact O-N 3.21Å; E366-K370 VanDerWaalsContact O-N 3.11Å; E366-K370 IonicContact OE1-NZ 3.97Å; E366-K370 PolarHBondContact OE1-NZ 2.74Å; E366-K370 VanDerWaalsContact OE1-NZ 3.09Å; E366-K370 WeakPolarHBondContact OE2-CD 3.41Å; E366-K370 IonicContact OE2-NZ 3.04Å; E366-K370 PolarHBondContact OE2-NZ 2.81Å; E366-G371 PolarHBondContact O-N 3.02Å; E366-S374 PolarHBondContact O-OG 3.24Å; E366-S374 WeakPolarHBondContact OE2-CB 3.46Å; E366-S374 PolarHBondContact OE2-OG 2.8Å
367	L	80.5	Confident	85.5	Confident	55 Å²	55	68.7 Å²	68.7	29%	0.288	35%	0.351	S	S	.	.	H	α-helix	trans	-71.4	-33.9	176.3	-72.5	-179.6	0	0	0	113.5	Y363 L375	Y363-L367 HydrophobicContact CD1-CD1 3.91Å; Y363-L367 HydrophobicContact CD2-CD1 4.14Å; Y363-L367 HydrophobicContact CE1-CD1 3.4Å; Y363-L367 VanDerWaalsContact CE1-CD1 3.4Å; Y363-L367 HydrophobicContact CE2-CD1 3.66Å; Y363-L367 HydrophobicContact CG-CD1 4.26Å; Y363-L367 WeakPolarHBondContact O-CB 3.5Å; Y363-L367 VanDerWaalsContact O-CG 3.25Å; Y363-L367 WeakPolarHBondContact O-CG 3.36Å; Y363-L367 PolarHBondContact O-N 3.37Å; L367-L375 HydrophobicContact CD2-CD1 4.14Å; L367-L375 HydrophobicContact CD2-CD2 3.9Å; L367-L375 HydrophobicContact CD2-CG 3.93Å
368	Q	78.2	Confident	85.4	Confident	163 Å²	163	63.4 Å²	63.4	76%	0.762	33%	0.327	S	S	*	.	H	α-helix	trans	-75.3	-37.2	177.4	-73.4	177.5	2.4	0	0	112.6	H364 S365	H364-Q368 WeakPolarHBondContact O-CB 3.06Å; H364-Q368 VanDerWaalsContact O-CG 3.24Å; H364-Q368 WeakPolarHBondContact O-CG 3.41Å; H364-Q368 PolarHBondContact O-N 3.32Å; H364-Q368 VanDerWaalsContact O-N 3.14Å; S365-Q368 PolarHBondContact O-N 3.16Å
369	S	69.2	Low	85.2	Confident	76 Å²	76	62.4 Å²	62.4	53%	0.531	32%	0.322	S	S	.	.	H	α-helix	trans	-87.2	-37.8	-172.4	60.2	0	0	0	0	114.3	S365	S365-S369 VanDerWaalsContact O-CB 3.25Å; S365-S369 WeakPolarHBondContact O-CB 3.08Å; S365-S369 PolarHBondContact O-N 3.32Å; S365-S369 PolarHBondContact O-OG 3.16Å
370	K	68.3	Low	85.1	Confident	117 Å²	117	65.6 Å²	65.6	51%	0.509	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-10.4	-168.1	-70.2	169.9	-164.3	158.4	0	113.8	E366 A372 K373 S374	E366-K370 PolarHBondContact O-N 3.21Å; E366-K370 VanDerWaalsContact O-N 3.11Å; E366-K370 IonicContact OE1-NZ 3.97Å; E366-K370 PolarHBondContact OE1-NZ 2.74Å; E366-K370 VanDerWaalsContact OE1-NZ 3.09Å; E366-K370 WeakPolarHBondContact OE2-CD 3.41Å; E366-K370 IonicContact OE2-NZ 3.04Å; E366-K370 PolarHBondContact OE2-NZ 2.81Å; K370-A372 PolarHBondContact O-N 2.89Å; K370-K373 PolarHBondContact O-N 2.79Å; K370-S374 WeakPolarHBondContact CB-OG 3.17Å; K370-S374 VanDerWaalsContact CD-OG 3.22Å; K370-S374 WeakPolarHBondContact CD-OG 3.34Å
371	G	75.7	Confident	85.2	Confident	27 Å²	27	64.7 Å²	64.7	28%	0.278	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	-119	174	0	0	0	0	0	113	E366 K373 S374	E366-G371 PolarHBondContact O-N 3.02Å; G371-K373 VanDerWaalsContact C-N 3.32Å; G371-K373 PolarHBondContact O-N 3.28Å; G371-S374 PolarHBondContact O-N 2.95Å
372	A	79.3	Confident	85.3	Confident	81 Å²	81	64.6 Å²	64.6	67%	0.669	33%	0.331	S	S	*	.	H	α-helix	trans	-62	-32.5	-176.8	0	0	0	0	0	114.2	K370 S374 L375 E376	K370-A372 PolarHBondContact O-N 2.89Å; A372-S374 VanDerWaalsContact C-N 3.32Å; A372-S374 PolarHBondContact O-N 3.01Å; A372-L375 PolarHBondContact O-N 2.89Å; A372-E376 PolarHBondContact O-N 3.37Å
373	K	85.5	Confident	85.7	Confident	171 Å²	171	65.3 Å²	65.3	74%	0.743	34%	0.337	S	S	*	.	H	α-helix	trans	-66.4	-33.9	-179.6	-69.7	-175.5	179	-178.9	0	112.4	K370 G371 E376 W377	K370-K373 PolarHBondContact O-N 2.79Å; G371-K373 VanDerWaalsContact C-N 3.32Å; G371-K373 PolarHBondContact O-N 3.28Å; K373-E376 PolarHBondContact O-N 3.16Å; K373-W377 PolarHBondContact O-N 3.43Å
374	S	85.2	Confident	86.1	Confident	3 Å²	3	70.2 Å²	70.2	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-71.7	-35.8	176.3	-71.6	0	0	0	0	112.6	E366 K370 G371 A372 E376 W377 I378	E366-S374 PolarHBondContact O-OG 3.24Å; E366-S374 WeakPolarHBondContact OE2-CB 3.46Å; E366-S374 PolarHBondContact OE2-OG 2.8Å; K370-S374 WeakPolarHBondContact CB-OG 3.17Å; K370-S374 VanDerWaalsContact CD-OG 3.22Å; K370-S374 WeakPolarHBondContact CD-OG 3.34Å; G371-S374 PolarHBondContact O-N 2.95Å; A372-S374 VanDerWaalsContact C-N 3.32Å; A372-S374 PolarHBondContact O-N 3.01Å; S374-E376 VanDerWaalsContact C-N 3.34Å; S374-W377 PolarHBondContact O-N 2.88Å; S374-I378 WeakPolarHBondContact O-CG2 3.1Å; S374-I378 PolarHBondContact O-N 3Å
375	L	86.9	Confident	86.7	Confident	52 Å²	52	66.2 Å²	66.2	27%	0.272	34%	0.337	S	S	.	.	H	α-helix	trans	-65.3	-39.9	173.2	-67.7	179.7	0	0	0	111.3	L367 A372 I378 N379 L424	L367-L375 HydrophobicContact CD2-CD1 4.14Å; L367-L375 HydrophobicContact CD2-CD2 3.9Å; L367-L375 HydrophobicContact CD2-CG 3.93Å; A372-L375 PolarHBondContact O-N 2.89Å; L375-I378 VanDerWaalsContact O-CG2 3.28Å; L375-I378 WeakPolarHBondContact O-CG2 3.25Å; L375-N379 VanDerWaalsContact O-CB 3.27Å; L375-N379 WeakPolarHBondContact O-CB 3.25Å; L375-N379 PolarHBondContact O-N 3.42Å; L375-N379 PolarHBondContact O-ND2 3.06Å; L375-L424 HydrophobicContact CD2-CD1 3.88Å
376	E	89.4	Confident	87.3	Confident	101 Å²	101	63.4 Å²	63.4	47%	0.472	32%	0.318	S	S	.	.	H	α-helix	trans	-63.3	-43.3	173.9	-176.6	54.8	-147.2	0	0	112	A372 K373 S374 N379 Q380	A372-E376 PolarHBondContact O-N 3.37Å; K373-E376 PolarHBondContact O-N 3.16Å; S374-E376 VanDerWaalsContact C-N 3.34Å; E376-N379 WeakPolarHBondContact O-CB 3.29Å; E376-N379 PolarHBondContact O-N 3.15Å; E376-Q380 WeakPolarHBondContact O-CG 3.46Å; E376-Q380 PolarHBondContact O-N 2.75Å; E376-Q380 PolarHBondContact OE1-NE2 2.98Å
377	W	92.5	Very high	87.9	Confident	111 Å²	111	66 Å²	66	42%	0.42	33%	0.333	S	S	.	.	H	α-helix	trans	-62.6	-47.2	177.6	177.7	85.6	0	0	0	112.7	I359 F361 K373 S374 N379 Q380 Q381	I359-W377 HydrophobicContact CG2-CH2 4.16Å; I359-W377 HydrophobicContact CG2-CZ3 4.17Å; F361-W377 HydrophobicContact CD2-CE3 4.18Å; F361-W377 AromaticContact CD2-CZ3 4Å; F361-W377 HydrophobicContact CD2-CZ3 4Å; F361-W377 HydrophobicContact CE2-CE3 4.48Å; K373-W377 PolarHBondContact O-N 3.43Å; S374-W377 PolarHBondContact O-N 2.88Å; W377-N379 VanDerWaalsContact C-N 3.33Å; W377-Q380 PolarHBondContact O-N 3.34Å; W377-Q381 HydrophobicContact CD2-CG 4.12Å; W377-Q381 HydrophobicContact CE3-CG 4.31Å; W377-Q381 HydrophobicContact CH2-CG 3.91Å; W377-Q381 HydrophobicContact CZ2-CG 3.69Å; W377-Q381 HydrophobicContact CZ3-CG 4.2Å; W377-Q381 WeakPolarHBondContact O-CG 2.98Å; W377-Q381 PolarHBondContact O-N 3.3Å
378	I	93.7	Very high	88.5	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-67.6	-36.9	179.4	-164.5	-178.6	0	0	0	110.9	V327 F361 S374 L375 Q380 Q381 I382 I421	V327-I378 HydrophobicContact CG1-CD1 3.99Å; F361-I378 HydrophobicContact CB-CD1 4.01Å; F361-I378 HydrophobicContact CD1-CD1 3.79Å; F361-I378 HydrophobicContact CD2-CB 4.04Å; F361-I378 HydrophobicContact CD2-CD1 3.87Å; F361-I378 HydrophobicContact CD2-CG1 4.23Å; F361-I378 HydrophobicContact CE1-CD1 4.16Å; F361-I378 HydrophobicContact CE2-CB 3.92Å; F361-I378 HydrophobicContact CE2-CD1 4.22Å; F361-I378 HydrophobicContact CE2-CG2 4.17Å; F361-I378 HydrophobicContact CG-CD1 3.62Å; F361-I378 HydrophobicContact CG-CG1 4.43Å; F361-I378 HydrophobicContact CZ-CB 4.46Å; F361-I378 HydrophobicContact CZ-CD1 4.36Å; F361-I378 HydrophobicContact CZ-CG2 4.26Å; S374-I378 WeakPolarHBondContact O-CG2 3.1Å; S374-I378 PolarHBondContact O-N 3Å; L375-I378 VanDerWaalsContact O-CG2 3.28Å; L375-I378 WeakPolarHBondContact O-CG2 3.25Å; I378-Q380 VanDerWaalsContact C-N 3.32Å; I378-Q380 PolarHBondContact O-N 3.22Å; I378-Q381 PolarHBondContact O-N 3.41Å; I378-I382 HydrophobicContact CD1-CD1 4.26Å; I378-I382 HydrophobicContact CG1-CD1 3.92Å; I378-I382 HydrophobicContact CG1-CG1 4.34Å; I378-I382 WeakPolarHBondContact O-CG1 3.06Å; I378-I382 PolarHBondContact O-N 2.74Å; I378-I421 HydrophobicContact CD1-CD1 4.22Å
379	N	94	Very high	89.4	Confident	15 Å²	15	63 Å²	63	8%	0.08	32%	0.321	C	S	.	.	H	α-helix	trans	-54.1	-50	171.1	-83	-18.7	0	0	0	110.6	L375 E376 W377 Q381 I382 S383 L424 Q428	L375-N379 VanDerWaalsContact O-CB 3.27Å; L375-N379 WeakPolarHBondContact O-CB 3.25Å; L375-N379 PolarHBondContact O-N 3.42Å; L375-N379 PolarHBondContact O-ND2 3.06Å; E376-N379 WeakPolarHBondContact O-CB 3.29Å; E376-N379 PolarHBondContact O-N 3.15Å; W377-N379 VanDerWaalsContact C-N 3.33Å; N379-Q381 PolarHBondContact O-N 3.45Å; N379-I382 PolarHBondContact O-N 2.98Å; N379-S383 WeakPolarHBondContact O-CB 3.38Å; N379-S383 PolarHBondContact O-N 3.48Å; N379-S383 PolarHBondContact O-OG 2.98Å; N379-S383 VanDerWaalsContact O-OG 3.1Å; N379-L424 WeakPolarHBondContact OD1-CD2 3.43Å; N379-L424 WeakPolarHBondContact OD1-CG 3.47Å; N379-Q428 PolarHBondContact ND2-OE1 3.16Å
380	Q	94.9	Very high	90.7	Very high	84 Å²	84	60.4 Å²	60.4	39%	0.393	31%	0.306	S	S	.	.	H	α-helix	trans	-62	-39.9	178.8	-70.7	172.4	16.8	0	0	113	E376 W377 I378 R384	E376-Q380 WeakPolarHBondContact O-CG 3.46Å; E376-Q380 PolarHBondContact O-N 2.75Å; E376-Q380 PolarHBondContact OE1-NE2 2.98Å; W377-Q380 PolarHBondContact O-N 3.34Å; I378-Q380 VanDerWaalsContact C-N 3.32Å; I378-Q380 PolarHBondContact O-N 3.22Å; Q380-R384 VanDerWaalsContact O-CG 3.27Å; Q380-R384 WeakPolarHBondContact O-CG 3.4Å; Q380-R384 PolarHBondContact O-N 3.02Å
381	Q	95.6	Very high	92.1	Very high	41 Å²	41	55.8 Å²	55.8	19%	0.192	29%	0.286	C	S	.	.	H	α-helix	trans	-65.9	-40.9	176.5	-63.1	-45.3	-59.1	0	0	112	I359 W377 I378 N379	I359-Q381 HydrophobicContact CD1-CB 3.8Å; I359-Q381 HydrophobicContact CG1-CB 4.38Å; W377-Q381 HydrophobicContact CD2-CG 4.12Å; W377-Q381 HydrophobicContact CE3-CG 4.31Å; W377-Q381 HydrophobicContact CH2-CG 3.91Å; W377-Q381 HydrophobicContact CZ2-CG 3.69Å; W377-Q381 HydrophobicContact CZ3-CG 4.2Å; W377-Q381 WeakPolarHBondContact O-CG 2.98Å; W377-Q381 PolarHBondContact O-N 3.3Å; I378-Q381 PolarHBondContact O-N 3.41Å; N379-Q381 PolarHBondContact O-N 3.45Å
382	I	97.3	Very high	93.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-70.3	-45.4	178.7	-68.6	172	0	0	0	110.8	V327 I359 I378 N379 R384 L385 T386 L407 I421 V425 I429	V327-I382 HydrophobicContact CG2-CD1 4.31Å; V327-I382 HydrophobicContact CG2-CG1 4.31Å; I359-I382 HydrophobicContact CD1-CG1 4.38Å; I378-I382 HydrophobicContact CD1-CD1 4.26Å; I378-I382 HydrophobicContact CG1-CD1 3.92Å; I378-I382 HydrophobicContact CG1-CG1 4.34Å; I378-I382 WeakPolarHBondContact O-CG1 3.06Å; I378-I382 PolarHBondContact O-N 2.74Å; N379-I382 PolarHBondContact O-N 2.98Å; I382-R384 VanDerWaalsContact C-N 3.31Å; I382-R384 PolarHBondContact O-N 3.5Å; I382-L385 WeakPolarHBondContact O-CB 3.31Å; I382-L385 PolarHBondContact O-N 2.89Å; I382-T386 HydrophobicContact CG2-CG2 3.79Å; I382-T386 WeakPolarHBondContact O-CG2 3.41Å; I382-T386 PolarHBondContact O-N 2.85Å; I382-T386 PolarHBondContact O-OG1 3.25Å; I382-L407 HydrophobicContact CG2-CD1 3.51Å; I382-L407 HydrophobicContact CG2-CD2 4.22Å; I382-L407 HydrophobicContact CG2-CG 4.45Å; I382-I421 HydrophobicContact CD1-CG2 4.32Å; I382-V425 HydrophobicContact CD1-CG2 3.83Å; I382-V425 HydrophobicContact CG2-CG1 4.49Å; I382-V425 HydrophobicContact CG2-CG2 4.05Å; I382-I429 HydrophobicContact CB-CD1 3.86Å; I382-I429 HydrophobicContact CG2-CD1 3.54Å
383	S	97	Very high	94.1	Very high	32 Å²	32	51.6 Å²	51.6	22%	0.224	24%	0.244	C	C	.	.	H	α-helix	trans	-53.7	-47.2	178.6	-72.5	0	0	0	0	111.4	N379 L385 T386 D387	N379-S383 WeakPolarHBondContact O-CB 3.38Å; N379-S383 PolarHBondContact O-N 3.48Å; N379-S383 PolarHBondContact O-OG 2.98Å; N379-S383 VanDerWaalsContact O-OG 3.1Å; S383-L385 PolarHBondContact O-N 3.14Å; S383-L385 VanDerWaalsContact O-N 3.07Å; S383-T386 WeakPolarHBondContact CA-OG1 3.03Å; S383-T386 PolarHBondContact O-N 3.37Å; S383-T386 VanDerWaalsContact O-N 3.08Å; S383-T386 PolarHBondContact O-OG1 3.28Å; S383-D387 VanDerWaalsContact O-CB 3.29Å; S383-D387 WeakPolarHBondContact O-CB 3.48Å; S383-D387 PolarHBondContact O-N 3.28Å
384	R	95.2	Very high	94.6	Very high	148 Å²	148	43.5 Å²	43.5	56%	0.558	21%	0.21	S	C	*	.	H	α-helix	trans	-51.3	-36	176.2	-73.8	168.8	-174	-178.8	-2.9	113.9	Q380 I382	Q380-R384 VanDerWaalsContact O-CG 3.27Å; Q380-R384 WeakPolarHBondContact O-CG 3.4Å; Q380-R384 PolarHBondContact O-N 3.02Å; I382-R384 VanDerWaalsContact C-N 3.31Å; I382-R384 PolarHBondContact O-N 3.5Å
385	L	95.9	Very high	95	Very high	16 Å²	16	46.9 Å²	46.9	8%	0.084	23%	0.228	C	C	.	.	H	α-helix	trans	-81.3	-47.9	178.1	-58.8	178	0	0	0	111.1	H357 I359 I382 S383 D387 D388 W389 L407	H357-L385 HydrophobicContact CB-CD1 4.14Å; H357-L385 HydrophobicContact CB-CD2 4.11Å; I359-L385 HydrophobicContact CD1-CD1 4.01Å; I382-L385 WeakPolarHBondContact O-CB 3.31Å; I382-L385 PolarHBondContact O-N 2.89Å; S383-L385 PolarHBondContact O-N 3.14Å; S383-L385 VanDerWaalsContact O-N 3.07Å; L385-D387 VanDerWaalsContact C-N 3.32Å; L385-D387 PolarHBondContact O-N 3.07Å; L385-D388 PolarHBondContact O-N 3.08Å; L385-W389 HydrophobicContact CB-CD2 4.47Å; L385-W389 HydrophobicContact CB-CE3 4.29Å; L385-W389 HydrophobicContact CB-CH2 3.58Å; L385-W389 HydrophobicContact CB-CZ2 3.79Å; L385-W389 HydrophobicContact CB-CZ3 3.85Å; L385-W389 HydrophobicContact CD1-CH2 3.96Å; L385-W389 HydrophobicContact CD1-CZ2 4.49Å; L385-W389 HydrophobicContact CD2-CZ2 4.24Å; L385-W389 HydrophobicContact CG-CH2 4.22Å; L385-W389 HydrophobicContact CG-CZ2 4.39Å; L385-W389 VanDerWaalsContact O-CG 3.22Å; L385-W389 PolarHBondContact O-N 2.86Å; L385-L407 HydrophobicContact CD1-CD2 4.39Å
386	T	96.2	Very high	95.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-73.7	-19.9	-175.1	62.9	0	0	0	0	114.4	Y274 I382 S383 W389 G390 L407	Y274-T386 VanDerWaalsContact OH-CG2 3.28Å; Y274-T386 WeakPolarHBondContact OH-CG2 3.41Å; I382-T386 HydrophobicContact CG2-CG2 3.79Å; I382-T386 WeakPolarHBondContact O-CG2 3.41Å; I382-T386 PolarHBondContact O-N 2.85Å; I382-T386 PolarHBondContact O-OG1 3.25Å; S383-T386 WeakPolarHBondContact CA-OG1 3.03Å; S383-T386 PolarHBondContact O-N 3.37Å; S383-T386 VanDerWaalsContact O-N 3.08Å; S383-T386 PolarHBondContact O-OG1 3.28Å; T386-W389 HydrophobicContact CG2-CE3 4.47Å; T386-G390 PolarHBondContact O-N 3.3Å; T386-G390 VanDerWaalsContact O-N 3.15Å; T386-L407 HydrophobicContact CG2-CD1 4.17Å; T386-L407 HydrophobicContact CG2-CG 4.36Å
387	D	96.1	Very high	94.9	Very high	94 Å²	94	50.7 Å²	50.7	50%	0.503	26%	0.255	S	S	.	.	H	α-helix	trans	-67.2	-41.2	174	-69.5	-20.5	0	0	0	110.2	S383 L385 K433	S383-D387 VanDerWaalsContact O-CB 3.29Å; S383-D387 WeakPolarHBondContact O-CB 3.48Å; S383-D387 PolarHBondContact O-N 3.28Å; L385-D387 VanDerWaalsContact C-N 3.32Å; L385-D387 PolarHBondContact O-N 3.07Å; D387-K433 WeakPolarHBondContact OD1-CE 3.3Å; D387-K433 IonicContact OD1-NZ 2.91Å; D387-K433 PolarHBondContact OD1-NZ 2.81Å
388	D	93.7	Very high	94.9	Very high	133 Å²	133	51.8 Å²	51.8	71%	0.711	27%	0.265	S	S	*	.	H	α-helix	trans	-73.2	-31.7	177	-68.7	-11.7	0	0	0	112.7	L385	L385-D388 PolarHBondContact O-N 3.08Å
389	W	97.1	Very high	94.9	Very high	20 Å²	20	54.4 Å²	54.4	8%	0.076	28%	0.281	C	S	.	.	H	α-helix	trans	-87.5	-18.2	-175.1	-57.9	-19.7	0	0	0	114.7	L385 T386 Q403 T404 V406 L407	L385-W389 HydrophobicContact CB-CD2 4.47Å; L385-W389 HydrophobicContact CB-CE3 4.29Å; L385-W389 HydrophobicContact CB-CH2 3.58Å; L385-W389 HydrophobicContact CB-CZ2 3.79Å; L385-W389 HydrophobicContact CB-CZ3 3.85Å; L385-W389 HydrophobicContact CD1-CH2 3.96Å; L385-W389 HydrophobicContact CD1-CZ2 4.49Å; L385-W389 HydrophobicContact CD2-CZ2 4.24Å; L385-W389 HydrophobicContact CG-CH2 4.22Å; L385-W389 HydrophobicContact CG-CZ2 4.39Å; L385-W389 VanDerWaalsContact O-CG 3.22Å; L385-W389 PolarHBondContact O-N 2.86Å; T386-W389 HydrophobicContact CG2-CE3 4.47Å; W389-Q403 WeakPolarHBondContact O-CA 3.26Å; W389-T404 WeakPolarHBondContact CA-OG1 3.39Å; W389-T404 PolarHBondContact O-N 2.96Å; W389-T404 PolarHBondContact O-OG1 3.29Å; W389-V406 WeakPolarHBondContact CZ3-O 3.43Å; W389-L407 HydrophobicContact CH2-CD2 4.45Å; W389-L407 HydrophobicContact CZ3-CD2 3.94Å; W389-L407 HydrophobicContact CZ3-CG 4.28Å
390	G	96.1	Very high	95	Very high	22 Å²	22	58.6 Å²	58.6	23%	0.227	30%	0.3	C	S	.	.			trans	61.5	-155.2	-178.3	0	0	0	0	0	114.3	T386	T386-G390 PolarHBondContact O-N 3.3Å; T386-G390 VanDerWaalsContact O-N 3.15Å
391	Y	97.7	Very high	95.1	Very high	20 Å²	20	57.9 Å²	57.9	8%	0.078	30%	0.298	C	S	.	.			trans	-152.2	168.3	-179.5	60	-80.1	0	0	0	108.3	L401 C402 K433 M434 S437	Y391-L401 HydrophobicContact CE1-CD1 4.17Å; Y391-L401 HydrophobicContact CE2-CD1 4.18Å; Y391-L401 CarbonylContact O-C 3.6Å; Y391-L401 VanDerWaalsContact O-CB 3.29Å; Y391-L401 WeakPolarHBondContact O-CB 3.48Å; Y391-C402 CarbonylContact O-C 3.5Å; Y391-K433 HydrophobicContact CD1-CB 4.1Å; Y391-K433 HydrophobicContact CD1-CD 4.47Å; Y391-K433 HydrophobicContact CE1-CB 3.57Å; Y391-K433 HydrophobicContact CE1-CD 4.43Å; Y391-K433 PolarHBondContact OH-O 3.13Å; Y391-M434 HydrophobicContact CD2-CG 3.97Å; Y391-M434 HydrophobicContact CE2-CG 4.23Å; Y391-S437 WeakPolarHBondContact OH-CB 3.2Å; Y391-S437 PolarHBondContact OH-OG 2.79Å
392	F	98.2	Very high	95.1	Very high	3 Å²	3	58.1 Å²	58.1	1%	0.013	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	134	179.1	-178.1	-102.9	0	0	0	111.3	I160 Q161 V271 S272 S273 A394 V399 L401	I160-F392 HydrophobicContact CG2-CD1 4Å; I160-F392 HydrophobicContact CG2-CE1 3.6Å; Q161-F392 HydrophobicContact CB-CB 4.25Å; Q161-F392 HydrophobicContact CB-CD2 3.6Å; Q161-F392 HydrophobicContact CB-CE2 4.04Å; Q161-F392 HydrophobicContact CB-CG 3.86Å; Q161-F392 HydrophobicContact CG-CD2 3.59Å; Q161-F392 HydrophobicContact CG-CE2 3.99Å; Q161-F392 HydrophobicContact CG-CG 4.31Å; V271-F392 HydrophobicContact CG1-CE1 4.11Å; S272-F392 CarbonylContact C-O 3.57Å; S272-F392 WeakPolarHBondContact CA-O 3.47Å; S273-F392 PolarHBondContact N-O 2.99Å; S273-F392 PolarHBondContact O-N 3.49Å; F392-A394 HydrophobicContact CE1-CB 3.91Å; F392-A394 HydrophobicContact CZ-CB 3.71Å; F392-V399 HydrophobicContact CD2-CG1 4.31Å; F392-V399 HydrophobicContact CE2-CB 4.46Å; F392-V399 HydrophobicContact CE2-CG1 3.64Å; F392-V399 HydrophobicContact CE2-CG2 4Å; F392-V399 HydrophobicContact CZ-CG1 4.4Å; F392-V399 HydrophobicContact CZ-CG2 4.13Å; F392-L401 WeakPolarHBondContact CA-O 3.38Å; F392-L401 WeakPolarHBondContact CD2-O 3.37Å
393	Y	98.2	Very high	95.2	Very high	17 Å²	17	58.5 Å²	58.5	7%	0.067	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	130.7	170.5	176.2	-119.3	0	0	0	110.4	S270 V271 E400 L401 S437 L438	S270-Y393 PolarHBondContact OG-OH 2.88Å; V271-Y393 WeakPolarHBondContact O-CA 3.35Å; V271-Y393 WeakPolarHBondContact O-CD2 3.49Å; Y393-E400 HydrophobicContact CD1-CB 3.74Å; Y393-E400 HydrophobicContact CD1-CG 4.31Å; Y393-E400 HydrophobicContact CE1-CB 4.21Å; Y393-E400 HydrophobicContact CE1-CG 4.28Å; Y393-E400 VanDerWaalsContact CE1-OE2 3.24Å; Y393-E400 WeakPolarHBondContact CE1-OE2 3.47Å; Y393-E400 PolarHBondContact O-N 2.99Å; Y393-L401 PolarHBondContact N-O 2.96Å; Y393-L401 PolarHBondContact O-N 2.84Å; Y393-L401 VanDerWaalsContact O-N 3.08Å; Y393-S437 PolarHBondContact OH-O 2.75Å; Y393-L438 HydrophobicContact CD2-CD2 4.42Å; Y393-L438 HydrophobicContact CE2-CD2 3.85Å
394	A	96.3	Very high	95.2	Very high	2 Å²	2	59.2 Å²	59.2	2%	0.017	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	142.6	173.6	0	0	0	0	0	110.7	S270 V271 F392 Q398 V399	S270-A394 CarbonylContact C-O 3.45Å; S270-A394 WeakPolarHBondContact CA-O 3.37Å; V271-A394 HydrophobicContact CG1-CB 4.11Å; V271-A394 PolarHBondContact N-O 2.87Å; V271-A394 PolarHBondContact O-N 2.82Å; F392-A394 HydrophobicContact CE1-CB 3.91Å; F392-A394 HydrophobicContact CZ-CB 3.71Å; A394-Q398 CarbonylContact C-O 3.44Å; A394-Q398 VanDerWaalsContact CA-O 3.22Å; A394-Q398 WeakPolarHBondContact CA-O 3.25Å; A394-Q398 WeakPolarHBondContact CB-O 3.42Å; A394-V399 HydrophobicContact CB-CG2 4.36Å
395	N	93.3	Very high	95.3	Very high	74 Å²	74	52.2 Å²	52.2	40%	0.396	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	106.2	172.7	-171.3	17.1	0	0	0	109.3	S270 Q397 Q398	S270-N395 PolarHBondContact OG-OD1 2.88Å; N395-Q397 PolarHBondContact O-N 3.32Å; N395-Q398 PolarHBondContact N-O 3.2Å; N395-Q398 PolarHBondContact O-N 3.39Å
396	G	88.2	Confident	95.4	Very high	42 Å²	42	51.4 Å²	51.4	43%	0.433	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	-121.3	-167.2	0	0	0	0	0	110.9	D269	D269-G396 WeakPolarHBondContact O-CA 3.46Å; D269-G396 PolarHBondContact O-N 3.39Å
397	Q	85.7	Confident	95.5	Very high	191 Å²	191	51.4 Å²	51.4	89%	0.893	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-9.7	177.7	-66.5	-178.1	-14.3	0	0	113.4	N395 V399	N395-Q397 PolarHBondContact O-N 3.32Å; Q397-V399 PolarHBondContact O-N 3.42Å
398	Q	92.5	Very high	95.6	Very high	133 Å²	133	47 Å²	47	62%	0.621	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	113.3	-178.2	-174.8	173.8	0	0	0	110.2	A394 N395	A394-Q398 CarbonylContact C-O 3.44Å; A394-Q398 VanDerWaalsContact CA-O 3.22Å; A394-Q398 WeakPolarHBondContact CA-O 3.25Å; A394-Q398 WeakPolarHBondContact CB-O 3.42Å; N395-Q398 PolarHBondContact N-O 3.2Å; N395-Q398 PolarHBondContact O-N 3.39Å
399	V	94.2	Very high	95.8	Very high	56 Å²	56	40.6 Å²	40.6	34%	0.339	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	122.9	172	-178.9	0	0	0	0	109	S164 F392 A394 Q397 C402	S164-V399 WeakPolarHBondContact OG-CG2 3.33Å; F392-V399 HydrophobicContact CD2-CG1 4.31Å; F392-V399 HydrophobicContact CE2-CB 4.46Å; F392-V399 HydrophobicContact CE2-CG1 3.64Å; F392-V399 HydrophobicContact CE2-CG2 4Å; F392-V399 HydrophobicContact CZ-CG1 4.4Å; F392-V399 HydrophobicContact CZ-CG2 4.13Å; A394-V399 HydrophobicContact CB-CG2 4.36Å; Q397-V399 PolarHBondContact O-N 3.42Å; V399-C402 VanDerWaalsContact CG1-SG 3.6Å
400	E	95.6	Very high	95.7	Very high	103 Å²	103	39.7 Å²	39.7	48%	0.481	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-35.5	179.4	-71.6	-172.4	-154.8	0	0	112.4	Y393	Y393-E400 HydrophobicContact CD1-CB 3.74Å; Y393-E400 HydrophobicContact CD1-CG 4.31Å; Y393-E400 HydrophobicContact CE1-CB 4.21Å; Y393-E400 HydrophobicContact CE1-CG 4.28Å; Y393-E400 VanDerWaalsContact CE1-OE2 3.24Å; Y393-E400 WeakPolarHBondContact CE1-OE2 3.47Å; Y393-E400 PolarHBondContact O-N 2.99Å
401	L	97	Very high	95.4	Very high	68 Å²	68	38.7 Å²	38.7	36%	0.356	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.9	177.7	-58.3	172.1	0	0	0	110.4	Y391 F392 Y393	Y391-L401 HydrophobicContact CE1-CD1 4.17Å; Y391-L401 HydrophobicContact CE2-CD1 4.18Å; Y391-L401 CarbonylContact O-C 3.6Å; Y391-L401 VanDerWaalsContact O-CB 3.29Å; Y391-L401 WeakPolarHBondContact O-CB 3.48Å; F392-L401 WeakPolarHBondContact CA-O 3.38Å; F392-L401 WeakPolarHBondContact CD2-O 3.37Å; Y393-L401 PolarHBondContact N-O 2.96Å; Y393-L401 PolarHBondContact O-N 2.84Å; Y393-L401 VanDerWaalsContact O-N 3.08Å
402	C	96.8	Very high	94.9	Very high	46 Å²	46	38.2 Å²	38.2	31%	0.311	21%	0.206	S	C	.	.			trans	-119	137.7	173.3	-72.1	0	0	0	0	109.9	Y391 V399	Y391-C402 CarbonylContact O-C 3.5Å; V399-C402 VanDerWaalsContact CG1-SG 3.6Å
403	Q	97.8	Very high	93.9	Very high	9 Å²	9	39.4 Å²	39.4	4%	0.042	21%	0.212	C	C	.	.			trans	-73.6	125.3	164.9	-174.4	175.9	-12	0	0	109.5	Q161 Y274 I275 W389 G405	Q161-Q403 PolarHBondContact NE2-O 3.18Å; Y274-Q403 HydrophobicContact CD2-CG 4.42Å; Y274-Q403 HydrophobicContact CE2-CG 4.35Å; I275-Q403 PolarHBondContact O-NE2 3.42Å; W389-Q403 WeakPolarHBondContact O-CA 3.26Å; Q403-G405 VanDerWaalsContact CG-O 3.31Å; Q403-G405 WeakPolarHBondContact CG-O 3.25Å; Q403-G405 PolarHBondContact NE2-O 3.32Å
404	T	97.1	Very high	93.2	Very high	47 Å²	47	38.6 Å²	38.6	29%	0.288	21%	0.209	S	C	.	.			trans	-114.7	6.7	-175.7	60.7	0	0	0	0	114.2	Y321 S323 W389	Y321-T404 CarbonylContact O-C 3.59Å; S323-T404 PolarHBondContact N-O 3.29Å; W389-T404 WeakPolarHBondContact CA-OG1 3.39Å; W389-T404 PolarHBondContact O-N 2.96Å; W389-T404 PolarHBondContact O-OG1 3.29Å
405	G	97.9	Very high	92.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	167	176.3	0	0	0	0	0	113.7	Y321 S323 Q403	Y321-G405 WeakPolarHBondContact O-CA 3.43Å; Y321-G405 PolarHBondContact O-N 3.22Å; S323-G405 CarbonylContact O-C 3.54Å; S323-G405 WeakPolarHBondContact O-CA 3.31Å; Q403-G405 VanDerWaalsContact CG-O 3.31Å; Q403-G405 WeakPolarHBondContact CG-O 3.25Å; Q403-G405 PolarHBondContact NE2-O 3.32Å
406	V	98.3	Very high	92.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	146.1	-172.1	75.8	0	0	0	0	113	I275 V277 Y321 S323 V324 G325 W389	I275-V406 HydrophobicContact CG2-CG2 4.46Å; V277-V406 HydrophobicContact CB-CG2 4.4Å; V277-V406 HydrophobicContact CG1-CG2 4.02Å; V277-V406 HydrophobicContact CG2-CG1 4.06Å; V277-V406 HydrophobicContact CG2-CG2 3.95Å; Y321-V406 VanDerWaalsContact CB-CG1 3.48Å; Y321-V406 HydrophobicContact CD2-CG1 4.15Å; Y321-V406 HydrophobicContact CG-CB 4.25Å; Y321-V406 HydrophobicContact CG-CG1 3.86Å; S323-V406 PolarHBondContact O-N 3.38Å; V324-V406 HydrophobicContact CG2-CG1 4.4Å; G325-V406 PolarHBondContact N-O 3.28Å; W389-V406 WeakPolarHBondContact CZ3-O 3.43Å
407	L	98.5	Very high	92.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	130.8	167	-63.3	170.9	0	0	0	110.3	V277 G325 V327 I382 L385 T386 W389 I409 V425	V277-L407 WeakPolarHBondContact CG2-O 3.46Å; V277-L407 PolarHBondContact N-O 3.14Å; G325-L407 CarbonylContact O-C 3.58Å; G325-L407 WeakPolarHBondContact O-CA 3.28Å; V327-L407 HydrophobicContact CG2-CD2 4.27Å; I382-L407 HydrophobicContact CG2-CD1 3.51Å; I382-L407 HydrophobicContact CG2-CD2 4.22Å; I382-L407 HydrophobicContact CG2-CG 4.45Å; L385-L407 HydrophobicContact CD1-CD2 4.39Å; T386-L407 HydrophobicContact CG2-CD1 4.17Å; T386-L407 HydrophobicContact CG2-CG 4.36Å; W389-L407 HydrophobicContact CH2-CD2 4.45Å; W389-L407 HydrophobicContact CZ3-CD2 3.94Å; W389-L407 HydrophobicContact CZ3-CG 4.28Å; L407-I409 HydrophobicContact CB-CD1 4.35Å; L407-I409 HydrophobicContact CB-CG1 4.16Å; L407-V425 HydrophobicContact CD1-CB 4.47Å; L407-V425 HydrophobicContact CD1-CG1 3.83Å; L407-V425 HydrophobicContact CD1-CG2 3.88Å
408	R	97.6	Very high	92.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	98	172.9	-175.6	-112.7	162.2	-97	-0.2	111.1	V277 G279 T280 L317 V324 G325 V326 V327 N410	V277-R408 HydrophobicContact CG2-CB 3.94Å; V277-R408 HydrophobicContact CG2-CG 4.18Å; V277-R408 WeakPolarHBondContact O-CA 3.44Å; G279-R408 PolarHBondContact O-NH2 3Å; T280-R408 PolarHBondContact O-NH2 3.16Å; L317-R408 HydrophobicContact CD1-CB 4.29Å; L317-R408 HydrophobicContact CD1-CG 3.96Å; V324-R408 HydrophobicContact CG1-CB 4.21Å; G325-R408 PolarHBondContact O-N 2.82Å; V326-R408 WeakPolarHBondContact CA-O 3.25Å; V327-R408 PolarHBondContact N-O 2.74Å; V327-R408 VanDerWaalsContact N-O 3.13Å; R408-N410 VanDerWaalsContact NH1-CG 3.33Å; R408-N410 PolarHBondContact NH1-OD1 3.14Å
409	I	97.9	Very high	92.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	133.7	-169.7	-49.9	173.2	0	0	0	110.5	V277 R278 G279 V327 L329 L407 T418 I421 E422	V277-I409 PolarHBondContact O-N 2.6Å; R278-I409 VanDerWaalsContact CA-O 3.25Å; R278-I409 WeakPolarHBondContact CA-O 3.35Å; R278-I409 VanDerWaalsContact CB-O 3.28Å; R278-I409 WeakPolarHBondContact CB-O 3.32Å; G279-I409 PolarHBondContact N-O 3.02Å; V327-I409 HydrophobicContact CB-CG1 4.12Å; V327-I409 HydrophobicContact CB-CG2 4.26Å; V327-I409 HydrophobicContact CG2-CG1 4.37Å; V327-I409 WeakPolarHBondContact O-CA 3.27Å; L329-I409 HydrophobicContact CD1-CG2 3.76Å; L329-I409 HydrophobicContact CG-CG2 4.2Å; L407-I409 HydrophobicContact CB-CD1 4.35Å; L407-I409 HydrophobicContact CB-CG1 4.16Å; I409-T418 HydrophobicContact CG2-CG2 3.97Å; I409-I421 HydrophobicContact CD1-CG2 4.14Å; I409-I421 HydrophobicContact CG2-CG2 4.49Å; I409-E422 HydrophobicContact CD1-CG 3.61Å
410	N	95.4	Very high	92.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	156.6	170.5	58.9	-75.7	0	0	0	113.5	G279 V327 N328 L329 R408 T418	G279-N410 VanDerWaalsContact O-CB 3.25Å; G279-N410 WeakPolarHBondContact O-CB 3.34Å; V327-N410 PolarHBondContact O-N 2.84Å; V327-N410 PolarHBondContact O-OD1 2.9Å; N328-N410 PolarHBondContact OD1-ND2 3.22Å; L329-N410 WeakPolarHBondContact CA-O 3.28Å; L329-N410 WeakPolarHBondContact CB-O 3.37Å; L329-N410 VanDerWaalsContact CG-O 3.28Å; L329-N410 WeakPolarHBondContact CG-O 3.08Å; L329-N410 PolarHBondContact N-O 3.31Å; R408-N410 VanDerWaalsContact NH1-CG 3.33Å; R408-N410 PolarHBondContact NH1-OD1 3.14Å; N410-T418 VanDerWaalsContact C-CG2 3.46Å
411	C	89.6	Confident	92.5	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.014	9%	0.094	C	C	.	.			trans	-137.2	-173.3	150.2	74.3	0	0	0	0	108.4	L329 D413 C414 R417 T418	L329-C411 HydrophobicContact CB-CB 4Å; C411-D413 VanDerWaalsContact C-N 3.29Å; C411-D413 PolarHBondContact O-N 3.47Å; C411-C414 PolarHBondContact O-N 3.37Å; C411-C414 VanDerWaalsContact SG-CA 3.5Å; C411-C414 PolarHBondContact SG-N 3.42Å; C411-R417 HydrophobicContact CB-CB 4.01Å; C411-T418 HydrophobicContact CB-CG2 4.08Å
412	V	86	Confident	92.5	Very high	9 Å²	9	13 Å²	13	6%	0.055	8%	0.077	C	C	.	.	S	Bend	trans	-59.1	-41.3	-179.2	77.8	0	0	0	0	112.3	R247 W285 I297 L330 E336	R247-V412 PolarHBondContact NH1-O 3.18Å; W285-V412 HydrophobicContact CH2-CG2 3.96Å; W285-V412 HydrophobicContact CZ3-CG2 4.34Å; I297-V412 HydrophobicContact CD1-CG2 3.63Å; L330-V412 HydrophobicContact CD2-CB 3.99Å; E336-V412 HydrophobicContact CG-CB 4.22Å; E336-V412 HydrophobicContact CG-CG2 4.38Å; E336-V412 VanDerWaalsContact OE1-CG1 3.31Å; E336-V412 WeakPolarHBondContact OE1-CG1 3.28Å
413	D	77.9	Confident	92.5	Very high	28 Å²	28	12.1 Å²	12.1	15%	0.15	7%	0.07	C	C	.	.	S	Bend	trans	-99.1	-19.3	-178.1	-66.4	-43.8	0	0	0	113.1	R243 R247 N257 C411 L415 Y471	R243-D413 IonicContact CZ-OD1 2.75Å; R243-D413 IonicContact CZ-OD2 3.46Å; R243-D413 IonicContact NE-OD1 3.91Å; R243-D413 PolarHBondContact NE-OD1 2.82Å; R243-D413 IonicContact NE-OD2 3.13Å; R243-D413 IonicContact NH2-OD1 3.95Å; R243-D413 PolarHBondContact NH2-OD1 2.77Å; R243-D413 IonicContact NH2-OD2 3.62Å; R243-D413 PolarHBondContact NH2-OD2 3.05Å; R247-D413 IonicContact CZ-OD1 3.96Å; R247-D413 IonicContact NH1-OD1 3.48Å; R247-D413 IonicContact NH2-OD1 3.92Å; R247-D413 PolarHBondContact NH2-OD1 2.78Å; N257-D413 PolarHBondContact ND2-O 2.85Å; C411-D413 VanDerWaalsContact C-N 3.29Å; C411-D413 PolarHBondContact O-N 3.47Å; D413-L415 VanDerWaalsContact C-N 3.29Å; D413-L415 HydrophobicContact CB-CB 4.33Å; D413-L415 HydrophobicContact CB-CD1 4.24Å; D413-L415 HydrophobicContact CB-CG 4.09Å; D413-L415 PolarHBondContact O-N 2.9Å; D413-Y471 WeakPolarHBondContact O-CE1 3.42Å
414	C	83	Confident	92.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	55.5	42.6	-171.7	-151.4	0	0	0	0	112.6	N257 G279 C411 T418	N257-C414 PolarHBondContact ND2-O 2.87Å; G279-C414 VanDerWaalsContact C-SG 3.54Å; G279-C414 PolarHBondContact N-SG 3.22Å; G279-C414 PolarHBondContact O-SG 3.05Å; C411-C414 PolarHBondContact O-N 3.37Å; C411-C414 VanDerWaalsContact SG-CA 3.5Å; C411-C414 PolarHBondContact SG-N 3.42Å; C414-T418 PolarHBondContact O-OG1 3.34Å
415	L	84	Confident	92.4	Very high	8 Å²	8	10.1 Å²	10.1	4%	0.042	6%	0.058	C	C	.	.	S	Bend	trans	-121	-97.7	-178.4	-64.4	-177.6	0	0	0	112.2	D413 T418 N419 Y471 A472	D413-L415 VanDerWaalsContact C-N 3.29Å; D413-L415 HydrophobicContact CB-CB 4.33Å; D413-L415 HydrophobicContact CB-CD1 4.24Å; D413-L415 HydrophobicContact CB-CG 4.09Å; D413-L415 PolarHBondContact O-N 2.9Å; L415-T418 PolarHBondContact N-OG1 3.28Å; L415-T418 PolarHBondContact O-OG1 2.79Å; L415-N419 WeakPolarHBondContact O-CB 3.44Å; L415-N419 PolarHBondContact O-N 2.87Å; L415-Y471 HydrophobicContact CD1-CD1 4.14Å; L415-Y471 HydrophobicContact CD2-CD1 4.11Å; L415-Y471 HydrophobicContact CG-CD1 4.19Å; L415-A472 HydrophobicContact CD1-CB 4.01Å
416	D	83.7	Confident	92.3	Very high	52 Å²	52	10.1 Å²	10.1	28%	0.278	6%	0.058	S	C	.	.	H	α-helix	trans	-68.7	-45.5	-165.5	-53.9	-54.3	0	0	0	112.3	A420 A476 L477	D416-A420 PolarHBondContact O-N 2.85Å; D416-A420 VanDerWaalsContact O-N 3.1Å; D416-A476 WeakPolarHBondContact OD1-CB 3.48Å; D416-L477 PolarHBondContact OD1-N 3.14Å
417	R	90.4	Very high	92.2	Very high	21 Å²	21	10.7 Å²	10.7	8%	0.079	6%	0.062	C	C	.	.	H	α-helix	trans	-66.1	-42.2	179.7	-65.2	-178	-84.4	-178.5	-16.8	112.9	L329 E336 Y363 C411 A420 I421	L329-R417 HydrophobicContact CD1-CB 4.08Å; L329-R417 WeakPolarHBondContact CD1-O 3.3Å; L329-R417 PolarHBondContact O-NH1 3.31Å; E336-R417 IonicContact OE1-CZ 3.76Å; E336-R417 IonicContact OE1-NH1 3.71Å; E336-R417 IonicContact OE1-NH2 2.84Å; E336-R417 PolarHBondContact OE1-NH2 3.38Å; E336-R417 IonicContact OE2-CZ 3.9Å; E336-R417 IonicContact OE2-NH1 3.95Å; E336-R417 PolarHBondContact OE2-NH1 3.42Å; E336-R417 IonicContact OE2-NH2 3.38Å; E336-R417 PolarHBondContact OE2-NH2 3.08Å; Y363-R417 HydrophobicContact CD1-CB 4.28Å; Y363-R417 HydrophobicContact CD1-CG 3.57Å; Y363-R417 HydrophobicContact CD2-CB 4.42Å; Y363-R417 HydrophobicContact CE1-CG 3.98Å; Y363-R417 HydrophobicContact CG-CB 4.17Å; Y363-R417 HydrophobicContact CG-CG 3.89Å; C411-R417 HydrophobicContact CB-CB 4.01Å; R417-A420 PolarHBondContact O-N 2.64Å; R417-I421 PolarHBondContact O-N 3.21Å
418	T	92.2	Very high	92	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.9	-44.7	179.3	44.5	0	0	0	0	110.3	L329 I409 N410 C411 C414 L415 A420 I421 E422	L329-T418 HydrophobicContact CD1-CG2 4.12Å; I409-T418 HydrophobicContact CG2-CG2 3.97Å; N410-T418 VanDerWaalsContact C-CG2 3.46Å; C411-T418 HydrophobicContact CB-CG2 4.08Å; C414-T418 PolarHBondContact O-OG1 3.34Å; L415-T418 PolarHBondContact N-OG1 3.28Å; L415-T418 PolarHBondContact O-OG1 2.79Å; T418-A420 VanDerWaalsContact C-N 3.27Å; T418-A420 PolarHBondContact O-N 3.37Å; T418-I421 PolarHBondContact O-N 3.37Å; T418-E422 WeakPolarHBondContact O-CB 3.48Å; T418-E422 VanDerWaalsContact O-CG 3.3Å; T418-E422 WeakPolarHBondContact O-CG 3.41Å; T418-E422 PolarHBondContact O-N 2.85Å
419	N	93.9	Very high	91.9	Very high	17 Å²	17	16.4 Å²	16.4	9%	0.091	9%	0.088	C	C	.	.	H	α-helix	trans	-59.5	-39.2	176.8	-162.7	83.1	0	0	0	112	L415 T423 W460 G464	L415-N419 WeakPolarHBondContact O-CB 3.44Å; L415-N419 PolarHBondContact O-N 2.87Å; N419-T423 VanDerWaalsContact O-CB 3.3Å; N419-T423 WeakPolarHBondContact O-CB 3.36Å; N419-T423 PolarHBondContact O-N 2.77Å; N419-T423 PolarHBondContact O-OG1 3.31Å; N419-W460 PolarHBondContact ND2-O 3.39Å; N419-W460 PolarHBondContact OD1-O 2.98Å; N419-G464 WeakPolarHBondContact OD1-CA 3.32Å; N419-G464 PolarHBondContact OD1-N 3.13Å
420	A	92.3	Very high	91.9	Very high	31 Å²	31	16.4 Å²	16.4	26%	0.256	9%	0.088	S	C	.	.	H	α-helix	trans	-62	-45.6	177.6	0	0	0	0	0	112.4	Y363 D416 R417 T418 L424	Y363-A420 HydrophobicContact CE2-CB 4.03Å; Y363-A420 WeakPolarHBondContact OH-CB 3.3Å; D416-A420 PolarHBondContact O-N 2.85Å; D416-A420 VanDerWaalsContact O-N 3.1Å; R417-A420 PolarHBondContact O-N 2.64Å; T418-A420 VanDerWaalsContact C-N 3.27Å; T418-A420 PolarHBondContact O-N 3.37Å; A420-L424 PolarHBondContact O-N 3.32Å; A420-L424 VanDerWaalsContact O-N 3.07Å
421	I	94.9	Very high	91.9	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-70.6	-43.2	177.7	-61.9	-58	0	0	0	111.3	L329 F361 Y363 I378 I382 I409 R417 T418 T423 L424 V425	L329-I421 HydrophobicContact CD1-CB 4.2Å; L329-I421 HydrophobicContact CD1-CG1 3.68Å; L329-I421 HydrophobicContact CD2-CG1 3.84Å; L329-I421 HydrophobicContact CG-CG1 4.43Å; F361-I421 HydrophobicContact CE1-CD1 4.45Å; Y363-I421 HydrophobicContact CD2-CD1 4.15Å; Y363-I421 HydrophobicContact CD2-CG1 4.25Å; Y363-I421 HydrophobicContact CE2-CD1 4.14Å; Y363-I421 HydrophobicContact CE2-CG1 4.36Å; I378-I421 HydrophobicContact CD1-CD1 4.22Å; I382-I421 HydrophobicContact CD1-CG2 4.32Å; I409-I421 HydrophobicContact CD1-CG2 4.14Å; I409-I421 HydrophobicContact CG2-CG2 4.49Å; R417-I421 PolarHBondContact O-N 3.21Å; T418-I421 PolarHBondContact O-N 3.37Å; I421-T423 VanDerWaalsContact C-N 3.27Å; I421-T423 PolarHBondContact O-N 2.83Å; I421-L424 WeakPolarHBondContact O-CB 3.34Å; I421-L424 PolarHBondContact O-N 3.47Å; I421-L424 VanDerWaalsContact O-N 3.07Å; I421-V425 HydrophobicContact CG2-CG2 4.44Å; I421-V425 WeakPolarHBondContact O-CG2 3.48Å; I421-V425 PolarHBondContact O-N 3.04Å
422	E	96.9	Very high	92.1	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.4	-39.8	175.5	-72	170.7	127.2	0	0	112.1	Q276 R278 I409 T418 V425 G426 W460	Q276-E422 PolarHBondContact NE2-O 3.3Å; R278-E422 WeakPolarHBondContact CD-OE1 3.22Å; R278-E422 WeakPolarHBondContact CD-OE2 3.46Å; R278-E422 IonicContact CZ-OE2 2.88Å; R278-E422 IonicContact NE-OE2 3.64Å; R278-E422 IonicContact NH1-OE2 3.37Å; R278-E422 PolarHBondContact NH1-OE2 3.34Å; I409-E422 HydrophobicContact CD1-CG 3.61Å; T418-E422 WeakPolarHBondContact O-CB 3.48Å; T418-E422 VanDerWaalsContact O-CG 3.3Å; T418-E422 WeakPolarHBondContact O-CG 3.41Å; T418-E422 PolarHBondContact O-N 2.85Å; E422-V425 PolarHBondContact O-N 3.18Å; E422-G426 PolarHBondContact O-N 3.49Å; E422-W460 HydrophobicContact CB-CE3 4.16Å; E422-W460 HydrophobicContact CB-CH2 3.76Å; E422-W460 HydrophobicContact CB-CZ3 3.47Å; E422-W460 VanDerWaalsContact CB-CZ3 3.47Å; E422-W460 HydrophobicContact CG-CZ3 4.4Å
423	T	96.6	Very high	92.5	Very high	28 Å²	28	20.9 Å²	20.9	17%	0.172	11%	0.113	C	C	.	.	H	α-helix	trans	-62.8	-44.8	173.9	-55.4	0	0	0	0	111	N419 I421 G426 V427 W460	N419-T423 VanDerWaalsContact O-CB 3.3Å; N419-T423 WeakPolarHBondContact O-CB 3.36Å; N419-T423 PolarHBondContact O-N 2.77Å; N419-T423 PolarHBondContact O-OG1 3.31Å; I421-T423 VanDerWaalsContact C-N 3.27Å; I421-T423 PolarHBondContact O-N 2.83Å; T423-G426 PolarHBondContact O-N 3.47Å; T423-V427 HydrophobicContact CG2-CG2 4.05Å; T423-V427 VanDerWaalsContact O-CB 3.24Å; T423-V427 WeakPolarHBondContact O-CB 3.38Å; T423-V427 WeakPolarHBondContact O-CG2 3.44Å; T423-V427 PolarHBondContact O-N 3.48Å; T423-W460 HydrophobicContact CG2-CB 3.75Å; T423-W460 HydrophobicContact CG2-CG 4.05Å; T423-W460 WeakPolarHBondContact OG1-CB 3.47Å
424	L	95.3	Very high	93.4	Very high	14 Å²	14	19.5 Å²	19.5	7%	0.073	11%	0.105	C	C	.	.	H	α-helix	trans	-62.2	-44	178.5	162.1	160	0	0	0	111.1	L375 N379 A420 I421 Q428 I429	L375-L424 HydrophobicContact CD2-CD1 3.88Å; N379-L424 WeakPolarHBondContact OD1-CD2 3.43Å; N379-L424 WeakPolarHBondContact OD1-CG 3.47Å; A420-L424 PolarHBondContact O-N 3.32Å; A420-L424 VanDerWaalsContact O-N 3.07Å; I421-L424 WeakPolarHBondContact O-CB 3.34Å; I421-L424 PolarHBondContact O-N 3.47Å; I421-L424 VanDerWaalsContact O-N 3.07Å; L424-Q428 VanDerWaalsContact O-CB 3.28Å; L424-Q428 WeakPolarHBondContact O-CB 3.4Å; L424-Q428 PolarHBondContact O-N 3.26Å; L424-I429 HydrophobicContact CD2-CD1 4.45Å
425	V	97.5	Very high	93.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	I	π-helix	trans	-62.6	-50.6	176.2	176	0	0	0	0	110.5	Y274 I382 L407 I421 E422 V427 I429 I430	Y274-V425 HydrophobicContact CE1-CG1 4.07Å; I382-V425 HydrophobicContact CD1-CG2 3.83Å; I382-V425 HydrophobicContact CG2-CG1 4.49Å; I382-V425 HydrophobicContact CG2-CG2 4.05Å; L407-V425 HydrophobicContact CD1-CB 4.47Å; L407-V425 HydrophobicContact CD1-CG1 3.83Å; L407-V425 HydrophobicContact CD1-CG2 3.88Å; I421-V425 HydrophobicContact CG2-CG2 4.44Å; I421-V425 WeakPolarHBondContact O-CG2 3.48Å; I421-V425 PolarHBondContact O-N 3.04Å; E422-V425 PolarHBondContact O-N 3.18Å; V425-V427 VanDerWaalsContact C-N 3.33Å; V425-V427 PolarHBondContact O-N 3.04Å; V425-I429 HydrophobicContact CG2-CD1 4.38Å; V425-I429 WeakPolarHBondContact O-CB 3.48Å; V425-I429 PolarHBondContact O-N 3.06Å; V425-I430 HydrophobicContact CG1-CG1 4Å; V425-I430 PolarHBondContact O-N 3.48Å
426	G	97.3	Very high	94.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	I	π-helix	trans	-61.2	-38.6	-177.9	0	0	0	0	0	113.3	Q263 E422 T423 L431	Q263-G426 PolarHBondContact NE2-O 2.81Å; Q263-G426 PolarHBondContact OE1-O 3.01Å; E422-G426 PolarHBondContact O-N 3.49Å; T423-G426 PolarHBondContact O-N 3.47Å; G426-L431 VanDerWaalsContact O-CB 3.25Å; G426-L431 WeakPolarHBondContact O-CB 3.42Å; G426-L431 PolarHBondContact O-N 3.41Å; G426-L431 VanDerWaalsContact O-N 3.1Å
427	V	96.4	Very high	94.7	Very high	12 Å²	12	25.5 Å²	25.5	7%	0.073	14%	0.137	C	C	.	.	I	π-helix	trans	-89.4	-47.1	-176	176.2	0	0	0	0	113.3	T423 V425 L431 V453 I456 K457	T423-V427 HydrophobicContact CG2-CG2 4.05Å; T423-V427 VanDerWaalsContact O-CB 3.24Å; T423-V427 WeakPolarHBondContact O-CB 3.38Å; T423-V427 WeakPolarHBondContact O-CG2 3.44Å; T423-V427 PolarHBondContact O-N 3.48Å; V425-V427 VanDerWaalsContact C-N 3.33Å; V425-V427 PolarHBondContact O-N 3.04Å; V427-L431 WeakPolarHBondContact O-CB 3.03Å; V427-V453 HydrophobicContact CG1-CG1 4.02Å; V427-I456 HydrophobicContact CG2-CB 4.48Å; V427-I456 HydrophobicContact CG2-CG2 3.61Å; V427-K457 HydrophobicContact CG1-CG 4.3Å; V427-K457 HydrophobicContact CG2-CG 3.96Å
428	Q	94	Very high	94.7	Very high	109 Å²	109	25 Å²	25	51%	0.509	14%	0.137	S	C	.	.	I	π-helix	trans	-90.6	-36.8	-169.8	-59.4	-175.7	9.9	0	0	112.6	N379 L424	N379-Q428 PolarHBondContact ND2-OE1 3.16Å; L424-Q428 VanDerWaalsContact O-CB 3.28Å; L424-Q428 WeakPolarHBondContact O-CB 3.4Å; L424-Q428 PolarHBondContact O-N 3.26Å
429	I	95.8	Very high	94.6	Very high	11 Å²	11	27.6 Å²	27.6	6%	0.056	16%	0.163	C	C	.	.	I	π-helix	trans	-95.6	-48.5	-172.5	-57.1	179.1	0	0	0	110.8	I382 L424 V425	I382-I429 HydrophobicContact CB-CD1 3.86Å; I382-I429 HydrophobicContact CG2-CD1 3.54Å; L424-I429 HydrophobicContact CD2-CD1 4.45Å; V425-I429 HydrophobicContact CG2-CD1 4.38Å; V425-I429 WeakPolarHBondContact O-CB 3.48Å; V425-I429 PolarHBondContact O-N 3.06Å
430	I	97	Very high	94.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.158	C	C	.	.	I	π-helix	trans	-93.9	-43.9	-167.1	-61.7	-62.2	0	0	0	113.1	Y274 V425 P432 K433 M434	Y274-I430 HydrophobicContact CD1-CB 4.33Å; Y274-I430 HydrophobicContact CD1-CD1 4.28Å; Y274-I430 HydrophobicContact CD1-CG1 3.75Å; Y274-I430 HydrophobicContact CD1-CG2 3.99Å; Y274-I430 HydrophobicContact CD2-CD1 3.88Å; Y274-I430 HydrophobicContact CD2-CG1 4.22Å; Y274-I430 HydrophobicContact CD2-CG2 4.09Å; Y274-I430 HydrophobicContact CE1-CD1 4.02Å; Y274-I430 HydrophobicContact CE1-CG1 3.67Å; Y274-I430 HydrophobicContact CE2-CD1 3.61Å; Y274-I430 HydrophobicContact CE2-CG1 4.17Å; Y274-I430 HydrophobicContact CG-CB 4.39Å; Y274-I430 HydrophobicContact CG-CD1 4.21Å; Y274-I430 HydrophobicContact CG-CG1 4.02Å; Y274-I430 HydrophobicContact CG-CG2 3.62Å; V425-I430 HydrophobicContact CG1-CG1 4Å; V425-I430 PolarHBondContact O-N 3.48Å; I430-P432 VanDerWaalsContact C-CD 3.49Å; I430-K433 WeakPolarHBondContact O-CB 3Å; I430-K433 PolarHBondContact O-N 2.83Å; I430-M434 HydrophobicContact CG2-CG 3.89Å; I430-M434 HydrophobicContact CG2-SD 3.65Å; I430-M434 PolarHBondContact O-N 3.34Å
431	L	96.3	Very high	93.2	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-52.1	-45	-178.1	175.6	61.3	0	0	0	113.8	I265 G426 V427 K433 M434 L435 F452 V453 I456	I265-L431 HydrophobicContact CD1-CD1 3.7Å; G426-L431 VanDerWaalsContact O-CB 3.25Å; G426-L431 WeakPolarHBondContact O-CB 3.42Å; G426-L431 PolarHBondContact O-N 3.41Å; G426-L431 VanDerWaalsContact O-N 3.1Å; V427-L431 WeakPolarHBondContact O-CB 3.03Å; L431-K433 VanDerWaalsContact C-N 3.25Å; L431-K433 PolarHBondContact O-N 3.09Å; L431-M434 PolarHBondContact O-N 3.45Å; L431-L435 HydrophobicContact CD1-CD1 3.94Å; L431-L435 HydrophobicContact CD1-CD2 4.27Å; L431-L435 HydrophobicContact CD1-CG 3.82Å; L431-L435 HydrophobicContact CG-CD1 3.99Å; L431-L435 HydrophobicContact CG-CG 4.31Å; L431-L435 WeakPolarHBondContact O-CG 3.47Å; L431-L435 PolarHBondContact O-N 3.13Å; L431-F452 HydrophobicContact CD2-CB 4.42Å; L431-V453 HydrophobicContact CD2-CG2 3.91Å; L431-I456 HydrophobicContact CD1-CD1 3.3Å; L431-I456 HydrophobicContact CD2-CD1 3.73Å; L431-I456 HydrophobicContact CG-CD1 4.04Å
432	P	93.8	Very high	91.8	Very high	54 Å²	54	32 Å²	32	35%	0.351	18%	0.184	S	C	.	.	H	α-helix	trans	-59.4	-36	177.8	-24.5	35.7	0	0	0	113.2	I430 M436	I430-P432 VanDerWaalsContact C-CD 3.49Å; P432-M436 PolarHBondContact O-N 3.3Å; P432-M436 VanDerWaalsContact O-N 3.16Å
433	K	94.4	Very high	90.5	Very high	49 Å²	49	40.8 Å²	40.8	21%	0.213	22%	0.223	C	C	.	.	H	α-helix	trans	-68.3	-49.3	178	-56.2	177.4	-179.7	179.5	0	110.6	D387 Y391 I430 L431 L435 M436 S437	D387-K433 WeakPolarHBondContact OD1-CE 3.3Å; D387-K433 IonicContact OD1-NZ 2.91Å; D387-K433 PolarHBondContact OD1-NZ 2.81Å; Y391-K433 HydrophobicContact CD1-CB 4.1Å; Y391-K433 HydrophobicContact CD1-CD 4.47Å; Y391-K433 HydrophobicContact CE1-CB 3.57Å; Y391-K433 HydrophobicContact CE1-CD 4.43Å; Y391-K433 PolarHBondContact OH-O 3.13Å; I430-K433 WeakPolarHBondContact O-CB 3Å; I430-K433 PolarHBondContact O-N 2.83Å; L431-K433 VanDerWaalsContact C-N 3.25Å; L431-K433 PolarHBondContact O-N 3.09Å; K433-L435 VanDerWaalsContact C-N 3.32Å; K433-L435 PolarHBondContact O-N 3.15Å; K433-M436 WeakPolarHBondContact O-CB 3.46Å; K433-M436 PolarHBondContact O-N 3.17Å; K433-M436 VanDerWaalsContact O-N 3.11Å; K433-S437 PolarHBondContact O-N 3.18Å
434	M	95.6	Very high	89.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56.5	-44.2	177.3	-67	173.8	71.4	0	0	112.4	I265 S272 Y391 I430 L431 M436 S437 L438	I265-M434 HydrophobicContact CB-CE 4.36Å; I265-M434 HydrophobicContact CD1-CB 4.33Å; I265-M434 HydrophobicContact CD1-CE 4.04Å; I265-M434 HydrophobicContact CG1-CE 3.86Å; S272-M434 WeakPolarHBondContact O-CE 3.45Å; S272-M434 VanDerWaalsContact OG-CE 3.25Å; S272-M434 WeakPolarHBondContact OG-CE 3.26Å; Y391-M434 HydrophobicContact CD2-CG 3.97Å; Y391-M434 HydrophobicContact CE2-CG 4.23Å; I430-M434 HydrophobicContact CG2-CG 3.89Å; I430-M434 HydrophobicContact CG2-SD 3.65Å; I430-M434 PolarHBondContact O-N 3.34Å; L431-M434 PolarHBondContact O-N 3.45Å; M434-M436 VanDerWaalsContact C-N 3.33Å; M434-M436 PolarHBondContact O-N 2.89Å; M434-S437 PolarHBondContact O-N 3.39Å; M434-L438 WeakPolarHBondContact O-CG 3.33Å; M434-L438 PolarHBondContact O-N 3.41Å
435	L	93.7	Very high	88.4	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-37.2	178.2	-70.4	178.1	0	0	0	112.3	I265 L431 K433 L438 G439 V440 I449 F452	I265-L435 HydrophobicContact CD1-CD2 3.96Å; L431-L435 HydrophobicContact CD1-CD1 3.94Å; L431-L435 HydrophobicContact CD1-CD2 4.27Å; L431-L435 HydrophobicContact CD1-CG 3.82Å; L431-L435 HydrophobicContact CG-CD1 3.99Å; L431-L435 HydrophobicContact CG-CG 4.31Å; L431-L435 WeakPolarHBondContact O-CG 3.47Å; L431-L435 PolarHBondContact O-N 3.13Å; K433-L435 VanDerWaalsContact C-N 3.32Å; K433-L435 PolarHBondContact O-N 3.15Å; L435-L438 CarbonylContact O-C 3.58Å; L435-L438 PolarHBondContact O-N 3.26Å; L435-G439 PolarHBondContact O-N 2.76Å; L435-V440 HydrophobicContact CB-CB 4.11Å; L435-V440 HydrophobicContact CB-CG1 4.43Å; L435-V440 HydrophobicContact CD2-CB 4.24Å; L435-V440 HydrophobicContact CD2-CG1 4.32Å; L435-V440 HydrophobicContact CD2-CG2 4.47Å; L435-V440 WeakPolarHBondContact O-CA 3.32Å; L435-V440 WeakPolarHBondContact O-CB 3.39Å; L435-V440 PolarHBondContact O-N 3.06Å; L435-I449 HydrophobicContact CD1-CG2 4.49Å; L435-F452 HydrophobicContact CD1-CB 4.2Å; L435-F452 HydrophobicContact CD1-CD2 4.36Å; L435-F452 HydrophobicContact CD1-CG 4.27Å; L435-F452 HydrophobicContact CD2-CD1 3.81Å; L435-F452 HydrophobicContact CD2-CD2 3.88Å; L435-F452 HydrophobicContact CD2-CE1 3.83Å; L435-F452 HydrophobicContact CD2-CE2 3.91Å; L435-F452 HydrophobicContact CD2-CG 3.84Å; L435-F452 HydrophobicContact CD2-CZ 3.88Å
436	M	91.4	Very high	87.8	Confident	146 Å²	146	52.5 Å²	52.5	72%	0.719	28%	0.279	S	S	*	.	H	α-helix	trans	-61.6	-46.6	178.2	-173.8	173.9	178.7	0	0	111.8	P432 K433 M434 L438 G439	P432-M436 PolarHBondContact O-N 3.3Å; P432-M436 VanDerWaalsContact O-N 3.16Å; K433-M436 WeakPolarHBondContact O-CB 3.46Å; K433-M436 PolarHBondContact O-N 3.17Å; K433-M436 VanDerWaalsContact O-N 3.11Å; M434-M436 VanDerWaalsContact C-N 3.33Å; M434-M436 PolarHBondContact O-N 2.89Å; M436-L438 VanDerWaalsContact C-N 3.29Å; M436-L438 PolarHBondContact O-N 3.24Å; M436-G439 PolarHBondContact O-N 3.12Å; M436-G439 VanDerWaalsContact O-N 3.15Å
437	S	92.5	Very high	87.2	Confident	38 Å²	38	58.1 Å²	58.1	27%	0.266	31%	0.309	S	S	.	.	H	α-helix	trans	-67.7	-27	175.8	-80.1	0	0	0	0	113.6	Y391 Y393 K433 M434 G439	Y391-S437 WeakPolarHBondContact OH-CB 3.2Å; Y391-S437 PolarHBondContact OH-OG 2.79Å; Y393-S437 PolarHBondContact OH-O 2.75Å; K433-S437 PolarHBondContact O-N 3.18Å; M434-S437 PolarHBondContact O-N 3.39Å; S437-G439 PolarHBondContact O-N 3.37Å
438	L	91.9	Very high	86.7	Confident	12 Å²	12	58.4 Å²	58.4	6%	0.063	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	8.3	173.7	-68.3	172.6	0	0	0	113.8	I265 L267 S272 Y393 M434 L435 M436 V440	I265-L438 HydrophobicContact CB-CD1 3.68Å; I265-L438 HydrophobicContact CD1-CD1 4.31Å; I265-L438 HydrophobicContact CG2-CD1 3.42Å; I265-L438 VanDerWaalsContact CG2-CD1 3.42Å; L267-L438 HydrophobicContact CB-CD2 4.27Å; L267-L438 HydrophobicContact CD2-CB 4.18Å; S272-L438 WeakPolarHBondContact OG-CD1 3.4Å; Y393-L438 HydrophobicContact CD2-CD2 4.42Å; Y393-L438 HydrophobicContact CE2-CD2 3.85Å; M434-L438 WeakPolarHBondContact O-CG 3.33Å; M434-L438 PolarHBondContact O-N 3.41Å; L435-L438 CarbonylContact O-C 3.58Å; L435-L438 PolarHBondContact O-N 3.26Å; M436-L438 VanDerWaalsContact C-N 3.29Å; M436-L438 PolarHBondContact O-N 3.24Å; L438-V440 VanDerWaalsContact C-N 3.25Å; L438-V440 PolarHBondContact O-N 3.06Å
439	G	88.3	Confident	86.5	Confident	53 Å²	53	54.2 Å²	54.2	55%	0.546	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	11.8	179.8	0	0	0	0	0	114.6	L435 M436 S437 N441	L435-G439 PolarHBondContact O-N 2.76Å; M436-G439 PolarHBondContact O-N 3.12Å; M436-G439 VanDerWaalsContact O-N 3.15Å; S437-G439 PolarHBondContact O-N 3.37Å; G439-N441 PolarHBondContact O-N 3.05Å
440	V	84.3	Confident	86.2	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.304	C	S	.	.			trans	-90.2	89.5	175	-178.9	0	0	0	0	108.3	L267 L435 L438 V442 V448 F452	L267-V440 HydrophobicContact CD2-CG2 4.19Å; L435-V440 HydrophobicContact CB-CB 4.11Å; L435-V440 HydrophobicContact CB-CG1 4.43Å; L435-V440 HydrophobicContact CD2-CB 4.24Å; L435-V440 HydrophobicContact CD2-CG1 4.32Å; L435-V440 HydrophobicContact CD2-CG2 4.47Å; L435-V440 WeakPolarHBondContact O-CA 3.32Å; L435-V440 WeakPolarHBondContact O-CB 3.39Å; L435-V440 PolarHBondContact O-N 3.06Å; L438-V440 VanDerWaalsContact C-N 3.25Å; L438-V440 PolarHBondContact O-N 3.06Å; V440-V442 PolarHBondContact O-N 2.76Å; V440-V448 HydrophobicContact CG1-CG1 4.36Å; V440-F452 HydrophobicContact CG1-CE2 4.46Å
441	N	72.7	Confident	86	Confident	74 Å²	74	63.1 Å²	63.1	40%	0.396	33%	0.329	S	S	.	.			trans	-69.3	127.1	-176.9	-171.6	2.5	0	0	0	112.3	G439 K443 D444	G439-N441 PolarHBondContact O-N 3.05Å; N441-K443 VanDerWaalsContact C-N 3.26Å; N441-K443 PolarHBondContact O-N 2.97Å; N441-K443 PolarHBondContact OD1-N 3.17Å; N441-D444 PolarHBondContact ND2-OD2 3.07Å
442	V	67.2	Low	86	Confident	69 Å²	69	63 Å²	63	42%	0.418	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-31.6	-176.9	179	0	0	0	0	112.8	V440 I449	V440-V442 PolarHBondContact O-N 2.76Å; V442-I449 HydrophobicContact CB-CD1 4.19Å; V442-I449 HydrophobicContact CG1-CD1 4.08Å; V442-I449 WeakPolarHBondContact O-CD1 3.43Å
443	K	68.4	Low	86	Confident	185 Å²	185	61.8 Å²	61.8	80%	0.804	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-33	-173	-66.7	-177.7	179.6	176.9	0	113.8	N441	N441-K443 VanDerWaalsContact C-N 3.26Å; N441-K443 PolarHBondContact O-N 2.97Å; N441-K443 PolarHBondContact OD1-N 3.17Å
444	D	70.9	Confident	86	Confident	126 Å²	126	64.1 Å²	64.1	67%	0.674	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-15.4	-168.7	-53.5	-41.9	0	0	0	113.1	N441	N441-D444 PolarHBondContact ND2-OD2 3.07Å
445	Q	78	Confident	86	Confident	38 Å²	38	64.6 Å²	64.6	18%	0.178	34%	0.34	C	S	.	.			trans	-126.1	43.2	-167	-53.4	-164.2	-5.5	0	0	114.5	S223 N447 V448 I449	S223-Q445 PolarHBondContact OG-NE2 3.21Å; Q445-N447 VanDerWaalsContact C-N 3.3Å; Q445-N447 PolarHBondContact O-N 3.02Å; Q445-N447 VanDerWaalsContact O-N 3.13Å; Q445-V448 HydrophobicContact CB-CB 3.97Å; Q445-V448 HydrophobicContact CB-CG2 4.11Å; Q445-V448 WeakPolarHBondContact O-CB 3.48Å; Q445-V448 PolarHBondContact O-N 3.17Å; Q445-I449 WeakPolarHBondContact O-CD1 3.44Å; Q445-I449 WeakPolarHBondContact O-CG1 2.95Å; Q445-I449 PolarHBondContact O-N 3.37Å
446	H	83.3	Confident	86.1	Confident	123 Å²	123	64.6 Å²	64.6	57%	0.569	34%	0.339	S	S	*	.	H	α-helix	trans	-48.3	-46.1	-175.6	-168.5	69.5	0	0	0	114.2	V448 I449 N450	H446-V448 PolarHBondContact O-N 3.39Å; H446-I449 PolarHBondContact O-N 3.4Å; H446-N450 PolarHBondContact CD2-ND2 2.94Å; H446-N450 VanDerWaalsContact CD2-ND2 3.28Å; H446-N450 PolarHBondContact NE2-ND2 3.44Å; H446-N450 VanDerWaalsContact O-CG 3.32Å; H446-N450 PolarHBondContact O-N 3.03Å; H446-N450 PolarHBondContact O-ND2 3.1Å
447	N	85.8	Confident	86.3	Confident	118 Å²	118	62.5 Å²	62.5	63%	0.631	33%	0.326	S	S	*	.	H	α-helix	trans	-65.7	-34.8	179	-70.4	-24	0	0	0	113.4	Q445 R451	Q445-N447 VanDerWaalsContact C-N 3.3Å; Q445-N447 PolarHBondContact O-N 3.02Å; Q445-N447 VanDerWaalsContact O-N 3.13Å; N447-R451 WeakPolarHBondContact O-CG 3.46Å; N447-R451 PolarHBondContact O-N 2.95Å
448	V	86.4	Confident	86.4	Confident	19 Å²	19	65.9 Å²	65.9	12%	0.115	34%	0.338	C	S	.	.	H	α-helix	trans	-69.9	-43.9	177.2	178.1	0	0	0	0	109.7	C222 V440 Q445 H446 N450 R451 F452	C222-V448 HydrophobicContact CB-CG1 3.47Å; C222-V448 VanDerWaalsContact CB-CG1 3.47Å; V440-V448 HydrophobicContact CG1-CG1 4.36Å; Q445-V448 HydrophobicContact CB-CB 3.97Å; Q445-V448 HydrophobicContact CB-CG2 4.11Å; Q445-V448 WeakPolarHBondContact O-CB 3.48Å; Q445-V448 PolarHBondContact O-N 3.17Å; H446-V448 PolarHBondContact O-N 3.39Å; V448-N450 VanDerWaalsContact C-N 3.33Å; V448-N450 PolarHBondContact O-N 3.43Å; V448-R451 WeakPolarHBondContact O-CB 3.09Å; V448-R451 PolarHBondContact O-N 3.06Å; V448-R451 VanDerWaalsContact O-N 3.12Å; V448-F452 HydrophobicContact CG1-CD2 4.02Å; V448-F452 HydrophobicContact CG1-CE2 3.77Å; V448-F452 WeakPolarHBondContact O-CD2 3.21Å; V448-F452 PolarHBondContact O-N 3.48Å; V448-F452 VanDerWaalsContact O-N 3.15Å
449	I	87.9	Confident	86.7	Confident	21 Å²	21	65.5 Å²	65.5	11%	0.108	34%	0.336	C	S	.	.	H	α-helix	trans	-61.7	-42.4	178.7	-61.5	152.5	0	0	0	110.7	L435 V442 Q445 H446 R451 F452 V453	L435-I449 HydrophobicContact CD1-CG2 4.49Å; V442-I449 HydrophobicContact CB-CD1 4.19Å; V442-I449 HydrophobicContact CG1-CD1 4.08Å; V442-I449 WeakPolarHBondContact O-CD1 3.43Å; Q445-I449 WeakPolarHBondContact O-CD1 3.44Å; Q445-I449 WeakPolarHBondContact O-CG1 2.95Å; Q445-I449 PolarHBondContact O-N 3.37Å; H446-I449 PolarHBondContact O-N 3.4Å; I449-R451 VanDerWaalsContact C-N 3.26Å; I449-R451 PolarHBondContact O-N 3.04Å; I449-F452 WeakPolarHBondContact O-CB 3.38Å; I449-F452 PolarHBondContact O-N 3.23Å; I449-F452 VanDerWaalsContact O-N 3.08Å; I449-V453 HydrophobicContact CG2-CG2 4.25Å; I449-V453 WeakPolarHBondContact O-CG2 3.12Å; I449-V453 PolarHBondContact O-N 3.26Å
450	N	91.5	Very high	87.1	Confident	60 Å²	60	63 Å²	63	32%	0.321	31%	0.31	S	S	.	.	H	α-helix	trans	-58.7	-38.4	176.1	-71.9	-22	0	0	0	111.9	H446 V448 V453 D454	H446-N450 PolarHBondContact CD2-ND2 2.94Å; H446-N450 VanDerWaalsContact CD2-ND2 3.28Å; H446-N450 PolarHBondContact NE2-ND2 3.44Å; H446-N450 VanDerWaalsContact O-CG 3.32Å; H446-N450 PolarHBondContact O-N 3.03Å; H446-N450 PolarHBondContact O-ND2 3.1Å; V448-N450 VanDerWaalsContact C-N 3.33Å; V448-N450 PolarHBondContact O-N 3.43Å; N450-V453 PolarHBondContact O-N 3.47Å; N450-D454 WeakPolarHBondContact O-CB 3.47Å; N450-D454 VanDerWaalsContact O-CG 3.26Å; N450-D454 PolarHBondContact O-N 2.94Å
451	R	92.7	Very high	87.4	Confident	137 Å²	137	67.4 Å²	67.4	52%	0.517	33%	0.331	S	S	.	.	H	α-helix	trans	-64.7	-39.8	174.2	-65.3	172.6	-174.3	152.4	1.9	112.7	V220 Y221 N447 V448 I449 G455	V220-R451 HydrophobicContact CG1-CB 3.82Å; Y221-R451 PolarHBondContact O-NH1 3.46Å; N447-R451 WeakPolarHBondContact O-CG 3.46Å; N447-R451 PolarHBondContact O-N 2.95Å; V448-R451 WeakPolarHBondContact O-CB 3.09Å; V448-R451 PolarHBondContact O-N 3.06Å; V448-R451 VanDerWaalsContact O-N 3.12Å; I449-R451 VanDerWaalsContact C-N 3.26Å; I449-R451 PolarHBondContact O-N 3.04Å; R451-G455 PolarHBondContact O-N 3.5Å
452	F	94.6	Very high	88.4	Confident	1 Å²	1	66.5 Å²	66.5	0%	0.004	32%	0.324	C	S	.	.	H	α-helix	trans	-63.2	-46.1	173.3	-82.7	-80.2	0	0	0	111.6	V220 C222 A227 V229 I265 L431 L435 V440 V448 I449 G455 I456	V220-F452 HydrophobicContact CB-CD1 4.22Å; V220-F452 HydrophobicContact CB-CE1 4.02Å; V220-F452 HydrophobicContact CB-CE2 4.35Å; V220-F452 HydrophobicContact CB-CG 4.48Å; V220-F452 HydrophobicContact CB-CZ 4.08Å; V220-F452 HydrophobicContact CG1-CD1 4.21Å; V220-F452 HydrophobicContact CG1-CD2 3.71Å; V220-F452 HydrophobicContact CG1-CE1 4.17Å; V220-F452 HydrophobicContact CG1-CE2 3.66Å; V220-F452 HydrophobicContact CG1-CG 3.98Å; V220-F452 HydrophobicContact CG1-CZ 3.9Å; V220-F452 HydrophobicContact CG2-CD1 4.16Å; V220-F452 HydrophobicContact CG2-CE1 4.38Å; V220-F452 HydrophobicContact CG2-CG 4.48Å; C222-F452 HydrophobicContact CB-CE2 4.38Å; A227-F452 HydrophobicContact CB-CE1 3.73Å; A227-F452 HydrophobicContact CB-CZ 3.57Å; V229-F452 HydrophobicContact CG2-CD1 3.65Å; V229-F452 HydrophobicContact CG2-CE1 3.5Å; V229-F452 VanDerWaalsContact CG2-CE1 3.5Å; I265-F452 HydrophobicContact CD1-CD1 4.31Å; I265-F452 HydrophobicContact CD1-CE1 4.3Å; I265-F452 HydrophobicContact CG2-CE1 4.1Å; L431-F452 HydrophobicContact CD2-CB 4.42Å; L435-F452 HydrophobicContact CD1-CB 4.2Å; L435-F452 HydrophobicContact CD1-CD2 4.36Å; L435-F452 HydrophobicContact CD1-CG 4.27Å; L435-F452 HydrophobicContact CD2-CD1 3.81Å; L435-F452 HydrophobicContact CD2-CD2 3.88Å; L435-F452 HydrophobicContact CD2-CE1 3.83Å; L435-F452 HydrophobicContact CD2-CE2 3.91Å; L435-F452 HydrophobicContact CD2-CG 3.84Å; L435-F452 HydrophobicContact CD2-CZ 3.88Å; V440-F452 HydrophobicContact CG1-CE2 4.46Å; V448-F452 HydrophobicContact CG1-CD2 4.02Å; V448-F452 HydrophobicContact CG1-CE2 3.77Å; V448-F452 WeakPolarHBondContact O-CD2 3.21Å; V448-F452 PolarHBondContact O-N 3.48Å; V448-F452 VanDerWaalsContact O-N 3.15Å; I449-F452 WeakPolarHBondContact O-CB 3.38Å; I449-F452 PolarHBondContact O-N 3.23Å; I449-F452 VanDerWaalsContact O-N 3.08Å; F452-G455 PolarHBondContact O-N 3.12Å; F452-I456 WeakPolarHBondContact O-CB 3.3Å; F452-I456 WeakPolarHBondContact O-CG1 3.39Å; F452-I456 PolarHBondContact O-N 3.05Å
453	V	95.3	Very high	89.6	Confident	27 Å²	27	63.4 Å²	63.4	16%	0.164	31%	0.305	C	S	.	.	H	α-helix	trans	-60.9	-48.1	179.1	169.3	0	0	0	0	111.1	V427 L431 I449 N450 I456 K457	V427-V453 HydrophobicContact CG1-CG1 4.02Å; L431-V453 HydrophobicContact CD2-CG2 3.91Å; I449-V453 HydrophobicContact CG2-CG2 4.25Å; I449-V453 WeakPolarHBondContact O-CG2 3.12Å; I449-V453 PolarHBondContact O-N 3.26Å; N450-V453 PolarHBondContact O-N 3.47Å; V453-I456 PolarHBondContact O-N 3.42Å; V453-K457 HydrophobicContact CG1-CD 3.99Å; V453-K457 WeakPolarHBondContact O-CB 3.25Å; V453-K457 VanDerWaalsContact O-CG 3.26Å; V453-K457 WeakPolarHBondContact O-CG 3.46Å; V453-K457 PolarHBondContact O-N 3.37Å
454	D	94.4	Very high	90.6	Very high	99 Å²	99	54.8 Å²	54.8	53%	0.529	27%	0.269	S	S	.	.	H	α-helix	trans	-66	-43.6	-179.8	-70	-20.4	0	0	0	111.5	N450 K457 Q458	N450-D454 WeakPolarHBondContact O-CB 3.47Å; N450-D454 VanDerWaalsContact O-CG 3.26Å; N450-D454 PolarHBondContact O-N 2.94Å; D454-K457 PolarHBondContact O-N 3.47Å; D454-Q458 PolarHBondContact O-N 2.93Å; D454-Q458 VanDerWaalsContact O-N 3.08Å
455	G	94.5	Very high	91.3	Very high	10 Å²	10	49.7 Å²	49.7	10%	0.103	24%	0.241	C	C	.	.	H	α-helix	trans	-57.7	-51.5	174.9	0	0	0	0	0	112	R451 F452 K457 Q458 L459	R451-G455 PolarHBondContact O-N 3.5Å; F452-G455 PolarHBondContact O-N 3.12Å; G455-K457 PolarHBondContact O-N 3.43Å; G455-Q458 WeakPolarHBondContact O-CB 3.39Å; G455-Q458 PolarHBondContact O-N 3.43Å; G455-L459 VanDerWaalsContact O-CG 3.31Å; G455-L459 WeakPolarHBondContact O-CG 3.34Å; G455-L459 PolarHBondContact O-N 3.39Å
456	I	96	Very high	91.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.9	-38.7	-178.7	-74.4	174.6	0	0	0	112	V229 V427 L431 F452 V453 Q458 L459 W460	V229-I456 HydrophobicContact CG1-CD1 3.59Å; V229-I456 HydrophobicContact CG1-CG1 3.31Å; V427-I456 HydrophobicContact CG2-CB 4.48Å; V427-I456 HydrophobicContact CG2-CG2 3.61Å; L431-I456 HydrophobicContact CD1-CD1 3.3Å; L431-I456 HydrophobicContact CD2-CD1 3.73Å; L431-I456 HydrophobicContact CG-CD1 4.04Å; F452-I456 WeakPolarHBondContact O-CB 3.3Å; F452-I456 WeakPolarHBondContact O-CG1 3.39Å; F452-I456 PolarHBondContact O-N 3.05Å; V453-I456 PolarHBondContact O-N 3.42Å; I456-Q458 VanDerWaalsContact C-N 3.29Å; I456-Q458 PolarHBondContact O-N 2.84Å; I456-L459 PolarHBondContact O-N 3.22Å; I456-W460 VanDerWaalsContact CG2-CD1 3.45Å; I456-W460 VanDerWaalsContact O-CD1 3.31Å; I456-W460 PolarHBondContact O-N 3.3Å
457	K	96	Very high	92	Very high	103 Å²	103	42.2 Å²	42.2	45%	0.448	21%	0.207	S	C	.	.	H	α-helix	trans	-58.7	-41.7	173.9	-78.8	173.4	179.7	170.3	0	111.8	V427 V453 D454 G455 Q461	V427-K457 HydrophobicContact CG1-CG 4.3Å; V427-K457 HydrophobicContact CG2-CG 3.96Å; V453-K457 HydrophobicContact CG1-CD 3.99Å; V453-K457 WeakPolarHBondContact O-CB 3.25Å; V453-K457 VanDerWaalsContact O-CG 3.26Å; V453-K457 WeakPolarHBondContact O-CG 3.46Å; V453-K457 PolarHBondContact O-N 3.37Å; D454-K457 PolarHBondContact O-N 3.47Å; G455-K457 PolarHBondContact O-N 3.43Å; K457-Q461 WeakPolarHBondContact O-CB 3.26Å; K457-Q461 PolarHBondContact O-N 2.8Å
458	Q	95	Very high	92	Very high	109 Å²	109	36.7 Å²	36.7	51%	0.509	18%	0.177	S	C	.	.	H	α-helix	trans	-65.1	-44.3	176.3	-175.5	178.2	1.2	0	0	111.6	D454 G455 I456 W460 Q461 Q462	D454-Q458 PolarHBondContact O-N 2.93Å; D454-Q458 VanDerWaalsContact O-N 3.08Å; G455-Q458 WeakPolarHBondContact O-CB 3.39Å; G455-Q458 PolarHBondContact O-N 3.43Å; I456-Q458 VanDerWaalsContact C-N 3.29Å; I456-Q458 PolarHBondContact O-N 2.84Å; Q458-W460 PolarHBondContact O-N 2.9Å; Q458-Q461 WeakPolarHBondContact O-CB 3.49Å; Q458-Q461 PolarHBondContact O-N 2.89Å; Q458-Q462 WeakPolarHBondContact O-CG 3.4Å; Q458-Q462 PolarHBondContact O-N 3.08Å
459	L	97.1	Very high	91.8	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-60.6	-45.1	177.1	-65.7	174.2	0	0	0	111.7	E216 C218 V229 V231 G455 I456 Q461 Q462 N463	E216-L459 HydrophobicContact CB-CD2 3.53Å; C218-L459 HydrophobicContact CB-CD2 4.38Å; V229-L459 HydrophobicContact CB-CD1 4.49Å; V229-L459 HydrophobicContact CG1-CD1 4.05Å; V229-L459 WeakPolarHBondContact O-CD1 3.3Å; V231-L459 HydrophobicContact CB-CB 4.31Å; V231-L459 HydrophobicContact CG2-CB 3.81Å; V231-L459 HydrophobicContact CG2-CD1 4.41Å; G455-L459 VanDerWaalsContact O-CG 3.31Å; G455-L459 WeakPolarHBondContact O-CG 3.34Å; G455-L459 PolarHBondContact O-N 3.39Å; I456-L459 PolarHBondContact O-N 3.22Å; L459-Q461 VanDerWaalsContact C-N 3.31Å; L459-Q461 PolarHBondContact O-N 3.43Å; L459-Q462 PolarHBondContact O-N 3.27Å; L459-N463 WeakPolarHBondContact O-CB 3.2Å; L459-N463 PolarHBondContact O-N 3.42Å
460	W	96.4	Very high	91.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.3	-32.1	175.4	-86.2	105.8	0	0	0	113.6	T261 N419 E422 T423 I456 Q458 G464	T261-W460 HydrophobicContact CG2-CH2 3.38Å; T261-W460 HydrophobicContact CG2-CZ2 4.15Å; T261-W460 HydrophobicContact CG2-CZ3 3.72Å; N419-W460 PolarHBondContact ND2-O 3.39Å; N419-W460 PolarHBondContact OD1-O 2.98Å; E422-W460 HydrophobicContact CB-CE3 4.16Å; E422-W460 HydrophobicContact CB-CH2 3.76Å; E422-W460 HydrophobicContact CB-CZ3 3.47Å; E422-W460 VanDerWaalsContact CB-CZ3 3.47Å; E422-W460 HydrophobicContact CG-CZ3 4.4Å; T423-W460 HydrophobicContact CG2-CB 3.75Å; T423-W460 HydrophobicContact CG2-CG 4.05Å; T423-W460 WeakPolarHBondContact OG1-CB 3.47Å; I456-W460 VanDerWaalsContact CG2-CD1 3.45Å; I456-W460 VanDerWaalsContact O-CD1 3.31Å; I456-W460 PolarHBondContact O-N 3.3Å; Q458-W460 PolarHBondContact O-N 2.9Å; W460-G464 PolarHBondContact O-N 2.81Å
461	Q	91.9	Very high	90.6	Very high	93 Å²	93	36.6 Å²	36.6	44%	0.435	17%	0.17	S	C	.	.	H	α-helix	trans	-67.1	-45	173.5	-172.4	-175.8	33.7	0	0	111.3	K457 Q458 L459 N463 G464 D465 R481	K457-Q461 WeakPolarHBondContact O-CB 3.26Å; K457-Q461 PolarHBondContact O-N 2.8Å; Q458-Q461 WeakPolarHBondContact O-CB 3.49Å; Q458-Q461 PolarHBondContact O-N 2.89Å; L459-Q461 VanDerWaalsContact C-N 3.31Å; L459-Q461 PolarHBondContact O-N 3.43Å; Q461-N463 VanDerWaalsContact C-N 3.34Å; Q461-G464 PolarHBondContact O-N 3.44Å; Q461-D465 PolarHBondContact O-N 2.85Å; Q461-D465 VanDerWaalsContact O-N 3.14Å; Q461-R481 VanDerWaalsContact CD-NH2 3.25Å; Q461-R481 VanDerWaalsContact NE2-CZ 3.33Å
462	Q	92.2	Very high	89.6	Confident	55 Å²	55	30 Å²	30	26%	0.257	15%	0.145	S	C	.	.	H	α-helix	trans	-63.9	-41.4	175.3	-69.9	167.9	-25.6	0	0	111	E216 Q458 L459 G464 D465 H466	E216-Q462 HydrophobicContact CG-CB 4Å; Q458-Q462 WeakPolarHBondContact O-CG 3.4Å; Q458-Q462 PolarHBondContact O-N 3.08Å; L459-Q462 PolarHBondContact O-N 3.27Å; Q462-G464 PolarHBondContact O-N 2.82Å; Q462-D465 CarbonylContact O-C 3.48Å; Q462-D465 WeakPolarHBondContact O-CA 3.49Å; Q462-D465 WeakPolarHBondContact O-CB 3.41Å; Q462-D465 PolarHBondContact O-N 2.77Å; Q462-H466 PolarHBondContact O-CD2 2.89Å; Q462-H466 PolarHBondContact O-N 3.44Å
463	N	93.4	Very high	88.4	Confident	4 Å²	4	31 Å²	31	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-54.8	-49.4	174.3	-178.2	35	0	0	0	112.1	V231 S233 L459 Q461 D465 H466 V467	V231-N463 HydrophobicContact CG1-CB 4.14Å; S233-N463 WeakPolarHBondContact CB-OD1 3.2Å; S233-N463 VanDerWaalsContact OG-CG 3.3Å; S233-N463 PolarHBondContact OG-ND2 3.15Å; S233-N463 VanDerWaalsContact OG-ND2 3.15Å; S233-N463 PolarHBondContact OG-OD1 3.21Å; L459-N463 WeakPolarHBondContact O-CB 3.2Å; L459-N463 PolarHBondContact O-N 3.42Å; Q461-N463 VanDerWaalsContact C-N 3.34Å; N463-D465 VanDerWaalsContact C-N 3.28Å; N463-D465 PolarHBondContact O-N 3.08Å; N463-H466 WeakPolarHBondContact O-CB 3.02Å; N463-H466 PolarHBondContact O-N 2.89Å; N463-V467 PolarHBondContact O-N 3.06Å
464	G	89.2	Confident	86.9	Confident	4 Å²	4	30.2 Å²	30.2	4%	0.041	15%	0.15	C	C	.	.	H	α-helix	trans	-56.4	-42.5	174.6	0	0	0	0	0	112.4	N419 W460 Q461 Q462 H466 S468	N419-G464 WeakPolarHBondContact OD1-CA 3.32Å; N419-G464 PolarHBondContact OD1-N 3.13Å; W460-G464 PolarHBondContact O-N 2.81Å; Q461-G464 PolarHBondContact O-N 3.44Å; Q462-G464 PolarHBondContact O-N 2.82Å; G464-H466 PolarHBondContact O-N 2.72Å; G464-S468 WeakPolarHBondContact O-CB 3.31Å; G464-S468 PolarHBondContact O-N 2.81Å; G464-S468 VanDerWaalsContact O-N 3.07Å
465	D	86.7	Confident	85.5	Confident	18 Å²	18	25.9 Å²	25.9	10%	0.096	13%	0.129	C	C	.	.	H	α-helix	trans	-64.8	-34.4	175	-75.5	-39.2	0	0	0	112.7	Q461 Q462 N463 R469 G475 A476 R481 R489	Q461-D465 PolarHBondContact O-N 2.85Å; Q461-D465 VanDerWaalsContact O-N 3.14Å; Q462-D465 CarbonylContact O-C 3.48Å; Q462-D465 WeakPolarHBondContact O-CA 3.49Å; Q462-D465 WeakPolarHBondContact O-CB 3.41Å; Q462-D465 PolarHBondContact O-N 2.77Å; N463-D465 VanDerWaalsContact C-N 3.28Å; N463-D465 PolarHBondContact O-N 3.08Å; D465-R469 WeakPolarHBondContact O-CG 3.3Å; D465-R469 PolarHBondContact O-N 2.94Å; D465-R469 PolarHBondContact O-NE 2.88Å; D465-G475 WeakPolarHBondContact OD1-CA 3.48Å; D465-A476 PolarHBondContact OD1-N 3.45Å; D465-R481 IonicContact OD1-CZ 4Å; D465-R481 IonicContact OD1-NH1 2.96Å; D465-R481 PolarHBondContact OD1-NH1 3.44Å; D465-R481 IonicContact OD2-CZ 3.42Å; D465-R481 IonicContact OD2-NH1 3.07Å; D465-R481 PolarHBondContact OD2-NH1 3.03Å; D465-R481 IonicContact OD2-NH2 2.81Å; D465-R481 PolarHBondContact OD2-NH2 3.21Å; D465-R489 IonicContact OD1-NH1 3.08Å; D465-R489 PolarHBondContact OD1-NH1 3.13Å; D465-R489 VanDerWaalsContact OD1-NH1 3.08Å
466	H	87.7	Confident	84.1	Confident	5 Å²	5	26 Å²	26	2%	0.023	13%	0.129	C	C	.	.	H	α-helix	trans	-69.5	-56.4	176.2	-71.4	-60.9	0	0	0	111.7	R111 M141 E216 Q462 N463 G464 S468 R469 I470	R111-H466 PolarHBondContact NH2-CE1 2.86Å; M141-H466 HydrophobicContact CE-CB 4.01Å; M141-H466 WeakPolarHBondContact CE-O 3.38Å; E216-H466 IonicContact OE1-CE1 3.61Å; E216-H466 IonicContact OE1-NE2 3.01Å; E216-H466 PolarHBondContact OE1-NE2 3.1Å; Q462-H466 PolarHBondContact O-CD2 2.89Å; Q462-H466 PolarHBondContact O-N 3.44Å; N463-H466 WeakPolarHBondContact O-CB 3.02Å; N463-H466 PolarHBondContact O-N 2.89Å; G464-H466 PolarHBondContact O-N 2.72Å; H466-S468 VanDerWaalsContact C-N 3.27Å; H466-S468 PolarHBondContact O-N 3.28Å; H466-R469 PolarHBondContact CE1-NH2 3.23Å; H466-R469 PolarHBondContact ND1-NH2 2.86Å; H466-R469 WeakPolarHBondContact O-CB 3.36Å; H466-R469 PolarHBondContact O-N 3.09Å; H466-I470 PolarHBondContact O-N 2.87Å
467	V	87.7	Confident	82.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.4	-34.6	-175.7	179.4	0	0	0	0	111.8	V259 N463 R469 I470 Y471	V259-V467 HydrophobicContact CG1-CG2 4.43Å; V259-V467 HydrophobicContact CG2-CG1 4.06Å; N463-V467 PolarHBondContact O-N 3.06Å; V467-R469 VanDerWaalsContact C-N 3.29Å; V467-R469 PolarHBondContact O-N 2.76Å; V467-I470 PolarHBondContact O-N 2.81Å; V467-Y471 PolarHBondContact O-N 3.37Å
468	S	84.7	Confident	80.7	Confident	2 Å²	2	24.8 Å²	24.8	1%	0.014	13%	0.132	C	C	.	.	H	α-helix	trans	-60.1	-35.8	171.8	-179.3	0	0	0	0	112.7	G464 H466 I470 Y471 A472 G473 T474 R493	G464-S468 WeakPolarHBondContact O-CB 3.31Å; G464-S468 PolarHBondContact O-N 2.81Å; G464-S468 VanDerWaalsContact O-N 3.07Å; H466-S468 VanDerWaalsContact C-N 3.27Å; H466-S468 PolarHBondContact O-N 3.28Å; S468-I470 PolarHBondContact O-N 3.38Å; S468-Y471 PolarHBondContact O-N 3.35Å; S468-A472 WeakPolarHBondContact O-CA 3.41Å; S468-A472 WeakPolarHBondContact O-CB 3.12Å; S468-A472 PolarHBondContact O-N 3.13Å; S468-G473 PolarHBondContact O-N 3.23Å; S468-T474 CarbonylContact C-O 3.57Å; S468-T474 VanDerWaalsContact CB-O 3.26Å; S468-T474 WeakPolarHBondContact CB-O 3.34Å; S468-T474 PolarHBondContact OG-O 3Å; S468-R493 PolarHBondContact OG-NH2 2.95Å
469	R	83.5	Confident	78.4	Confident	86 Å²	86	26.3 Å²	26.3	33%	0.325	16%	0.155	S	C	.	.	H	α-helix	trans	-67.4	-34.7	177.2	-83.5	176.1	-87.4	161.2	-10.8	112.9	M141 D465 H466 V467 G473 T474	M141-R469 HydrophobicContact CE-CB 4.2Å; M141-R469 HydrophobicContact SD-CB 3.99Å; D465-R469 WeakPolarHBondContact O-CG 3.3Å; D465-R469 PolarHBondContact O-N 2.94Å; D465-R469 PolarHBondContact O-NE 2.88Å; H466-R469 PolarHBondContact CE1-NH2 3.23Å; H466-R469 PolarHBondContact ND1-NH2 2.86Å; H466-R469 WeakPolarHBondContact O-CB 3.36Å; H466-R469 PolarHBondContact O-N 3.09Å; V467-R469 VanDerWaalsContact C-N 3.29Å; V467-R469 PolarHBondContact O-N 2.76Å; R469-G473 WeakPolarHBondContact O-CA 3.42Å; R469-G473 PolarHBondContact O-N 3.18Å; R469-G473 VanDerWaalsContact O-N 3.07Å; R469-T474 WeakPolarHBondContact CA-O 3.02Å; R469-T474 PolarHBondContact N-O 2.76Å; R469-T474 VanDerWaalsContact N-O 3.1Å
470	I	79.7	Confident	76	Confident	9 Å²	9	30.1 Å²	30.1	5%	0.046	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-48.1	175.9	-73.5	147.1	0	0	0	110.5	M141 G213 V235 H466 V467 S468 K504	M141-I470 HydrophobicContact CB-CD1 4.22Å; M141-I470 HydrophobicContact CB-CG1 3.89Å; M141-I470 HydrophobicContact CE-CD1 3.39Å; M141-I470 HydrophobicContact CE-CG1 3.5Å; M141-I470 VanDerWaalsContact CE-CG1 3.5Å; M141-I470 HydrophobicContact CG-CD1 4.49Å; M141-I470 HydrophobicContact CG-CG1 3.82Å; M141-I470 HydrophobicContact SD-CG1 4.38Å; G213-I470 VanDerWaalsContact CA-CD1 3.43Å; V235-I470 HydrophobicContact CG2-CD1 3.98Å; H466-I470 PolarHBondContact O-N 2.87Å; V467-I470 PolarHBondContact O-N 2.81Å; S468-I470 PolarHBondContact O-N 3.38Å; I470-K504 PolarHBondContact O-NZ 3.08Å
471	Y	74.9	Confident	74.1	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-88	-37.6	-170.6	-166.6	-119.2	0	0	0	114.2	G241 R243 V246 R247 N257 D413 L415 V467 S468	G241-Y471 WeakPolarHBondContact O-CD2 3.42Å; G241-Y471 WeakPolarHBondContact O-CE2 3.04Å; R243-Y471 VanDerWaalsContact CA-CZ 3.41Å; R243-Y471 HydrophobicContact CB-CD1 4.09Å; R243-Y471 HydrophobicContact CB-CE1 3.71Å; R243-Y471 HydrophobicContact CB-CE2 4.45Å; R243-Y471 HydrophobicContact CG-CD1 4.36Å; R243-Y471 HydrophobicContact CG-CE1 3.7Å; R243-Y471 PolarHBondContact N-O 3.49Å; V246-Y471 PolarHBondContact O-OH 3.4Å; R247-Y471 VanDerWaalsContact CD-OH 3.25Å; R247-Y471 WeakPolarHBondContact CD-OH 3.13Å; R247-Y471 PolarHBondContact NE-OH 3.02Å; R247-Y471 PolarHBondContact NH1-OH 3.03Å; N257-Y471 HydrophobicContact CB-CD2 3.96Å; N257-Y471 HydrophobicContact CB-CE2 3.84Å; N257-Y471 HydrophobicContact CB-CG 4.46Å; D413-Y471 WeakPolarHBondContact O-CE1 3.42Å; L415-Y471 HydrophobicContact CD1-CD1 4.14Å; L415-Y471 HydrophobicContact CD2-CD1 4.11Å; L415-Y471 HydrophobicContact CG-CD1 4.19Å; V467-Y471 PolarHBondContact O-N 3.37Å; S468-Y471 PolarHBondContact O-N 3.35Å
472	A	70.8	Confident	72.6	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-114.9	-1.4	-175	0	0	0	0	0	114.8	L415 S468 T474 R493	L415-A472 HydrophobicContact CD1-CB 4.01Å; S468-A472 WeakPolarHBondContact O-CA 3.41Å; S468-A472 WeakPolarHBondContact O-CB 3.12Å; S468-A472 PolarHBondContact O-N 3.13Å; A472-T474 PolarHBondContact O-N 3.25Å; A472-R493 HydrophobicContact CB-CG 4.46Å
473	G	69.3	Low	71.3	Confident	20 Å²	20	38 Å²	38	21%	0.206	24%	0.235	C	C	.	.	S	Bend	trans	78.1	-7.3	178.4	0	0	0	0	0	115.8	S468 R469 Q496	S468-G473 PolarHBondContact O-N 3.23Å; R469-G473 WeakPolarHBondContact O-CA 3.42Å; R469-G473 PolarHBondContact O-N 3.18Å; R469-G473 VanDerWaalsContact O-N 3.07Å; G473-Q496 PolarHBondContact O-NE2 2.95Å; G473-Q496 VanDerWaalsContact O-NE2 3.15Å; G473-Q496 PolarHBondContact O-OE1 2.99Å
474	T	65	Low	69.5	Low	11 Å²	11	43.7 Å²	43.7	7%	0.067	26%	0.264	C	S	.	.	S	Bend	trans	-137.6	163.7	-179.2	65.1	0	0	0	0	112.2	S468 R469 A472 V492 R493	S468-T474 CarbonylContact C-O 3.57Å; S468-T474 VanDerWaalsContact CB-O 3.26Å; S468-T474 WeakPolarHBondContact CB-O 3.34Å; S468-T474 PolarHBondContact OG-O 3Å; R469-T474 WeakPolarHBondContact CA-O 3.02Å; R469-T474 PolarHBondContact N-O 2.76Å; R469-T474 VanDerWaalsContact N-O 3.1Å; A472-T474 PolarHBondContact O-N 3.25Å; T474-V492 HydrophobicContact CG2-CB 3.88Å; T474-V492 HydrophobicContact CG2-CG1 3.58Å; T474-R493 HydrophobicContact CG2-CB 4.4Å; T474-R493 HydrophobicContact CG2-CG 3.61Å; T474-R493 WeakPolarHBondContact OG1-CD 3.39Å; T474-R493 WeakPolarHBondContact OG1-CG 3.48Å; T474-R493 PolarHBondContact OG1-NE 2.91Å
475	G	63.3	Low	67.8	Low	9 Å²	9	47.8 Å²	47.8	9%	0.093	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-61.9	162	172.9	0	0	0	0	0	113.1	D465 R493	D465-G475 WeakPolarHBondContact OD1-CA 3.48Å; G475-R493 PolarHBondContact O-NH2 3.42Å
476	A	66.4	Low	66.7	Low	11 Å²	11	48.3 Å²	48.3	9%	0.091	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-61	155.2	-175.1	0	0	0	0	0	112.9	D416 D465 R489	D416-A476 WeakPolarHBondContact OD1-CB 3.48Å; D465-A476 PolarHBondContact OD1-N 3.45Å; A476-R489 PolarHBondContact O-NH1 3.44Å
477	L	66.5	Low	65.1	Low	56 Å²	56	51 Å²	51	29%	0.293	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-85.3	135.3	169.9	-62.6	171.3	0	0	0	107.8	D416 D486 R489 R493	D416-L477 PolarHBondContact OD1-N 3.14Å; L477-D486 HydrophobicContact CD2-CB 4.05Å; L477-R489 HydrophobicContact CD2-CB 4.3Å; L477-R493 VanDerWaalsContact CD1-NH1 3.3Å; L477-R493 VanDerWaalsContact CG-NH1 3.33Å
478	G	54.5	Low	63.4	Low	22 Å²	22	56.3 Å²	56.3	23%	0.227	33%	0.329	C	S	.	.			trans	-125.2	132.5	-175	0	0	0	0	0	112.8	G480	G478-G480 PolarHBondContact O-N 2.79Å
479	S	46.2	Very low	62.6	Low	141 Å²	141	58.3 Å²	58.3	99%	0.986	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	117.4	162.9	-167.4	0	0	0	0	108.6
480	G	47	Very low	61	Low	84 Å²	84	57.3 Å²	57.3	87%	0.866	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.2	2.1	-180	0	0	0	0	0	116.5	G478	G478-G480 PolarHBondContact O-N 2.79Å
481	R	54.9	Low	59.1	Low	52 Å²	52	59.4 Å²	59.4	20%	0.196	36%	0.358	C	S	.	.	S	Bend	trans	-95.7	165.3	172.2	-75.1	159.8	160.9	-162	-3.6	110.8	Q461 D465 K483 R485	Q461-R481 VanDerWaalsContact CD-NH2 3.25Å; Q461-R481 VanDerWaalsContact NE2-CZ 3.33Å; D465-R481 IonicContact OD1-CZ 4Å; D465-R481 IonicContact OD1-NH1 2.96Å; D465-R481 PolarHBondContact OD1-NH1 3.44Å; D465-R481 IonicContact OD2-CZ 3.42Å; D465-R481 IonicContact OD2-NH1 3.07Å; D465-R481 PolarHBondContact OD2-NH1 3.03Å; D465-R481 IonicContact OD2-NH2 2.81Å; D465-R481 PolarHBondContact OD2-NH2 3.21Å; R481-K483 PolarHBondContact O-N 3.08Å; R481-R485 VanDerWaalsContact CG-NH2 3.31Å
482	S	60.3	Low	57.9	Low	71 Å²	71	62.3 Å²	62.3	50%	0.497	38%	0.376	S	S	.	.			trans	-59.3	126.9	178.9	67.5	0	0	0	0	110.7	L484 R485 D486	S482-L484 PolarHBondContact O-N 3.06Å; S482-L484 VanDerWaalsContact O-N 3.08Å; S482-R485 PolarHBondContact O-N 3.05Å; S482-R485 VanDerWaalsContact OG-CB 3.22Å; S482-R485 WeakPolarHBondContact OG-CB 3.44Å; S482-R485 PolarHBondContact OG-N 2.92Å; S482-D486 PolarHBondContact O-N 3.14Å
483	K	65.9	Low	57.4	Low	191 Å²	191	63.2 Å²	63.2	83%	0.83	38%	0.38	S	S	*	.	H	α-helix	trans	-53.7	-31.9	178.8	-67	-177.1	178.8	178	0	113.4	R481 D486 A487	R481-K483 PolarHBondContact O-N 3.08Å; K483-D486 PolarHBondContact O-N 2.79Å; K483-A487 PolarHBondContact O-N 2.97Å; K483-A487 VanDerWaalsContact O-N 3.08Å
484	L	55	Low	56.3	Low	123 Å²	123	64.2 Å²	64.2	64%	0.644	38%	0.382	S	S	*	.	H	α-helix	trans	-62.7	-45.7	177.6	-177.1	66.1	0	0	0	112.3	S482 D486 A487 Q488	S482-L484 PolarHBondContact O-N 3.06Å; S482-L484 VanDerWaalsContact O-N 3.08Å; L484-D486 VanDerWaalsContact C-N 3.33Å; L484-D486 PolarHBondContact O-N 3.28Å; L484-A487 PolarHBondContact O-N 3.08Å; L484-Q488 WeakPolarHBondContact O-CG 3.34Å; L484-Q488 PolarHBondContact O-N 2.96Å
485	R	54.2	Low	55.5	Low	90 Å²	90	68.4 Å²	68.4	34%	0.34	40%	0.403	S	S	.	.	H	α-helix	trans	-66.6	-34.9	179.8	-166.1	176	78	178.3	8.6	112.3	R481 S482 Q488 R489	R481-R485 VanDerWaalsContact CG-NH2 3.31Å; S482-R485 PolarHBondContact O-N 3.05Å; S482-R485 VanDerWaalsContact OG-CB 3.22Å; S482-R485 WeakPolarHBondContact OG-CB 3.44Å; S482-R485 PolarHBondContact OG-N 2.92Å; R485-Q488 PolarHBondContact O-N 3.42Å; R485-R489 WeakPolarHBondContact O-CB 3.44Å; R485-R489 VanDerWaalsContact O-CG 3.29Å; R485-R489 WeakPolarHBondContact O-CG 3.42Å; R485-R489 PolarHBondContact O-N 3.21Å
486	D	62.5	Low	55	Low	30 Å²	30	70.7 Å²	70.7	16%	0.16	41%	0.411	C	S	.	.	H	α-helix	trans	-70.5	-37.3	175.8	-71.1	-14.2	0	0	0	111.7	L477 S482 K483 L484 R489 T490	L477-D486 HydrophobicContact CD2-CB 4.05Å; S482-D486 PolarHBondContact O-N 3.14Å; K483-D486 PolarHBondContact O-N 2.79Å; L484-D486 VanDerWaalsContact C-N 3.33Å; L484-D486 PolarHBondContact O-N 3.28Å; D486-R489 PolarHBondContact O-N 3.21Å; D486-T490 WeakPolarHBondContact O-CB 3.32Å; D486-T490 PolarHBondContact O-N 3.02Å; D486-T490 PolarHBondContact O-OG1 3.26Å
487	A	55.2	Low	54.5	Low	60 Å²	60	71 Å²	71	50%	0.496	41%	0.411	S	S	.	.	H	α-helix	trans	-63.6	-44.8	172	0	0	0	0	0	111.7	K483 L484 T490 A491	K483-A487 PolarHBondContact O-N 2.97Å; K483-A487 VanDerWaalsContact O-N 3.08Å; L484-A487 PolarHBondContact O-N 3.08Å; A487-T490 PolarHBondContact O-N 3.14Å; A487-A491 PolarHBondContact O-N 3.16Å
488	Q	51.5	Low	53.6	Low	112 Å²	112	70.5 Å²	70.5	52%	0.523	41%	0.412	S	S	.	.	H	α-helix	trans	-59.1	-46.5	173.7	-74.7	175	-19.7	0	0	111.8	L484 R485 T490 A491 V492	L484-Q488 WeakPolarHBondContact O-CG 3.34Å; L484-Q488 PolarHBondContact O-N 2.96Å; R485-Q488 PolarHBondContact O-N 3.42Å; Q488-T490 VanDerWaalsContact C-N 3.34Å; Q488-T490 PolarHBondContact O-N 2.86Å; Q488-A491 PolarHBondContact O-N 2.86Å; Q488-V492 WeakPolarHBondContact O-CG2 3.49Å; Q488-V492 PolarHBondContact O-N 3.46Å
489	R	67.8	Low	53.5	Low	44 Å²	44	77 Å²	77	17%	0.166	43%	0.434	C	S	.	.	H	α-helix	trans	-60.7	-43	176.2	-74	173	-174.1	-156.7	-3	111.4	D465 A476 L477 R485 D486 A491 V492 R493	D465-R489 IonicContact OD1-NH1 3.08Å; D465-R489 PolarHBondContact OD1-NH1 3.13Å; D465-R489 VanDerWaalsContact OD1-NH1 3.08Å; A476-R489 PolarHBondContact O-NH1 3.44Å; L477-R489 HydrophobicContact CD2-CB 4.3Å; R485-R489 WeakPolarHBondContact O-CB 3.44Å; R485-R489 VanDerWaalsContact O-CG 3.29Å; R485-R489 WeakPolarHBondContact O-CG 3.42Å; R485-R489 PolarHBondContact O-N 3.21Å; D486-R489 PolarHBondContact O-N 3.21Å; R489-A491 VanDerWaalsContact C-N 3.33Å; R489-A491 PolarHBondContact O-N 3.42Å; R489-V492 PolarHBondContact O-N 3.28Å; R489-R493 WeakPolarHBondContact O-CB 2.95Å; R489-R493 WeakPolarHBondContact O-CG 3.36Å; R489-R493 PolarHBondContact O-N 3.13Å
490	T	49.5	Very low	54.1	Low	66 Å²	66	75.2 Å²	75.2	41%	0.405	41%	0.409	S	S	.	.	H	α-helix	trans	-61.9	-40.3	177.5	-56.5	0	0	0	0	112.1	D486 A487 Q488 T494	D486-T490 WeakPolarHBondContact O-CB 3.32Å; D486-T490 PolarHBondContact O-N 3.02Å; D486-T490 PolarHBondContact O-OG1 3.26Å; A487-T490 PolarHBondContact O-N 3.14Å; Q488-T490 VanDerWaalsContact C-N 3.34Å; Q488-T490 PolarHBondContact O-N 2.86Å; T490-T494 PolarHBondContact O-N 2.8Å; T490-T494 VanDerWaalsContact O-N 3.12Å; T490-T494 PolarHBondContact O-OG1 3.43Å
491	A	41.5	Very low	55.1	Low	52 Å²	52	71.6 Å²	71.6	43%	0.43	37%	0.369	S	S	.	.	H	α-helix	trans	-68	-44.7	175.5	0	0	0	0	0	112.3	A487 Q488 R489 T494 I495	A487-A491 PolarHBondContact O-N 3.16Å; Q488-A491 PolarHBondContact O-N 2.86Å; R489-A491 VanDerWaalsContact C-N 3.33Å; R489-A491 PolarHBondContact O-N 3.42Å; A491-T494 WeakPolarHBondContact O-CB 3.37Å; A491-T494 PolarHBondContact O-N 2.86Å; A491-I495 WeakPolarHBondContact O-CG1 3.44Å; A491-I495 PolarHBondContact O-N 3.45Å
492	V	48.2	Very low	56	Low	64 Å²	64	72.2 Å²	72.2	39%	0.388	38%	0.382	S	S	.	.	H	α-helix	trans	-64.6	-42.5	177	174.7	0	0	0	0	111.3	T474 Q488 R489 T494 I495 Q496	T474-V492 HydrophobicContact CG2-CB 3.88Å; T474-V492 HydrophobicContact CG2-CG1 3.58Å; Q488-V492 WeakPolarHBondContact O-CG2 3.49Å; Q488-V492 PolarHBondContact O-N 3.46Å; R489-V492 PolarHBondContact O-N 3.28Å; V492-T494 VanDerWaalsContact C-N 3.29Å; V492-T494 PolarHBondContact O-N 3.25Å; V492-I495 PolarHBondContact O-N 3.46Å; V492-Q496 HydrophobicContact CG1-CG 4.11Å; V492-Q496 WeakPolarHBondContact O-CB 3.45Å; V492-Q496 WeakPolarHBondContact O-CG 3.17Å; V492-Q496 PolarHBondContact O-N 3.3Å
493	R	61.2	Low	56.9	Low	18 Å²	18	69.9 Å²	69.9	7%	0.068	37%	0.367	C	S	.	.	H	α-helix	trans	-49.7	-54.9	171	-76.2	173.6	-173.1	-161	-5.6	109.3	S468 A472 T474 G475 L477 R489 I495 Q496 H497	S468-R493 PolarHBondContact OG-NH2 2.95Å; A472-R493 HydrophobicContact CB-CG 4.46Å; T474-R493 HydrophobicContact CG2-CB 4.4Å; T474-R493 HydrophobicContact CG2-CG 3.61Å; T474-R493 WeakPolarHBondContact OG1-CD 3.39Å; T474-R493 WeakPolarHBondContact OG1-CG 3.48Å; T474-R493 PolarHBondContact OG1-NE 2.91Å; G475-R493 PolarHBondContact O-NH2 3.42Å; L477-R493 VanDerWaalsContact CD1-NH1 3.3Å; L477-R493 VanDerWaalsContact CG-NH1 3.33Å; R489-R493 WeakPolarHBondContact O-CB 2.95Å; R489-R493 WeakPolarHBondContact O-CG 3.36Å; R489-R493 PolarHBondContact O-N 3.13Å; R493-I495 VanDerWaalsContact C-N 3.34Å; R493-I495 PolarHBondContact O-N 2.85Å; R493-Q496 PolarHBondContact O-N 3.25Å; R493-H497 VanDerWaalsContact O-CB 3.31Å; R493-H497 WeakPolarHBondContact O-CB 3.38Å; R493-H497 PolarHBondContact O-CD2 3.43Å; R493-H497 PolarHBondContact O-N 3.3Å
494	T	46.5	Very low	57.7	Low	41 Å²	41	63 Å²	63	25%	0.252	34%	0.337	S	S	.	.	H	α-helix	trans	-55.8	-43.6	-178.5	-60.2	0	0	0	0	113.3	V292 T490 A491 V492 S498	V292-T494 HydrophobicContact CB-CG2 4.49Å; V292-T494 HydrophobicContact CG1-CG2 4.32Å; V292-T494 HydrophobicContact CG2-CG2 3.35Å; T490-T494 PolarHBondContact O-N 2.8Å; T490-T494 VanDerWaalsContact O-N 3.12Å; T490-T494 PolarHBondContact O-OG1 3.43Å; A491-T494 WeakPolarHBondContact O-CB 3.37Å; A491-T494 PolarHBondContact O-N 2.86Å; V492-T494 VanDerWaalsContact C-N 3.29Å; V492-T494 PolarHBondContact O-N 3.25Å; T494-S498 PolarHBondContact O-N 3.47Å; T494-S498 PolarHBondContact O-OG 2.97Å
495	I	46.5	Very low	59	Low	99 Å²	99	57.9 Å²	57.9	51%	0.508	31%	0.31	S	S	.	.	H	α-helix	trans	-70.1	-46	178.9	-66.7	168.4	0	0	0	111.6	A491 V492 R493 H497 S498 F499	A491-I495 WeakPolarHBondContact O-CG1 3.44Å; A491-I495 PolarHBondContact O-N 3.45Å; V492-I495 PolarHBondContact O-N 3.46Å; R493-I495 VanDerWaalsContact C-N 3.34Å; R493-I495 PolarHBondContact O-N 2.85Å; I495-H497 VanDerWaalsContact C-N 3.32Å; I495-H497 PolarHBondContact O-N 3.1Å; I495-S498 PolarHBondContact O-N 3.07Å; I495-F499 PolarHBondContact O-N 3.34Å
496	Q	54.3	Low	60.3	Low	58 Å²	58	60 Å²	60	27%	0.271	32%	0.324	S	S	.	.	H	α-helix	trans	-61.4	-43	178.4	-74.1	174.2	-30.8	0	0	111.6	G473 V492 R493 S498 F500 D501	G473-Q496 PolarHBondContact O-NE2 2.95Å; G473-Q496 VanDerWaalsContact O-NE2 3.15Å; G473-Q496 PolarHBondContact O-OE1 2.99Å; V492-Q496 HydrophobicContact CG1-CG 4.11Å; V492-Q496 WeakPolarHBondContact O-CB 3.45Å; V492-Q496 WeakPolarHBondContact O-CG 3.17Å; V492-Q496 PolarHBondContact O-N 3.3Å; R493-Q496 PolarHBondContact O-N 3.25Å; Q496-S498 VanDerWaalsContact C-N 3.33Å; Q496-S498 PolarHBondContact O-N 2.9Å; Q496-F500 PolarHBondContact O-N 3.5Å; Q496-D501 PolarHBondContact O-N 3Å
497	H	54.7	Low	61.5	Low	18 Å²	18	58.8 Å²	58.8	8%	0.083	32%	0.317	C	S	.	.	H	α-helix	trans	-59	-42	176.5	-70.3	-47.6	0	0	0	113.3	F244 R493 I495 D501	F244-H497 HydrophobicContact CD2-CB 4.13Å; F244-H497 AromaticContact CD2-CG 3.97Å; F244-H497 AromaticContact CD2-ND1 3.85Å; F244-H497 HydrophobicContact CE2-CB 3.94Å; F244-H497 AromaticContact CE2-CD2 3.7Å; F244-H497 AromaticContact CE2-CE1 3.94Å; F244-H497 AromaticContact CE2-CG 3.57Å; F244-H497 AromaticContact CE2-ND1 3.74Å; F244-H497 AromaticContact CE2-NE2 3.95Å; R493-H497 VanDerWaalsContact O-CB 3.31Å; R493-H497 WeakPolarHBondContact O-CB 3.38Å; R493-H497 PolarHBondContact O-CD2 3.43Å; R493-H497 PolarHBondContact O-N 3.3Å; I495-H497 VanDerWaalsContact C-N 3.32Å; I495-H497 PolarHBondContact O-N 3.1Å; H497-D501 WeakPolarHBondContact CA-OD2 3.37Å; H497-D501 IonicContact CE1-OD2 3.97Å; H497-D501 IonicContact CG-OD2 3.87Å; H497-D501 IonicContact ND1-OD2 2.61Å; H497-D501 PolarHBondContact ND1-OD2 3.42Å
498	S	47.7	Very low	63.1	Low	44 Å²	44	56 Å²	56	31%	0.308	29%	0.294	S	S	.	.	H	α-helix	trans	-77.8	-26.1	-171.6	-56.9	0	0	0	0	113.9	T494 I495 Q496	T494-S498 PolarHBondContact O-N 3.47Å; T494-S498 PolarHBondContact O-OG 2.97Å; I495-S498 PolarHBondContact O-N 3.07Å; Q496-S498 VanDerWaalsContact C-N 3.33Å; Q496-S498 PolarHBondContact O-N 2.9Å
499	F	52.6	Low	64.7	Low	160 Å²	160	55 Å²	55	70%	0.702	29%	0.289	S	S	*	.	H	α-helix	trans	-123.8	-23.7	-169.2	-67.7	-79.4	0	0	0	115.3	I495	I495-F499 PolarHBondContact O-N 3.34Å
500	F	59.6	Low	65.6	Low	103 Å²	103	54.8 Å²	54.8	45%	0.452	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-9.7	-171.1	-62	-68.7	0	0	0	114.9	Q496 K504	Q496-F500 PolarHBondContact O-N 3.5Å; F500-K504 WeakPolarHBondContact O-CB 3.2Å; F500-K504 PolarHBondContact O-N 2.98Å; F500-K504 VanDerWaalsContact O-N 3.14Å
501	D	67.5	Low	67.5	Low	7 Å²	7	51.7 Å²	51.7	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-69	-33.9	-175	-87.9	0.6	0	0	0	113.5	T242 Q496 H497 K504 Q505	T242-D501 WeakPolarHBondContact CB-OD2 3.25Å; T242-D501 HydrophobicContact CG2-CB 3.98Å; Q496-D501 PolarHBondContact O-N 3Å; H497-D501 WeakPolarHBondContact CA-OD2 3.37Å; H497-D501 IonicContact CE1-OD2 3.97Å; H497-D501 IonicContact CG-OD2 3.87Å; H497-D501 IonicContact ND1-OD2 2.61Å; H497-D501 PolarHBondContact ND1-OD2 3.42Å; D501-K504 PolarHBondContact O-N 2.71Å; D501-Q505 WeakPolarHBondContact O-CB 3.34Å; D501-Q505 PolarHBondContact O-N 3.49Å
502	S	73.2	Confident	69.8	Low	65 Å²	65	50.2 Å²	50.2	46%	0.455	26%	0.256	S	S	.	.	H	α-helix	trans	-69.6	-45.4	178.9	-51.7	0	0	0	0	112.1	H245 K504 Q505 E506	H245-S502 PolarHBondContact NE2-OG 2.61Å; S502-K504 VanDerWaalsContact C-N 3.28Å; S502-K504 PolarHBondContact O-N 2.97Å; S502-Q505 WeakPolarHBondContact O-CB 3.38Å; S502-Q505 PolarHBondContact O-N 2.8Å; S502-E506 PolarHBondContact O-N 3.09Å
503	A	79.1	Confident	71.5	Confident	23 Å²	23	48.2 Å²	48.2	19%	0.19	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-39.4	174.6	0	0	0	0	0	111.9	D132 E506 A507	D132-A503 HydrophobicContact CB-CB 4.29Å; A503-E506 PolarHBondContact O-N 3.08Å; A503-A507 WeakPolarHBondContact O-CB 2.97Å; A503-A507 PolarHBondContact O-N 2.95Å
504	K	82.8	Confident	72.2	Confident	46 Å²	46	48.5 Å²	48.5	20%	0.2	25%	0.248	C	C	.	.	H	α-helix	trans	-64.1	-40	172.9	-171.4	178	-174.5	-178.7	0	112.3	L136 T242 I470 F500 D501 S502 A507 M508	L136-K504 HydrophobicContact CD1-CG 4.24Å; T242-K504 HydrophobicContact CG2-CB 4.44Å; T242-K504 HydrophobicContact CG2-CD 3.92Å; T242-K504 HydrophobicContact CG2-CG 4.37Å; I470-K504 PolarHBondContact O-NZ 3.08Å; F500-K504 WeakPolarHBondContact O-CB 3.2Å; F500-K504 PolarHBondContact O-N 2.98Å; F500-K504 VanDerWaalsContact O-N 3.14Å; D501-K504 PolarHBondContact O-N 2.71Å; S502-K504 VanDerWaalsContact C-N 3.28Å; S502-K504 PolarHBondContact O-N 2.97Å; K504-A507 PolarHBondContact O-N 3.38Å; K504-M508 HydrophobicContact CD-CE 4.22Å; K504-M508 HydrophobicContact CG-CE 3.98Å; K504-M508 WeakPolarHBondContact O-CG 3.44Å; K504-M508 PolarHBondContact O-N 3.11Å
505	Q	83.4	Confident	74.1	Confident	15 Å²	15	47.1 Å²	47.1	7%	0.07	24%	0.24	C	C	.	.	H	α-helix	trans	-64	-45.6	177.2	-171	64.8	43.4	0	0	111.2	P240 H245 D501 S502 A507 M508 H509	P240-Q505 PolarHBondContact O-NE2 3.45Å; H245-Q505 HydrophobicContact CB-CG 4.4Å; D501-Q505 WeakPolarHBondContact O-CB 3.34Å; D501-Q505 PolarHBondContact O-N 3.49Å; S502-Q505 WeakPolarHBondContact O-CB 3.38Å; S502-Q505 PolarHBondContact O-N 2.8Å; Q505-A507 PolarHBondContact O-N 3.12Å; Q505-M508 PolarHBondContact O-N 3.05Å; Q505-H509 PolarHBondContact NE2-NE2 3.4Å; Q505-H509 PolarHBondContact O-CD2 3.39Å; Q505-H509 PolarHBondContact O-N 3Å
506	E	81.4	Confident	76	Confident	136 Å²	136	42.9 Å²	42.9	64%	0.636	22%	0.219	S	C	*	.	H	α-helix	trans	-61.7	-43	176.1	-71.4	176.9	-176.8	0	0	111.7	S502 A503 M508 H509 M510	S502-E506 PolarHBondContact O-N 3.09Å; A503-E506 PolarHBondContact O-N 3.08Å; E506-M508 PolarHBondContact O-N 3.45Å; E506-H509 PolarHBondContact O-N 2.9Å; E506-M510 PolarHBondContact O-N 2.85Å
507	A	87.4	Confident	77.6	Confident	3 Å²	3	40.4 Å²	40.4	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-41.7	174.4	0	0	0	0	0	112.9	D132 L133 L136 A503 K504 Q505 M510 L511	D132-A507 HydrophobicContact CB-CB 4.19Å; L133-A507 HydrophobicContact CB-CB 4.33Å; L136-A507 HydrophobicContact CB-CB 4.18Å; L136-A507 HydrophobicContact CD2-CB 3.85Å; A503-A507 WeakPolarHBondContact O-CB 2.97Å; A503-A507 PolarHBondContact O-N 2.95Å; K504-A507 PolarHBondContact O-N 3.38Å; Q505-A507 PolarHBondContact O-N 3.12Å; A507-M510 PolarHBondContact O-N 2.75Å; A507-L511 WeakPolarHBondContact O-CB 3.49Å; A507-L511 PolarHBondContact O-N 2.79Å
508	M	88.6	Confident	79	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-44.3	175	-70.8	176.5	178.9	0	0	111.8	L136 W188 P240 K504 Q505 E506 M510 L511 L512	L136-M508 HydrophobicContact CD1-CE 4.17Å; L136-M508 HydrophobicContact CD1-CG 4.48Å; L136-M508 HydrophobicContact CD2-CB 4.48Å; L136-M508 HydrophobicContact CD2-CG 3.78Å; W188-M508 HydrophobicContact CH2-CE 4.45Å; W188-M508 HydrophobicContact CH2-SD 4.46Å; W188-M508 HydrophobicContact CZ3-CG 4.16Å; P240-M508 HydrophobicContact CB-SD 4.04Å; K504-M508 HydrophobicContact CD-CE 4.22Å; K504-M508 HydrophobicContact CG-CE 3.98Å; K504-M508 WeakPolarHBondContact O-CG 3.44Å; K504-M508 PolarHBondContact O-N 3.11Å; Q505-M508 PolarHBondContact O-N 3.05Å; E506-M508 PolarHBondContact O-N 3.45Å; M508-M510 VanDerWaalsContact C-N 3.33Å; M508-M510 PolarHBondContact O-N 2.66Å; M508-L511 PolarHBondContact O-N 3.17Å; M508-L512 WeakPolarHBondContact O-CB 3.47Å; M508-L512 WeakPolarHBondContact O-CG 3.31Å; M508-L512 PolarHBondContact O-N 3.42Å; M508-L512 VanDerWaalsContact O-N 3.12Å
509	H	85.2	Confident	80.6	Confident	90 Å²	90	39.9 Å²	39.9	42%	0.417	20%	0.203	S	C	.	.	H	α-helix	trans	-63.5	-38.9	178	-76.5	-62	0	0	0	112.6	Q505 E506 S513	Q505-H509 PolarHBondContact NE2-NE2 3.4Å; Q505-H509 PolarHBondContact O-CD2 3.39Å; Q505-H509 PolarHBondContact O-N 3Å; E506-H509 PolarHBondContact O-N 2.9Å; H509-S513 PolarHBondContact O-N 3.41Å; H509-S513 VanDerWaalsContact O-N 3.16Å
510	M	86.4	Confident	82	Confident	40 Å²	40	37 Å²	37	20%	0.197	19%	0.187	C	C	.	.	H	α-helix	trans	-65.3	-45.4	176.5	-177.7	160.6	61.1	0	0	111.8	L73 Y130 L133 E506 A507 M508 L512 S513	L73-M510 HydrophobicContact CD1-CG 4.1Å; Y130-M510 HydrophobicContact CD1-CE 3.58Å; Y130-M510 HydrophobicContact CD1-SD 3.78Å; Y130-M510 HydrophobicContact CD2-CE 4.45Å; Y130-M510 HydrophobicContact CE1-CE 4.41Å; Y130-M510 HydrophobicContact CE1-SD 4.01Å; Y130-M510 HydrophobicContact CG-CE 3.65Å; Y130-M510 HydrophobicContact CG-SD 4.14Å; L133-M510 HydrophobicContact CB-CE 3.55Å; L133-M510 HydrophobicContact CD2-CE 3.69Å; L133-M510 HydrophobicContact CD2-CG 4.43Å; L133-M510 HydrophobicContact CG-CE 4.17Å; E506-M510 PolarHBondContact O-N 2.85Å; A507-M510 PolarHBondContact O-N 2.75Å; M508-M510 VanDerWaalsContact C-N 3.33Å; M508-M510 PolarHBondContact O-N 2.66Å; M510-L512 VanDerWaalsContact C-N 3.29Å; M510-L512 PolarHBondContact O-N 3.07Å; M510-S513 PolarHBondContact O-N 2.65Å
511	L	90.6	Very high	83.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.5	-36	178.6	180	58.5	0	0	0	113.1	L133 L136 L137 F142 W188 L192 A507 M508	L133-L511 HydrophobicContact CD1-CB 3.84Å; L133-L511 HydrophobicContact CD1-CD1 4.43Å; L133-L511 HydrophobicContact CD1-CD2 4.49Å; L133-L511 HydrophobicContact CD1-CG 4.48Å; L136-L511 HydrophobicContact CD2-CD2 4.46Å; L137-L511 HydrophobicContact CD2-CD1 4.28Å; L137-L511 HydrophobicContact CD2-CD2 3.86Å; F142-L511 HydrophobicContact CE1-CD2 4.16Å; F142-L511 HydrophobicContact CZ-CD2 4.13Å; W188-L511 HydrophobicContact CE3-CD2 3.98Å; W188-L511 WeakPolarHBondContact O-CG 3.44Å; L192-L511 HydrophobicContact CD1-CD1 3.79Å; L192-L511 HydrophobicContact CD2-CD1 4.37Å; L192-L511 HydrophobicContact CG-CD1 4.03Å; A507-L511 WeakPolarHBondContact O-CB 3.49Å; A507-L511 PolarHBondContact O-N 2.79Å; M508-L511 PolarHBondContact O-N 3.17Å
512	L	89.1	Confident	84.3	Confident	21 Å²	21	35 Å²	35	11%	0.11	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	7.1	-173.7	-62.6	172.4	0	0	0	113.8	W188 A237 P240 M508 M510 N514	W188-L512 HydrophobicContact CE3-CD1 4.38Å; W188-L512 HydrophobicContact CE3-CD2 4.4Å; W188-L512 HydrophobicContact CZ3-CD1 4.3Å; W188-L512 WeakPolarHBondContact O-CD2 3.5Å; A237-L512 HydrophobicContact CB-CD1 4.25Å; A237-L512 HydrophobicContact CB-CD2 3.75Å; P240-L512 HydrophobicContact CB-CD1 4.39Å; P240-L512 HydrophobicContact CG-CD1 3.3Å; M508-L512 WeakPolarHBondContact O-CB 3.47Å; M508-L512 WeakPolarHBondContact O-CG 3.31Å; M508-L512 PolarHBondContact O-N 3.42Å; M508-L512 VanDerWaalsContact O-N 3.12Å; M510-L512 VanDerWaalsContact C-N 3.29Å; M510-L512 PolarHBondContact O-N 3.07Å; L512-N514 PolarHBondContact O-N 2.9Å; L512-N514 PolarHBondContact O-OD1 2.98Å
513	S	82.8	Confident	84.9	Confident	22 Å²	22	32.4 Å²	32.4	15%	0.154	16%	0.16	C	C	.	.			trans	-67.7	116.1	173	-176.9	0	0	0	0	109.4	G191 H509 M510 K522	G191-S513 WeakPolarHBondContact CA-O 3.37Å; H509-S513 PolarHBondContact O-N 3.41Å; H509-S513 VanDerWaalsContact O-N 3.16Å; M510-S513 PolarHBondContact O-N 2.65Å; S513-K522 PolarHBondContact OG-NZ 2.96Å
514	N	77.9	Confident	85.2	Confident	24 Å²	24	31.6 Å²	31.6	13%	0.128	15%	0.153	C	C	.	.			trans	-111.6	8	-176.4	-62.8	-13.8	0	0	0	113.2	G191 L512 H535	G191-N514 WeakPolarHBondContact CA-OD1 3.5Å; G191-N514 PolarHBondContact N-OD1 3.12Å; L512-N514 PolarHBondContact O-N 2.9Å; L512-N514 PolarHBondContact O-OD1 2.98Å; N514-H535 WeakPolarHBondContact O-CA 3.26Å
515	S	85.3	Confident	85.6	Confident	12 Å²	12	29.4 Å²	29.4	8%	0.084	14%	0.144	C	C	.	.			trans	-92.2	134.6	-179.7	-169.5	0	0	0	0	111.1	L517 L534	S515-L517 VanDerWaalsContact C-N 3.32Å; S515-L517 WeakPolarHBondContact OG-CB 3.33Å; S515-L517 PolarHBondContact OG-N 2.86Å; S515-L534 WeakPolarHBondContact CA-O 3.24Å
516	S	86.8	Confident	85.9	Confident	11 Å²	11	32.3 Å²	32.3	8%	0.077	16%	0.157	C	C	.	.	S	Bend	trans	-78.3	-20.4	168.1	69.7	0	0	0	0	112.5	L534 S536 L541	S516-L534 PolarHBondContact N-O 2.88Å; S516-S536 WeakPolarHBondContact CB-O 3.41Å; S516-S536 PolarHBondContact OG-O 3.15Å; S516-L541 VanDerWaalsContact OG-CD1 3.24Å; S516-L541 WeakPolarHBondContact OG-CD1 3.48Å
517	L	88.2	Confident	86.4	Confident	5 Å²	5	26.2 Å²	26.2	3%	0.026	13%	0.129	C	C	.	.			trans	-70.9	152.9	172	-60.5	174	0	0	0	110.5	S515 M521 K522 L534 L541 T542 L545	S515-L517 VanDerWaalsContact C-N 3.32Å; S515-L517 WeakPolarHBondContact OG-CB 3.33Å; S515-L517 PolarHBondContact OG-N 2.86Å; L517-M521 HydrophobicContact CB-CB 4.4Å; L517-M521 HydrophobicContact CD2-CB 4.48Å; L517-K522 HydrophobicContact CB-CB 4.05Å; L517-L534 HydrophobicContact CD1-CD2 4.47Å; L517-L541 HydrophobicContact CD1-CB 4.26Å; L517-L541 HydrophobicContact CD1-CD1 4.15Å; L517-L541 HydrophobicContact CD2-CB 3.96Å; L517-L541 HydrophobicContact CD2-CD1 4.25Å; L517-L541 HydrophobicContact CG-CB 4.23Å; L517-L541 HydrophobicContact CG-CD1 3.79Å; L517-T542 HydrophobicContact CD2-CG2 4.11Å; L517-L545 HydrophobicContact CD1-CD1 3.79Å
518	Q	83.3	Confident	86.6	Confident	43 Å²	43	26.1 Å²	26.1	20%	0.201	13%	0.128	C	C	.	.			trans	-127.5	161.6	-176.2	-64.3	-61.8	-30.1	0	0	111.5	W520 M521 K522	Q518-W520 PolarHBondContact O-N 3.16Å; Q518-M521 PolarHBondContact O-N 2.81Å; Q518-K522 PolarHBondContact O-N 2.87Å
519	G	81.6	Confident	86.8	Confident	8 Å²	8	26.1 Å²	26.1	8%	0.082	13%	0.128	C	C	.	.	H	α-helix	trans	51.7	-133.1	176.4	0	0	0	0	0	113.7	M521 K522	G519-M521 VanDerWaalsContact C-N 3.33Å; G519-M521 PolarHBondContact O-N 3.17Å; G519-K522 PolarHBondContact O-N 3.25Å
520	W	82.8	Confident	87	Confident	99 Å²	99	21.9 Å²	21.9	38%	0.375	11%	0.108	S	C	.	.	H	α-helix	trans	-65.9	-32.9	-179.7	76.2	-95.2	0	0	0	112.8	Q518 K522 L523 V524 L855 T856 F857	Q518-W520 PolarHBondContact O-N 3.16Å; W520-K522 VanDerWaalsContact C-N 3.28Å; W520-K522 PolarHBondContact O-N 3.13Å; W520-L523 WeakPolarHBondContact O-CB 3.33Å; W520-L523 PolarHBondContact O-N 3.2Å; W520-L523 VanDerWaalsContact O-N 3.12Å; W520-V524 HydrophobicContact CE3-CB 4.32Å; W520-V524 HydrophobicContact CE3-CG2 3.69Å; W520-V524 HydrophobicContact CZ3-CB 4.33Å; W520-V524 HydrophobicContact CZ3-CG2 4.01Å; W520-V524 WeakPolarHBondContact O-CG2 3.33Å; W520-V524 PolarHBondContact O-N 3.44Å; W520-L855 HydrophobicContact CZ3-CD2 4.29Å; W520-T856 VanDerWaalsContact CH2-O 3.25Å; W520-T856 WeakPolarHBondContact CH2-O 3.17Å; W520-F857 AromaticContact CH2-CD1 3.9Å; W520-F857 HydrophobicContact CH2-CD1 3.9Å; W520-F857 AromaticContact CH2-CE1 3.8Å; W520-F857 HydrophobicContact CH2-CE1 3.8Å; W520-F857 HydrophobicContact CH2-CZ 4.5Å; W520-F857 HydrophobicContact CZ3-CD1 4.27Å; W520-F857 AromaticContact CZ3-CE1 3.68Å; W520-F857 HydrophobicContact CZ3-CE1 3.68Å; W520-F857 HydrophobicContact CZ3-CZ 4.19Å
521	M	87.1	Confident	86.9	Confident	44 Å²	44	25.9 Å²	25.9	22%	0.217	12%	0.121	C	C	.	.	H	α-helix	trans	-63.3	-35.4	179.8	-67.2	179.5	-179.8	0	0	111.8	L517 Q518 G519 G525 T542 P858	L517-M521 HydrophobicContact CB-CB 4.4Å; L517-M521 HydrophobicContact CD2-CB 4.48Å; Q518-M521 PolarHBondContact O-N 2.81Å; G519-M521 VanDerWaalsContact C-N 3.33Å; G519-M521 PolarHBondContact O-N 3.17Å; M521-G525 WeakPolarHBondContact O-CA 3.32Å; M521-G525 PolarHBondContact O-N 3.37Å; M521-T542 HydrophobicContact SD-CG2 4.31Å; M521-P858 HydrophobicContact CE-CG 3.98Å
522	K	87.2	Confident	86.7	Confident	25 Å²	25	26.1 Å²	26.1	11%	0.109	12%	0.122	C	C	.	.	H	α-helix	trans	-61.3	-49.9	172.1	179.7	-176	175.6	178.9	0	111.4	M76 S513 L517 Q518 G519 W520 V524 G525 E526	M76-K522 HydrophobicContact CE-CD 3.25Å; M76-K522 HydrophobicContact CE-CG 4.49Å; M76-K522 HydrophobicContact SD-CD 3.61Å; M76-K522 PolarHBondContact SD-NZ 2.99Å; S513-K522 PolarHBondContact OG-NZ 2.96Å; L517-K522 HydrophobicContact CB-CB 4.05Å; Q518-K522 PolarHBondContact O-N 2.87Å; G519-K522 PolarHBondContact O-N 3.25Å; W520-K522 VanDerWaalsContact C-N 3.28Å; W520-K522 PolarHBondContact O-N 3.13Å; K522-V524 PolarHBondContact O-N 3.49Å; K522-G525 PolarHBondContact O-N 3.3Å; K522-E526 WeakPolarHBondContact CE-OE1 3.48Å; K522-E526 WeakPolarHBondContact O-CG 3.36Å; K522-E526 PolarHBondContact O-N 3.04Å
523	L	85.3	Confident	86.7	Confident	10 Å²	10	25.2 Å²	25.2	5%	0.052	12%	0.117	C	C	.	.	H	α-helix	trans	-60.7	-38.1	-177	-64.1	177.3	0	0	0	111.6	P79 W520 Q527 R757	P79-L523 HydrophobicContact CG-CD1 4.26Å; W520-L523 WeakPolarHBondContact O-CB 3.33Å; W520-L523 PolarHBondContact O-N 3.2Å; W520-L523 VanDerWaalsContact O-N 3.12Å; L523-Q527 WeakPolarHBondContact O-CG 3.42Å; L523-R757 HydrophobicContact CD1-CG 4.18Å; L523-R757 HydrophobicContact CD2-CG 3.83Å; L523-R757 PolarHBondContact O-NH2 3.2Å
524	V	86.9	Confident	87.1	Confident	7 Å²	7	24.4 Å²	24.4	4%	0.042	11%	0.111	C	C	.	.	H	α-helix	trans	-77.6	-45	177	-174.6	0	0	0	0	110.3	W520 K522 E526 Q527 Y528 L855 F857	W520-V524 HydrophobicContact CE3-CB 4.32Å; W520-V524 HydrophobicContact CE3-CG2 3.69Å; W520-V524 HydrophobicContact CZ3-CB 4.33Å; W520-V524 HydrophobicContact CZ3-CG2 4.01Å; W520-V524 WeakPolarHBondContact O-CG2 3.33Å; W520-V524 PolarHBondContact O-N 3.44Å; K522-V524 PolarHBondContact O-N 3.49Å; V524-E526 VanDerWaalsContact C-N 3.27Å; V524-E526 PolarHBondContact O-N 3.04Å; V524-Q527 WeakPolarHBondContact O-CA 3.28Å; V524-Q527 VanDerWaalsContact O-CB 3.24Å; V524-Q527 WeakPolarHBondContact O-CB 3.06Å; V524-Q527 PolarHBondContact O-N 3.17Å; V524-Y528 HydrophobicContact CG1-CD2 3.83Å; V524-Y528 HydrophobicContact CG1-CE2 3.47Å; V524-Y528 VanDerWaalsContact CG1-CE2 3.47Å; V524-Y528 VanDerWaalsContact O-CD2 3.27Å; V524-Y528 WeakPolarHBondContact O-CD2 3.39Å; V524-Y528 PolarHBondContact O-N 2.91Å; V524-L855 HydrophobicContact CG1-CD1 4.22Å; V524-L855 HydrophobicContact CG1-CD2 4.04Å; V524-L855 HydrophobicContact CG2-CD2 4.11Å; V524-F857 HydrophobicContact CB-CE1 4.47Å; V524-F857 HydrophobicContact CB-CZ 4.33Å; V524-F857 HydrophobicContact CG1-CE1 4.21Å; V524-F857 HydrophobicContact CG1-CZ 3.6Å
525	G	90.8	Very high	87.5	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-53.6	-40.7	176.9	0	0	0	0	0	113.7	M521 K522 Q527 Y528 L529	M521-G525 WeakPolarHBondContact O-CA 3.32Å; M521-G525 PolarHBondContact O-N 3.37Å; K522-G525 PolarHBondContact O-N 3.3Å; G525-Q527 PolarHBondContact O-N 3.41Å; G525-Y528 PolarHBondContact O-N 3.05Å; G525-L529 WeakPolarHBondContact O-CB 3.34Å; G525-L529 PolarHBondContact O-N 2.98Å
526	E	89	Confident	87.6	Confident	75 Å²	75	22.9 Å²	22.9	35%	0.35	10%	0.102	S	C	.	.	H	α-helix	trans	-62.8	-17	173.9	-76	176	-179.8	0	0	114.4	K522 V524 L534	K522-E526 WeakPolarHBondContact CE-OE1 3.48Å; K522-E526 WeakPolarHBondContact O-CG 3.36Å; K522-E526 PolarHBondContact O-N 3.04Å; V524-E526 VanDerWaalsContact C-N 3.27Å; V524-E526 PolarHBondContact O-N 3.04Å; E526-L534 HydrophobicContact CB-CD1 4.39Å; E526-L534 HydrophobicContact CG-CD1 3.5Å; E526-L534 VanDerWaalsContact CG-CD1 3.5Å
527	Q	91.1	Very high	87.7	Confident	8 Å²	8	23 Å²	23	4%	0.037	10%	0.102	C	C	.	.	H	α-helix	trans	-85.9	-30.1	175.5	-61.5	161.8	-14.4	0	0	112.4	L523 V524 G525 A720 S722 I909	L523-Q527 WeakPolarHBondContact O-CG 3.42Å; V524-Q527 WeakPolarHBondContact O-CA 3.28Å; V524-Q527 VanDerWaalsContact O-CB 3.24Å; V524-Q527 WeakPolarHBondContact O-CB 3.06Å; V524-Q527 PolarHBondContact O-N 3.17Å; G525-Q527 PolarHBondContact O-N 3.41Å; Q527-A720 HydrophobicContact CB-CB 4.44Å; Q527-A720 PolarHBondContact OE1-O 2.97Å; Q527-S722 PolarHBondContact NE2-OG 3.28Å; Q527-S722 VanDerWaalsContact NE2-OG 3.08Å; Q527-I909 VanDerWaalsContact O-CD1 3.29Å; Q527-I909 WeakPolarHBondContact O-CD1 3.5Å
528	Y	92.4	Very high	87.7	Confident	1 Å²	1	25.4 Å²	25.4	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-103.9	-31	-173.1	-68.1	-92	0	0	0	113.6	V524 G525 L545 Y548 F551 I552 A720 L855 Q907 R914	V524-Y528 HydrophobicContact CG1-CD2 3.83Å; V524-Y528 HydrophobicContact CG1-CE2 3.47Å; V524-Y528 VanDerWaalsContact CG1-CE2 3.47Å; V524-Y528 VanDerWaalsContact O-CD2 3.27Å; V524-Y528 WeakPolarHBondContact O-CD2 3.39Å; V524-Y528 PolarHBondContact O-N 2.91Å; G525-Y528 PolarHBondContact O-N 3.05Å; Y528-L545 HydrophobicContact CD2-CD2 4.41Å; Y528-L545 HydrophobicContact CG-CD2 4.34Å; Y528-Y548 HydrophobicContact CD1-CD2 4.45Å; Y528-Y548 AromaticContact CE1-CD2 3.77Å; Y528-Y548 HydrophobicContact CE1-CD2 3.77Å; Y528-Y548 HydrophobicContact CE1-CG 4.43Å; Y528-F551 AromaticContact CD1-CE2 3.98Å; Y528-F551 HydrophobicContact CD1-CE2 3.98Å; Y528-I552 HydrophobicContact CD1-CG2 4.2Å; Y528-I552 HydrophobicContact CE1-CG2 3.85Å; Y528-A720 HydrophobicContact CD1-CB 3.93Å; Y528-A720 HydrophobicContact CE1-CB 3.66Å; Y528-A720 HydrophobicContact CE2-CB 4.23Å; Y528-A720 HydrophobicContact CG-CB 4.36Å; Y528-L855 HydrophobicContact CE2-CD1 4.3Å; Y528-L855 VanDerWaalsContact OH-CD1 3.28Å; Y528-L855 WeakPolarHBondContact OH-CD1 3.2Å; Y528-Q907 PolarHBondContact OH-OE1 3.15Å; Y528-R914 WeakPolarHBondContact O-CD 3.45Å; Y528-R914 PolarHBondContact O-NH1 3.37Å
529	L	92.8	Very high	88.1	Confident	3 Å²	3	24.4 Å²	24.4	2%	0.016	12%	0.115	C	C	.	.	S	Bend	trans	-113.5	145.6	-169.2	-56.7	-177.3	0	0	0	112.1	G525 L533 L534 L541 I544 L545 F551	G525-L529 WeakPolarHBondContact O-CB 3.34Å; G525-L529 PolarHBondContact O-N 2.98Å; L529-L533 HydrophobicContact CD2-CD2 4.44Å; L529-L534 HydrophobicContact CB-CD2 4.05Å; L529-L534 HydrophobicContact CD1-CD2 4.39Å; L529-L541 HydrophobicContact CD1-CD2 3.77Å; L529-I544 HydrophobicContact CD2-CG2 3.66Å; L529-L545 HydrophobicContact CD1-CD1 4.4Å; L529-L545 HydrophobicContact CD1-CD2 4.16Å; L529-L545 HydrophobicContact CD1-CG 4.06Å; L529-L545 HydrophobicContact CG-CD2 4.11Å; L529-F551 HydrophobicContact CD2-CZ 4.47Å
530	P	89.1	Confident	88.6	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.013	11%	0.113	C	C	.	.			trans	-56.6	139.8	172.6	-25.2	34.6	0	0	0	112.2	R532 L533 L534 E1054	P530-R532 PolarHBondContact O-N 2.81Å; P530-R532 VanDerWaalsContact O-N 3.13Å; P530-L533 HydrophobicContact CB-CB 4.43Å; P530-L533 WeakPolarHBondContact O-CB 3.49Å; P530-L533 PolarHBondContact O-N 2.8Å; P530-L534 PolarHBondContact O-N 2.91Å; P530-E1054 WeakPolarHBondContact CA-OE1 3.34Å; P530-E1054 HydrophobicContact CB-CG 4.11Å; P530-E1054 HydrophobicContact CG-CG 4.29Å; P530-E1054 WeakPolarHBondContact CG-OE1 3.35Å
531	R	85.2	Confident	89.1	Confident	123 Å²	123	19.6 Å²	19.6	46%	0.464	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-37.3	-179.1	-175.7	177.8	178.2	-165.4	-3.8	112.5	L533 L534	R531-L533 VanDerWaalsContact C-N 3.28Å; R531-L533 PolarHBondContact O-N 3.39Å; R531-L534 PolarHBondContact O-N 2.83Å
532	R	86.5	Confident	89.4	Confident	5 Å²	5	18 Å²	18	2%	0.019	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-21.6	178.8	-170.1	-175.1	-74.1	-134.8	7.3	112.2	Y177 R179 D181 P530 H535 L1046 I1049 S1050 E1053	Y177-R532 HydrophobicContact CD1-CG 4.25Å; Y177-R532 WeakPolarHBondContact O-CD 3.44Å; Y177-R532 PolarHBondContact O-NH1 2.69Å; R179-R532 PolarHBondContact O-NH1 2.82Å; R179-R532 VanDerWaalsContact O-NH1 3.17Å; D181-R532 IonicContact OD1-CZ 3.67Å; D181-R532 IonicContact OD1-NH2 3.8Å; D181-R532 PolarHBondContact OD1-NH2 2.78Å; P530-R532 PolarHBondContact O-N 2.81Å; P530-R532 VanDerWaalsContact O-N 3.13Å; R532-H535 PolarHBondContact O-CE1 2.75Å; R532-H535 PolarHBondContact O-ND1 3.04Å; R532-L1046 HydrophobicContact CG-CD1 3.79Å; R532-I1049 VanDerWaalsContact NH1-CG2 3.29Å; R532-S1050 WeakPolarHBondContact CB-OG 3.37Å; R532-E1053 WeakPolarHBondContact CB-OE2 3.42Å; R532-E1053 IonicContact CZ-OE1 2.78Å; R532-E1053 IonicContact CZ-OE2 3.57Å; R532-E1053 VanDerWaalsContact NE-CD 3.29Å; R532-E1053 IonicContact NE-OE1 3.72Å; R532-E1053 PolarHBondContact NE-OE1 3.27Å; R532-E1053 IonicContact NE-OE2 3.92Å; R532-E1053 PolarHBondContact NE-OE2 2.93Å; R532-E1053 IonicContact NH2-OE1 3.89Å; R532-E1053 PolarHBondContact NH2-OE1 2.85Å; R532-E1053 IonicContact NH2-OE2 2.7Å
533	L	89.2	Confident	89.8	Confident	2 Å²	2	17.4 Å²	17.4	1%	0.01	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-80.9	-24.4	174.9	-170.3	64.6	0	0	0	113.1	L529 P530 R531 H535 S536 L541 I544 I918 M1043 L1046	L529-L533 HydrophobicContact CD2-CD2 4.44Å; P530-L533 HydrophobicContact CB-CB 4.43Å; P530-L533 WeakPolarHBondContact O-CB 3.49Å; P530-L533 PolarHBondContact O-N 2.8Å; R531-L533 VanDerWaalsContact C-N 3.28Å; R531-L533 PolarHBondContact O-N 3.39Å; L533-H535 PolarHBondContact O-N 2.81Å; L533-S536 WeakPolarHBondContact O-CB 3.3Å; L533-S536 PolarHBondContact O-N 3.05Å; L533-S536 PolarHBondContact O-OG 2.85Å; L533-S536 VanDerWaalsContact O-OG 3.05Å; L533-L541 HydrophobicContact CG-CD2 4.08Å; L533-I544 HydrophobicContact CD2-CD1 4.22Å; L533-I918 HydrophobicContact CD2-CD1 3.68Å; L533-I918 HydrophobicContact CD2-CG1 4.11Å; L533-I918 HydrophobicContact CD2-CG2 4.07Å; L533-M1043 HydrophobicContact CD1-CE 3.8Å; L533-L1046 HydrophobicContact CD1-CD2 4.37Å
534	L	90	Very high	90.3	Very high	6 Å²	6	16.9 Å²	16.9	3%	0.031	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-62.2	-10.8	-173.1	-65.4	173.8	0	0	0	115.4	S515 S516 L517 E526 L529 P530 R531 L541	S515-L534 WeakPolarHBondContact CA-O 3.24Å; S516-L534 PolarHBondContact N-O 2.88Å; L517-L534 HydrophobicContact CD1-CD2 4.47Å; E526-L534 HydrophobicContact CB-CD1 4.39Å; E526-L534 HydrophobicContact CG-CD1 3.5Å; E526-L534 VanDerWaalsContact CG-CD1 3.5Å; L529-L534 HydrophobicContact CB-CD2 4.05Å; L529-L534 HydrophobicContact CD1-CD2 4.39Å; P530-L534 PolarHBondContact O-N 2.91Å; R531-L534 PolarHBondContact O-N 2.83Å; L534-L541 WeakPolarHBondContact O-CD1 3.36Å
535	H	86.3	Confident	90.6	Very high	3 Å²	3	16.6 Å²	16.6	1%	0.014	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-82.2	-16.2	177.2	75.5	-85.9	0	0	0	113.6	Y177 R198 N514 R532 L533	Y177-H535 AromaticContact CD1-CE1 3.75Å; Y177-H535 AromaticContact CD1-CG 3.98Å; Y177-H535 AromaticContact CD1-ND1 3.53Å; Y177-H535 AromaticContact CD2-CD2 3.37Å; Y177-H535 WeakPolarHBondContact CD2-CD2 3.2Å; Y177-H535 AromaticContact CD2-CE1 3.61Å; Y177-H535 AromaticContact CD2-CG 3.71Å; Y177-H535 AromaticContact CD2-ND1 3.83Å; Y177-H535 AromaticContact CD2-NE2 3.32Å; Y177-H535 VanDerWaalsContact CD2-NE2 3.32Å; Y177-H535 WeakPolarHBondContact CD2-NE2 3.31Å; Y177-H535 HydrophobicContact CE1-CB 3.98Å; Y177-H535 AromaticContact CE1-CG 3.74Å; Y177-H535 AromaticContact CE1-ND1 3.67Å; Y177-H535 HydrophobicContact CE2-CB 3.94Å; Y177-H535 AromaticContact CE2-CD2 3.36Å; Y177-H535 WeakPolarHBondContact CE2-CD2 3.02Å; Y177-H535 AromaticContact CE2-CG 3.48Å; Y177-H535 VanDerWaalsContact CE2-CG 3.48Å; Y177-H535 AromaticContact CE2-ND1 3.99Å; Y177-H535 AromaticContact CE2-NE2 3.86Å; Y177-H535 AromaticContact CG-CD2 3.95Å; Y177-H535 AromaticContact CG-CE1 3.39Å; Y177-H535 AromaticContact CG-CG 3.98Å; Y177-H535 AromaticContact CG-ND1 3.62Å; Y177-H535 AromaticContact CG-NE2 3.61Å; Y177-H535 AromaticContact CZ-CD2 3.95Å; Y177-H535 AromaticContact CZ-CG 3.55Å; Y177-H535 AromaticContact CZ-ND1 3.97Å; R198-H535 WeakPolarHBondContact CD-O 3.38Å; R198-H535 WeakPolarHBondContact CG-O 3.5Å; R198-H535 PolarHBondContact NH1-O 3.48Å; R198-H535 VanDerWaalsContact NH1-O 3.13Å; N514-H535 WeakPolarHBondContact O-CA 3.26Å; R532-H535 PolarHBondContact O-CE1 2.75Å; R532-H535 PolarHBondContact O-ND1 3.04Å; L533-H535 PolarHBondContact O-N 2.81Å
536	S	88.4	Confident	90.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-59.3	172.9	178.5	-58.5	0	0	0	0	112.3	S516 L533	S516-S536 WeakPolarHBondContact CB-O 3.41Å; S516-S536 PolarHBondContact OG-O 3.15Å; L533-S536 WeakPolarHBondContact O-CB 3.3Å; L533-S536 PolarHBondContact O-N 3.05Å; L533-S536 PolarHBondContact O-OG 2.85Å; L533-S536 VanDerWaalsContact O-OG 3.05Å
537	T	88.6	Confident	91	Very high	13 Å²	13	16.5 Å²	16.5	8%	0.08	8%	0.078	C	C	.	.			trans	-62.4	141.7	-176.4	56.8	0	0	0	0	111.9	R198 T539 L540 L541 Y925 I928	R198-T537 HydrophobicContact CB-CG2 4.21Å; R198-T537 HydrophobicContact CG-CG2 4.13Å; T537-T539 PolarHBondContact O-N 3.12Å; T537-L540 PolarHBondContact O-N 2.99Å; T537-L540 VanDerWaalsContact O-N 3.16Å; T537-L540 VanDerWaalsContact OG1-CB 3.22Å; T537-L540 WeakPolarHBondContact OG1-CB 3.41Å; T537-L541 WeakPolarHBondContact O-CG 3.26Å; T537-L541 PolarHBondContact O-N 2.79Å; T537-Y925 WeakPolarHBondContact OG1-CE1 3.32Å; T537-Y925 PolarHBondContact OG1-OH 3.15Å; T537-I928 HydrophobicContact CG2-CD1 4.13Å; T537-I928 HydrophobicContact CG2-CG1 3.51Å
538	P	88.9	Confident	91.2	Very high	56 Å²	56	16.7 Å²	16.7	36%	0.364	8%	0.078	S	C	.	.	H	α-helix	trans	-53.1	-41.6	179.4	-27.3	34.2	0	0	0	112.6	L541 T542	P538-L541 PolarHBondContact O-N 3.36Å; P538-T542 WeakPolarHBondContact O-CG2 3.49Å; P538-T542 PolarHBondContact O-N 2.6Å; P538-T542 PolarHBondContact O-OG1 2.83Å
539	T	90.3	Very high	91.2	Very high	23 Å²	23	18.6 Å²	18.6	14%	0.141	9%	0.091	C	C	.	.	H	α-helix	trans	-64.6	-41.7	-180	-45.8	0	0	0	0	112.9	T537 T542 N543 T860 V866 Y925 N993	T537-T539 PolarHBondContact O-N 3.12Å; T539-T542 WeakPolarHBondContact CA-OG1 3.25Å; T539-T542 PolarHBondContact O-N 2.86Å; T539-T542 PolarHBondContact O-OG1 3.35Å; T539-N543 WeakPolarHBondContact O-CB 3.42Å; T539-N543 VanDerWaalsContact O-CG 3.23Å; T539-N543 PolarHBondContact O-N 2.84Å; T539-T860 HydrophobicContact CG2-CG2 3.28Å; T539-V866 HydrophobicContact CG2-CG2 4.41Å; T539-Y925 WeakPolarHBondContact CB-OH 3.13Å; T539-Y925 HydrophobicContact CG2-CE2 3.69Å; T539-N993 HydrophobicContact CG2-CB 4.34Å
540	L	92.2	Very high	91.3	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.031	11%	0.112	C	C	.	.	H	α-helix	trans	-61.3	-47	174.1	174.2	55.9	0	0	0	110.4	T537 T542 N543 I544 V921 Y925 M1043	T537-L540 PolarHBondContact O-N 2.99Å; T537-L540 VanDerWaalsContact O-N 3.16Å; T537-L540 VanDerWaalsContact OG1-CB 3.22Å; T537-L540 WeakPolarHBondContact OG1-CB 3.41Å; L540-T542 PolarHBondContact O-N 3.48Å; L540-N543 PolarHBondContact O-N 3.26Å; L540-I544 HydrophobicContact CD1-CD1 4.04Å; L540-I544 HydrophobicContact CD1-CG1 4.35Å; L540-I544 HydrophobicContact CG-CD1 4.08Å; L540-I544 VanDerWaalsContact O-CG1 3.29Å; L540-I544 WeakPolarHBondContact O-CG1 3.4Å; L540-I544 PolarHBondContact O-N 3.47Å; L540-V921 HydrophobicContact CD1-CG1 3.79Å; L540-Y925 HydrophobicContact CB-CD1 4.03Å; L540-Y925 HydrophobicContact CB-CE1 3.95Å; L540-Y925 HydrophobicContact CB-CG 4.37Å; L540-Y925 HydrophobicContact CD1-CD1 4.26Å; L540-Y925 HydrophobicContact CD1-CG 4.18Å; L540-Y925 HydrophobicContact CD2-CD1 4.44Å; L540-Y925 HydrophobicContact CG-CD1 4.48Å; L540-M1043 HydrophobicContact CD2-CE 3.87Å
541	L	94.3	Very high	91.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.2	-40.8	178.7	-64	177.5	0	0	0	112.3	S516 L517 L529 L533 L534 T537 P538 I544 L545	S516-L541 VanDerWaalsContact OG-CD1 3.24Å; S516-L541 WeakPolarHBondContact OG-CD1 3.48Å; L517-L541 HydrophobicContact CD1-CB 4.26Å; L517-L541 HydrophobicContact CD1-CD1 4.15Å; L517-L541 HydrophobicContact CD2-CB 3.96Å; L517-L541 HydrophobicContact CD2-CD1 4.25Å; L517-L541 HydrophobicContact CG-CB 4.23Å; L517-L541 HydrophobicContact CG-CD1 3.79Å; L529-L541 HydrophobicContact CD1-CD2 3.77Å; L533-L541 HydrophobicContact CG-CD2 4.08Å; L534-L541 WeakPolarHBondContact O-CD1 3.36Å; T537-L541 WeakPolarHBondContact O-CG 3.26Å; T537-L541 PolarHBondContact O-N 2.79Å; P538-L541 PolarHBondContact O-N 3.36Å; L541-I544 PolarHBondContact O-N 2.92Å; L541-L545 WeakPolarHBondContact O-CB 3.4Å; L541-L545 VanDerWaalsContact O-CG 3.25Å; L541-L545 WeakPolarHBondContact O-CG 3.34Å; L541-L545 PolarHBondContact O-N 2.87Å
542	T	93.8	Very high	91.8	Very high	10 Å²	10	18.4 Å²	18.4	6%	0.061	10%	0.095	C	C	.	.	H	α-helix	trans	-68.9	-36	177.1	55.3	0	0	0	0	111.9	L517 M521 P538 T539 L540 L545 H546 P858	L517-T542 HydrophobicContact CD2-CG2 4.11Å; M521-T542 HydrophobicContact SD-CG2 4.31Å; P538-T542 WeakPolarHBondContact O-CG2 3.49Å; P538-T542 PolarHBondContact O-N 2.6Å; P538-T542 PolarHBondContact O-OG1 2.83Å; T539-T542 WeakPolarHBondContact CA-OG1 3.25Å; T539-T542 PolarHBondContact O-N 2.86Å; T539-T542 PolarHBondContact O-OG1 3.35Å; L540-T542 PolarHBondContact O-N 3.48Å; T542-L545 CarbonylContact O-C 3.51Å; T542-L545 PolarHBondContact O-N 3.38Å; T542-H546 WeakPolarHBondContact O-CB 3.35Å; T542-H546 PolarHBondContact O-N 2.88Å; T542-P858 CarbonylContact C-O 3.54Å; T542-P858 WeakPolarHBondContact CB-O 3.45Å; T542-P858 HydrophobicContact CG2-CG 3.86Å
543	N	94.1	Very high	92.1	Very high	12 Å²	12	22.8 Å²	22.8	6%	0.064	12%	0.116	C	C	.	.	H	α-helix	trans	-63.7	-40.2	173.2	-74.2	-10.6	0	0	0	112	T539 L540 R547 K859 T860 V921	T539-N543 WeakPolarHBondContact O-CB 3.42Å; T539-N543 VanDerWaalsContact O-CG 3.23Å; T539-N543 PolarHBondContact O-N 2.84Å; L540-N543 PolarHBondContact O-N 3.26Å; N543-R547 PolarHBondContact O-N 3.03Å; N543-K859 WeakPolarHBondContact OD1-CA 3.38Å; N543-T860 PolarHBondContact ND2-OG1 3.03Å; N543-T860 PolarHBondContact OD1-N 2.74Å; N543-T860 PolarHBondContact OD1-OG1 2.95Å; N543-V921 HydrophobicContact CB-CG1 3.51Å
544	I	95.4	Very high	92.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.9	-49.6	173	-64.1	161.6	0	0	0	110	L529 L533 L540 L541 H546 R547 Y548 F551 I918 V921	L529-I544 HydrophobicContact CD2-CG2 3.66Å; L533-I544 HydrophobicContact CD2-CD1 4.22Å; L540-I544 HydrophobicContact CD1-CD1 4.04Å; L540-I544 HydrophobicContact CD1-CG1 4.35Å; L540-I544 HydrophobicContact CG-CD1 4.08Å; L540-I544 VanDerWaalsContact O-CG1 3.29Å; L540-I544 WeakPolarHBondContact O-CG1 3.4Å; L540-I544 PolarHBondContact O-N 3.47Å; L541-I544 PolarHBondContact O-N 2.92Å; I544-H546 VanDerWaalsContact C-N 3.28Å; I544-H546 PolarHBondContact O-N 3.26Å; I544-R547 CarbonylContact O-C 3.58Å; I544-R547 PolarHBondContact O-N 3.03Å; I544-R547 VanDerWaalsContact O-N 3.08Å; I544-Y548 PolarHBondContact O-N 2.94Å; I544-F551 HydrophobicContact CG2-CE1 4.2Å; I544-F551 HydrophobicContact CG2-CZ 4.46Å; I544-I918 HydrophobicContact CD1-CB 4.48Å; I544-I918 HydrophobicContact CD1-CG1 4.19Å; I544-I918 HydrophobicContact CD1-CG2 4.02Å; I544-I918 HydrophobicContact CG1-CG1 4.44Å; I544-I918 HydrophobicContact CG2-CG1 3.83Å; I544-V921 HydrophobicContact CG1-CB 4.04Å; I544-V921 HydrophobicContact CG1-CG1 3.92Å; I544-V921 HydrophobicContact CG1-CG2 4.46Å
545	L	94.8	Very high	92.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.5	-30.1	-179.4	-72.9	168.2	0	0	0	112.5	L517 Y528 L529 L541 T542 R547 Y548 F857	L517-L545 HydrophobicContact CD1-CD1 3.79Å; Y528-L545 HydrophobicContact CD2-CD2 4.41Å; Y528-L545 HydrophobicContact CG-CD2 4.34Å; L529-L545 HydrophobicContact CD1-CD1 4.4Å; L529-L545 HydrophobicContact CD1-CD2 4.16Å; L529-L545 HydrophobicContact CD1-CG 4.06Å; L529-L545 HydrophobicContact CG-CD2 4.11Å; L541-L545 WeakPolarHBondContact O-CB 3.4Å; L541-L545 VanDerWaalsContact O-CG 3.25Å; L541-L545 WeakPolarHBondContact O-CG 3.34Å; L541-L545 PolarHBondContact O-N 2.87Å; T542-L545 CarbonylContact O-C 3.51Å; T542-L545 PolarHBondContact O-N 3.38Å; L545-R547 PolarHBondContact O-N 2.96Å; L545-Y548 VanDerWaalsContact O-CB 3.25Å; L545-Y548 WeakPolarHBondContact O-CB 3.4Å; L545-Y548 WeakPolarHBondContact O-CD1 3.26Å; L545-Y548 PolarHBondContact O-N 3.15Å; L545-F857 HydrophobicContact CB-CB 4.24Å; L545-F857 HydrophobicContact CB-CD1 3.73Å; L545-F857 HydrophobicContact CB-CD2 3.93Å; L545-F857 HydrophobicContact CB-CE1 3.95Å; L545-F857 HydrophobicContact CB-CE2 4.14Å; L545-F857 HydrophobicContact CB-CG 3.7Å; L545-F857 HydrophobicContact CB-CZ 4.12Å; L545-F857 HydrophobicContact CD1-CD1 4.1Å; L545-F857 HydrophobicContact CD1-CE1 3.88Å; L545-F857 HydrophobicContact CD1-CZ 4.49Å; L545-F857 HydrophobicContact CD2-CE1 4.45Å; L545-F857 HydrophobicContact CD2-CZ 4.24Å; L545-F857 HydrophobicContact CG-CD1 4.47Å; L545-F857 HydrophobicContact CG-CE1 4.32Å; L545-F857 WeakPolarHBondContact O-CD2 3.31Å
546	H	93.7	Very high	92.6	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.056	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-34.3	173.3	-175.6	84.5	0	0	0	111.6	T542 I544 Y548 F857 K859 N871	T542-H546 WeakPolarHBondContact O-CB 3.35Å; T542-H546 PolarHBondContact O-N 2.88Å; I544-H546 VanDerWaalsContact C-N 3.28Å; I544-H546 PolarHBondContact O-N 3.26Å; H546-Y548 VanDerWaalsContact C-N 3.33Å; H546-F857 HydrophobicContact CB-CB 4.32Å; H546-F857 PolarHBondContact ND1-O 2.84Å; H546-K859 HydrophobicContact CB-CB 4.16Å; H546-K859 VanDerWaalsContact CE1-CG 3.41Å; H546-K859 WeakPolarHBondContact CE1-CG 3.43Å; H546-K859 WeakPolarHBondContact NE2-CD 3.3Å; H546-K859 VanDerWaalsContact NE2-CE 3.33Å; H546-K859 WeakPolarHBondContact NE2-CE 3.25Å; H546-K859 WeakPolarHBondContact NE2-CG 3.41Å; H546-N871 PolarHBondContact CD2-ND2 2.9Å; H546-N871 PolarHBondContact CE1-ND2 2.83Å; H546-N871 PolarHBondContact CE1-OD1 3.23Å; H546-N871 VanDerWaalsContact ND1-CG 3.31Å; H546-N871 PolarHBondContact ND1-ND2 3.29Å; H546-N871 VanDerWaalsContact ND1-ND2 3.17Å; H546-N871 VanDerWaalsContact NE2-CG 3.27Å; H546-N871 PolarHBondContact NE2-ND2 2.82Å; H546-N871 PolarHBondContact NE2-OD1 2.93Å; H546-N871 VanDerWaalsContact NE2-OD1 3.15Å; H546-N871 PolarHBondContact O-ND2 3.33Å
547	R	94.7	Very high	92.9	Very high	62 Å²	62	30.2 Å²	30.2	23%	0.234	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	14	175.6	-65.9	-179.7	65.6	-169	-5.7	113.6	N543 I544 L545 P549 E550 V917 D920	N543-R547 PolarHBondContact O-N 3.03Å; I544-R547 CarbonylContact O-C 3.58Å; I544-R547 PolarHBondContact O-N 3.03Å; I544-R547 VanDerWaalsContact O-N 3.08Å; L545-R547 PolarHBondContact O-N 2.96Å; R547-P549 VanDerWaalsContact C-N 3.27Å; R547-P549 WeakPolarHBondContact O-CD 3.45Å; R547-P549 VanDerWaalsContact O-N 3.13Å; R547-E550 WeakPolarHBondContact CB-OE1 3.41Å; R547-E550 VanDerWaalsContact CG-OE1 3.26Å; R547-E550 WeakPolarHBondContact CG-OE1 3.42Å; R547-E550 IonicContact CZ-OE1 3.3Å; R547-E550 IonicContact CZ-OE2 3.45Å; R547-E550 IonicContact NE-OE1 3.69Å; R547-E550 PolarHBondContact NE-OE1 3.02Å; R547-E550 IonicContact NE-OE2 2.83Å; R547-E550 PolarHBondContact NE-OE2 2.83Å; R547-E550 IonicContact NH2-OE1 2.68Å; R547-E550 IonicContact NH2-OE2 3.72Å; R547-E550 PolarHBondContact NH2-OE2 3.45Å; R547-E550 WeakPolarHBondContact O-CB 3.46Å; R547-E550 PolarHBondContact O-N 2.92Å; R547-V917 HydrophobicContact CB-CG1 3.67Å; R547-D920 IonicContact NH1-OD2 3.64Å; R547-D920 IonicContact NH2-OD2 3.4Å; R547-D920 PolarHBondContact NH2-OD2 2.97Å
548	Y	93.5	Very high	93.3	Very high	11 Å²	11	29.6 Å²	29.6	4%	0.043	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-51.2	-34.1	177.1	88.5	-83.6	0	0	0	115.7	Y528 I544 L545 H546 E550 F551 I552 L855 F857	Y528-Y548 HydrophobicContact CD1-CD2 4.45Å; Y528-Y548 AromaticContact CE1-CD2 3.77Å; Y528-Y548 HydrophobicContact CE1-CD2 3.77Å; Y528-Y548 HydrophobicContact CE1-CG 4.43Å; I544-Y548 PolarHBondContact O-N 2.94Å; L545-Y548 VanDerWaalsContact O-CB 3.25Å; L545-Y548 WeakPolarHBondContact O-CB 3.4Å; L545-Y548 WeakPolarHBondContact O-CD1 3.26Å; L545-Y548 PolarHBondContact O-N 3.15Å; H546-Y548 VanDerWaalsContact C-N 3.33Å; Y548-E550 PolarHBondContact O-N 3.13Å; Y548-E550 VanDerWaalsContact O-N 3.13Å; Y548-F551 VanDerWaalsContact CA-CE1 3.42Å; Y548-F551 VanDerWaalsContact CA-CZ 3.49Å; Y548-F551 PolarHBondContact O-N 2.88Å; Y548-I552 HydrophobicContact CD2-CD1 4.03Å; Y548-I552 HydrophobicContact CD2-CG2 4.21Å; Y548-I552 HydrophobicContact CE2-CD1 3.85Å; Y548-I552 WeakPolarHBondContact O-CG2 3.41Å; Y548-I552 PolarHBondContact O-N 3.42Å; Y548-L855 HydrophobicContact CE1-CB 4.38Å; Y548-L855 HydrophobicContact CE2-CD1 4.49Å; Y548-F857 AromaticContact CD1-CD2 3.93Å; Y548-F857 HydrophobicContact CD1-CD2 3.93Å; Y548-F857 AromaticContact CD1-CE2 3.75Å; Y548-F857 HydrophobicContact CD1-CE2 3.75Å; Y548-F857 HydrophobicContact CE1-CD2 4.27Å; Y548-F857 HydrophobicContact CE1-CE2 4.08Å; Y548-F857 HydrophobicContact CG-CE2 4.4Å
549	P	92.6	Very high	93.7	Very high	41 Å²	41	27 Å²	27	27%	0.266	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-61	-23.9	179.3	-23.9	38	0	0	0	113.3	R547 F551	R547-P549 VanDerWaalsContact C-N 3.27Å; R547-P549 WeakPolarHBondContact O-CD 3.45Å; R547-P549 VanDerWaalsContact O-N 3.13Å; P549-F551 VanDerWaalsContact C-N 3.34Å
550	E	94.9	Very high	94	Very high	100 Å²	100	25.9 Å²	25.9	47%	0.467	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-77.1	-19.4	-178.2	-63.5	175.7	-128.1	0	0	113.4	R547 Y548 V917	R547-E550 WeakPolarHBondContact CB-OE1 3.41Å; R547-E550 VanDerWaalsContact CG-OE1 3.26Å; R547-E550 WeakPolarHBondContact CG-OE1 3.42Å; R547-E550 IonicContact CZ-OE1 3.3Å; R547-E550 IonicContact CZ-OE2 3.45Å; R547-E550 IonicContact NE-OE1 3.69Å; R547-E550 PolarHBondContact NE-OE1 3.02Å; R547-E550 IonicContact NE-OE2 2.83Å; R547-E550 PolarHBondContact NE-OE2 2.83Å; R547-E550 IonicContact NH2-OE1 2.68Å; R547-E550 IonicContact NH2-OE2 3.72Å; R547-E550 PolarHBondContact NH2-OE2 3.45Å; R547-E550 WeakPolarHBondContact O-CB 3.46Å; R547-E550 PolarHBondContact O-N 2.92Å; Y548-E550 PolarHBondContact O-N 3.13Å; Y548-E550 VanDerWaalsContact O-N 3.13Å; E550-V917 HydrophobicContact CB-CG2 3.92Å
551	F	94.3	Very high	94.4	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-120.3	15.3	-178.4	62	-106.1	0	0	0	114.4	Y528 L529 I544 Y548 P549 I909 S910 R914 V917	Y528-F551 AromaticContact CD1-CE2 3.98Å; Y528-F551 HydrophobicContact CD1-CE2 3.98Å; L529-F551 HydrophobicContact CD2-CZ 4.47Å; I544-F551 HydrophobicContact CG2-CE1 4.2Å; I544-F551 HydrophobicContact CG2-CZ 4.46Å; Y548-F551 VanDerWaalsContact CA-CE1 3.42Å; Y548-F551 VanDerWaalsContact CA-CZ 3.49Å; Y548-F551 PolarHBondContact O-N 2.88Å; P549-F551 VanDerWaalsContact C-N 3.34Å; F551-I909 HydrophobicContact CD2-CG2 4.31Å; F551-S910 PolarHBondContact O-N 2.96Å; F551-R914 VanDerWaalsContact CB-CA 3.47Å; F551-R914 HydrophobicContact CB-CB 3.81Å; F551-R914 VanDerWaalsContact CB-N 3.31Å; F551-R914 HydrophobicContact CD1-CB 4.47Å; F551-R914 HydrophobicContact CD1-CG 4.42Å; F551-R914 HydrophobicContact CD2-CB 3.95Å; F551-R914 HydrophobicContact CD2-CG 3.98Å; F551-R914 HydrophobicContact CE2-CG 4.16Å; F551-R914 HydrophobicContact CG-CB 3.86Å; F551-R914 HydrophobicContact CG-CG 4.11Å; F551-R914 HydrophobicContact CZ-CG 4.45Å; F551-V917 HydrophobicContact CD1-CB 3.98Å; F551-V917 HydrophobicContact CD1-CG1 3.96Å; F551-V917 HydrophobicContact CD1-CG2 4.09Å; F551-V917 HydrophobicContact CE1-CG1 4.07Å
552	I	92.2	Very high	94.6	Very high	23 Å²	23	25.7 Å²	25.7	12%	0.118	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	147.2	170.7	60.4	165.6	0	0	0	112.3	Y528 Y548 I554 Q907 V908	Y528-I552 HydrophobicContact CD1-CG2 4.2Å; Y528-I552 HydrophobicContact CE1-CG2 3.85Å; Y548-I552 HydrophobicContact CD2-CD1 4.03Å; Y548-I552 HydrophobicContact CD2-CG2 4.21Å; Y548-I552 HydrophobicContact CE2-CD1 3.85Å; Y548-I552 WeakPolarHBondContact O-CG2 3.41Å; Y548-I552 PolarHBondContact O-N 3.42Å; I552-I554 HydrophobicContact CD1-CD1 4.42Å; I552-I554 HydrophobicContact CD1-CG1 4.18Å; I552-Q907 HydrophobicContact CB-CB 4.41Å; I552-Q907 HydrophobicContact CD1-CB 4.44Å; I552-Q907 HydrophobicContact CD1-CG 3.99Å; I552-Q907 HydrophobicContact CG2-CB 4.3Å; I552-V908 CarbonylContact C-O 3.51Å; I552-V908 WeakPolarHBondContact CA-O 3.44Å
553	Q	91.7	Very high	94.8	Very high	97 Å²	97	25.2 Å²	25.2	45%	0.453	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.1	164.6	-65.6	177.6	-12.1	0	0	107.8	V908	Q553-V908 PolarHBondContact N-O 2.92Å; Q553-V908 PolarHBondContact O-N 3.38Å
554	I	92	Very high	94.9	Very high	54 Å²	54	25 Å²	25	28%	0.277	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.8	-178.6	-61.3	174.9	0	0	0	108.9	I552 E905 V906	I552-I554 HydrophobicContact CD1-CD1 4.42Å; I552-I554 HydrophobicContact CD1-CG1 4.18Å; I554-E905 HydrophobicContact CG2-CB 3.76Å; I554-E905 HydrophobicContact CG2-CG 3.75Å; I554-V906 WeakPolarHBondContact CA-O 3.35Å
555	H	92.5	Very high	95	Very high	27 Å²	27	25 Å²	25	13%	0.125	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	148.4	173.2	-61.1	-85.6	0	0	0	110.5	V906 F1067	H555-V906 PolarHBondContact N-O 3.33Å; H555-V906 PolarHBondContact O-N 3.4Å; H555-F1067 HydrophobicContact CB-CB 4.09Å; H555-F1067 HydrophobicContact CB-CD1 3.67Å; H555-F1067 HydrophobicContact CB-CD2 3.62Å; H555-F1067 HydrophobicContact CB-CE1 3.9Å; H555-F1067 HydrophobicContact CB-CE2 3.86Å; H555-F1067 HydrophobicContact CB-CG 3.51Å; H555-F1067 HydrophobicContact CB-CZ 3.99Å; H555-F1067 AromaticContact CD2-CD2 3.94Å; H555-F1067 AromaticContact CD2-CE2 3.71Å; H555-F1067 AromaticContact CG-CD2 3.42Å; H555-F1067 VanDerWaalsContact CG-CD2 3.42Å; H555-F1067 AromaticContact CG-CE2 3.63Å; H555-F1067 AromaticContact CG-CG 3.83Å; H555-F1067 AromaticContact ND1-CD2 3.61Å
556	N	92.3	Very high	95	Very high	85 Å²	85	25.3 Å²	25.3	46%	0.455	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	133.4	175.2	-71.5	-41.2	0	0	0	110.1	I904	N556-I904 WeakPolarHBondContact CA-O 3.44Å
557	L	95.2	Very high	94.7	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.8	171.8	-172.7	80.9	0	0	0	108.9	D617 V618 L686 L718 I723 I904 V906	L557-D617 HydrophobicContact CD1-CB 3.49Å; L557-D617 VanDerWaalsContact CD1-CB 3.49Å; L557-D617 HydrophobicContact CG-CB 4.1Å; L557-V618 HydrophobicContact CD1-CG2 4.37Å; L557-V618 HydrophobicContact CD2-CG2 4.01Å; L557-V618 HydrophobicContact CG-CG2 4.38Å; L557-L686 HydrophobicContact CD1-CD1 3.86Å; L557-L686 HydrophobicContact CD1-CD2 4.47Å; L557-L718 HydrophobicContact CD1-CD2 4.05Å; L557-L718 HydrophobicContact CD2-CD2 4.27Å; L557-I723 HydrophobicContact CD2-CD1 4.08Å; L557-I904 HydrophobicContact CB-CG1 3.92Å; L557-I904 HydrophobicContact CD2-CD1 4.12Å; L557-I904 HydrophobicContact CD2-CG1 4.34Å; L557-I904 PolarHBondContact N-O 3.26Å; L557-I904 PolarHBondContact O-N 3.17Å; L557-V906 HydrophobicContact CB-CG2 3.58Å; L557-V906 HydrophobicContact CD2-CG2 3.98Å; L557-V906 HydrophobicContact CG-CG2 4.3Å
558	R	95.4	Very high	93.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.5	178.2	-172.9	173.3	-88.1	-166.7	-5	110.4	E611 K614 M616 D617 V618 I901 F902 N903	R558-E611 VanDerWaalsContact CZ-O 3.24Å; R558-E611 IonicContact CZ-OE2 3.09Å; R558-E611 PolarHBondContact NH1-O 3.15Å; R558-E611 PolarHBondContact NH2-O 3.31Å; R558-E611 IonicContact NH2-OE2 2.88Å; R558-E611 PolarHBondContact NH2-OE2 3.39Å; R558-K614 PolarHBondContact NH1-O 3.12Å; R558-M616 HydrophobicContact CG-CE 4.16Å; R558-M616 HydrophobicContact CG-SD 3.61Å; R558-D617 PolarHBondContact N-OD2 3.47Å; R558-D617 WeakPolarHBondContact O-CA 3.4Å; R558-D617 VanDerWaalsContact O-CB 3.3Å; R558-D617 WeakPolarHBondContact O-CB 3.25Å; R558-D617 PolarHBondContact O-N 2.95Å; R558-V618 PolarHBondContact O-N 3.27Å; R558-I901 HydrophobicContact CG-CG2 4.12Å; R558-F902 CarbonylContact C-O 3.58Å; R558-F902 WeakPolarHBondContact CA-O 3.49Å; R558-N903 WeakPolarHBondContact CB-OD1 3.07Å; R558-N903 WeakPolarHBondContact CG-OD1 3.48Å; R558-N903 PolarHBondContact NE-OD1 3.01Å
559	L	97.2	Very high	92.4	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.3	-176.1	62.5	94.9	0	0	0	112	V561 V618 F725 F766 I901 F902 I904	L559-V561 HydrophobicContact CD1-CG2 3.62Å; L559-V618 CarbonylContact C-O 3.58Å; L559-V618 WeakPolarHBondContact CA-O 3.34Å; L559-V618 HydrophobicContact CB-CB 4.04Å; L559-F725 HydrophobicContact CD1-CE1 4.46Å; L559-F766 HydrophobicContact CD1-CD1 4.15Å; L559-F766 HydrophobicContact CD1-CE1 3.72Å; L559-F766 HydrophobicContact CD1-CE2 4.14Å; L559-F766 HydrophobicContact CD1-CZ 3.72Å; L559-F766 HydrophobicContact CD2-CE1 4.42Å; L559-F766 HydrophobicContact CD2-CE2 3.72Å; L559-F766 HydrophobicContact CD2-CZ 3.6Å; L559-F766 HydrophobicContact CG-CZ 4.27Å; L559-I901 WeakPolarHBondContact O-CA 3.33Å; L559-F902 HydrophobicContact CD1-CB 3.83Å; L559-F902 HydrophobicContact CD1-CD2 3.39Å; L559-F902 HydrophobicContact CD1-CE2 4.27Å; L559-F902 HydrophobicContact CD1-CG 3.95Å; L559-F902 HydrophobicContact CG-CB 3.93Å; L559-F902 HydrophobicContact CG-CD2 4.38Å; L559-F902 PolarHBondContact N-O 2.94Å; L559-F902 PolarHBondContact O-N 3.38Å; L559-I904 HydrophobicContact CD2-CB 4.43Å; L559-I904 HydrophobicContact CD2-CD1 3.54Å; L559-I904 HydrophobicContact CD2-CG1 3.75Å; L559-I904 HydrophobicContact CD2-CG2 3.86Å
560	F	98.3	Very high	90.9	Very high	1 Å²	1	30 Å²	30	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.6	168.4	176.6	-83.4	0	0	0	109.2	W585 L586 L589 M616 V618 F619 A620 A900 I901	F560-W585 WeakPolarHBondContact CE2-O 3.21Å; F560-W585 HydrophobicContact CZ-CZ2 4.49Å; F560-W585 AromaticContact CZ-NE1 3.75Å; F560-L586 HydrophobicContact CE1-CD2 3.81Å; F560-L586 HydrophobicContact CZ-CD2 4.03Å; F560-L589 HydrophobicContact CE2-CD2 4.08Å; F560-M616 HydrophobicContact CB-CG 4.25Å; F560-M616 HydrophobicContact CB-SD 4.38Å; F560-V618 PolarHBondContact N-O 3.07Å; F560-F619 HydrophobicContact CB-CD1 3.48Å; F560-F619 VanDerWaalsContact CB-CD1 3.48Å; F560-F619 HydrophobicContact CB-CE1 3.54Å; F560-F619 HydrophobicContact CB-CG 4.18Å; F560-F619 HydrophobicContact CB-CZ 4.31Å; F560-F619 AromaticContact CD1-CD1 3.38Å; F560-F619 HydrophobicContact CD1-CD1 3.38Å; F560-F619 AromaticContact CD1-CE1 3.79Å; F560-F619 HydrophobicContact CD1-CE1 3.79Å; F560-F619 HydrophobicContact CD1-CG 4.46Å; F560-F619 HydrophobicContact CD2-CE1 4.11Å; F560-F619 HydrophobicContact CE1-CD1 4.19Å; F560-F619 HydrophobicContact CE1-CE1 4.48Å; F560-F619 AromaticContact CG-CD1 3.56Å; F560-F619 HydrophobicContact CG-CD1 3.56Å; F560-F619 AromaticContact CG-CE1 3.55Å; F560-F619 HydrophobicContact CG-CE1 3.55Å; F560-F619 WeakPolarHBondContact O-CA 3.22Å; F560-A620 PolarHBondContact O-N 3.16Å; F560-A900 WeakPolarHBondContact CA-O 3.42Å; F560-I901 HydrophobicContact CD2-CG1 4.04Å
561	V	98.8	Very high	89.2	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.8	167.3	-174.4	0	0	0	0	107.6	L559 A620 F725 F766 C768 I848 G899 A900 F902	L559-V561 HydrophobicContact CD1-CG2 3.62Å; V561-A620 CarbonylContact C-O 3.46Å; V561-A620 WeakPolarHBondContact CA-O 2.9Å; V561-F725 HydrophobicContact CG2-CD1 4.21Å; V561-F725 HydrophobicContact CG2-CE1 3.84Å; V561-F766 HydrophobicContact CG2-CB 4.06Å; V561-F766 HydrophobicContact CG2-CD1 3.86Å; V561-F766 HydrophobicContact CG2-CG 4.02Å; V561-C768 HydrophobicContact CG1-CB 3.91Å; V561-I848 HydrophobicContact CB-CD1 4.39Å; V561-I848 HydrophobicContact CB-CG2 4.09Å; V561-I848 HydrophobicContact CG1-CD1 4.29Å; V561-I848 HydrophobicContact CG1-CG2 3.86Å; V561-I848 WeakPolarHBondContact O-CD1 3.5Å; V561-G899 CarbonylContact O-C 3.56Å; V561-G899 WeakPolarHBondContact O-CA 3.44Å; V561-A900 PolarHBondContact N-O 3.29Å; V561-A900 PolarHBondContact O-N 2.83Å; V561-F902 HydrophobicContact CB-CE2 4.26Å; V561-F902 HydrophobicContact CG2-CD2 4.31Å; V561-F902 HydrophobicContact CG2-CE2 3.99Å
562	G	98.7	Very high	87.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.8	176.6	0	0	0	0	0	111.9	A620 G622 V898	G562-A620 PolarHBondContact N-O 3.01Å; G562-G622 PolarHBondContact O-N 3.46Å; G562-V898 CarbonylContact C-O 3.59Å; G562-V898 VanDerWaalsContact CA-O 3.24Å; G562-V898 WeakPolarHBondContact CA-O 3.24Å
563	T	98.6	Very high	85.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	142.4	169.9	-166.5	0	0	0	0	111.4	G622 E624 C768 G769 D846 I848 P897 V898	T563-G622 CarbonylContact C-O 3.55Å; T563-G622 VanDerWaalsContact CA-O 3.24Å; T563-G622 WeakPolarHBondContact CA-O 3.3Å; T563-E624 PolarHBondContact OG1-OE1 2.76Å; T563-E624 PolarHBondContact OG1-OE2 3.08Å; T563-C768 HydrophobicContact CG2-CB 4.3Å; T563-G769 WeakPolarHBondContact OG1-CA 3.4Å; T563-G769 PolarHBondContact OG1-N 2.95Å; T563-D846 HydrophobicContact CG2-CB 4.07Å; T563-I848 HydrophobicContact CG2-CG1 4.2Å; T563-P897 WeakPolarHBondContact O-CA 3.25Å; T563-V898 HydrophobicContact CG2-CB 4Å; T563-V898 PolarHBondContact N-O 3.24Å; T563-V898 PolarHBondContact O-N 2.7Å
564	W	97.3	Very high	83.8	Confident	8 Å²	8	35.8 Å²	35.8	3%	0.03	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	117.1	176.6	-172	22.1	0	0	0	111.8	V566 W585 G622 F623 E624 W647 L890 T892 H895 P897	W564-V566 HydrophobicContact CB-CG1 4.41Å; W564-V566 HydrophobicContact CD2-CG1 3.64Å; W564-V566 HydrophobicContact CE3-CG1 3.61Å; W564-V566 HydrophobicContact CG-CG1 4Å; W564-V566 HydrophobicContact CZ3-CG1 4.13Å; W564-V566 PolarHBondContact O-N 3.07Å; W564-W585 HydrophobicContact CB-CH2 3.99Å; W564-W585 HydrophobicContact CB-CZ2 4.43Å; W564-W585 HydrophobicContact CB-CZ3 4.48Å; W564-W585 HydrophobicContact CE3-CZ3 4.17Å; W564-G622 PolarHBondContact N-O 3.31Å; W564-F623 HydrophobicContact CB-CD1 3.85Å; W564-F623 HydrophobicContact CB-CE1 3.92Å; W564-F623 AromaticContact CE3-CE1 3.91Å; W564-F623 HydrophobicContact CE3-CE1 3.91Å; W564-F623 HydrophobicContact CE3-CZ 4.34Å; W564-F623 VanDerWaalsContact O-CA 3.27Å; W564-F623 WeakPolarHBondContact O-CA 3.45Å; W564-F623 WeakPolarHBondContact O-CD1 3.43Å; W564-E624 PolarHBondContact O-N 2.81Å; W564-E624 VanDerWaalsContact O-N 3.16Å; W564-W647 HydrophobicContact CH2-CH2 4.5Å; W564-W647 AromaticContact CZ3-CH2 3.85Å; W564-W647 HydrophobicContact CZ3-CH2 3.85Å; W564-W647 HydrophobicContact CZ3-CZ3 4.39Å; W564-L890 HydrophobicContact CH2-CB 4.39Å; W564-L890 HydrophobicContact CH2-CD1 4.03Å; W564-L890 HydrophobicContact CZ2-CB 4.15Å; W564-L890 HydrophobicContact CZ2-CD1 4.43Å; W564-L890 HydrophobicContact CZ3-CD1 4.15Å; W564-T892 WeakPolarHBondContact CH2-OG1 3.31Å; W564-T892 WeakPolarHBondContact CZ2-OG1 3.01Å; W564-H895 PolarHBondContact NE1-O 2.84Å; W564-P897 HydrophobicContact CB-CB 3.83Å; W564-P897 HydrophobicContact CD2-CB 4.04Å; W564-P897 HydrophobicContact CG-CB 3.65Å; W564-P897 HydrophobicContact CG-CG 4.48Å
565	N	96.6	Very high	81.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	114	163.3	-172.7	-26.8	0	0	0	109.8	N567 E624 E625 D770 S893 H895	N565-N567 PolarHBondContact OD1-N 3Å; N565-N567 VanDerWaalsContact OD1-N 3.1Å; N565-E624 CarbonylContact C-O 3.59Å; N565-E624 WeakPolarHBondContact CA-O 3.44Å; N565-E624 HydrophobicContact CB-CB 3.94Å; N565-E624 PolarHBondContact N-OE2 2.89Å; N565-E624 PolarHBondContact OD1-O 3.47Å; N565-E625 WeakPolarHBondContact OD1-CB 2.95Å; N565-E625 WeakPolarHBondContact OD1-CG 3.43Å; N565-D770 PolarHBondContact ND2-OD2 3.01Å; N565-S893 WeakPolarHBondContact O-CB 3.14Å; N565-S893 PolarHBondContact O-OG 2.69Å; N565-H895 HydrophobicContact CB-CB 3.99Å; N565-H895 PolarHBondContact ND2-NE2 3.13Å
566	V	93.6	Very high	79.9	Confident	6 Å²	6	42 Å²	42	4%	0.036	22%	0.22	C	C	.	.			trans	-96.5	6.2	-173.7	-60	0	0	0	0	113.7	W564 G568 G569 F623 E624 I626 W647	W564-V566 HydrophobicContact CB-CG1 4.41Å; W564-V566 HydrophobicContact CD2-CG1 3.64Å; W564-V566 HydrophobicContact CE3-CG1 3.61Å; W564-V566 HydrophobicContact CG-CG1 4Å; W564-V566 HydrophobicContact CZ3-CG1 4.13Å; W564-V566 PolarHBondContact O-N 3.07Å; V566-G568 PolarHBondContact O-N 3.42Å; V566-G569 WeakPolarHBondContact O-CA 3.44Å; V566-G569 PolarHBondContact O-N 2.94Å; V566-F623 HydrophobicContact CG1-CD1 3.99Å; V566-F623 HydrophobicContact CG1-CD2 4.46Å; V566-F623 HydrophobicContact CG1-CE1 4.25Å; V566-F623 HydrophobicContact CG1-CG 4.12Å; V566-E624 WeakPolarHBondContact CG2-O 3.16Å; V566-E624 PolarHBondContact N-O 2.93Å; V566-I626 HydrophobicContact CG2-CB 4.29Å; V566-I626 HydrophobicContact CG2-CG1 4.42Å; V566-W647 HydrophobicContact CG1-CZ2 4.24Å
567	N	88.3	Confident	78.1	Confident	63 Å²	63	40.1 Å²	40.1	34%	0.337	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	57.1	171.2	-172.1	17.1	0	0	0	114.6	N565 G569 D894	N565-N567 PolarHBondContact OD1-N 3Å; N565-N567 VanDerWaalsContact OD1-N 3.1Å; N567-G569 PolarHBondContact O-N 2.92Å; N567-G569 VanDerWaalsContact O-N 3.16Å; N567-D894 WeakPolarHBondContact CB-OD1 3.46Å; N567-D894 PolarHBondContact ND2-OD1 3.47Å; N567-D894 VanDerWaalsContact ND2-OD1 3.13Å
568	G	74.8	Confident	76.1	Confident	9 Å²	9	47.2 Å²	47.2	9%	0.093	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	-2.7	-179.1	0	0	0	0	0	115.2	V566 K570 E625 D628	V566-G568 PolarHBondContact O-N 3.42Å; G568-K570 PolarHBondContact O-N 3.37Å; G568-E625 WeakPolarHBondContact CA-O 3.46Å; G568-E625 PolarHBondContact N-O 2.85Å; G568-D628 VanDerWaalsContact CA-OD1 3.29Å; G568-D628 WeakPolarHBondContact CA-OD1 3.39Å
569	G	65	Low	74.2	Confident	6 Å²	6	54.3 Å²	54.3	6%	0.062	27%	0.272	C	S	.	.			trans	-58.1	126.3	-158.2	0	0	0	0	0	117.1	V566 N567 W647	V566-G569 WeakPolarHBondContact O-CA 3.44Å; V566-G569 PolarHBondContact O-N 2.94Å; N567-G569 PolarHBondContact O-N 2.92Å; N567-G569 VanDerWaalsContact O-N 3.16Å; G569-W647 PolarHBondContact O-NE1 2.97Å
570	K	60.5	Low	72.5	Confident	147 Å²	147	56.7 Å²	56.7	64%	0.639	28%	0.283	S	S	*	.			trans	-96.9	4.5	151.2	-67.8	-175.5	179.1	-179.2	0	112.6	G568 F572	G568-K570 PolarHBondContact O-N 3.37Å; K570-F572 VanDerWaalsContact C-N 3.25Å; K570-F572 VanDerWaalsContact O-CD2 3.24Å; K570-F572 WeakPolarHBondContact O-CD2 3.49Å; K570-F572 PolarHBondContact O-N 3.05Å
571	H	59.5	Low	71.5	Confident	116 Å²	116	58.8 Å²	58.8	54%	0.537	30%	0.297	S	S	.	.			trans	-79.4	71.9	-174.2	-60.6	-65.3	0	0	0	111	R573	H571-R573 PolarHBondContact O-N 3.34Å
572	F	63.2	Low	71	Confident	61 Å²	61	59.3 Å²	59.3	27%	0.268	30%	0.3	S	S	.	.	S	Bend	trans	-60.6	-21.6	167.8	-54.7	-71.5	0	0	0	111.9	K570 D646 W647 F650	K570-F572 VanDerWaalsContact C-N 3.25Å; K570-F572 VanDerWaalsContact O-CD2 3.24Å; K570-F572 WeakPolarHBondContact O-CD2 3.49Å; K570-F572 PolarHBondContact O-N 3.05Å; F572-D646 HydrophobicContact CE1-CB 4.19Å; F572-D646 HydrophobicContact CE2-CB 4.08Å; F572-D646 HydrophobicContact CZ-CB 3.42Å; F572-D646 VanDerWaalsContact CZ-CB 3.42Å; F572-W647 HydrophobicContact CD1-CD2 4.15Å; F572-W647 HydrophobicContact CD1-CE3 4.14Å; F572-W647 HydrophobicContact CD1-CH2 4.31Å; F572-W647 HydrophobicContact CD1-CZ2 4.3Å; F572-W647 HydrophobicContact CD1-CZ3 4.23Å; F572-W647 AromaticContact CE1-CD2 3.62Å; F572-W647 HydrophobicContact CE1-CD2 3.62Å; F572-W647 AromaticContact CE1-CE2 3.76Å; F572-W647 HydrophobicContact CE1-CE3 4.02Å; F572-W647 AromaticContact CE1-CG 3.85Å; F572-W647 HydrophobicContact CE1-CG 3.85Å; F572-W647 HydrophobicContact CE1-CZ2 4.29Å; F572-W647 AromaticContact CE1-NE1 3.99Å; F572-F650 HydrophobicContact CB-CD2 4.06Å; F572-F650 HydrophobicContact CB-CE2 3.93Å; F572-F650 HydrophobicContact CD1-CB 4.1Å; F572-F650 HydrophobicContact CD1-CD1 4.31Å; F572-F650 AromaticContact CD1-CD2 3.95Å; F572-F650 HydrophobicContact CD1-CD2 3.95Å; F572-F650 HydrophobicContact CD1-CE2 4.45Å; F572-F650 AromaticContact CD1-CG 3.87Å; F572-F650 HydrophobicContact CD1-CG 3.87Å; F572-F650 HydrophobicContact CE1-CB 4.31Å; F572-F650 HydrophobicContact CG-CD2 4.29Å
573	R	52.7	Low	70.7	Confident	149 Å²	149	59.6 Å²	59.6	56%	0.562	30%	0.302	S	S	*	.			trans	-141.4	132.5	-178.3	-62.8	-178.5	176.2	-164.3	-9.7	109.5	H571 D1086	H571-R573 PolarHBondContact O-N 3.34Å; R573-D1086 IonicContact CZ-OD1 3.67Å; R573-D1086 IonicContact CZ-OD2 3.21Å; R573-D1086 IonicContact NE-OD2 3.53Å; R573-D1086 PolarHBondContact NH1-O 3.29Å; R573-D1086 IonicContact NH1-OD1 2.66Å; R573-D1086 IonicContact NH1-OD2 2.81Å; R573-D1086 IonicContact NH2-OD1 2.72Å; R573-D1086 PolarHBondContact NH2-OD1 2.87Å; R573-D1086 IonicContact NH2-OD2 3.17Å; R573-D1086 PolarHBondContact NH2-OD2 2.87Å; R573-D1086 VanDerWaalsContact NH2-OD2 3.13Å
574	S	48.7	Very low	70.3	Confident	17 Å²	17	62.4 Å²	62.4	12%	0.119	32%	0.317	C	S	.	.			trans	-92.3	123.9	157.1	178	0	0	0	0	107.9	A576 H577 K578	S574-A576 PolarHBondContact O-N 3.49Å; S574-A576 PolarHBondContact OG-N 3.33Å; S574-H577 CarbonylContact O-C 3.59Å; S574-H577 PolarHBondContact O-N 2.81Å; S574-H577 PolarHBondContact OG-N 3.11Å; S574-H577 VanDerWaalsContact OG-N 3.16Å; S574-H577 PolarHBondContact OG-ND1 2.92Å; S574-K578 PolarHBondContact O-N 3.14Å
575	V	51.2	Low	70.2	Confident	132 Å²	132	62 Å²	62	80%	0.8	32%	0.315	S	S	*	.	S	Bend	trans	-58.9	-30.8	170.2	-179.9	0	0	0	0	110.5
576	A	51.3	Low	70.1	Confident	79 Å²	79	62.2 Å²	62.2	65%	0.653	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-25.6	179.7	0	0	0	0	0	113.7	S574	S574-A576 PolarHBondContact O-N 3.49Å; S574-A576 PolarHBondContact OG-N 3.33Å
577	H	54.4	Low	70	Confident	45 Å²	45	64.3 Å²	64.3	21%	0.208	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	44.2	-175.2	-60.3	68.6	0	0	0	112.1	S574 H579 E580 F829	S574-H577 CarbonylContact O-C 3.59Å; S574-H577 PolarHBondContact O-N 2.81Å; S574-H577 PolarHBondContact OG-N 3.11Å; S574-H577 VanDerWaalsContact OG-N 3.16Å; S574-H577 PolarHBondContact OG-ND1 2.92Å; H577-H579 PolarHBondContact O-N 2.98Å; H577-E580 HydrophobicContact CB-CB 4.39Å; H577-E580 HydrophobicContact CB-CG 4.29Å; H577-E580 IonicContact CD2-OE1 2.81Å; H577-E580 PolarHBondContact CD2-OE1 3.12Å; H577-E580 PolarHBondContact O-N 2.95Å; H577-F829 PolarHBondContact NE2-O 3.32Å
578	K	53.8	Low	70.2	Confident	150 Å²	150	62.3 Å²	62.3	65%	0.652	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-17.1	177.5	-69	-172.9	179.8	-172.3	0	114.4	S574	S574-K578 PolarHBondContact O-N 3.14Å
579	H	55	Low	71	Confident	149 Å²	149	62 Å²	62	69%	0.69	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-19.3	179.8	-62.2	-41.6	0	0	0	114.4	H577	H577-H579 PolarHBondContact O-N 2.98Å
580	E	61.7	Low	72.2	Confident	52 Å²	52	62.6 Å²	62.6	24%	0.243	32%	0.317	C	S	.	.			trans	-85.9	112.3	178.6	-68.4	179.4	-172.4	0	0	109	H577 L890 K891	H577-E580 HydrophobicContact CB-CB 4.39Å; H577-E580 HydrophobicContact CB-CG 4.29Å; H577-E580 IonicContact CD2-OE1 2.81Å; H577-E580 PolarHBondContact CD2-OE1 3.12Å; H577-E580 PolarHBondContact O-N 2.95Å; E580-L890 HydrophobicContact CB-CD2 4.26Å; E580-K891 VanDerWaalsContact OE1-CD 3.25Å; E580-K891 WeakPolarHBondContact OE1-CD 3.26Å; E580-K891 WeakPolarHBondContact OE1-CE 3.24Å; E580-K891 WeakPolarHBondContact OE1-CG 3.47Å; E580-K891 IonicContact OE1-NZ 2.66Å; E580-K891 PolarHBondContact OE2-N 3.33Å
581	C	78.3	Confident	73.6	Confident	44 Å²	44	62.2 Å²	62.2	30%	0.297	32%	0.317	S	S	.	.			trans	-106.5	137.5	-175.8	-167.1	0	0	0	0	110.3	T583 D584	C581-T583 PolarHBondContact O-N 3.46Å; C581-T583 PolarHBondContact SG-OG1 3.39Å; C581-D584 PolarHBondContact N-OD2 2.94Å; C581-D584 VanDerWaalsContact O-CB 3.27Å; C581-D584 WeakPolarHBondContact O-CB 3.1Å; C581-D584 PolarHBondContact O-N 3.19Å
582	V	88.5	Confident	75	Confident	12 Å²	12	59.1 Å²	59.1	7%	0.073	31%	0.306	C	S	.	.	H	α-helix	trans	-55.2	-23.4	172.2	74.3	0	0	0	0	112.2	D584 W585 L586 F650 H654 L890	V582-D584 VanDerWaalsContact C-N 3.25Å; V582-D584 PolarHBondContact O-N 3.48Å; V582-W585 HydrophobicContact CG2-CE3 4.07Å; V582-W585 WeakPolarHBondContact O-CB 3.49Å; V582-W585 PolarHBondContact O-N 3.17Å; V582-L586 HydrophobicContact CG1-CD1 4.35Å; V582-L586 HydrophobicContact CG2-CD1 3.83Å; V582-L586 HydrophobicContact CG2-CG 4.23Å; V582-L586 WeakPolarHBondContact O-CG 3.47Å; V582-L586 PolarHBondContact O-N 3.22Å; V582-F650 HydrophobicContact CB-CE1 3.95Å; V582-F650 HydrophobicContact CB-CZ 4.17Å; V582-F650 HydrophobicContact CG1-CE1 3.59Å; V582-F650 HydrophobicContact CG1-CZ 3.75Å; V582-F650 HydrophobicContact CG2-CE1 4.1Å; V582-H654 HydrophobicContact CG1-CB 3.88Å; V582-L890 HydrophobicContact CG2-CD1 4.4Å
583	T	90.7	Very high	76.2	Confident	7 Å²	7	57.3 Å²	57.3	4%	0.043	30%	0.3	C	S	.	.	H	α-helix	trans	-68.1	-23.6	175.7	61.1	0	0	0	0	113.1	C581 W585 L586 L587 D588 H654 R657	C581-T583 PolarHBondContact O-N 3.46Å; C581-T583 PolarHBondContact SG-OG1 3.39Å; T583-W585 PolarHBondContact O-N 3.36Å; T583-L586 PolarHBondContact O-N 2.94Å; T583-L587 HydrophobicContact CG2-CD1 4.12Å; T583-L587 WeakPolarHBondContact O-CA 3.4Å; T583-L587 PolarHBondContact O-N 3.2Å; T583-D588 PolarHBondContact O-N 3.1Å; T583-H654 HydrophobicContact CG2-CB 4.05Å; T583-R657 PolarHBondContact OG1-NH1 3.27Å
584	D	90.9	Very high	77.9	Confident	58 Å²	58	53.4 Å²	53.4	31%	0.31	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-30.5	173.5	-60.5	-25.7	0	0	0	111	C581 V582 D588 L589	C581-D584 PolarHBondContact N-OD2 2.94Å; C581-D584 VanDerWaalsContact O-CB 3.27Å; C581-D584 WeakPolarHBondContact O-CB 3.1Å; C581-D584 PolarHBondContact O-N 3.19Å; V582-D584 VanDerWaalsContact C-N 3.25Å; V582-D584 PolarHBondContact O-N 3.48Å; D584-D588 CarbonylContact O-C 3.58Å; D584-L589 VanDerWaalsContact O-CA 3.23Å; D584-L589 WeakPolarHBondContact O-CA 3.2Å; D584-L589 PolarHBondContact O-N 3.22Å; D584-L589 VanDerWaalsContact O-N 3.07Å
585	W	94.7	Very high	79.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-86.5	-42.7	173.6	174.5	44.4	0	0	0	113.4	F560 W564 V582 T583 L589 I621 F623 A888 L890 P897 V898	F560-W585 WeakPolarHBondContact CE2-O 3.21Å; F560-W585 HydrophobicContact CZ-CZ2 4.49Å; F560-W585 AromaticContact CZ-NE1 3.75Å; W564-W585 HydrophobicContact CB-CH2 3.99Å; W564-W585 HydrophobicContact CB-CZ2 4.43Å; W564-W585 HydrophobicContact CB-CZ3 4.48Å; W564-W585 HydrophobicContact CE3-CZ3 4.17Å; V582-W585 HydrophobicContact CG2-CE3 4.07Å; V582-W585 WeakPolarHBondContact O-CB 3.49Å; V582-W585 PolarHBondContact O-N 3.17Å; T583-W585 PolarHBondContact O-N 3.36Å; W585-L589 WeakPolarHBondContact O-CB 3.3Å; W585-I621 HydrophobicContact CH2-CG2 3.78Å; W585-I621 HydrophobicContact CZ3-CG2 4.25Å; W585-F623 AromaticContact CH2-CE1 3.79Å; W585-F623 HydrophobicContact CH2-CE1 3.79Å; W585-F623 AromaticContact CZ3-CE1 3.85Å; W585-F623 HydrophobicContact CZ3-CE1 3.85Å; W585-F623 HydrophobicContact CZ3-CZ 4.35Å; W585-A888 HydrophobicContact CB-CB 3.55Å; W585-A888 HydrophobicContact CG-CB 4.02Å; W585-L890 HydrophobicContact CB-CD1 4.26Å; W585-P897 HydrophobicContact CD2-CB 3.72Å; W585-P897 HydrophobicContact CD2-CG 4.29Å; W585-P897 HydrophobicContact CE3-CB 4.19Å; W585-P897 HydrophobicContact CG-CB 4.01Å; W585-P897 HydrophobicContact CG-CG 4.15Å; W585-P897 HydrophobicContact CH2-CB 4.42Å; W585-P897 HydrophobicContact CZ2-CB 3.98Å; W585-V898 VanDerWaalsContact NE1-C 3.3Å; W585-V898 PolarHBondContact NE1-O 3.07Å
586	L	94.3	Very high	80.8	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-85.8	-38.8	-170.4	-64.2	175.7	0	0	0	113.7	F560 V582 T583 F619 I621 L651 L655	F560-L586 HydrophobicContact CE1-CD2 3.81Å; F560-L586 HydrophobicContact CZ-CD2 4.03Å; V582-L586 HydrophobicContact CG1-CD1 4.35Å; V582-L586 HydrophobicContact CG2-CD1 3.83Å; V582-L586 HydrophobicContact CG2-CG 4.23Å; V582-L586 WeakPolarHBondContact O-CG 3.47Å; V582-L586 PolarHBondContact O-N 3.22Å; T583-L586 PolarHBondContact O-N 2.94Å; L586-F619 WeakPolarHBondContact O-CE1 3.25Å; L586-I621 HydrophobicContact CD1-CD1 4.43Å; L586-I621 HydrophobicContact CD2-CD1 3.66Å; L586-I621 HydrophobicContact CD2-CG1 4.29Å; L586-L651 HydrophobicContact CD1-CD2 3.73Å; L586-L655 HydrophobicContact CB-CD2 4.05Å; L586-L655 HydrophobicContact CD1-CD2 4.02Å; L586-L655 HydrophobicContact CG-CD2 4.47Å
587	L	92.3	Very high	82.2	Confident	49 Å²	49	59.3 Å²	59.3	26%	0.257	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-37.3	-170.5	-58.9	-176.4	0	0	0	112.4	T583 F619 H654 L655 R657	T583-L587 HydrophobicContact CG2-CD1 4.12Å; T583-L587 WeakPolarHBondContact O-CA 3.4Å; T583-L587 PolarHBondContact O-N 3.2Å; L587-F619 HydrophobicContact CD2-CZ 3.89Å; L587-H654 WeakPolarHBondContact CD1-O 3.01Å; L587-L655 HydrophobicContact CD2-CD2 4.27Å; L587-R657 HydrophobicContact CD1-CB 3.93Å
588	D	92.1	Very high	83.6	Confident	22 Å²	22	60.3 Å²	60.3	12%	0.118	31%	0.31	C	S	.	.	S	Bend	trans	-106.2	11.8	-172	-47.8	-59	0	0	0	113.3	T583 D584 A590 Q591 R657	T583-D588 PolarHBondContact O-N 3.1Å; D584-D588 CarbonylContact O-C 3.58Å; D588-A590 PolarHBondContact O-N 2.79Å; D588-Q591 HydrophobicContact CB-CG 4.42Å; D588-Q591 WeakPolarHBondContact O-CA 3.23Å; D588-Q591 VanDerWaalsContact O-CB 3.28Å; D588-Q591 WeakPolarHBondContact O-CB 3.37Å; D588-Q591 PolarHBondContact O-N 2.94Å; D588-Q591 PolarHBondContact OD1-NE2 3.45Å; D588-R657 IonicContact OD1-CZ 2.77Å; D588-R657 IonicContact OD1-NH1 3.87Å; D588-R657 IonicContact OD1-NH2 2.82Å; D588-R657 PolarHBondContact OD1-NH2 3.45Å; D588-R657 IonicContact OD2-CZ 3.21Å; D588-R657 IonicContact OD2-NH1 3.39Å; D588-R657 PolarHBondContact OD2-NH1 3.26Å; D588-R657 IonicContact OD2-NH2 2.71Å; D588-R657 PolarHBondContact OD2-NH2 3.5Å
589	L	92.6	Very high	85.4	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.016	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-54.1	-33.6	-175.4	-171	60.9	0	0	0	113	F560 D584 W585 Q591 T592 L884 N886 A888	F560-L589 HydrophobicContact CE2-CD2 4.08Å; D584-L589 VanDerWaalsContact O-CA 3.23Å; D584-L589 WeakPolarHBondContact O-CA 3.2Å; D584-L589 PolarHBondContact O-N 3.22Å; D584-L589 VanDerWaalsContact O-N 3.07Å; W585-L589 WeakPolarHBondContact O-CB 3.3Å; L589-Q591 VanDerWaalsContact C-N 3.26Å; L589-Q591 PolarHBondContact O-N 3.29Å; L589-T592 PolarHBondContact O-N 3.47Å; L589-T592 VanDerWaalsContact O-N 3.16Å; L589-T592 PolarHBondContact O-OG1 2.99Å; L589-L884 HydrophobicContact CB-CD2 4.48Å; L589-L884 HydrophobicContact CD2-CD2 3.42Å; L589-L884 VanDerWaalsContact CD2-CD2 3.42Å; L589-L884 HydrophobicContact CG-CD2 3.77Å; L589-N886 HydrophobicContact CD1-CB 4.15Å; L589-N886 HydrophobicContact CG-CB 4.27Å; L589-A888 HydrophobicContact CD1-CB 4.09Å
590	A	90.4	Very high	87.2	Confident	17 Å²	17	48.7 Å²	48.7	14%	0.14	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-67	-25	177.1	0	0	0	0	0	114.3	D588 T592 F606 L612 L884	D588-A590 PolarHBondContact O-N 2.79Å; A590-T592 VanDerWaalsContact C-N 3.3Å; A590-F606 HydrophobicContact CB-CE1 4.21Å; A590-L612 HydrophobicContact CB-CD1 3.46Å; A590-L612 VanDerWaalsContact CB-CD1 3.46Å; A590-L884 VanDerWaalsContact CA-CD1 3.41Å; A590-L884 HydrophobicContact CB-CD1 3.55Å
591	Q	88.6	Confident	88.7	Confident	140 Å²	140	48.7 Å²	48.7	65%	0.654	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-77	-20.3	175.5	-56.3	173.2	33.2	0	0	111.7	D588 L589 I593	D588-Q591 HydrophobicContact CB-CG 4.42Å; D588-Q591 WeakPolarHBondContact O-CA 3.23Å; D588-Q591 VanDerWaalsContact O-CB 3.28Å; D588-Q591 WeakPolarHBondContact O-CB 3.37Å; D588-Q591 PolarHBondContact O-N 2.94Å; D588-Q591 PolarHBondContact OD1-NE2 3.45Å; L589-Q591 VanDerWaalsContact C-N 3.26Å; L589-Q591 PolarHBondContact O-N 3.29Å; Q591-I593 VanDerWaalsContact C-N 3.31Å
592	T	88.8	Confident	89.4	Confident	50 Å²	50	48.5 Å²	48.5	31%	0.307	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-81.9	-8.5	178.8	74.3	0	0	0	0	113.7	L589 A590 N886	L589-T592 PolarHBondContact O-N 3.47Å; L589-T592 VanDerWaalsContact O-N 3.16Å; L589-T592 PolarHBondContact O-OG1 2.99Å; A590-T592 VanDerWaalsContact C-N 3.3Å; T592-N886 PolarHBondContact OG1-ND2 3.4Å; T592-N886 VanDerWaalsContact OG1-ND2 3.1Å
593	I	89.6	Confident	89.4	Confident	24 Å²	24	48.5 Å²	48.5	12%	0.123	25%	0.25	C	S	.	.			trans	-80.2	132	-178.9	-68.3	-176.6	0	0	0	109.9	Q591 Q595 W599 Y601 K602 L884 N886	Q591-I593 VanDerWaalsContact C-N 3.31Å; I593-Q595 HydrophobicContact CG2-CG 4.3Å; I593-W599 WeakPolarHBondContact CG2-O 3.35Å; I593-Y601 WeakPolarHBondContact CD1-O 3.39Å; I593-K602 HydrophobicContact CD1-CB 4Å; I593-K602 HydrophobicContact CD1-CG 4.43Å; I593-K602 HydrophobicContact CG2-CB 4.13Å; I593-K602 HydrophobicContact CG2-CD 4.43Å; I593-L884 HydrophobicContact CD1-CD1 3.37Å; I593-L884 HydrophobicContact CD1-CD2 4.41Å; I593-L884 HydrophobicContact CD1-CG 3.57Å; I593-L884 HydrophobicContact CG1-CD1 4.4Å; I593-N886 HydrophobicContact CD1-CB 4.38Å; I593-N886 HydrophobicContact CG1-CB 4.27Å
594	N	87.7	Confident	89	Confident	67 Å²	67	55 Å²	55	36%	0.358	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-125.2	100.4	174.9	-174.8	-13.5	0	0	0	109.7	N596 T597 N598 W599	N594-N596 VanDerWaalsContact C-N 3.25Å; N594-N596 PolarHBondContact O-N 3.13Å; N594-N596 WeakPolarHBondContact OD1-CB 3.3Å; N594-N596 PolarHBondContact OD1-N 3.42Å; N594-T597 WeakPolarHBondContact CB-OG1 3.49Å; N594-T597 VanDerWaalsContact CG-OG1 3.23Å; N594-T597 PolarHBondContact ND2-OG1 3.36Å; N594-T597 PolarHBondContact O-N 3.17Å; N594-T597 PolarHBondContact O-OG1 3.29Å; N594-T597 PolarHBondContact OD1-N 2.91Å; N594-N598 PolarHBondContact O-N 2.93Å; N594-W599 HydrophobicContact CB-CB 4.27Å; N594-W599 PolarHBondContact N-O 3.31Å; N594-W599 PolarHBondContact O-N 3.1Å
595	Q	78.3	Confident	88.1	Confident	118 Å²	118	56.4 Å²	56.4	55%	0.551	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-66.1	-28.1	-179.6	-68.2	-175.6	-8.6	0	0	112.5	I593 T597 N598	I593-Q595 HydrophobicContact CG2-CG 4.3Å; Q595-T597 VanDerWaalsContact C-N 3.28Å; Q595-T597 PolarHBondContact O-N 2.95Å; Q595-N598 PolarHBondContact O-N 3.03Å
596	N	81.7	Confident	87	Confident	158 Å²	158	56.6 Å²	56.6	85%	0.845	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-68	-30	179.1	-61.8	-25.4	0	0	0	112.1	N594	N594-N596 VanDerWaalsContact C-N 3.25Å; N594-N596 PolarHBondContact O-N 3.13Å; N594-N596 WeakPolarHBondContact OD1-CB 3.3Å; N594-N596 PolarHBondContact OD1-N 3.42Å
597	T	82	Confident	85.7	Confident	76 Å²	76	60 Å²	60	47%	0.466	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-101.8	13.1	179.1	59.9	0	0	0	0	112.6	N594 Q595 W599	N594-T597 WeakPolarHBondContact CB-OG1 3.49Å; N594-T597 VanDerWaalsContact CG-OG1 3.23Å; N594-T597 PolarHBondContact ND2-OG1 3.36Å; N594-T597 PolarHBondContact O-N 3.17Å; N594-T597 PolarHBondContact O-OG1 3.29Å; N594-T597 PolarHBondContact OD1-N 2.91Å; Q595-T597 VanDerWaalsContact C-N 3.28Å; Q595-T597 PolarHBondContact O-N 2.95Å; T597-W599 PolarHBondContact O-N 3.39Å; T597-W599 WeakPolarHBondContact OG1-CB 3.49Å
598	N	82.7	Confident	84.4	Confident	65 Å²	65	62.3 Å²	62.3	35%	0.348	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	42.4	-174.1	-166.3	36	0	0	0	112.5	N594 Q595 W791 R819	N594-N598 PolarHBondContact O-N 2.93Å; Q595-N598 PolarHBondContact O-N 3.03Å; N598-W791 PolarHBondContact O-NE1 2.98Å; N598-R819 VanDerWaalsContact O-O 3.1Å; N598-R819 VanDerWaalsContact OD1-CD 3.29Å; N598-R819 WeakPolarHBondContact OD1-CD 3.24Å; N598-R819 PolarHBondContact OD1-NH1 3.36Å
599	W	91.9	Very high	83	Confident	53 Å²	53	65.2 Å²	65.2	20%	0.201	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-109.5	112.8	-177.3	-174.9	-90.3	0	0	0	111.6	I593 N594 T597 W791 R819 A821 R887 E889	I593-W599 WeakPolarHBondContact CG2-O 3.35Å; N594-W599 HydrophobicContact CB-CB 4.27Å; N594-W599 PolarHBondContact N-O 3.31Å; N594-W599 PolarHBondContact O-N 3.1Å; T597-W599 PolarHBondContact O-N 3.39Å; T597-W599 WeakPolarHBondContact OG1-CB 3.49Å; W599-W791 HydrophobicContact CE3-CZ2 4.23Å; W599-W791 HydrophobicContact CZ3-CZ2 4.18Å; W599-R819 CarbonylContact C-O 3.51Å; W599-R819 VanDerWaalsContact CA-O 3.29Å; W599-R819 WeakPolarHBondContact CA-O 3.48Å; W599-A821 HydrophobicContact CH2-CB 4.17Å; W599-A821 HydrophobicContact CZ3-CB 4.12Å; W599-R887 HydrophobicContact CZ2-CG 4.28Å; W599-E889 WeakPolarHBondContact CH2-OE1 3.45Å; W599-E889 WeakPolarHBondContact CZ2-OE1 3.13Å
600	G	93.7	Very high	81.9	Confident	3 Å²	3	72.8 Å²	72.8	3%	0.031	38%	0.384	C	S	.	.	S	Bend	trans	79.5	144.5	-175.8	0	0	0	0	0	113.2	R819 N886	G600-R819 PolarHBondContact N-O 3.45Å; G600-N886 VanDerWaalsContact CA-OD1 3.28Å; G600-N886 WeakPolarHBondContact CA-OD1 3.01Å
601	Y	93.8	Very high	81	Confident	51 Å²	51	75 Å²	75	20%	0.2	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	133.5	171.9	172.1	-95.7	0	0	0	110.5	I593 P817 L882 L884 Y885	I593-Y601 WeakPolarHBondContact CD1-O 3.39Å; Y601-P817 WeakPolarHBondContact CB-O 3.25Å; Y601-P817 HydrophobicContact CD2-CB 3.88Å; Y601-P817 HydrophobicContact CD2-CG 3.58Å; Y601-P817 HydrophobicContact CE2-CG 3.76Å; Y601-P817 HydrophobicContact CG-CB 4.31Å; Y601-P817 HydrophobicContact CG-CG 4.15Å; Y601-L882 HydrophobicContact CD1-CD2 3.65Å; Y601-L882 HydrophobicContact CD1-CG 4.14Å; Y601-L882 HydrophobicContact CE1-CB 4.49Å; Y601-L882 HydrophobicContact CE1-CD2 3.55Å; Y601-L882 HydrophobicContact CE1-CG 3.84Å; Y601-L884 WeakPolarHBondContact O-CA 3.47Å; Y601-Y885 PolarHBondContact N-O 3.29Å; Y601-Y885 PolarHBondContact O-N 3.16Å
602	K	91.2	Very high	80.2	Confident	40 Å²	40	71.1 Å²	71.1	17%	0.174	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	127.2	174.5	-164.6	176.2	171.5	175.8	0	108.5	I593 F606	I593-K602 HydrophobicContact CD1-CB 4Å; I593-K602 HydrophobicContact CD1-CG 4.43Å; I593-K602 HydrophobicContact CG2-CB 4.13Å; I593-K602 HydrophobicContact CG2-CD 4.43Å; K602-F606 HydrophobicContact CD-CD1 4.31Å; K602-F606 WeakPolarHBondContact CE-O 2.78Å; K602-F606 HydrophobicContact CG-CB 4.41Å; K602-F606 HydrophobicContact CG-CD1 3.78Å; K602-F606 PolarHBondContact NZ-O 2.59Å
603	S	89.1	Confident	79.6	Confident	13 Å²	13	74.6 Å²	74.6	9%	0.091	39%	0.391	C	S	.	.			trans	-62.1	146.5	176.4	-175.3	0	0	0	0	110.5	D605 F606 R881 L883	S603-D605 PolarHBondContact O-N 2.92Å; S603-F606 WeakPolarHBondContact O-CB 3.37Å; S603-F606 PolarHBondContact O-N 3.02Å; S603-R881 PolarHBondContact OG-NH2 3.42Å; S603-L883 PolarHBondContact N-O 3.39Å
604	L	81.7	Confident	79.2	Confident	144 Å²	144	76.1 Å²	76.1	75%	0.754	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-58.5	-48.3	-176.2	-136.6	86.2	0	0	0	111.4	F606 T607	L604-F606 PolarHBondContact O-N 3.46Å; L604-T607 WeakPolarHBondContact O-CB 3.33Å; L604-T607 VanDerWaalsContact O-CG2 3.31Å; L604-T607 WeakPolarHBondContact O-CG2 3.42Å; L604-T607 PolarHBondContact O-N 2.79Å; L604-T607 PolarHBondContact O-OG1 3.05Å
605	D	71.8	Confident	79.1	Confident	87 Å²	87	74.4 Å²	74.4	47%	0.465	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-77.1	-3.2	179.7	-16	-30.9	0	0	0	112.8	S603 T607 R881	S603-D605 PolarHBondContact O-N 2.92Å; D605-T607 PolarHBondContact O-N 3.25Å; D605-R881 IonicContact OD2-CZ 3.58Å; D605-R881 VanDerWaalsContact OD2-CZ 3.26Å; D605-R881 IonicContact OD2-NH1 3.39Å; D605-R881 PolarHBondContact OD2-NH1 2.73Å; D605-R881 IonicContact OD2-NH2 2.85Å; D605-R881 PolarHBondContact OD2-NH2 2.95Å
606	F	73.4	Confident	79.8	Confident	3 Å²	3	69.9 Å²	69.9	1%	0.013	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-84.7	22.2	170.4	-165.9	-122	0	0	0	111.8	A590 K602 S603 L604 E611 L612 L883 L884	A590-F606 HydrophobicContact CB-CE1 4.21Å; K602-F606 HydrophobicContact CD-CD1 4.31Å; K602-F606 WeakPolarHBondContact CE-O 2.78Å; K602-F606 HydrophobicContact CG-CB 4.41Å; K602-F606 HydrophobicContact CG-CD1 3.78Å; K602-F606 PolarHBondContact NZ-O 2.59Å; S603-F606 WeakPolarHBondContact O-CB 3.37Å; S603-F606 PolarHBondContact O-N 3.02Å; L604-F606 PolarHBondContact O-N 3.46Å; F606-E611 HydrophobicContact CD2-CB 4.25Å; F606-E611 WeakPolarHBondContact CE2-O 3.47Å; F606-L612 HydrophobicContact CE1-CD1 3.75Å; F606-L612 HydrophobicContact CE2-CD1 4.45Å; F606-L612 HydrophobicContact CZ-CD1 3.7Å; F606-L883 HydrophobicContact CB-CB 4.42Å; F606-L883 HydrophobicContact CB-CD2 4.5Å; F606-L883 HydrophobicContact CD1-CB 4.21Å; F606-L883 HydrophobicContact CD2-CB 4.02Å; F606-L883 HydrophobicContact CD2-CD1 3.9Å; F606-L883 HydrophobicContact CD2-CD2 4.36Å; F606-L883 HydrophobicContact CD2-CG 4.33Å; F606-L883 HydrophobicContact CE2-CB 4.34Å; F606-L883 HydrophobicContact CE2-CD1 3.93Å; F606-L883 HydrophobicContact CG-CB 3.97Å; F606-L884 HydrophobicContact CE1-CB 4.25Å; F606-L884 HydrophobicContact CE1-CD1 4.18Å
607	T	65.4	Low	80.5	Confident	77 Å²	77	62.4 Å²	62.4	47%	0.472	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-94.2	-20.7	175.8	48.8	0	0	0	0	112.9	L604 D605 S609	L604-T607 WeakPolarHBondContact O-CB 3.33Å; L604-T607 VanDerWaalsContact O-CG2 3.31Å; L604-T607 WeakPolarHBondContact O-CG2 3.42Å; L604-T607 PolarHBondContact O-N 2.79Å; L604-T607 PolarHBondContact O-OG1 3.05Å; D605-T607 PolarHBondContact O-N 3.25Å; T607-S609 PolarHBondContact O-N 3.42Å
608	D	65.2	Low	81.3	Confident	97 Å²	97	59 Å²	59	52%	0.519	31%	0.307	S	S	.	.	S	Bend	trans	-63.3	127.2	176.9	-68.1	-29.9	0	0	0	110.9	E610 E611 L612	D608-E610 PolarHBondContact O-N 3.21Å; D608-E611 HydrophobicContact CB-CB 4.33Å; D608-E611 PolarHBondContact O-N 3.42Å; D608-E611 VanDerWaalsContact O-N 3.08Å; D608-L612 PolarHBondContact O-N 3.43Å
609	S	64.4	Low	82	Confident	83 Å²	83	55.9 Å²	55.9	58%	0.58	29%	0.291	S	S	*	.	H	α-helix	trans	-57.2	-32.1	-179.8	65.6	0	0	0	0	112.6	T607 L612 N613	T607-S609 PolarHBondContact O-N 3.42Å; S609-L612 PolarHBondContact O-N 3.38Å; S609-N613 VanDerWaalsContact O-CB 3.29Å; S609-N613 WeakPolarHBondContact O-CB 3.12Å; S609-N613 PolarHBondContact O-N 3.21Å; S609-N613 PolarHBondContact O-ND2 2.59Å
610	E	68	Low	82.4	Confident	163 Å²	163	53.4 Å²	53.4	76%	0.762	28%	0.282	S	S	*	.	H	α-helix	trans	-66	-46.6	175.1	-63.5	-168.9	166.7	0	0	112.2	D608 L612 N613 K614	D608-E610 PolarHBondContact O-N 3.21Å; E610-L612 VanDerWaalsContact C-N 3.34Å; E610-L612 PolarHBondContact O-N 3.26Å; E610-N613 PolarHBondContact O-N 2.93Å; E610-K614 PolarHBondContact O-N 3.39Å
611	E	73	Confident	82.6	Confident	62 Å²	62	53.2 Å²	53.2	29%	0.29	28%	0.28	S	S	.	.	H	α-helix	trans	-66.4	-36.6	175.7	-82.7	-64.8	125.6	0	0	111.3	R558 F606 D608 N613 K614	R558-E611 VanDerWaalsContact CZ-O 3.24Å; R558-E611 IonicContact CZ-OE2 3.09Å; R558-E611 PolarHBondContact NH1-O 3.15Å; R558-E611 PolarHBondContact NH2-O 3.31Å; R558-E611 IonicContact NH2-OE2 2.88Å; R558-E611 PolarHBondContact NH2-OE2 3.39Å; F606-E611 HydrophobicContact CD2-CB 4.25Å; F606-E611 WeakPolarHBondContact CE2-O 3.47Å; D608-E611 HydrophobicContact CB-CB 4.33Å; D608-E611 PolarHBondContact O-N 3.42Å; D608-E611 VanDerWaalsContact O-N 3.08Å; E611-N613 VanDerWaalsContact C-N 3.34Å; E611-K614 PolarHBondContact O-N 3.41Å
612	L	71.6	Confident	82.8	Confident	60 Å²	60	50.8 Å²	50.8	31%	0.314	27%	0.271	S	S	.	.	H	α-helix	trans	-65.1	-38.7	177.3	-172.5	65.2	0	0	0	112.2	A590 F606 D608 S609 E610 K614	A590-L612 HydrophobicContact CB-CD1 3.46Å; A590-L612 VanDerWaalsContact CB-CD1 3.46Å; F606-L612 HydrophobicContact CE1-CD1 3.75Å; F606-L612 HydrophobicContact CE2-CD1 4.45Å; F606-L612 HydrophobicContact CZ-CD1 3.7Å; D608-L612 PolarHBondContact O-N 3.43Å; S609-L612 PolarHBondContact O-N 3.38Å; E610-L612 VanDerWaalsContact C-N 3.34Å; E610-L612 PolarHBondContact O-N 3.26Å; L612-K614 VanDerWaalsContact C-N 3.32Å
613	N	74.6	Confident	83.1	Confident	123 Å²	123	48.9 Å²	48.9	66%	0.658	26%	0.262	S	S	*	.	H	α-helix	trans	-80.8	-10.5	-177.2	-70.7	-27.4	0	0	0	113.7	S609 E610 E611	S609-N613 VanDerWaalsContact O-CB 3.29Å; S609-N613 WeakPolarHBondContact O-CB 3.12Å; S609-N613 PolarHBondContact O-N 3.21Å; S609-N613 PolarHBondContact O-ND2 2.59Å; E610-N613 PolarHBondContact O-N 2.93Å; E611-N613 VanDerWaalsContact C-N 3.34Å
614	K	82.2	Confident	83.4	Confident	56 Å²	56	48.3 Å²	48.3	24%	0.243	26%	0.258	C	S	.	.	S	Bend	trans	-67.1	123.9	178.6	176.9	178	-175.3	175.8	0	110.5	R558 E610 E611 L612	R558-K614 PolarHBondContact NH1-O 3.12Å; E610-K614 PolarHBondContact O-N 3.39Å; E611-K614 PolarHBondContact O-N 3.41Å; L612-K614 VanDerWaalsContact C-N 3.32Å
615	P	85.8	Confident	83.9	Confident	31 Å²	31	43.4 Å²	43.4	20%	0.201	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-66.3	156.3	-175.7	24.9	-33.7	0	0	0	112.8	A1069	P615-A1069 HydrophobicContact CG-CB 3.79Å
616	M	93.4	Very high	84.7	Confident	22 Å²	22	39.2 Å²	39.2	11%	0.108	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-71.3	145	169.1	-53.9	-59.3	126.1	0	0	110.2	R558 F560 F619 Y665 R683 I901	R558-M616 HydrophobicContact CG-CE 4.16Å; R558-M616 HydrophobicContact CG-SD 3.61Å; F560-M616 HydrophobicContact CB-CG 4.25Å; F560-M616 HydrophobicContact CB-SD 4.38Å; M616-F619 HydrophobicContact CB-CD2 4.19Å; M616-F619 HydrophobicContact CB-CE2 3.53Å; M616-F619 HydrophobicContact CB-CZ 3.79Å; M616-F619 HydrophobicContact CG-CE1 4.26Å; M616-F619 HydrophobicContact CG-CE2 3.87Å; M616-F619 HydrophobicContact CG-CZ 3.55Å; M616-Y665 WeakPolarHBondContact O-CE1 3.42Å; M616-Y665 VanDerWaalsContact O-CZ 3.31Å; M616-Y665 PolarHBondContact O-OH 3.21Å; M616-R683 WeakPolarHBondContact O-CD 3.38Å; M616-R683 PolarHBondContact O-NE 3.45Å; M616-I901 HydrophobicContact CE-CD1 3.85Å; M616-I901 HydrophobicContact CE-CG1 4.4Å; M616-I901 HydrophobicContact CE-CG2 3.86Å; M616-I901 HydrophobicContact SD-CD1 4.34Å; M616-I901 HydrophobicContact SD-CG1 4.26Å; M616-I901 HydrophobicContact SD-CG2 3.62Å
617	D	95.7	Very high	85.4	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.011	21%	0.212	C	C	.	.	S	Bend	trans	-90.9	-34.8	172.6	-63.2	-59.2	0	0	0	112	L557 R558 R683 R685 L686	L557-D617 HydrophobicContact CD1-CB 3.49Å; L557-D617 VanDerWaalsContact CD1-CB 3.49Å; L557-D617 HydrophobicContact CG-CB 4.1Å; R558-D617 PolarHBondContact N-OD2 3.47Å; R558-D617 WeakPolarHBondContact O-CA 3.4Å; R558-D617 VanDerWaalsContact O-CB 3.3Å; R558-D617 WeakPolarHBondContact O-CB 3.25Å; R558-D617 PolarHBondContact O-N 2.95Å; D617-R683 PolarHBondContact O-N 3Å; D617-R685 IonicContact OD1-CZ 3.58Å; D617-R685 IonicContact OD1-NH1 2.79Å; D617-R685 PolarHBondContact OD1-NH1 3.49Å; D617-R685 IonicContact OD1-NH2 3.47Å; D617-R685 PolarHBondContact OD1-NH2 3.12Å; D617-L686 HydrophobicContact CB-CD1 3.58Å
618	V	98.1	Very high	86.2	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136.4	-173.7	-178	0	0	0	0	110.5	L557 R558 L559 F560 L680 F681 V682 F725	L557-V618 HydrophobicContact CD1-CG2 4.37Å; L557-V618 HydrophobicContact CD2-CG2 4.01Å; L557-V618 HydrophobicContact CG-CG2 4.38Å; R558-V618 PolarHBondContact O-N 3.27Å; L559-V618 CarbonylContact C-O 3.58Å; L559-V618 WeakPolarHBondContact CA-O 3.34Å; L559-V618 HydrophobicContact CB-CB 4.04Å; F560-V618 PolarHBondContact N-O 3.07Å; V618-L680 HydrophobicContact CG1-CD1 3.61Å; V618-F681 CarbonylContact C-O 3.56Å; V618-F681 WeakPolarHBondContact CA-O 3.47Å; V618-V682 HydrophobicContact CG1-CG2 4.16Å; V618-V682 HydrophobicContact CG2-CG1 4.4Å; V618-V682 HydrophobicContact CG2-CG2 4.09Å; V618-F725 HydrophobicContact CG1-CE2 4.48Å; V618-F725 HydrophobicContact CG1-CZ 4.26Å
619	F	98.7	Very high	86.7	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.3	165.9	-76.3	-94.9	0	0	0	109.7	F560 L586 L587 M616 I621 L655 Y665 L680 F681	F560-F619 HydrophobicContact CB-CD1 3.48Å; F560-F619 VanDerWaalsContact CB-CD1 3.48Å; F560-F619 HydrophobicContact CB-CE1 3.54Å; F560-F619 HydrophobicContact CB-CG 4.18Å; F560-F619 HydrophobicContact CB-CZ 4.31Å; F560-F619 AromaticContact CD1-CD1 3.38Å; F560-F619 HydrophobicContact CD1-CD1 3.38Å; F560-F619 AromaticContact CD1-CE1 3.79Å; F560-F619 HydrophobicContact CD1-CE1 3.79Å; F560-F619 HydrophobicContact CD1-CG 4.46Å; F560-F619 HydrophobicContact CD2-CE1 4.11Å; F560-F619 HydrophobicContact CE1-CD1 4.19Å; F560-F619 HydrophobicContact CE1-CE1 4.48Å; F560-F619 AromaticContact CG-CD1 3.56Å; F560-F619 HydrophobicContact CG-CD1 3.56Å; F560-F619 AromaticContact CG-CE1 3.55Å; F560-F619 HydrophobicContact CG-CE1 3.55Å; F560-F619 WeakPolarHBondContact O-CA 3.22Å; L586-F619 WeakPolarHBondContact O-CE1 3.25Å; L587-F619 HydrophobicContact CD2-CZ 3.89Å; M616-F619 HydrophobicContact CB-CD2 4.19Å; M616-F619 HydrophobicContact CB-CE2 3.53Å; M616-F619 HydrophobicContact CB-CZ 3.79Å; M616-F619 HydrophobicContact CG-CE1 4.26Å; M616-F619 HydrophobicContact CG-CE2 3.87Å; M616-F619 HydrophobicContact CG-CZ 3.55Å; F619-I621 HydrophobicContact CB-CD1 4.38Å; F619-I621 HydrophobicContact CB-CG1 4.4Å; F619-L655 HydrophobicContact CB-CD1 4.09Å; F619-L655 HydrophobicContact CD1-CD2 3.63Å; F619-L655 HydrophobicContact CD2-CD1 4.15Å; F619-L655 HydrophobicContact CD2-CD2 3.89Å; F619-L655 HydrophobicContact CE1-CD2 3.6Å; F619-L655 HydrophobicContact CE2-CD2 3.81Å; F619-L655 HydrophobicContact CG-CD1 4.03Å; F619-L655 HydrophobicContact CG-CD2 3.8Å; F619-L655 HydrophobicContact CZ-CD2 3.7Å; F619-Y665 HydrophobicContact CD2-CD1 4.02Å; F619-Y665 AromaticContact CD2-CE1 3.65Å; F619-Y665 HydrophobicContact CD2-CE1 3.65Å; F619-Y665 AromaticContact CD2-CZ 3.97Å; F619-Y665 HydrophobicContact CE2-CD1 4.37Å; F619-Y665 AromaticContact CE2-CE1 3.68Å; F619-Y665 HydrophobicContact CE2-CE1 3.68Å; F619-Y665 HydrophobicContact CE2-CE2 4.04Å; F619-Y665 AromaticContact CE2-CZ 3.49Å; F619-Y665 VanDerWaalsContact CE2-CZ 3.49Å; F619-L680 WeakPolarHBondContact O-CA 3.09Å; F619-F681 HydrophobicContact CB-CB 4.19Å; F619-F681 HydrophobicContact CB-CD2 4.31Å; F619-F681 PolarHBondContact N-O 3.35Å; F619-F681 PolarHBondContact O-N 2.85Å
620	A	98.8	Very high	87.2	Confident	1 Å²	1	38 Å²	38	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	114.8	167.1	0	0	0	0	0	108.9	F560 V561 G562 F679 F725	F560-A620 PolarHBondContact O-N 3.16Å; V561-A620 CarbonylContact C-O 3.46Å; V561-A620 WeakPolarHBondContact CA-O 2.9Å; G562-A620 PolarHBondContact N-O 3.01Å; A620-F679 WeakPolarHBondContact CA-O 3.46Å; A620-F725 HydrophobicContact CB-CB 4.21Å; A620-F725 HydrophobicContact CB-CD1 3.2Å; A620-F725 HydrophobicContact CB-CD2 4.21Å; A620-F725 HydrophobicContact CB-CE1 3.51Å; A620-F725 HydrophobicContact CB-CE2 4.45Å; A620-F725 HydrophobicContact CB-CG 3.6Å; A620-F725 HydrophobicContact CB-CZ 4.13Å
621	I	98.7	Very high	87.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	109.1	-172.2	-58.3	173.1	0	0	0	108.6	W585 L586 F619 F623 L651 L655 L678 F679 F681	W585-I621 HydrophobicContact CH2-CG2 3.78Å; W585-I621 HydrophobicContact CZ3-CG2 4.25Å; L586-I621 HydrophobicContact CD1-CD1 4.43Å; L586-I621 HydrophobicContact CD2-CD1 3.66Å; L586-I621 HydrophobicContact CD2-CG1 4.29Å; F619-I621 HydrophobicContact CB-CD1 4.38Å; F619-I621 HydrophobicContact CB-CG1 4.4Å; I621-F623 HydrophobicContact CG2-CD1 4.2Å; I621-F623 HydrophobicContact CG2-CE1 3.66Å; I621-F623 HydrophobicContact CG2-CZ 3.88Å; I621-L651 HydrophobicContact CB-CD1 4.47Å; I621-L651 HydrophobicContact CD1-CD1 4.12Å; I621-L651 HydrophobicContact CD1-CD2 4.02Å; I621-L651 HydrophobicContact CG2-CD1 4.14Å; I621-L655 HydrophobicContact CD1-CD1 4.33Å; I621-L678 WeakPolarHBondContact O-CA 3.14Å; I621-F679 PolarHBondContact N-O 3.48Å; I621-F679 PolarHBondContact O-N 3.18Å; I621-F681 HydrophobicContact CD1-CD2 4.36Å; I621-F681 HydrophobicContact CD1-CE2 4.19Å
622	G	98.3	Very high	87.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136.1	174.3	0	0	0	0	0	111.3	G562 T563 W564 C677 C727	G562-G622 PolarHBondContact O-N 3.46Å; T563-G622 CarbonylContact C-O 3.55Å; T563-G622 VanDerWaalsContact CA-O 3.24Å; T563-G622 WeakPolarHBondContact CA-O 3.3Å; W564-G622 PolarHBondContact N-O 3.31Å; G622-C677 CarbonylContact C-O 3.47Å; G622-C677 WeakPolarHBondContact CA-O 3.22Å; G622-C727 VanDerWaalsContact CA-SG 3.51Å
623	F	96.7	Very high	87.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.2	171.4	-69.7	-25.9	0	0	0	110.8	W564 V566 W585 I621 I626 W647 L651 V676 C677 F679	W564-F623 HydrophobicContact CB-CD1 3.85Å; W564-F623 HydrophobicContact CB-CE1 3.92Å; W564-F623 AromaticContact CE3-CE1 3.91Å; W564-F623 HydrophobicContact CE3-CE1 3.91Å; W564-F623 HydrophobicContact CE3-CZ 4.34Å; W564-F623 VanDerWaalsContact O-CA 3.27Å; W564-F623 WeakPolarHBondContact O-CA 3.45Å; W564-F623 WeakPolarHBondContact O-CD1 3.43Å; V566-F623 HydrophobicContact CG1-CD1 3.99Å; V566-F623 HydrophobicContact CG1-CD2 4.46Å; V566-F623 HydrophobicContact CG1-CE1 4.25Å; V566-F623 HydrophobicContact CG1-CG 4.12Å; W585-F623 AromaticContact CH2-CE1 3.79Å; W585-F623 HydrophobicContact CH2-CE1 3.79Å; W585-F623 AromaticContact CZ3-CE1 3.85Å; W585-F623 HydrophobicContact CZ3-CE1 3.85Å; W585-F623 HydrophobicContact CZ3-CZ 4.35Å; I621-F623 HydrophobicContact CG2-CD1 4.2Å; I621-F623 HydrophobicContact CG2-CE1 3.66Å; I621-F623 HydrophobicContact CG2-CZ 3.88Å; F623-I626 HydrophobicContact CD2-CD1 4.1Å; F623-I626 HydrophobicContact CD2-CG1 4.46Å; F623-W647 HydrophobicContact CD2-CD2 4.24Å; F623-W647 HydrophobicContact CD2-CG 4.27Å; F623-W647 HydrophobicContact CE2-CB 4.19Å; F623-W647 AromaticContact CE2-CD2 3.54Å; F623-W647 HydrophobicContact CE2-CD2 3.54Å; F623-W647 AromaticContact CE2-CE3 3.49Å; F623-W647 HydrophobicContact CE2-CE3 3.49Å; F623-W647 VanDerWaalsContact CE2-CE3 3.49Å; F623-W647 AromaticContact CE2-CG 3.88Å; F623-W647 HydrophobicContact CE2-CG 3.88Å; F623-W647 HydrophobicContact CE2-CZ3 4.06Å; F623-W647 HydrophobicContact CZ-CD2 4.33Å; F623-W647 AromaticContact CZ-CE3 3.88Å; F623-W647 HydrophobicContact CZ-CE3 3.88Å; F623-W647 HydrophobicContact CZ-CZ3 4.02Å; F623-L651 HydrophobicContact CE2-CD1 3.96Å; F623-L651 HydrophobicContact CZ-CD1 4.08Å; F623-L651 HydrophobicContact CZ-CD2 4.25Å; F623-V676 CarbonylContact O-C 3.56Å; F623-V676 VanDerWaalsContact O-CA 3.31Å; F623-V676 WeakPolarHBondContact O-CA 3.37Å; F623-C677 PolarHBondContact N-O 2.72Å; F623-C677 PolarHBondContact O-N 3.03Å; F623-F679 HydrophobicContact CD2-CD2 4.44Å; F623-F679 AromaticContact CD2-CE2 3.86Å; F623-F679 HydrophobicContact CD2-CE2 3.86Å; F623-F679 HydrophobicContact CE2-CE2 4.17Å
624	E	95.7	Very high	87.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	149.8	171.5	-60.7	75.5	-160.7	0	0	109.4	T563 W564 N565 V566 I626 G675 C727 H729 G769 D770	T563-E624 PolarHBondContact OG1-OE1 2.76Å; T563-E624 PolarHBondContact OG1-OE2 3.08Å; W564-E624 PolarHBondContact O-N 2.81Å; W564-E624 VanDerWaalsContact O-N 3.16Å; N565-E624 CarbonylContact C-O 3.59Å; N565-E624 WeakPolarHBondContact CA-O 3.44Å; N565-E624 HydrophobicContact CB-CB 3.94Å; N565-E624 PolarHBondContact N-OE2 2.89Å; N565-E624 PolarHBondContact OD1-O 3.47Å; V566-E624 WeakPolarHBondContact CG2-O 3.16Å; V566-E624 PolarHBondContact N-O 2.93Å; E624-I626 PolarHBondContact O-N 2.97Å; E624-G675 CarbonylContact C-O 3.6Å; E624-G675 WeakPolarHBondContact CA-O 3.39Å; E624-C727 PolarHBondContact OE1-SG 2.81Å; E624-H729 HydrophobicContact CB-CB 4.49Å; E624-H729 HydrophobicContact CG-CB 3.96Å; E624-G769 WeakPolarHBondContact OE1-CA 3.2Å; E624-D770 HydrophobicContact CB-CB 4.27Å; E624-D770 HydrophobicContact CG-CB 3.83Å; E624-D770 PolarHBondContact OE1-N 2.98Å
625	E	92.1	Very high	86.8	Confident	41 Å²	41	35.8 Å²	35.8	19%	0.192	21%	0.209	C	C	.	.			trans	53	37.7	-175.8	-50.9	-164.9	177.7	0	0	113.8	N565 G568 V627 L629 G675 H729	N565-E625 WeakPolarHBondContact OD1-CB 2.95Å; N565-E625 WeakPolarHBondContact OD1-CG 3.43Å; G568-E625 WeakPolarHBondContact CA-O 3.46Å; G568-E625 PolarHBondContact N-O 2.85Å; E625-V627 PolarHBondContact O-N 3.04Å; E625-L629 HydrophobicContact CG-CD1 4.48Å; E625-G675 PolarHBondContact N-O 3.47Å; E625-H729 IonicContact OE1-CE1 2.68Å; E625-H729 PolarHBondContact OE1-CE1 2.79Å
626	I	89.5	Confident	85.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-60.6	-13.2	174.9	-157	177.9	0	0	0	113.5	V566 F623 E624 N643 W647 Q672 G675 C677 F679	V566-I626 HydrophobicContact CG2-CB 4.29Å; V566-I626 HydrophobicContact CG2-CG1 4.42Å; F623-I626 HydrophobicContact CD2-CD1 4.1Å; F623-I626 HydrophobicContact CD2-CG1 4.46Å; E624-I626 PolarHBondContact O-N 2.97Å; I626-N643 HydrophobicContact CG1-CB 4.26Å; I626-N643 PolarHBondContact O-ND2 3.46Å; I626-W647 HydrophobicContact CD1-CB 4.29Å; I626-W647 HydrophobicContact CD1-CG 4.12Å; I626-W647 VanDerWaalsContact CG1-CD1 3.49Å; I626-W647 HydrophobicContact CG1-CG 4.4Å; I626-Q672 HydrophobicContact CG2-CG 4.5Å; I626-G675 WeakPolarHBondContact CG2-O 3.23Å; I626-G675 PolarHBondContact N-O 2.83Å; I626-C677 HydrophobicContact CB-CB 4.49Å; I626-C677 HydrophobicContact CD1-CB 3.82Å; I626-C677 HydrophobicContact CG2-CB 4.13Å; I626-F679 HydrophobicContact CD1-CE2 4.2Å; I626-F679 HydrophobicContact CD1-CZ 4.17Å
627	V	87.4	Confident	84.1	Confident	14 Å²	14	36.6 Å²	36.6	9%	0.085	22%	0.223	C	C	.	.	S	Bend	trans	-139	148.5	172.8	-65.6	0	0	0	0	109.3	E625 L629 N633 N643 V674	E625-V627 PolarHBondContact O-N 3.04Å; V627-L629 PolarHBondContact O-N 2.87Å; V627-N633 HydrophobicContact CG2-CB 4.31Å; V627-N643 HydrophobicContact CG1-CB 4.3Å; V627-V674 WeakPolarHBondContact CG2-O 3.43Å
628	D	82	Confident	82.6	Confident	95 Å²	95	39.1 Å²	39.1	51%	0.508	24%	0.241	S	C	.	.			trans	-55.3	134.6	174.2	-62.1	-35.4	0	0	0	111.3	G568 T630 N633	G568-D628 VanDerWaalsContact CA-OD1 3.29Å; G568-D628 WeakPolarHBondContact CA-OD1 3.39Å; D628-T630 HydrophobicContact CB-CG2 4.01Å; D628-T630 PolarHBondContact O-N 2.88Å; D628-N633 WeakPolarHBondContact O-CB 3.28Å; D628-N633 PolarHBondContact O-ND2 2.9Å
629	L	76	Confident	81.1	Confident	62 Å²	62	45 Å²	45	33%	0.325	27%	0.266	S	S	.	.			trans	-77.5	54.2	178.7	-64.5	176.9	0	0	0	112.3	E625 V627 V674 N708	E625-L629 HydrophobicContact CG-CD1 4.48Å; V627-L629 PolarHBondContact O-N 2.87Å; L629-V674 HydrophobicContact CD2-CG1 3.99Å; L629-N708 HydrophobicContact CD2-CB 4.08Å
630	T	75.9	Confident	79.7	Confident	63 Å²	63	48.8 Å²	48.8	39%	0.387	29%	0.29	S	S	.	.			trans	-77.8	155.6	171.9	66.1	0	0	0	0	111.1	D628 S632 N633 I634	D628-T630 HydrophobicContact CB-CG2 4.01Å; D628-T630 PolarHBondContact O-N 2.88Å; T630-S632 PolarHBondContact O-N 2.85Å; T630-S632 VanDerWaalsContact O-N 3.16Å; T630-N633 PolarHBondContact O-N 3.33Å; T630-N633 VanDerWaalsContact O-N 3.07Å; T630-N633 PolarHBondContact OG1-N 2.85Å; T630-N633 PolarHBondContact OG1-ND2 3.27Å; T630-I634 WeakPolarHBondContact O-CG1 3.41Å; T630-I634 PolarHBondContact O-N 3.14Å
631	T	73.4	Confident	78.9	Confident	115 Å²	115	49.8 Å²	49.8	71%	0.706	30%	0.297	S	S	*	.	H	α-helix	trans	-53.1	-37.1	173.4	-49.9	0	0	0	0	111.8	V635	T631-V635 HydrophobicContact CG2-CG2 4.37Å; T631-V635 WeakPolarHBondContact O-CB 3.46Å; T631-V635 WeakPolarHBondContact O-CG2 3.29Å; T631-V635 PolarHBondContact O-N 2.78Å
632	S	76.4	Confident	78.2	Confident	85 Å²	85	52 Å²	52	59%	0.594	32%	0.316	S	S	*	.	H	α-helix	trans	-60.6	-49.3	176.3	-176.3	0	0	0	0	112.2	T630 V635 A636	T630-S632 PolarHBondContact O-N 2.85Å; T630-S632 VanDerWaalsContact O-N 3.16Å; S632-V635 PolarHBondContact O-N 3.4Å; S632-A636 WeakPolarHBondContact O-CB 3.23Å; S632-A636 PolarHBondContact O-N 2.87Å
633	N	76	Confident	77.7	Confident	49 Å²	49	52.6 Å²	52.6	26%	0.262	32%	0.319	S	S	.	.	H	α-helix	trans	-69.9	-36.3	-178.1	-70.5	-19.9	0	0	0	112.3	V627 D628 T630 V635 A636 G637	V627-N633 HydrophobicContact CG2-CB 4.31Å; D628-N633 WeakPolarHBondContact O-CB 3.28Å; D628-N633 PolarHBondContact O-ND2 2.9Å; T630-N633 PolarHBondContact O-N 3.33Å; T630-N633 VanDerWaalsContact O-N 3.07Å; T630-N633 PolarHBondContact OG1-N 2.85Å; T630-N633 PolarHBondContact OG1-ND2 3.27Å; N633-V635 VanDerWaalsContact C-N 3.31Å; N633-V635 PolarHBondContact O-N 2.89Å; N633-A636 PolarHBondContact O-N 3.44Å; N633-G637 PolarHBondContact O-N 2.95Å
634	I	67.1	Low	77.3	Confident	51 Å²	51	53.2 Å²	53.2	26%	0.262	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-38.3	175.3	-64.1	168.7	0	0	0	110.8	T630 V674 A706 N708	T630-I634 WeakPolarHBondContact O-CG1 3.41Å; T630-I634 PolarHBondContact O-N 3.14Å; I634-V674 HydrophobicContact CG1-CG1 4.17Å; I634-A706 HydrophobicContact CG2-CB 4.47Å; I634-N708 HydrophobicContact CD1-CB 4.34Å; I634-N708 HydrophobicContact CG1-CB 4.48Å
635	V	67.2	Low	77	Confident	118 Å²	118	60.9 Å²	60.9	72%	0.715	35%	0.351	S	S	*	.	H	α-helix	trans	-77	-33.2	177.6	174.2	0	0	0	0	112.2	T631 S632 N633 G637	T631-V635 HydrophobicContact CG2-CG2 4.37Å; T631-V635 WeakPolarHBondContact O-CB 3.46Å; T631-V635 WeakPolarHBondContact O-CG2 3.29Å; T631-V635 PolarHBondContact O-N 2.78Å; S632-V635 PolarHBondContact O-N 3.4Å; N633-V635 VanDerWaalsContact C-N 3.31Å; N633-V635 PolarHBondContact O-N 2.89Å; V635-G637 PolarHBondContact O-N 3Å
636	A	62.5	Low	76.9	Confident	53 Å²	53	62 Å²	62	44%	0.438	36%	0.358	S	S	.	.	H	α-helix	trans	-60.9	-25.3	176.3	0	0	0	0	0	112.8	S632 N633	S632-A636 WeakPolarHBondContact O-CB 3.23Å; S632-A636 PolarHBondContact O-N 2.87Å; N633-A636 PolarHBondContact O-N 3.44Å
637	G	61	Low	77	Confident	16 Å²	16	62.2 Å²	62.2	17%	0.165	36%	0.359	C	S	.	.			trans	76.3	-152.4	168.8	0	0	0	0	0	114.2	N633 V635 K639	N633-G637 PolarHBondContact O-N 2.95Å; V635-G637 PolarHBondContact O-N 3Å; G637-K639 PolarHBondContact O-N 3.31Å
638	S	62.8	Low	77.3	Confident	56 Å²	56	61.7 Å²	61.7	39%	0.392	36%	0.356	S	S	.	.	S	Bend	trans	-77	21.1	-174.6	-37.6	0	0	0	0	114.5	Q672	S638-Q672 WeakPolarHBondContact CB-O 3.45Å
639	K	66.1	Low	77.8	Confident	127 Å²	127	61.6 Å²	61.6	55%	0.552	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-73.9	137.8	-179.7	-74.6	-179	-179.3	174.7	0	109.4	G637 S641	G637-K639 PolarHBondContact O-N 3.31Å; K639-S641 PolarHBondContact O-N 3.01Å; K639-S641 VanDerWaalsContact O-N 3.1Å
640	P	71.2	Confident	78.6	Confident	78 Å²	78	60 Å²	60	51%	0.506	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-54.7	119	173.1	-30	36.6	0	0	0	112.1
641	S	80.9	Confident	79.5	Confident	22 Å²	22	57 Å²	57	15%	0.154	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-79	162.1	178.6	61.5	0	0	0	0	111.5	K639 N643 Q644 R645 Q672	K639-S641 PolarHBondContact O-N 3.01Å; K639-S641 VanDerWaalsContact O-N 3.1Å; S641-N643 PolarHBondContact O-N 3.12Å; S641-Q644 PolarHBondContact O-N 3.48Å; S641-Q644 PolarHBondContact OG-N 2.77Å; S641-R645 PolarHBondContact O-N 2.94Å; S641-Q672 PolarHBondContact OG-NE2 2.98Å; S641-Q672 VanDerWaalsContact OG-NE2 3.11Å; S641-Q672 PolarHBondContact OG-OE1 2.77Å
642	A	83.9	Confident	80.5	Confident	47 Å²	47	54.8 Å²	54.8	39%	0.388	31%	0.307	S	S	.	.	H	α-helix	trans	-55.4	-45	167.1	0	0	0	0	0	110.2	Q644 R645 D646	A642-Q644 VanDerWaalsContact C-N 3.33Å; A642-Q644 PolarHBondContact O-N 2.82Å; A642-R645 WeakPolarHBondContact O-CB 3.38Å; A642-R645 PolarHBondContact O-N 3.37Å; A642-D646 PolarHBondContact O-N 2.69Å
643	N	87.4	Confident	81.3	Confident	13 Å²	13	58.1 Å²	58.1	7%	0.07	31%	0.306	C	S	.	.	H	α-helix	trans	-55.7	-42.1	177.1	-64.9	12.8	0	0	0	112.7	I626 V627 S641 R645 D646 W647	I626-N643 HydrophobicContact CG1-CB 4.26Å; I626-N643 PolarHBondContact O-ND2 3.46Å; V627-N643 HydrophobicContact CG1-CB 4.3Å; S641-N643 PolarHBondContact O-N 3.12Å; N643-R645 VanDerWaalsContact C-N 3.32Å; N643-R645 PolarHBondContact O-N 2.86Å; N643-D646 PolarHBondContact O-N 2.84Å; N643-W647 VanDerWaalsContact O-CB 3.27Å; N643-W647 WeakPolarHBondContact O-CB 3.4Å; N643-W647 PolarHBondContact O-N 3.18Å
644	Q	89.6	Confident	82.1	Confident	12 Å²	12	58 Å²	58	6%	0.056	30%	0.304	C	S	.	.	H	α-helix	trans	-59.4	-42.8	175.4	177.9	-177.1	17.1	0	0	112	S641 A642 G648 S670 F679	S641-Q644 PolarHBondContact O-N 3.48Å; S641-Q644 PolarHBondContact OG-N 2.77Å; A642-Q644 VanDerWaalsContact C-N 3.33Å; A642-Q644 PolarHBondContact O-N 2.82Å; Q644-G648 PolarHBondContact O-N 3.11Å; Q644-S670 PolarHBondContact NE2-OG 3.31Å; Q644-F679 HydrophobicContact CG-CE1 3.91Å; Q644-F679 HydrophobicContact CG-CZ 3.96Å; Q644-F679 VanDerWaalsContact O-CE1 3.29Å; Q644-F679 WeakPolarHBondContact O-CE1 3.5Å; Q644-F679 WeakPolarHBondContact O-CZ 3.34Å
645	R	88.4	Confident	83.5	Confident	161 Å²	161	55.7 Å²	55.7	61%	0.608	29%	0.292	S	S	*	.	H	α-helix	trans	-66.6	-46.3	178.8	-64.8	-175.9	-65.3	171.5	3.6	111	S641 A642 N643 G648 Q649	S641-R645 PolarHBondContact O-N 2.94Å; A642-R645 WeakPolarHBondContact O-CB 3.38Å; A642-R645 PolarHBondContact O-N 3.37Å; N643-R645 VanDerWaalsContact C-N 3.32Å; N643-R645 PolarHBondContact O-N 2.86Å; R645-G648 PolarHBondContact O-N 2.88Å; R645-Q649 WeakPolarHBondContact O-CG 3.4Å; R645-Q649 PolarHBondContact O-N 2.87Å
646	D	90.6	Very high	84.8	Confident	64 Å²	64	51.7 Å²	51.7	34%	0.342	27%	0.267	S	S	.	.	H	α-helix	trans	-66.2	-44.9	-177	-59.6	-18.5	0	0	0	110.8	F572 A642 N643 Q649 F650	F572-D646 HydrophobicContact CE1-CB 4.19Å; F572-D646 HydrophobicContact CE2-CB 4.08Å; F572-D646 HydrophobicContact CZ-CB 3.42Å; F572-D646 VanDerWaalsContact CZ-CB 3.42Å; A642-D646 PolarHBondContact O-N 2.69Å; N643-D646 PolarHBondContact O-N 2.84Å; D646-Q649 PolarHBondContact O-N 3.37Å; D646-F650 WeakPolarHBondContact O-CB 3.47Å; D646-F650 PolarHBondContact O-N 2.71Å
647	W	92	Very high	86.1	Confident	5 Å²	5	53 Å²	53	2%	0.019	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-43.7	171.4	-83.9	112	0	0	0	112.1	W564 V566 G569 F572 F623 I626 N643 Q649 F650 L651 F679	W564-W647 HydrophobicContact CH2-CH2 4.5Å; W564-W647 AromaticContact CZ3-CH2 3.85Å; W564-W647 HydrophobicContact CZ3-CH2 3.85Å; W564-W647 HydrophobicContact CZ3-CZ3 4.39Å; V566-W647 HydrophobicContact CG1-CZ2 4.24Å; G569-W647 PolarHBondContact O-NE1 2.97Å; F572-W647 HydrophobicContact CD1-CD2 4.15Å; F572-W647 HydrophobicContact CD1-CE3 4.14Å; F572-W647 HydrophobicContact CD1-CH2 4.31Å; F572-W647 HydrophobicContact CD1-CZ2 4.3Å; F572-W647 HydrophobicContact CD1-CZ3 4.23Å; F572-W647 AromaticContact CE1-CD2 3.62Å; F572-W647 HydrophobicContact CE1-CD2 3.62Å; F572-W647 AromaticContact CE1-CE2 3.76Å; F572-W647 HydrophobicContact CE1-CE3 4.02Å; F572-W647 AromaticContact CE1-CG 3.85Å; F572-W647 HydrophobicContact CE1-CG 3.85Å; F572-W647 HydrophobicContact CE1-CZ2 4.29Å; F572-W647 AromaticContact CE1-NE1 3.99Å; F623-W647 HydrophobicContact CD2-CD2 4.24Å; F623-W647 HydrophobicContact CD2-CG 4.27Å; F623-W647 HydrophobicContact CE2-CB 4.19Å; F623-W647 AromaticContact CE2-CD2 3.54Å; F623-W647 HydrophobicContact CE2-CD2 3.54Å; F623-W647 AromaticContact CE2-CE3 3.49Å; F623-W647 HydrophobicContact CE2-CE3 3.49Å; F623-W647 VanDerWaalsContact CE2-CE3 3.49Å; F623-W647 AromaticContact CE2-CG 3.88Å; F623-W647 HydrophobicContact CE2-CG 3.88Å; F623-W647 HydrophobicContact CE2-CZ3 4.06Å; F623-W647 HydrophobicContact CZ-CD2 4.33Å; F623-W647 AromaticContact CZ-CE3 3.88Å; F623-W647 HydrophobicContact CZ-CE3 3.88Å; F623-W647 HydrophobicContact CZ-CZ3 4.02Å; I626-W647 HydrophobicContact CD1-CB 4.29Å; I626-W647 HydrophobicContact CD1-CG 4.12Å; I626-W647 VanDerWaalsContact CG1-CD1 3.49Å; I626-W647 HydrophobicContact CG1-CG 4.4Å; N643-W647 VanDerWaalsContact O-CB 3.27Å; N643-W647 WeakPolarHBondContact O-CB 3.4Å; N643-W647 PolarHBondContact O-N 3.18Å; W647-Q649 VanDerWaalsContact C-N 3.34Å; W647-Q649 PolarHBondContact O-N 3.26Å; W647-F650 AromaticContact CE3-CD1 3.77Å; W647-F650 HydrophobicContact CE3-CD1 3.77Å; W647-F650 HydrophobicContact CE3-CE1 4.3Å; W647-F650 AromaticContact CZ3-CD1 3.68Å; W647-F650 HydrophobicContact CZ3-CD1 3.68Å; W647-F650 AromaticContact CZ3-CE1 3.73Å; W647-F650 HydrophobicContact CZ3-CE1 3.73Å; W647-F650 PolarHBondContact O-N 2.83Å; W647-L651 HydrophobicContact CE3-CG 4.46Å; W647-L651 VanDerWaalsContact O-CB 3.3Å; W647-L651 WeakPolarHBondContact O-CB 3.44Å; W647-L651 WeakPolarHBondContact O-CG 3.2Å; W647-L651 PolarHBondContact O-N 2.88Å; W647-F679 HydrophobicContact CB-CE2 4.28Å; W647-F679 HydrophobicContact CB-CZ 3.88Å
648	G	93.1	Very high	87.3	Confident	3 Å²	3	57 Å²	57	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-58.4	-44.2	177	0	0	0	0	0	112.7	Q644 R645 Q652	Q644-G648 PolarHBondContact O-N 3.11Å; R645-G648 PolarHBondContact O-N 2.88Å; G648-Q652 WeakPolarHBondContact O-CB 3.43Å; G648-Q652 PolarHBondContact O-N 2.75Å
649	Q	92.5	Very high	88.5	Confident	94 Å²	94	55.4 Å²	55.4	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-68.6	-44.6	175.8	-69.3	-178.7	14.9	0	0	112.2	R645 D646 W647 Q652 R653	R645-Q649 WeakPolarHBondContact O-CG 3.4Å; R645-Q649 PolarHBondContact O-N 2.87Å; D646-Q649 PolarHBondContact O-N 3.37Å; W647-Q649 VanDerWaalsContact C-N 3.34Å; W647-Q649 PolarHBondContact O-N 3.26Å; Q649-Q652 PolarHBondContact O-N 2.85Å; Q649-R653 VanDerWaalsContact O-CG 3.29Å; Q649-R653 WeakPolarHBondContact O-CG 3.22Å; Q649-R653 PolarHBondContact O-N 2.91Å
650	F	92.7	Very high	89.4	Confident	29 Å²	29	51.9 Å²	51.9	13%	0.127	25%	0.253	C	S	.	.	H	α-helix	trans	-57.9	-51.6	178	175.9	-94.3	0	0	0	110.9	F572 V582 D646 W647 R653 H654	F572-F650 HydrophobicContact CB-CD2 4.06Å; F572-F650 HydrophobicContact CB-CE2 3.93Å; F572-F650 HydrophobicContact CD1-CB 4.1Å; F572-F650 HydrophobicContact CD1-CD1 4.31Å; F572-F650 AromaticContact CD1-CD2 3.95Å; F572-F650 HydrophobicContact CD1-CD2 3.95Å; F572-F650 HydrophobicContact CD1-CE2 4.45Å; F572-F650 AromaticContact CD1-CG 3.87Å; F572-F650 HydrophobicContact CD1-CG 3.87Å; F572-F650 HydrophobicContact CE1-CB 4.31Å; F572-F650 HydrophobicContact CG-CD2 4.29Å; V582-F650 HydrophobicContact CB-CE1 3.95Å; V582-F650 HydrophobicContact CB-CZ 4.17Å; V582-F650 HydrophobicContact CG1-CE1 3.59Å; V582-F650 HydrophobicContact CG1-CZ 3.75Å; V582-F650 HydrophobicContact CG2-CE1 4.1Å; D646-F650 WeakPolarHBondContact O-CB 3.47Å; D646-F650 PolarHBondContact O-N 2.71Å; W647-F650 AromaticContact CE3-CD1 3.77Å; W647-F650 HydrophobicContact CE3-CD1 3.77Å; W647-F650 HydrophobicContact CE3-CE1 4.3Å; W647-F650 AromaticContact CZ3-CD1 3.68Å; W647-F650 HydrophobicContact CZ3-CD1 3.68Å; W647-F650 AromaticContact CZ3-CE1 3.73Å; W647-F650 HydrophobicContact CZ3-CE1 3.73Å; W647-F650 PolarHBondContact O-N 2.83Å; F650-R653 PolarHBondContact O-N 3.24Å; F650-H654 AromaticContact CD2-CE1 3.45Å; F650-H654 VanDerWaalsContact CD2-CE1 3.45Å; F650-H654 WeakPolarHBondContact CD2-CE1 3.3Å; F650-H654 AromaticContact CD2-ND1 3.78Å; F650-H654 AromaticContact CE2-CE1 3.12Å; F650-H654 WeakPolarHBondContact CE2-CE1 3.36Å; F650-H654 AromaticContact CE2-ND1 3.74Å; F650-H654 AromaticContact CE2-NE2 3.84Å; F650-H654 AromaticContact CG-ND1 3.94Å; F650-H654 AromaticContact CZ-CE1 3.51Å; F650-H654 AromaticContact CZ-ND1 3.84Å; F650-H654 AromaticContact CZ-NE2 3.97Å; F650-H654 PolarHBondContact O-N 3.48Å; F650-H654 VanDerWaalsContact O-N 3.12Å; F650-H654 PolarHBondContact O-ND1 2.88Å
651	L	94.9	Very high	90	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.5	-47.6	177.1	-69.2	172.8	0	0	0	111.2	L586 I621 F623 W647 R653 H654 L655 F679 F681	L586-L651 HydrophobicContact CD1-CD2 3.73Å; I621-L651 HydrophobicContact CB-CD1 4.47Å; I621-L651 HydrophobicContact CD1-CD1 4.12Å; I621-L651 HydrophobicContact CD1-CD2 4.02Å; I621-L651 HydrophobicContact CG2-CD1 4.14Å; F623-L651 HydrophobicContact CE2-CD1 3.96Å; F623-L651 HydrophobicContact CZ-CD1 4.08Å; F623-L651 HydrophobicContact CZ-CD2 4.25Å; W647-L651 HydrophobicContact CE3-CG 4.46Å; W647-L651 VanDerWaalsContact O-CB 3.3Å; W647-L651 WeakPolarHBondContact O-CB 3.44Å; W647-L651 WeakPolarHBondContact O-CG 3.2Å; W647-L651 PolarHBondContact O-N 2.88Å; L651-R653 VanDerWaalsContact C-N 3.29Å; L651-R653 PolarHBondContact O-N 2.94Å; L651-H654 PolarHBondContact O-N 3.17Å; L651-L655 WeakPolarHBondContact O-CB 3.49Å; L651-L655 VanDerWaalsContact O-CG 3.25Å; L651-L655 WeakPolarHBondContact O-CG 3.11Å; L651-L655 PolarHBondContact O-N 2.81Å; L651-F679 HydrophobicContact CD1-CD2 3.94Å; L651-F679 HydrophobicContact CD1-CE2 4.31Å; L651-F679 HydrophobicContact CD1-CG 4.15Å; L651-F681 HydrophobicContact CB-CE1 4.45Å; L651-F681 HydrophobicContact CB-CE2 3.92Å; L651-F681 HydrophobicContact CB-CZ 3.57Å; L651-F681 HydrophobicContact CD1-CE2 4.09Å; L651-F681 HydrophobicContact CD1-CZ 4.25Å
652	Q	94.8	Very high	90.1	Very high	68 Å²	68	63 Å²	63	32%	0.318	30%	0.296	S	S	.	.	H	α-helix	trans	-58.1	-41.8	179.5	-165.6	171.1	-73.7	0	0	112.3	G648 Q649 N656 F681	G648-Q652 WeakPolarHBondContact O-CB 3.43Å; G648-Q652 PolarHBondContact O-N 2.75Å; Q649-Q652 PolarHBondContact O-N 2.85Å; Q652-N656 WeakPolarHBondContact O-CB 3.36Å; Q652-N656 PolarHBondContact O-N 2.66Å; Q652-N656 PolarHBondContact O-ND2 2.99Å; Q652-F681 HydrophobicContact CB-CD1 4.41Å; Q652-F681 HydrophobicContact CB-CE1 3.79Å; Q652-F681 HydrophobicContact CG-CD1 4.47Å; Q652-F681 HydrophobicContact CG-CE1 4.29Å
653	R	93.3	Very high	90.2	Very high	155 Å²	155	61.2 Å²	61.2	59%	0.585	28%	0.28	S	S	*	.	H	α-helix	trans	-62.8	-47.2	177.9	-71.4	173.8	-168.3	164.2	7.2	111.2	Q649 F650 L651 N656	Q649-R653 VanDerWaalsContact O-CG 3.29Å; Q649-R653 WeakPolarHBondContact O-CG 3.22Å; Q649-R653 PolarHBondContact O-N 2.91Å; F650-R653 PolarHBondContact O-N 3.24Å; L651-R653 VanDerWaalsContact C-N 3.29Å; L651-R653 PolarHBondContact O-N 2.94Å; R653-N656 PolarHBondContact O-N 3.4Å
654	H	93.2	Very high	90.5	Very high	47 Å²	47	61.6 Å²	61.6	22%	0.218	28%	0.283	C	S	.	.	H	α-helix	trans	-72.5	-36.6	-176.9	-70	82	0	0	0	113.2	V582 T583 L587 F650 L651 N656 R657	V582-H654 HydrophobicContact CG1-CB 3.88Å; T583-H654 HydrophobicContact CG2-CB 4.05Å; L587-H654 WeakPolarHBondContact CD1-O 3.01Å; F650-H654 AromaticContact CD2-CE1 3.45Å; F650-H654 VanDerWaalsContact CD2-CE1 3.45Å; F650-H654 WeakPolarHBondContact CD2-CE1 3.3Å; F650-H654 AromaticContact CD2-ND1 3.78Å; F650-H654 AromaticContact CE2-CE1 3.12Å; F650-H654 WeakPolarHBondContact CE2-CE1 3.36Å; F650-H654 AromaticContact CE2-ND1 3.74Å; F650-H654 AromaticContact CE2-NE2 3.84Å; F650-H654 AromaticContact CG-ND1 3.94Å; F650-H654 AromaticContact CZ-CE1 3.51Å; F650-H654 AromaticContact CZ-ND1 3.84Å; F650-H654 AromaticContact CZ-NE2 3.97Å; F650-H654 PolarHBondContact O-N 3.48Å; F650-H654 VanDerWaalsContact O-N 3.12Å; F650-H654 PolarHBondContact O-ND1 2.88Å; L651-H654 PolarHBondContact O-N 3.17Å; H654-N656 PolarHBondContact O-N 3.2Å; H654-R657 WeakPolarHBondContact O-CB 3.26Å; H654-R657 PolarHBondContact O-N 3.09Å; H654-R657 VanDerWaalsContact O-N 3.14Å
655	L	95	Very high	90.8	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-62.2	-26.5	174	-69.7	178.4	0	0	0	112.3	L586 L587 F619 I621 L651 Y665 F681	L586-L655 HydrophobicContact CB-CD2 4.05Å; L586-L655 HydrophobicContact CD1-CD2 4.02Å; L586-L655 HydrophobicContact CG-CD2 4.47Å; L587-L655 HydrophobicContact CD2-CD2 4.27Å; F619-L655 HydrophobicContact CB-CD1 4.09Å; F619-L655 HydrophobicContact CD1-CD2 3.63Å; F619-L655 HydrophobicContact CD2-CD1 4.15Å; F619-L655 HydrophobicContact CD2-CD2 3.89Å; F619-L655 HydrophobicContact CE1-CD2 3.6Å; F619-L655 HydrophobicContact CE2-CD2 3.81Å; F619-L655 HydrophobicContact CG-CD1 4.03Å; F619-L655 HydrophobicContact CG-CD2 3.8Å; F619-L655 HydrophobicContact CZ-CD2 3.7Å; I621-L655 HydrophobicContact CD1-CD1 4.33Å; L651-L655 WeakPolarHBondContact O-CB 3.49Å; L651-L655 VanDerWaalsContact O-CG 3.25Å; L651-L655 WeakPolarHBondContact O-CG 3.11Å; L651-L655 PolarHBondContact O-N 2.81Å; L655-Y665 HydrophobicContact CB-CD2 4.02Å; L655-Y665 HydrophobicContact CB-CG 4.4Å; L655-Y665 WeakPolarHBondContact O-CD2 3.45Å; L655-Y665 WeakPolarHBondContact O-CE2 3.41Å; L655-F681 HydrophobicContact CD1-CB 3.91Å; L655-F681 HydrophobicContact CD1-CD1 3.99Å; L655-F681 HydrophobicContact CD1-CD2 3.54Å; L655-F681 HydrophobicContact CD1-CE1 4.41Å; L655-F681 HydrophobicContact CD1-CE2 4Å; L655-F681 HydrophobicContact CD1-CG 3.53Å; L655-F681 HydrophobicContact CD1-CZ 4.43Å
656	N	94.8	Very high	91	Very high	35 Å²	35	55.3 Å²	55.3	19%	0.187	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	11.8	178.4	-73	-51.9	0	0	0	114	Q652 R653 H654 D658 T659 S664 Y665	Q652-N656 WeakPolarHBondContact O-CB 3.36Å; Q652-N656 PolarHBondContact O-N 2.66Å; Q652-N656 PolarHBondContact O-ND2 2.99Å; R653-N656 PolarHBondContact O-N 3.4Å; H654-N656 PolarHBondContact O-N 3.2Å; N656-D658 VanDerWaalsContact C-N 3.28Å; N656-D658 PolarHBondContact O-N 2.79Å; N656-T659 VanDerWaalsContact CA-OG1 3.23Å; N656-T659 WeakPolarHBondContact CA-OG1 3.34Å; N656-T659 WeakPolarHBondContact CB-OG1 3.49Å; N656-T659 PolarHBondContact O-N 2.91Å; N656-T659 PolarHBondContact O-OG1 3.02Å; N656-T659 VanDerWaalsContact O-OG1 3.11Å; N656-T659 PolarHBondContact OD1-OG1 3.32Å; N656-S664 VanDerWaalsContact OD1-CA 3.24Å; N656-S664 WeakPolarHBondContact OD1-CA 3.42Å; N656-S664 VanDerWaalsContact OD1-CB 3.26Å; N656-S664 WeakPolarHBondContact OD1-CB 3.25Å; N656-Y665 PolarHBondContact ND2-O 2.95Å; N656-Y665 VanDerWaalsContact ND2-O 3.12Å; N656-Y665 PolarHBondContact OD1-N 2.68Å
657	R	90.4	Very high	91.3	Very high	79 Å²	79	54.3 Å²	54.3	30%	0.298	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-46.2	178.7	-176.8	-168.3	68.5	-167.2	-0.2	112.4	T583 L587 D588 H654 F1084	T583-R657 PolarHBondContact OG1-NH1 3.27Å; L587-R657 HydrophobicContact CD1-CB 3.93Å; D588-R657 IonicContact OD1-CZ 2.77Å; D588-R657 IonicContact OD1-NH1 3.87Å; D588-R657 IonicContact OD1-NH2 2.82Å; D588-R657 PolarHBondContact OD1-NH2 3.45Å; D588-R657 IonicContact OD2-CZ 3.21Å; D588-R657 IonicContact OD2-NH1 3.39Å; D588-R657 PolarHBondContact OD2-NH1 3.26Å; D588-R657 IonicContact OD2-NH2 2.71Å; D588-R657 PolarHBondContact OD2-NH2 3.5Å; H654-R657 WeakPolarHBondContact O-CB 3.26Å; H654-R657 PolarHBondContact O-N 3.09Å; H654-R657 VanDerWaalsContact O-N 3.14Å; R657-F1084 HydrophobicContact CG-CE2 4.46Å
658	D	85.9	Confident	91.4	Very high	101 Å²	101	54.2 Å²	54.2	54%	0.54	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	15.3	-172.2	-52.5	-35.3	0	0	0	113	N656	N656-D658 VanDerWaalsContact C-N 3.28Å; N656-D658 PolarHBondContact O-N 2.79Å
659	T	87.7	Confident	91.4	Very high	23 Å²	23	55.2 Å²	55.2	14%	0.141	26%	0.261	C	S	.	.			trans	-102.4	146.4	-176.1	61.4	0	0	0	0	112.6	N656 Y665	N656-T659 VanDerWaalsContact CA-OG1 3.23Å; N656-T659 WeakPolarHBondContact CA-OG1 3.34Å; N656-T659 WeakPolarHBondContact CB-OG1 3.49Å; N656-T659 PolarHBondContact O-N 2.91Å; N656-T659 PolarHBondContact O-OG1 3.02Å; N656-T659 VanDerWaalsContact O-OG1 3.11Å; N656-T659 PolarHBondContact OD1-OG1 3.32Å; T659-Y665 HydrophobicContact CG2-CD2 3.83Å; T659-Y665 HydrophobicContact CG2-CE2 3.63Å
660	D	85.6	Confident	91.6	Very high	52 Å²	52	52.3 Å²	52.3	28%	0.278	25%	0.251	S	S	.	.			trans	-73.8	150.1	163.3	-69.5	-48.6	0	0	0	111.2	Q662 D663 S664	D660-Q662 PolarHBondContact O-N 3.22Å; D660-Q662 VanDerWaalsContact O-N 3.14Å; D660-D663 CarbonylContact O-C 3.57Å; D660-D663 PolarHBondContact O-N 2.89Å; D660-S664 PolarHBondContact O-N 2.75Å; D660-S664 VanDerWaalsContact O-N 3.13Å
661	E	82.8	Confident	91.6	Very high	171 Å²	171	51.6 Å²	51.6	80%	0.799	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-57.7	-32.9	-177.3	-169.7	-179.7	174.5	0	0	112.8	D663 S664	E661-D663 VanDerWaalsContact C-N 3.33Å; E661-D663 PolarHBondContact O-N 3.33Å; E661-S664 PolarHBondContact O-OG 3.18Å
662	Q	82.7	Confident	91.5	Very high	163 Å²	163	52.1 Å²	52.1	76%	0.762	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-73.5	-21	179.2	-60.7	-169.8	25.1	0	0	113.7	D660	D660-Q662 PolarHBondContact O-N 3.22Å; D660-Q662 VanDerWaalsContact O-N 3.14Å
663	D	88	Confident	91.3	Very high	10 Å²	10	48.9 Å²	48.9	5%	0.053	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-125.3	31.3	179.8	-156.6	27.1	0	0	0	112.9	D660 E661 R683 R685 L1070	D660-D663 CarbonylContact O-C 3.57Å; D660-D663 PolarHBondContact O-N 2.89Å; E661-D663 VanDerWaalsContact C-N 3.33Å; E661-D663 PolarHBondContact O-N 3.33Å; D663-R683 VanDerWaalsContact CG-NH1 3.27Å; D663-R683 PolarHBondContact O-NH1 3.31Å; D663-R683 IonicContact OD1-NH1 2.91Å; D663-R683 IonicContact OD2-CZ 3.92Å; D663-R683 IonicContact OD2-NE 3.39Å; D663-R683 IonicContact OD2-NH1 2.73Å; D663-R683 PolarHBondContact OD2-NH1 3.33Å; D663-R685 WeakPolarHBondContact OD1-CD 3.2Å; D663-R685 VanDerWaalsContact OD1-CG 3.31Å; D663-R685 WeakPolarHBondContact OD1-CG 3.29Å; D663-R685 IonicContact OD1-NE 3.27Å; D663-R685 PolarHBondContact OD1-NE 3.23Å; D663-R685 IonicContact OD2-NE 3.31Å; D663-R685 PolarHBondContact OD2-NE 3.27Å; D663-L1070 HydrophobicContact CB-CD1 3.95Å
664	S	92.8	Very high	91.1	Very high	20 Å²	20	41.6 Å²	41.6	14%	0.14	21%	0.209	C	C	.	.			trans	-66.2	155.7	177.3	48	0	0	0	0	112.4	N656 D660 E661 K684	N656-S664 VanDerWaalsContact OD1-CA 3.24Å; N656-S664 WeakPolarHBondContact OD1-CA 3.42Å; N656-S664 VanDerWaalsContact OD1-CB 3.26Å; N656-S664 WeakPolarHBondContact OD1-CB 3.25Å; D660-S664 PolarHBondContact O-N 2.75Å; D660-S664 VanDerWaalsContact O-N 3.13Å; E661-S664 PolarHBondContact O-OG 3.18Å; S664-K684 VanDerWaalsContact O-CB 3.32Å; S664-K684 WeakPolarHBondContact O-CB 3.16Å; S664-K684 PolarHBondContact O-N 3.31Å
665	Y	94.9	Very high	90.9	Very high	6 Å²	6	39.4 Å²	39.4	2%	0.024	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.3	168.1	-64.3	-81	0	0	0	111	M616 F619 L655 N656 T659 R683	M616-Y665 WeakPolarHBondContact O-CE1 3.42Å; M616-Y665 VanDerWaalsContact O-CZ 3.31Å; M616-Y665 PolarHBondContact O-OH 3.21Å; F619-Y665 HydrophobicContact CD2-CD1 4.02Å; F619-Y665 AromaticContact CD2-CE1 3.65Å; F619-Y665 HydrophobicContact CD2-CE1 3.65Å; F619-Y665 AromaticContact CD2-CZ 3.97Å; F619-Y665 HydrophobicContact CE2-CD1 4.37Å; F619-Y665 AromaticContact CE2-CE1 3.68Å; F619-Y665 HydrophobicContact CE2-CE1 3.68Å; F619-Y665 HydrophobicContact CE2-CE2 4.04Å; F619-Y665 AromaticContact CE2-CZ 3.49Å; F619-Y665 VanDerWaalsContact CE2-CZ 3.49Å; L655-Y665 HydrophobicContact CB-CD2 4.02Å; L655-Y665 HydrophobicContact CB-CG 4.4Å; L655-Y665 WeakPolarHBondContact O-CD2 3.45Å; L655-Y665 WeakPolarHBondContact O-CE2 3.41Å; N656-Y665 PolarHBondContact ND2-O 2.95Å; N656-Y665 VanDerWaalsContact ND2-O 3.12Å; N656-Y665 PolarHBondContact OD1-N 2.68Å; T659-Y665 HydrophobicContact CG2-CD2 3.83Å; T659-Y665 HydrophobicContact CG2-CE2 3.63Å; Y665-R683 HydrophobicContact CD1-CG 3.82Å; Y665-R683 HydrophobicContact CE1-CG 3.46Å; Y665-R683 VanDerWaalsContact CE1-CG 3.46Å; Y665-R683 VanDerWaalsContact CZ-NH2 3.27Å; Y665-R683 PolarHBondContact OH-NE 2.96Å; Y665-R683 PolarHBondContact OH-NH2 3.28Å
666	L	94.2	Very high	90.9	Very high	35 Å²	35	39.4 Å²	39.4	18%	0.183	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.1	174.2	-58.9	179.2	0	0	0	109.6	I305 I668 F681 V682 K684 A687	I305-L666 HydrophobicContact CD1-CD1 4.22Å; I305-L666 HydrophobicContact CG1-CD1 4.39Å; L666-I668 HydrophobicContact CB-CD1 4.26Å; L666-I668 PolarHBondContact O-N 3.21Å; L666-I668 VanDerWaalsContact O-N 3.1Å; L666-F681 VanDerWaalsContact O-CA 3.29Å; L666-F681 WeakPolarHBondContact O-CA 3.45Å; L666-V682 PolarHBondContact N-O 3.14Å; L666-V682 PolarHBondContact O-N 3.25Å; L666-V682 VanDerWaalsContact O-N 3.09Å; L666-K684 HydrophobicContact CD1-CB 4.1Å; L666-K684 HydrophobicContact CD1-CG 3.98Å; L666-K684 HydrophobicContact CG-CB 4.26Å; L666-A687 HydrophobicContact CD1-CB 4.31Å
667	L	95.2	Very high	91	Very high	44 Å²	44	37.8 Å²	37.8	23%	0.23	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	108.6	164.7	179.9	58.9	0	0	0	109	P302 T669 F679 F681	P302-L667 VanDerWaalsContact CG-O 3.28Å; P302-L667 WeakPolarHBondContact CG-O 3.22Å; L667-T669 WeakPolarHBondContact CD1-O 3.35Å; L667-F679 HydrophobicContact CD1-CB 4.32Å; L667-F679 HydrophobicContact CD1-CD1 4.09Å; L667-F681 HydrophobicContact CB-CD1 3.87Å; L667-F681 HydrophobicContact CB-CE1 3.64Å; L667-F681 HydrophobicContact CD1-CD1 4.14Å; L667-F681 HydrophobicContact CD1-CE1 3.73Å; L667-F681 HydrophobicContact CD1-CE2 4.27Å; L667-F681 HydrophobicContact CD1-CZ 3.8Å; L667-F681 HydrophobicContact CG-CE1 4.17Å
668	I	95.1	Very high	91.3	Very high	3 Å²	3	34 Å²	34	2%	0.015	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	-50.4	-178	-55.8	-57.6	0	0	0	110.3	P302 I305 L666 L680 V682 A687 L690 I693	P302-I668 VanDerWaalsContact CD-O 3.28Å; P302-I668 WeakPolarHBondContact CD-O 3.43Å; I305-I668 HydrophobicContact CD1-CD1 3.36Å; L666-I668 HydrophobicContact CB-CD1 4.26Å; L666-I668 PolarHBondContact O-N 3.21Å; L666-I668 VanDerWaalsContact O-N 3.1Å; I668-L680 HydrophobicContact CB-CD2 4.21Å; I668-L680 HydrophobicContact CB-CG 4.35Å; I668-L680 HydrophobicContact CG2-CD2 4.33Å; I668-L680 PolarHBondContact N-O 3.39Å; I668-V682 HydrophobicContact CD1-CB 3.91Å; I668-V682 HydrophobicContact CD1-CG2 4.36Å; I668-V682 HydrophobicContact CG1-CB 3.69Å; I668-V682 HydrophobicContact CG1-CG2 3.63Å; I668-A687 HydrophobicContact CD1-CB 3.88Å; I668-L690 HydrophobicContact CD1-CD1 4.06Å; I668-L690 HydrophobicContact CG1-CD1 4.03Å; I668-L690 HydrophobicContact CG2-CD1 4Å; I668-I693 HydrophobicContact CG2-CD1 3.64Å; I668-I693 HydrophobicContact CG2-CG1 4.48Å; I668-I693 HydrophobicContact CG2-CG2 4.46Å
669	T	94	Very high	91.9	Very high	24 Å²	24	29.2 Å²	29.2	15%	0.147	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	166.4	176.2	-163.7	0	0	0	0	110	L667 L680 I693 T695 I714	L667-T669 WeakPolarHBondContact CD1-O 3.35Å; T669-L680 PolarHBondContact O-N 2.76Å; T669-I693 HydrophobicContact CG2-CG2 3.98Å; T669-T695 HydrophobicContact CG2-CG2 3.84Å; T669-I714 HydrophobicContact CG2-CD1 3.91Å; T669-I714 HydrophobicContact CG2-CG1 4.25Å; T669-I714 HydrophobicContact CG2-CG2 3.58Å
670	S	94.7	Very high	92.4	Very high	32 Å²	32	28.2 Å²	28.2	22%	0.224	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	155.4	171.8	57.1	0	0	0	0	110.4	Q644 L678	Q644-S670 PolarHBondContact NE2-OG 3.31Å; S670-L678 CarbonylContact C-O 3.51Å; S670-L678 WeakPolarHBondContact CA-O 3.48Å; S670-L678 VanDerWaalsContact CB-O 3.29Å; S670-L678 WeakPolarHBondContact CB-O 3.47Å
671	V	93.1	Very high	93	Very high	15 Å²	15	25.7 Å²	25.7	9%	0.091	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134.9	-178.2	53	0	0	0	0	109.6	C677 L678 T695 V712 I714	V671-C677 CarbonylContact O-C 3.55Å; V671-C677 VanDerWaalsContact O-CA 3.28Å; V671-C677 WeakPolarHBondContact O-CA 3.16Å; V671-L678 HydrophobicContact CG1-CB 4.07Å; V671-L678 PolarHBondContact N-O 3.19Å; V671-L678 PolarHBondContact O-N 3.13Å; V671-T695 HydrophobicContact CB-CG2 4.19Å; V671-T695 HydrophobicContact CG1-CG2 4.43Å; V671-V712 HydrophobicContact CB-CB 4.44Å; V671-V712 HydrophobicContact CG1-CB 3.69Å; V671-V712 HydrophobicContact CG1-CG1 4.48Å; V671-V712 HydrophobicContact CG1-CG2 3.97Å; V671-V712 HydrophobicContact CG2-CB 4.02Å; V671-V712 HydrophobicContact CG2-CG1 4.06Å; V671-I714 HydrophobicContact CG1-CD1 4.08Å; V671-I714 HydrophobicContact CG1-CG1 3.58Å
672	Q	92.4	Very high	93.6	Very high	10 Å²	10	17.6 Å²	17.6	5%	0.047	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135	-178.3	-176.3	177.8	2.7	0	0	111	I626 S638 S641 V674 V676 C677	I626-Q672 HydrophobicContact CG2-CG 4.5Å; S638-Q672 WeakPolarHBondContact CB-O 3.45Å; S641-Q672 PolarHBondContact OG-NE2 2.98Å; S641-Q672 VanDerWaalsContact OG-NE2 3.11Å; S641-Q672 PolarHBondContact OG-OE1 2.77Å; Q672-V674 WeakPolarHBondContact CG-O 2.93Å; Q672-V674 PolarHBondContact NE2-O 2.71Å; Q672-V676 CarbonylContact C-O 3.59Å; Q672-V676 VanDerWaalsContact CA-O 3.29Å; Q672-V676 WeakPolarHBondContact CA-O 3.22Å; Q672-C677 HydrophobicContact CB-CB 4.41Å; Q672-C677 HydrophobicContact CG-CB 4.34Å
673	L	91.4	Very high	94.1	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	94.7	168.4	179.5	68.2	0	0	0	109.2	G675 V676 V698 K699 V712	L673-G675 PolarHBondContact O-N 2.87Å; L673-V676 PolarHBondContact N-O 3.45Å; L673-V676 PolarHBondContact O-N 2.69Å; L673-V698 WeakPolarHBondContact CD2-O 3.21Å; L673-K699 HydrophobicContact CD1-CG 3.81Å; L673-K699 HydrophobicContact CD2-CG 4.29Å; L673-V712 HydrophobicContact CB-CG1 3.48Å; L673-V712 VanDerWaalsContact CB-CG1 3.48Å
674	V	89.1	Confident	94.3	Very high	2 Å²	2	15 Å²	15	1%	0.012	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	-103.8	-175.2	-170	0	0	0	0	110.1	V627 L629 I634 Q672 G707	V627-V674 WeakPolarHBondContact CG2-O 3.43Å; L629-V674 HydrophobicContact CD2-CG1 3.99Å; I634-V674 HydrophobicContact CG1-CG1 4.17Å; Q672-V674 WeakPolarHBondContact CG-O 2.93Å; Q672-V674 PolarHBondContact NE2-O 2.71Å; V674-G707 WeakPolarHBondContact CB-O 3.28Å; V674-G707 WeakPolarHBondContact CG2-O 3.36Å
675	G	90.2	Very high	94.1	Very high	2 Å²	2	16 Å²	16	2%	0.021	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-20.3	179.2	0	0	0	0	0	114.9	E624 E625 I626 L673	E624-G675 CarbonylContact C-O 3.6Å; E624-G675 WeakPolarHBondContact CA-O 3.39Å; E625-G675 PolarHBondContact N-O 3.47Å; I626-G675 WeakPolarHBondContact CG2-O 3.23Å; I626-G675 PolarHBondContact N-O 2.83Å; L673-G675 PolarHBondContact O-N 2.87Å
676	V	94.5	Very high	94	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.4	-176.6	-168.8	0	0	0	0	109.5	F623 Q672 L673 V712 C727 H729	F623-V676 CarbonylContact O-C 3.56Å; F623-V676 VanDerWaalsContact O-CA 3.31Å; F623-V676 WeakPolarHBondContact O-CA 3.37Å; Q672-V676 CarbonylContact C-O 3.59Å; Q672-V676 VanDerWaalsContact CA-O 3.29Å; Q672-V676 WeakPolarHBondContact CA-O 3.22Å; L673-V676 PolarHBondContact N-O 3.45Å; L673-V676 PolarHBondContact O-N 2.69Å; V676-V712 HydrophobicContact CB-CG1 4.46Å; V676-V712 HydrophobicContact CG1-CG1 4.36Å; V676-V712 HydrophobicContact CG1-CG2 3.9Å; V676-C727 HydrophobicContact CG1-CB 4.42Å; V676-C727 VanDerWaalsContact CG1-SG 3.54Å; V676-H729 HydrophobicContact CG2-CB 3.56Å
677	C	95.5	Very high	93.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	137.4	179.1	-169.8	0	0	0	0	111.1	G622 F623 I626 V671 Q672 F679	G622-C677 CarbonylContact C-O 3.47Å; G622-C677 WeakPolarHBondContact CA-O 3.22Å; F623-C677 PolarHBondContact N-O 2.72Å; F623-C677 PolarHBondContact O-N 3.03Å; I626-C677 HydrophobicContact CB-CB 4.49Å; I626-C677 HydrophobicContact CD1-CB 3.82Å; I626-C677 HydrophobicContact CG2-CB 4.13Å; V671-C677 CarbonylContact O-C 3.55Å; V671-C677 VanDerWaalsContact O-CA 3.28Å; V671-C677 WeakPolarHBondContact O-CA 3.16Å; Q672-C677 HydrophobicContact CB-CB 4.41Å; Q672-C677 HydrophobicContact CG-CB 4.34Å; C677-F679 HydrophobicContact CB-CE2 4.23Å; C677-F679 WeakPolarHBondContact SG-CE2 3.32Å; C677-F679 WeakPolarHBondContact SG-CZ 3.2Å
678	L	98.2	Very high	93.3	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.4	176.5	-179.7	59.1	0	0	0	109.5	I621 S670 V671 V712 I714 F725 C727	I621-L678 WeakPolarHBondContact O-CA 3.14Å; S670-L678 CarbonylContact C-O 3.51Å; S670-L678 WeakPolarHBondContact CA-O 3.48Å; S670-L678 VanDerWaalsContact CB-O 3.29Å; S670-L678 WeakPolarHBondContact CB-O 3.47Å; V671-L678 HydrophobicContact CG1-CB 4.07Å; V671-L678 PolarHBondContact N-O 3.19Å; V671-L678 PolarHBondContact O-N 3.13Å; L678-V712 HydrophobicContact CB-CG2 3.54Å; L678-I714 HydrophobicContact CB-CD1 4.23Å; L678-I714 HydrophobicContact CD2-CB 4.18Å; L678-I714 HydrophobicContact CD2-CD1 4.14Å; L678-I714 HydrophobicContact CD2-CG1 3.86Å; L678-I714 HydrophobicContact CG-CD1 3.78Å; L678-I714 HydrophobicContact CG-CG1 4.07Å; L678-I714 WeakPolarHBondContact O-CD1 3.38Å; L678-F725 HydrophobicContact CD2-CB 3.9Å; L678-F725 WeakPolarHBondContact CD2-O 3.35Å; L678-C727 HydrophobicContact CB-CB 4.1Å; L678-C727 HydrophobicContact CD1-CB 4.13Å; L678-C727 HydrophobicContact CD2-CB 4.32Å; L678-C727 HydrophobicContact CG-CB 4.41Å
679	F	98	Very high	93	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.2	176.6	-60.9	-89.7	0	0	0	110.4	A620 I621 F623 I626 Q644 W647 L651 L667 C677 F681	A620-F679 WeakPolarHBondContact CA-O 3.46Å; I621-F679 PolarHBondContact N-O 3.48Å; I621-F679 PolarHBondContact O-N 3.18Å; F623-F679 HydrophobicContact CD2-CD2 4.44Å; F623-F679 AromaticContact CD2-CE2 3.86Å; F623-F679 HydrophobicContact CD2-CE2 3.86Å; F623-F679 HydrophobicContact CE2-CE2 4.17Å; I626-F679 HydrophobicContact CD1-CE2 4.2Å; I626-F679 HydrophobicContact CD1-CZ 4.17Å; Q644-F679 HydrophobicContact CG-CE1 3.91Å; Q644-F679 HydrophobicContact CG-CZ 3.96Å; Q644-F679 VanDerWaalsContact O-CE1 3.29Å; Q644-F679 WeakPolarHBondContact O-CE1 3.5Å; Q644-F679 WeakPolarHBondContact O-CZ 3.34Å; W647-F679 HydrophobicContact CB-CE2 4.28Å; W647-F679 HydrophobicContact CB-CZ 3.88Å; L651-F679 HydrophobicContact CD1-CD2 3.94Å; L651-F679 HydrophobicContact CD1-CE2 4.31Å; L651-F679 HydrophobicContact CD1-CG 4.15Å; L667-F679 HydrophobicContact CD1-CB 4.32Å; L667-F679 HydrophobicContact CD1-CD1 4.09Å; C677-F679 HydrophobicContact CB-CE2 4.23Å; C677-F679 WeakPolarHBondContact SG-CE2 3.32Å; C677-F679 WeakPolarHBondContact SG-CZ 3.2Å; F679-F681 HydrophobicContact CB-CD2 4.27Å; F679-F681 HydrophobicContact CB-CE2 3.52Å; F679-F681 HydrophobicContact CB-CZ 4.15Å; F679-F681 HydrophobicContact CG-CE2 4.33Å
680	L	98.3	Very high	92.9	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	115.7	174.2	179.8	69.5	0	0	0	110.2	V618 F619 I668 T669 V682 I714 F716 F725	V618-L680 HydrophobicContact CG1-CD1 3.61Å; F619-L680 WeakPolarHBondContact O-CA 3.09Å; I668-L680 HydrophobicContact CB-CD2 4.21Å; I668-L680 HydrophobicContact CB-CG 4.35Å; I668-L680 HydrophobicContact CG2-CD2 4.33Å; I668-L680 PolarHBondContact N-O 3.39Å; T669-L680 PolarHBondContact O-N 2.76Å; L680-V682 HydrophobicContact CD1-CG2 4.35Å; L680-V682 HydrophobicContact CG-CG2 4.22Å; L680-I714 HydrophobicContact CB-CD1 3.87Å; L680-I714 HydrophobicContact CB-CG2 4.2Å; L680-I714 HydrophobicContact CD2-CG2 3.73Å; L680-F716 HydrophobicContact CD1-CE1 3.95Å; L680-F716 HydrophobicContact CD2-CD1 3.59Å; L680-F716 HydrophobicContact CD2-CE1 3.76Å; L680-F716 HydrophobicContact CG-CE1 4.49Å; L680-F725 HydrophobicContact CD1-CD2 4.25Å; L680-F725 HydrophobicContact CD1-CE2 4.13Å
681	F	97.9	Very high	92.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.1	171.6	-53.6	-96.8	0	0	0	110.3	V618 F619 I621 L651 Q652 L655 L666 L667 F679	V618-F681 CarbonylContact C-O 3.56Å; V618-F681 WeakPolarHBondContact CA-O 3.47Å; F619-F681 HydrophobicContact CB-CB 4.19Å; F619-F681 HydrophobicContact CB-CD2 4.31Å; F619-F681 PolarHBondContact N-O 3.35Å; F619-F681 PolarHBondContact O-N 2.85Å; I621-F681 HydrophobicContact CD1-CD2 4.36Å; I621-F681 HydrophobicContact CD1-CE2 4.19Å; L651-F681 HydrophobicContact CB-CE1 4.45Å; L651-F681 HydrophobicContact CB-CE2 3.92Å; L651-F681 HydrophobicContact CB-CZ 3.57Å; L651-F681 HydrophobicContact CD1-CE2 4.09Å; L651-F681 HydrophobicContact CD1-CZ 4.25Å; Q652-F681 HydrophobicContact CB-CD1 4.41Å; Q652-F681 HydrophobicContact CB-CE1 3.79Å; Q652-F681 HydrophobicContact CG-CD1 4.47Å; Q652-F681 HydrophobicContact CG-CE1 4.29Å; L655-F681 HydrophobicContact CD1-CB 3.91Å; L655-F681 HydrophobicContact CD1-CD1 3.99Å; L655-F681 HydrophobicContact CD1-CD2 3.54Å; L655-F681 HydrophobicContact CD1-CE1 4.41Å; L655-F681 HydrophobicContact CD1-CE2 4Å; L655-F681 HydrophobicContact CD1-CG 3.53Å; L655-F681 HydrophobicContact CD1-CZ 4.43Å; L666-F681 VanDerWaalsContact O-CA 3.29Å; L666-F681 WeakPolarHBondContact O-CA 3.45Å; L667-F681 HydrophobicContact CB-CD1 3.87Å; L667-F681 HydrophobicContact CB-CE1 3.64Å; L667-F681 HydrophobicContact CD1-CD1 4.14Å; L667-F681 HydrophobicContact CD1-CE1 3.73Å; L667-F681 HydrophobicContact CD1-CE2 4.27Å; L667-F681 HydrophobicContact CD1-CZ 3.8Å; L667-F681 HydrophobicContact CG-CE1 4.17Å; F679-F681 HydrophobicContact CB-CD2 4.27Å; F679-F681 HydrophobicContact CB-CE2 3.52Å; F679-F681 HydrophobicContact CB-CZ 4.15Å; F679-F681 HydrophobicContact CG-CE2 4.33Å
682	V	96.2	Very high	92.6	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.006	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145	178	179.5	0	0	0	0	108.8	V618 L666 I668 L680 L686 L690	V618-V682 HydrophobicContact CG1-CG2 4.16Å; V618-V682 HydrophobicContact CG2-CG1 4.4Å; V618-V682 HydrophobicContact CG2-CG2 4.09Å; L666-V682 PolarHBondContact N-O 3.14Å; L666-V682 PolarHBondContact O-N 3.25Å; L666-V682 VanDerWaalsContact O-N 3.09Å; I668-V682 HydrophobicContact CD1-CB 3.91Å; I668-V682 HydrophobicContact CD1-CG2 4.36Å; I668-V682 HydrophobicContact CG1-CB 3.69Å; I668-V682 HydrophobicContact CG1-CG2 3.63Å; L680-V682 HydrophobicContact CD1-CG2 4.35Å; L680-V682 HydrophobicContact CG-CG2 4.22Å; V682-L686 HydrophobicContact CG1-CB 3.69Å; V682-L690 HydrophobicContact CB-CD1 4.26Å; V682-L690 HydrophobicContact CG1-CD1 4.27Å; V682-L690 HydrophobicContact CG2-CD1 3.99Å
683	R	93.4	Very high	92.6	Very high	16 Å²	16	15.8 Å²	15.8	6%	0.06	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	139	173.4	-74.8	-170.4	170.8	-84.4	-19.2	111.5	M616 D617 D663 Y665 R685 L686 A687	M616-R683 WeakPolarHBondContact O-CD 3.38Å; M616-R683 PolarHBondContact O-NE 3.45Å; D617-R683 PolarHBondContact O-N 3Å; D663-R683 VanDerWaalsContact CG-NH1 3.27Å; D663-R683 PolarHBondContact O-NH1 3.31Å; D663-R683 IonicContact OD1-NH1 2.91Å; D663-R683 IonicContact OD2-CZ 3.92Å; D663-R683 IonicContact OD2-NE 3.39Å; D663-R683 IonicContact OD2-NH1 2.73Å; D663-R683 PolarHBondContact OD2-NH1 3.33Å; Y665-R683 HydrophobicContact CD1-CG 3.82Å; Y665-R683 HydrophobicContact CE1-CG 3.46Å; Y665-R683 VanDerWaalsContact CE1-CG 3.46Å; Y665-R683 VanDerWaalsContact CZ-NH2 3.27Å; Y665-R683 PolarHBondContact OH-NE 2.96Å; Y665-R683 PolarHBondContact OH-NH2 3.28Å; R683-R685 HydrophobicContact CB-CG 4.25Å; R683-R685 VanDerWaalsContact CD-NH2 3.3Å; R683-R685 PolarHBondContact O-N 3.46Å; R683-L686 PolarHBondContact O-N 3.38Å; R683-A687 PolarHBondContact O-N 2.92Å; R683-A687 VanDerWaalsContact O-N 3.09Å
684	K	90.9	Very high	92.7	Very high	102 Å²	102	16.6 Å²	16.6	44%	0.443	9%	0.088	S	C	.	.	H	α-helix	trans	-52.6	-39.8	-177	-176.8	172.3	179.6	-174.6	0	113.1	S664 L666 L686 A687	S664-K684 VanDerWaalsContact O-CB 3.32Å; S664-K684 WeakPolarHBondContact O-CB 3.16Å; S664-K684 PolarHBondContact O-N 3.31Å; L666-K684 HydrophobicContact CD1-CB 4.1Å; L666-K684 HydrophobicContact CD1-CG 3.98Å; L666-K684 HydrophobicContact CG-CB 4.26Å; K684-L686 VanDerWaalsContact C-N 3.29Å; K684-L686 PolarHBondContact O-N 2.89Å; K684-A687 PolarHBondContact O-N 2.89Å
685	R	89.8	Confident	92.9	Very high	42 Å²	42	19 Å²	19	16%	0.158	10%	0.103	C	C	.	.	H	α-helix	trans	-59.8	-34.3	177.1	65.1	179.2	160.3	82.7	-4.1	114	D617 D663 R683 V1066 N1068	D617-R685 IonicContact OD1-CZ 3.58Å; D617-R685 IonicContact OD1-NH1 2.79Å; D617-R685 PolarHBondContact OD1-NH1 3.49Å; D617-R685 IonicContact OD1-NH2 3.47Å; D617-R685 PolarHBondContact OD1-NH2 3.12Å; D663-R685 WeakPolarHBondContact OD1-CD 3.2Å; D663-R685 VanDerWaalsContact OD1-CG 3.31Å; D663-R685 WeakPolarHBondContact OD1-CG 3.29Å; D663-R685 IonicContact OD1-NE 3.27Å; D663-R685 PolarHBondContact OD1-NE 3.23Å; D663-R685 IonicContact OD2-NE 3.31Å; D663-R685 PolarHBondContact OD2-NE 3.27Å; R683-R685 HydrophobicContact CB-CG 4.25Å; R683-R685 VanDerWaalsContact CD-NH2 3.3Å; R683-R685 PolarHBondContact O-N 3.46Å; R685-V1066 PolarHBondContact NH1-O 2.73Å; R685-V1066 WeakPolarHBondContact O-CG1 3.5Å; R685-N1068 PolarHBondContact NE-O 3.31Å
686	L	91.3	Very high	93	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-88.5	-25.4	-179.2	-77.6	161.3	0	0	0	112.6	L557 D617 V682 R683 K684 G688 S689 L718 V1066 F1067	L557-L686 HydrophobicContact CD1-CD1 3.86Å; L557-L686 HydrophobicContact CD1-CD2 4.47Å; D617-L686 HydrophobicContact CB-CD1 3.58Å; V682-L686 HydrophobicContact CG1-CB 3.69Å; R683-L686 PolarHBondContact O-N 3.38Å; K684-L686 VanDerWaalsContact C-N 3.29Å; K684-L686 PolarHBondContact O-N 2.89Å; L686-G688 VanDerWaalsContact C-N 3.29Å; L686-G688 PolarHBondContact O-N 3.43Å; L686-S689 WeakPolarHBondContact O-CB 3.21Å; L686-S689 PolarHBondContact O-N 2.98Å; L686-L718 HydrophobicContact CD2-CD1 4.48Å; L686-L718 HydrophobicContact CD2-CD2 4.11Å; L686-V1066 HydrophobicContact CD2-CG1 3.6Å; L686-V1066 HydrophobicContact CG-CG1 3.99Å; L686-F1067 HydrophobicContact CD2-CD1 4.19Å; L686-F1067 HydrophobicContact CD2-CE1 4.2Å
687	A	90.2	Very high	93	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-58.2	-39	-169.5	0	0	0	0	0	113	I305 L666 I668 R683 K684 S689 L690	I305-A687 HydrophobicContact CD1-CB 3.7Å; I305-A687 HydrophobicContact CG1-CB 3.71Å; I305-A687 WeakPolarHBondContact CG2-O 3.39Å; L666-A687 HydrophobicContact CD1-CB 4.31Å; I668-A687 HydrophobicContact CD1-CB 3.88Å; R683-A687 PolarHBondContact O-N 2.92Å; R683-A687 VanDerWaalsContact O-N 3.09Å; K684-A687 PolarHBondContact O-N 2.89Å; A687-S689 PolarHBondContact O-N 3.4Å; A687-L690 WeakPolarHBondContact O-CG 3.32Å; A687-L690 PolarHBondContact O-N 3.28Å
688	G	85.2	Confident	92.9	Very high	31 Å²	31	22.6 Å²	22.6	32%	0.32	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.6	176.8	0	0	0	0	0	114.9	L686 R691	L686-G688 VanDerWaalsContact C-N 3.29Å; L686-G688 PolarHBondContact O-N 3.43Å; G688-R691 PolarHBondContact O-NH1 3.48Å; G688-R691 PolarHBondContact O-NH2 2.93Å
689	S	88.8	Confident	92.7	Very high	8 Å²	8	25.9 Å²	25.9	6%	0.056	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-7	180	-58.7	0	0	0	0	113.3	L686 A687	L686-S689 WeakPolarHBondContact O-CB 3.21Å; L686-S689 PolarHBondContact O-N 2.98Å; A687-S689 PolarHBondContact O-N 3.4Å
690	L	92.3	Very high	92.4	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	137.4	177.8	-56.3	-179.9	0	0	0	110.8	I668 V682 A687 I693 F716 L718	I668-L690 HydrophobicContact CD1-CD1 4.06Å; I668-L690 HydrophobicContact CG1-CD1 4.03Å; I668-L690 HydrophobicContact CG2-CD1 4Å; V682-L690 HydrophobicContact CB-CD1 4.26Å; V682-L690 HydrophobicContact CG1-CD1 4.27Å; V682-L690 HydrophobicContact CG2-CD1 3.99Å; A687-L690 WeakPolarHBondContact O-CG 3.32Å; A687-L690 PolarHBondContact O-N 3.28Å; L690-I693 HydrophobicContact CB-CD1 3.86Å; L690-I693 HydrophobicContact CB-CG1 4.19Å; L690-I693 HydrophobicContact CD1-CD1 4.25Å; L690-F716 HydrophobicContact CD2-CD2 3.6Å; L690-F716 HydrophobicContact CD2-CE2 3.71Å; L690-F716 HydrophobicContact CD2-CG 4.3Å; L690-F716 HydrophobicContact CD2-CZ 4.47Å; L690-L718 HydrophobicContact CD2-CB 4.49Å; L690-L718 HydrophobicContact CD2-CD1 4.31Å
691	R	90	Very high	91.7	Very high	30 Å²	30	26.5 Å²	26.5	11%	0.113	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	159.1	179.2	-59.5	-68.9	176.4	-94.5	-0.9	110.2	G688 I693 Q717	G688-R691 PolarHBondContact O-NH1 3.48Å; G688-R691 PolarHBondContact O-NH2 2.93Å; R691-I693 PolarHBondContact O-N 2.9Å; R691-I693 VanDerWaalsContact O-N 3.1Å; R691-Q717 HydrophobicContact CB-CB 4.41Å; R691-Q717 PolarHBondContact N-O 3.1Å; R691-Q717 PolarHBondContact O-N 2.73Å
692	N	90.5	Very high	90.9	Very high	71 Å²	71	33.3 Å²	33.3	38%	0.38	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	50.1	40.2	173.7	-62.6	-39.7	0	0	0	112.8	D251 A694 R715 Q717	D251-N692 WeakPolarHBondContact OD2-CA 3.28Å; D251-N692 PolarHBondContact OD2-N 2.85Å; N692-A694 PolarHBondContact O-N 2.79Å; N692-R715 WeakPolarHBondContact O-CD 3.48Å; N692-R715 PolarHBondContact O-NH1 3.39Å; N692-Q717 PolarHBondContact ND2-OE1 2.64Å
693	I	94	Very high	90	Very high	20 Å²	20	37.1 Å²	37.1	10%	0.103	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	125.2	175	-59	161.1	0	0	0	108	R301 I668 T669 L690 R691 R715 F716	R301-I693 VanDerWaalsContact NH2-N 3.12Å; I668-I693 HydrophobicContact CG2-CD1 3.64Å; I668-I693 HydrophobicContact CG2-CG1 4.48Å; I668-I693 HydrophobicContact CG2-CG2 4.46Å; T669-I693 HydrophobicContact CG2-CG2 3.98Å; L690-I693 HydrophobicContact CB-CD1 3.86Å; L690-I693 HydrophobicContact CB-CG1 4.19Å; L690-I693 HydrophobicContact CD1-CD1 4.25Å; R691-I693 PolarHBondContact O-N 2.9Å; R691-I693 VanDerWaalsContact O-N 3.1Å; I693-R715 VanDerWaalsContact CA-O 3.3Å; I693-R715 WeakPolarHBondContact CA-O 3.15Å; I693-F716 HydrophobicContact CG1-CB 3.88Å
694	A	92.7	Very high	89.2	Confident	16 Å²	16	36.9 Å²	36.9	13%	0.132	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	157.7	177.7	0	0	0	0	0	111.1	N692 R715 P754	N692-A694 PolarHBondContact O-N 2.79Å; A694-R715 HydrophobicContact CB-CG 4.01Å; A694-R715 PolarHBondContact N-O 3.15Å; A694-R715 PolarHBondContact O-N 3.44Å; A694-P754 HydrophobicContact CB-CG 3.58Å
695	T	93.4	Very high	88.4	Confident	54 Å²	54	37.2 Å²	37.2	33%	0.331	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	155.5	176.4	67	0	0	0	0	110.5	T669 V671 A713 I714	T669-T695 HydrophobicContact CG2-CG2 3.84Å; V671-T695 HydrophobicContact CB-CG2 4.19Å; V671-T695 HydrophobicContact CG1-CG2 4.43Å; T695-A713 CarbonylContact C-O 3.38Å; T695-A713 WeakPolarHBondContact CA-O 3.45Å; T695-I714 HydrophobicContact CG2-CG1 3.97Å; T695-I714 HydrophobicContact CG2-CG2 4.49Å
696	S	92.7	Very high	87.9	Confident	25 Å²	25	35.7 Å²	35.7	18%	0.175	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	162.4	174.6	-171.9	0	0	0	0	110.3	V712 A713 S752	S696-V712 CarbonylContact O-C 3.55Å; S696-V712 WeakPolarHBondContact O-CA 3.29Å; S696-A713 PolarHBondContact N-O 2.77Å; S696-A713 PolarHBondContact O-N 3.01Å; S696-S752 VanDerWaalsContact CB-O 3.25Å; S696-S752 WeakPolarHBondContact CB-O 3.43Å; S696-S752 PolarHBondContact OG-O 3.39Å
697	S	93.5	Very high	87.3	Confident	44 Å²	44	35.7 Å²	35.7	31%	0.308	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	147.8	177.3	65.5	0	0	0	0	111.7	A711	S697-A711 CarbonylContact C-O 3.57Å; S697-A711 VanDerWaalsContact CA-O 3.22Å; S697-A711 WeakPolarHBondContact CA-O 3.17Å
698	V	93.5	Very high	87	Confident	8 Å²	8	37.6 Å²	37.6	5%	0.048	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	131.7	178	171.6	0	0	0	0	109.9	L673 T700 G710 A711 I747 R750 L751	L673-V698 WeakPolarHBondContact CD2-O 3.21Å; V698-T700 HydrophobicContact CG1-CG2 4.31Å; V698-G710 CarbonylContact O-C 3.54Å; V698-G710 WeakPolarHBondContact O-CA 3.42Å; V698-A711 PolarHBondContact N-O 3.41Å; V698-A711 PolarHBondContact O-N 2.74Å; V698-I747 HydrophobicContact CG1-CG1 4.46Å; V698-R750 HydrophobicContact CG1-CB 3.97Å; V698-R750 HydrophobicContact CG2-CB 3.98Å; V698-L751 VanDerWaalsContact CG2-CA 3.42Å; V698-L751 HydrophobicContact CG2-CB 3.58Å; V698-L751 HydrophobicContact CG2-CD1 4.29Å; V698-L751 HydrophobicContact CG2-CG 3.98Å
699	K	93.9	Very high	87.4	Confident	71 Å²	71	37 Å²	37	31%	0.309	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.5	172.7	-62.1	179.4	-175.8	177.3	0	110.1	L673 G704	L673-K699 HydrophobicContact CD1-CG 3.81Å; L673-K699 HydrophobicContact CD2-CG 4.29Å; K699-G704 WeakPolarHBondContact O-CA 3.27Å
700	T	92.1	Very high	87.7	Confident	10 Å²	10	36.7 Å²	36.7	6%	0.061	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	-14.4	171.5	66.2	0	0	0	0	113.2	V698 G703 G704 K709 G710 D743 E746 I747	V698-T700 HydrophobicContact CG1-CG2 4.31Å; T700-G703 PolarHBondContact O-N 2.82Å; T700-G704 PolarHBondContact O-N 2.91Å; T700-K709 PolarHBondContact N-O 3.45Å; T700-G710 WeakPolarHBondContact OG1-CA 3.42Å; T700-G710 PolarHBondContact OG1-N 3.05Å; T700-D743 WeakPolarHBondContact CB-OD1 3.28Å; T700-D743 PolarHBondContact OG1-OD1 2.88Å; T700-E746 HydrophobicContact CG2-CB 4.35Å; T700-E746 HydrophobicContact CG2-CG 4.24Å; T700-I747 HydrophobicContact CG2-CD1 4.25Å; T700-I747 HydrophobicContact CG2-CG1 3.81Å
701	G	83.2	Confident	88	Confident	4 Å²	4	36.6 Å²	36.6	4%	0.041	23%	0.227	C	C	.	.	H	α-helix	trans	-59.8	144.1	178	0	0	0	0	0	113.6	G703 G704 T705 A706 K709	G701-G703 VanDerWaalsContact C-N 3.3Å; G701-G703 PolarHBondContact O-N 3.11Å; G701-G704 CarbonylContact O-C 3.56Å; G701-G704 PolarHBondContact O-N 2.75Å; G701-T705 PolarHBondContact O-N 3.29Å; G701-A706 VanDerWaalsContact CA-O 3.3Å; G701-A706 WeakPolarHBondContact CA-O 3.19Å; G701-A706 PolarHBondContact N-O 3.01Å; G701-A706 VanDerWaalsContact N-O 3.14Å; G701-A706 PolarHBondContact O-N 3.41Å; G701-K709 PolarHBondContact N-O 3.06Å
702	L	82	Confident	88.4	Confident	142 Å²	142	35.1 Å²	35.1	74%	0.743	22%	0.222	S	C	*	.	H	α-helix	trans	47.6	48.7	-176.4	-61.8	-177.2	0	0	0	112.9	G704 T705 A706	L702-G704 VanDerWaalsContact C-N 3.33Å; L702-G704 PolarHBondContact O-N 3.03Å; L702-T705 WeakPolarHBondContact CB-OG1 3.21Å; L702-T705 PolarHBondContact O-OG1 3.03Å; L702-A706 HydrophobicContact CB-CB 4Å; L702-A706 HydrophobicContact CD1-CB 3.88Å; L702-A706 HydrophobicContact CG-CB 3.87Å
703	G	76.9	Confident	88.7	Confident	81 Å²	81	31.8 Å²	31.8	84%	0.835	20%	0.204	S	C	*	.	H	α-helix	trans	66.5	32.9	-177.8	0	0	0	0	0	113.4	T700 G701	T700-G703 PolarHBondContact O-N 2.82Å; G701-G703 VanDerWaalsContact C-N 3.3Å; G701-G703 PolarHBondContact O-N 3.11Å
704	G	76.8	Confident	88.9	Confident	12 Å²	12	30.9 Å²	30.9	12%	0.124	20%	0.199	C	C	.	.	H	α-helix	trans	88.1	6.9	178.6	0	0	0	0	0	116.5	K699 T700 G701 L702	K699-G704 WeakPolarHBondContact O-CA 3.27Å; T700-G704 PolarHBondContact O-N 2.91Å; G701-G704 CarbonylContact O-C 3.56Å; G701-G704 PolarHBondContact O-N 2.75Å; L702-G704 VanDerWaalsContact C-N 3.33Å; L702-G704 PolarHBondContact O-N 3.03Å
705	T	74.7	Confident	89.1	Confident	108 Å²	108	30.5 Å²	30.5	66%	0.663	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-29.5	179.9	60	0	0	0	0	113.6	G701 L702	G701-T705 PolarHBondContact O-N 3.29Å; L702-T705 WeakPolarHBondContact CB-OG1 3.21Å; L702-T705 PolarHBondContact O-OG1 3.03Å
706	A	77.6	Confident	89.3	Confident	11 Å²	11	28 Å²	28	9%	0.091	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.5	-179.7	0	0	0	0	0	112	I634 G701 L702 N708	I634-A706 HydrophobicContact CG2-CB 4.47Å; G701-A706 VanDerWaalsContact CA-O 3.3Å; G701-A706 WeakPolarHBondContact CA-O 3.19Å; G701-A706 PolarHBondContact N-O 3.01Å; G701-A706 VanDerWaalsContact N-O 3.14Å; G701-A706 PolarHBondContact O-N 3.41Å; L702-A706 HydrophobicContact CB-CB 4Å; L702-A706 HydrophobicContact CD1-CB 3.88Å; L702-A706 HydrophobicContact CG-CB 3.87Å; A706-N708 VanDerWaalsContact CB-OD1 3.23Å; A706-N708 WeakPolarHBondContact CB-OD1 2.98Å
707	G	79.2	Confident	89.4	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	7.9	-177.7	0	0	0	0	0	115.5	V674 K709	V674-G707 WeakPolarHBondContact CB-O 3.28Å; V674-G707 WeakPolarHBondContact CG2-O 3.36Å; G707-K709 PolarHBondContact O-N 3.19Å
708	N	84.4	Confident	89.4	Confident	41 Å²	41	25.8 Å²	25.8	22%	0.219	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-12.5	177.7	65.9	-57.5	0	0	0	113.7	L629 I634 A706	L629-N708 HydrophobicContact CD2-CB 4.08Å; I634-N708 HydrophobicContact CD1-CB 4.34Å; I634-N708 HydrophobicContact CG1-CB 4.48Å; A706-N708 VanDerWaalsContact CB-OD1 3.23Å; A706-N708 WeakPolarHBondContact CB-OD1 2.98Å
709	K	93.8	Very high	89.4	Confident	19 Å²	19	26.3 Å²	26.3	8%	0.083	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	149.3	173.2	-62.2	-66.8	176.7	-103.3	0	109.1	T700 G701 G707 H729 F730	T700-K709 PolarHBondContact N-O 3.45Å; G701-K709 PolarHBondContact N-O 3.06Å; G707-K709 PolarHBondContact O-N 3.19Å; K709-H729 WeakPolarHBondContact CA-O 3.37Å; K709-H729 WeakPolarHBondContact CB-O 3.4Å; K709-H729 HydrophobicContact CD-CB 4.43Å; K709-H729 WeakPolarHBondContact CD-O 3.28Å; K709-H729 WeakPolarHBondContact CE-NE2 3.46Å; K709-H729 PolarHBondContact NZ-CD2 2.9Å; K709-H729 VanDerWaalsContact NZ-CD2 3.33Å; K709-H729 PolarHBondContact NZ-CE1 3.27Å; K709-H729 PolarHBondContact NZ-NE2 2.82Å; K709-F730 VanDerWaalsContact CD-O 3.25Å; K709-F730 WeakPolarHBondContact CD-O 3.5Å; K709-F730 VanDerWaalsContact CE-O 3.26Å; K709-F730 WeakPolarHBondContact CE-O 3.44Å
710	G	95.4	Very high	89.3	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.8	-156.5	-177.1	0	0	0	0	0	112.6	V698 T700 S728 H729	V698-G710 CarbonylContact O-C 3.54Å; V698-G710 WeakPolarHBondContact O-CA 3.42Å; T700-G710 WeakPolarHBondContact OG1-CA 3.42Å; T700-G710 PolarHBondContact OG1-N 3.05Å; G710-S728 VanDerWaalsContact O-CA 3.31Å; G710-S728 WeakPolarHBondContact O-CA 3.24Å; G710-H729 PolarHBondContact N-O 2.87Å; G710-H729 VanDerWaalsContact N-O 3.08Å; G710-H729 PolarHBondContact O-N 2.9Å
711	A	97.9	Very high	89.4	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	154	-176.8	0	0	0	0	0	112.7	S697 V698 V726 C727 S728 I747 L751	S697-A711 CarbonylContact C-O 3.57Å; S697-A711 VanDerWaalsContact CA-O 3.22Å; S697-A711 WeakPolarHBondContact CA-O 3.17Å; V698-A711 PolarHBondContact N-O 3.41Å; V698-A711 PolarHBondContact O-N 2.74Å; A711-V726 HydrophobicContact CB-CG1 4.1Å; A711-C727 CarbonylContact C-O 3.59Å; A711-C727 VanDerWaalsContact CA-O 3.29Å; A711-C727 WeakPolarHBondContact CA-O 3.49Å; A711-S728 VanDerWaalsContact CB-OG 3.25Å; A711-S728 WeakPolarHBondContact CB-OG 3.28Å; A711-I747 HydrophobicContact CB-CB 4.42Å; A711-I747 HydrophobicContact CB-CD1 3.7Å; A711-I747 HydrophobicContact CB-CG1 3.87Å; A711-I747 HydrophobicContact CB-CG2 3.63Å; A711-L751 HydrophobicContact CB-CD1 4.31Å
712	V	97.4	Very high	90.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.8	164.9	-59.9	0	0	0	0	109.2	V671 L673 V676 L678 S696 V726 C727	V671-V712 HydrophobicContact CB-CB 4.44Å; V671-V712 HydrophobicContact CG1-CB 3.69Å; V671-V712 HydrophobicContact CG1-CG1 4.48Å; V671-V712 HydrophobicContact CG1-CG2 3.97Å; V671-V712 HydrophobicContact CG2-CB 4.02Å; V671-V712 HydrophobicContact CG2-CG1 4.06Å; L673-V712 HydrophobicContact CB-CG1 3.48Å; L673-V712 VanDerWaalsContact CB-CG1 3.48Å; V676-V712 HydrophobicContact CB-CG1 4.46Å; V676-V712 HydrophobicContact CG1-CG1 4.36Å; V676-V712 HydrophobicContact CG1-CG2 3.9Å; L678-V712 HydrophobicContact CB-CG2 3.54Å; S696-V712 CarbonylContact O-C 3.55Å; S696-V712 WeakPolarHBondContact O-CA 3.29Å; V712-V726 WeakPolarHBondContact O-CA 3.46Å; V712-C727 HydrophobicContact CG2-CB 4.04Å; V712-C727 PolarHBondContact N-O 2.81Å; V712-C727 PolarHBondContact O-N 3.29Å
713	A	98.4	Very high	90.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142.6	177.7	0	0	0	0	0	111.5	T695 S696 F725 V726 L751	T695-A713 CarbonylContact C-O 3.38Å; T695-A713 WeakPolarHBondContact CA-O 3.45Å; S696-A713 PolarHBondContact N-O 2.77Å; S696-A713 PolarHBondContact O-N 3.01Å; A713-F725 CarbonylContact C-O 3.55Å; A713-F725 WeakPolarHBondContact CA-O 3.33Å; A713-V726 HydrophobicContact CB-CG2 4.13Å; A713-L751 HydrophobicContact CB-CD1 3.84Å; A713-L751 HydrophobicContact CB-CD2 3.79Å; A713-L751 HydrophobicContact CB-CG 4.46Å
714	I	98.1	Very high	91.9	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.2	167.4	-58.7	177.1	0	0	0	107.5	T669 V671 L678 L680 T695 F725	T669-I714 HydrophobicContact CG2-CD1 3.91Å; T669-I714 HydrophobicContact CG2-CG1 4.25Å; T669-I714 HydrophobicContact CG2-CG2 3.58Å; V671-I714 HydrophobicContact CG1-CD1 4.08Å; V671-I714 HydrophobicContact CG1-CG1 3.58Å; L678-I714 HydrophobicContact CB-CD1 4.23Å; L678-I714 HydrophobicContact CD2-CB 4.18Å; L678-I714 HydrophobicContact CD2-CD1 4.14Å; L678-I714 HydrophobicContact CD2-CG1 3.86Å; L678-I714 HydrophobicContact CG-CD1 3.78Å; L678-I714 HydrophobicContact CG-CG1 4.07Å; L678-I714 WeakPolarHBondContact O-CD1 3.38Å; L680-I714 HydrophobicContact CB-CD1 3.87Å; L680-I714 HydrophobicContact CB-CG2 4.2Å; L680-I714 HydrophobicContact CD2-CG2 3.73Å; T695-I714 HydrophobicContact CG2-CG1 3.97Å; T695-I714 HydrophobicContact CG2-CG2 4.49Å; I714-F725 PolarHBondContact N-O 2.55Å; I714-F725 PolarHBondContact O-N 2.75Å
715	R	97.1	Very high	92.9	Very high	9 Å²	9	11.4 Å²	11.4	3%	0.034	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	153	174.1	71.3	89.9	66.1	-168.6	-1.7	111.2	N692 I693 A694 I723 C724 L753 R757 H762	N692-R715 WeakPolarHBondContact O-CD 3.48Å; N692-R715 PolarHBondContact O-NH1 3.39Å; I693-R715 VanDerWaalsContact CA-O 3.3Å; I693-R715 WeakPolarHBondContact CA-O 3.15Å; A694-R715 HydrophobicContact CB-CG 4.01Å; A694-R715 PolarHBondContact N-O 3.15Å; A694-R715 PolarHBondContact O-N 3.44Å; R715-I723 CarbonylContact C-O 3.58Å; R715-I723 VanDerWaalsContact CA-O 3.24Å; R715-I723 WeakPolarHBondContact CA-O 3.29Å; R715-C724 HydrophobicContact CB-CB 4.28Å; R715-L753 HydrophobicContact CB-CD1 4.2Å; R715-L753 HydrophobicContact CG-CD1 4.02Å; R715-L753 HydrophobicContact CG-CD2 3.85Å; R715-L753 HydrophobicContact CG-CG 4.35Å; R715-R757 VanDerWaalsContact NH2-CD 3.3Å; R715-H762 PolarHBondContact NE-NE2 2.73Å; R715-H762 PolarHBondContact NH2-NE2 3.28Å
716	F	96.4	Very high	94.1	Very high	1 Å²	1	6.3 Å²	6.3	0%	0.004	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	174	166.2	64.8	-95.1	0	0	0	110.5	L680 L690 I693 L718 I723 F725	L680-F716 HydrophobicContact CD1-CE1 3.95Å; L680-F716 HydrophobicContact CD2-CD1 3.59Å; L680-F716 HydrophobicContact CD2-CE1 3.76Å; L680-F716 HydrophobicContact CG-CE1 4.49Å; L690-F716 HydrophobicContact CD2-CD2 3.6Å; L690-F716 HydrophobicContact CD2-CE2 3.71Å; L690-F716 HydrophobicContact CD2-CG 4.3Å; L690-F716 HydrophobicContact CD2-CZ 4.47Å; I693-F716 HydrophobicContact CG1-CB 3.88Å; F716-L718 HydrophobicContact CD2-CB 4.42Å; F716-L718 HydrophobicContact CE2-CB 4.19Å; F716-I723 HydrophobicContact CE1-CB 4.49Å; F716-I723 HydrophobicContact CE2-CB 4.32Å; F716-I723 HydrophobicContact CE2-CD1 3.77Å; F716-I723 HydrophobicContact CE2-CG1 4.42Å; F716-I723 HydrophobicContact CZ-CB 4.21Å; F716-I723 HydrophobicContact CZ-CD1 3.89Å; F716-I723 HydrophobicContact CZ-CG2 4.45Å; F716-I723 PolarHBondContact N-O 3.01Å; F716-I723 PolarHBondContact O-N 2.85Å; F716-F725 HydrophobicContact CE1-CD2 4.29Å; F716-F725 AromaticContact CE1-CE2 3.64Å; F716-F725 HydrophobicContact CE1-CE2 3.64Å; F716-F725 HydrophobicContact CZ-CE2 4.24Å
717	Q	94.5	Very high	95.1	Very high	20 Å²	20	5.8 Å²	5.8	9%	0.093	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.5	172.5	179	178.3	-27.6	0	0	109.2	R691 N692 G719 T721	R691-Q717 HydrophobicContact CB-CB 4.41Å; R691-Q717 PolarHBondContact N-O 3.1Å; R691-Q717 PolarHBondContact O-N 2.73Å; N692-Q717 PolarHBondContact ND2-OE1 2.64Å; Q717-G719 VanDerWaalsContact CG-O 3.26Å; Q717-G719 WeakPolarHBondContact CG-O 3.44Å; Q717-G719 PolarHBondContact NE2-O 3.27Å; Q717-T721 WeakPolarHBondContact CA-O 3.2Å
718	L	94.6	Very high	96	Very high	2 Å²	2	5.7 Å²	5.7	1%	0.01	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	117	173.2	-179.7	64.3	0	0	0	107.6	L557 L686 L690 F716 A720 T721 V906 I1062 F1067	L557-L718 HydrophobicContact CD1-CD2 4.05Å; L557-L718 HydrophobicContact CD2-CD2 4.27Å; L686-L718 HydrophobicContact CD2-CD1 4.48Å; L686-L718 HydrophobicContact CD2-CD2 4.11Å; L690-L718 HydrophobicContact CD2-CB 4.49Å; L690-L718 HydrophobicContact CD2-CD1 4.31Å; F716-L718 HydrophobicContact CD2-CB 4.42Å; F716-L718 HydrophobicContact CE2-CB 4.19Å; L718-A720 PolarHBondContact O-N 3.12Å; L718-T721 PolarHBondContact N-O 2.79Å; L718-T721 PolarHBondContact O-N 3.33Å; L718-V906 HydrophobicContact CB-CG1 4.35Å; L718-V906 HydrophobicContact CD2-CG1 4.1Å; L718-V906 HydrophobicContact CD2-CG2 4.18Å; L718-V906 HydrophobicContact CG-CG1 3.93Å; L718-V906 WeakPolarHBondContact O-CG1 3.43Å; L718-I1062 HydrophobicContact CD1-CD1 4.05Å; L718-F1067 HydrophobicContact CD2-CE1 3.81Å; L718-F1067 HydrophobicContact CD2-CZ 4.29Å; L718-F1067 HydrophobicContact CG-CE1 4.38Å; L718-F1067 HydrophobicContact CG-CZ 4.38Å
719	G	92.2	Very high	96.6	Very high	19 Å²	19	4 Å²	4	20%	0.196	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	-132.5	-165.3	0	0	0	0	0	111.3	Q717 Q907	Q717-G719 VanDerWaalsContact CG-O 3.26Å; Q717-G719 WeakPolarHBondContact CG-O 3.44Å; Q717-G719 PolarHBondContact NE2-O 3.27Å; G719-Q907 CarbonylContact C-O 3.36Å
720	A	92.9	Very high	96.8	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-7.8	171.2	0	0	0	0	0	112.9	Q527 Y528 L718 Q907 I909	Q527-A720 HydrophobicContact CB-CB 4.44Å; Q527-A720 PolarHBondContact OE1-O 2.97Å; Y528-A720 HydrophobicContact CD1-CB 3.93Å; Y528-A720 HydrophobicContact CE1-CB 3.66Å; Y528-A720 HydrophobicContact CE2-CB 4.23Å; Y528-A720 HydrophobicContact CG-CB 4.36Å; L718-A720 PolarHBondContact O-N 3.12Å; A720-Q907 HydrophobicContact CB-CB 4.4Å; A720-Q907 PolarHBondContact N-O 3.06Å; A720-I909 HydrophobicContact CB-CD1 4.13Å; A720-I909 HydrophobicContact CB-CG1 4.12Å
721	T	95.1	Very high	96.9	Very high	4 Å²	4	4.9 Å²	4.9	3%	0.025	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	121.6	-174.9	-57	0	0	0	0	112	Q717 L718 I723 D763 Y764 Q907	Q717-T721 WeakPolarHBondContact CA-O 3.2Å; L718-T721 PolarHBondContact N-O 2.79Å; L718-T721 PolarHBondContact O-N 3.33Å; T721-I723 HydrophobicContact CG2-CG1 4.15Å; T721-D763 HydrophobicContact CG2-CB 4.19Å; T721-Y764 HydrophobicContact CG2-CD2 3.71Å; T721-Y764 HydrophobicContact CG2-CE2 3.94Å; T721-Q907 PolarHBondContact OG1-N 3.2Å
722	S	95.9	Very high	96.7	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	130	174	64.3	0	0	0	0	112	Q527 H762 D763 Y764	Q527-S722 PolarHBondContact NE2-OG 3.28Å; Q527-S722 VanDerWaalsContact NE2-OG 3.08Å; S722-H762 WeakPolarHBondContact OG-CA 3.47Å; S722-D763 WeakPolarHBondContact CA-OD2 3.39Å; S722-D763 WeakPolarHBondContact CB-OD2 3.27Å; S722-D763 PolarHBondContact N-OD2 3.06Å; S722-D763 WeakPolarHBondContact O-CB 3.31Å; S722-D763 PolarHBondContact O-N 3.44Å; S722-D763 VanDerWaalsContact O-N 3.08Å; S722-D763 PolarHBondContact OG-N 3.16Å; S722-D763 PolarHBondContact OG-OD2 3.15Å; S722-Y764 PolarHBondContact O-N 3.25Å
723	I	98.3	Very high	96.4	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.1	-174.9	-54.1	172.9	0	0	0	108.6	L557 R715 F716 T721 F725 Y764 F766 I904	L557-I723 HydrophobicContact CD2-CD1 4.08Å; R715-I723 CarbonylContact C-O 3.58Å; R715-I723 VanDerWaalsContact CA-O 3.24Å; R715-I723 WeakPolarHBondContact CA-O 3.29Å; F716-I723 HydrophobicContact CE1-CB 4.49Å; F716-I723 HydrophobicContact CE2-CB 4.32Å; F716-I723 HydrophobicContact CE2-CD1 3.77Å; F716-I723 HydrophobicContact CE2-CG1 4.42Å; F716-I723 HydrophobicContact CZ-CB 4.21Å; F716-I723 HydrophobicContact CZ-CD1 3.89Å; F716-I723 HydrophobicContact CZ-CG2 4.45Å; F716-I723 PolarHBondContact N-O 3.01Å; F716-I723 PolarHBondContact O-N 2.85Å; T721-I723 HydrophobicContact CG2-CG1 4.15Å; I723-F725 HydrophobicContact CG2-CD2 4.15Å; I723-F725 HydrophobicContact CG2-CE2 3.42Å; I723-F725 VanDerWaalsContact CG2-CE2 3.42Å; I723-F725 HydrophobicContact CG2-CZ 3.69Å; I723-Y764 WeakPolarHBondContact CA-O 3.22Å; I723-F766 HydrophobicContact CG2-CD2 4.16Å; I723-F766 HydrophobicContact CG2-CE2 4.18Å; I723-I904 HydrophobicContact CD1-CD1 3.73Å; I723-I904 HydrophobicContact CG1-CD1 4.41Å
724	C	98.5	Very high	96.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	128	176.8	-171.2	0	0	0	0	110.5	R715 H762 Y764 V765 F766	R715-C724 HydrophobicContact CB-CB 4.28Å; C724-H762 HydrophobicContact CB-CB 3.94Å; C724-Y764 PolarHBondContact N-O 3.32Å; C724-V765 HydrophobicContact CB-CG2 4.47Å; C724-V765 CarbonylContact O-C 3.59Å; C724-V765 WeakPolarHBondContact O-CA 3.45Å; C724-F766 PolarHBondContact O-N 3.22Å
725	F	98.9	Very high	96.1	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.018	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132	171.9	-63.3	-84.4	0	0	0	108.7	L559 V561 V618 A620 L678 L680 A713 I714 F716 I723 F766	L559-F725 HydrophobicContact CD1-CE1 4.46Å; V561-F725 HydrophobicContact CG2-CD1 4.21Å; V561-F725 HydrophobicContact CG2-CE1 3.84Å; V618-F725 HydrophobicContact CG1-CE2 4.48Å; V618-F725 HydrophobicContact CG1-CZ 4.26Å; A620-F725 HydrophobicContact CB-CB 4.21Å; A620-F725 HydrophobicContact CB-CD1 3.2Å; A620-F725 HydrophobicContact CB-CD2 4.21Å; A620-F725 HydrophobicContact CB-CE1 3.51Å; A620-F725 HydrophobicContact CB-CE2 4.45Å; A620-F725 HydrophobicContact CB-CG 3.6Å; A620-F725 HydrophobicContact CB-CZ 4.13Å; L678-F725 HydrophobicContact CD2-CB 3.9Å; L678-F725 WeakPolarHBondContact CD2-O 3.35Å; L680-F725 HydrophobicContact CD1-CD2 4.25Å; L680-F725 HydrophobicContact CD1-CE2 4.13Å; A713-F725 CarbonylContact C-O 3.55Å; A713-F725 WeakPolarHBondContact CA-O 3.33Å; I714-F725 PolarHBondContact N-O 2.55Å; I714-F725 PolarHBondContact O-N 2.75Å; F716-F725 HydrophobicContact CE1-CD2 4.29Å; F716-F725 AromaticContact CE1-CE2 3.64Å; F716-F725 HydrophobicContact CE1-CE2 3.64Å; F716-F725 HydrophobicContact CZ-CE2 4.24Å; I723-F725 HydrophobicContact CG2-CD2 4.15Å; I723-F725 HydrophobicContact CG2-CE2 3.42Å; I723-F725 VanDerWaalsContact CG2-CE2 3.42Å; I723-F725 HydrophobicContact CG2-CZ 3.69Å; F725-F766 CarbonylContact C-O 3.42Å; F725-F766 WeakPolarHBondContact CA-O 3.29Å; F725-F766 HydrophobicContact CD1-CB 3.57Å; F725-F766 HydrophobicContact CD1-CD2 4.04Å; F725-F766 HydrophobicContact CD1-CG 4.07Å; F725-F766 HydrophobicContact CE1-CB 3.82Å; F725-F766 AromaticContact CE1-CD2 3.51Å; F725-F766 HydrophobicContact CE1-CD2 3.51Å; F725-F766 HydrophobicContact CE1-CE2 4.31Å; F725-F766 AromaticContact CE1-CG 3.78Å; F725-F766 HydrophobicContact CE1-CG 3.78Å; F725-F766 AromaticContact CZ-CD2 3.98Å; F725-F766 HydrophobicContact CZ-CD2 3.98Å; F725-F766 HydrophobicContact CZ-CE2 4.47Å
726	V	98.8	Very high	96.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.8	178.6	-171.8	0	0	0	0	108.5	A711 V712 A713 I759 V765 F766 W767 C768	A711-V726 HydrophobicContact CB-CG1 4.1Å; V712-V726 WeakPolarHBondContact O-CA 3.46Å; A713-V726 HydrophobicContact CB-CG2 4.13Å; V726-I759 HydrophobicContact CG1-CD1 4.48Å; V726-I759 HydrophobicContact CG2-CD1 4.18Å; V726-I759 HydrophobicContact CG2-CG1 4.28Å; V726-I759 HydrophobicContact CG2-CG2 3.83Å; V726-V765 HydrophobicContact CG2-CG1 4.5Å; V726-F766 PolarHBondContact N-O 3.36Å; V726-W767 HydrophobicContact CB-CB 4.49Å; V726-W767 HydrophobicContact CB-CD2 3.84Å; V726-W767 HydrophobicContact CB-CE3 4.32Å; V726-W767 HydrophobicContact CB-CG 3.92Å; V726-W767 HydrophobicContact CG1-CD2 3.83Å; V726-W767 VanDerWaalsContact CG1-CE2 3.49Å; V726-W767 HydrophobicContact CG1-CE3 4.38Å; V726-W767 HydrophobicContact CG1-CG 4.23Å; V726-W767 HydrophobicContact CG1-CH2 4.38Å; V726-W767 HydrophobicContact CG1-CZ2 3.81Å; V726-W767 HydrophobicContact CG2-CD2 4.41Å; V726-W767 HydrophobicContact CG2-CE3 4.39Å; V726-W767 CarbonylContact O-C 3.57Å; V726-W767 WeakPolarHBondContact O-CA 3.15Å; V726-C768 PolarHBondContact O-N 2.93Å
727	C	98.8	Very high	96.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.6	172.6	166.6	0	0	0	0	108.5	G622 E624 V676 L678 A711 V712 C768	G622-C727 VanDerWaalsContact CA-SG 3.51Å; E624-C727 PolarHBondContact OE1-SG 2.81Å; V676-C727 HydrophobicContact CG1-CB 4.42Å; V676-C727 VanDerWaalsContact CG1-SG 3.54Å; L678-C727 HydrophobicContact CB-CB 4.1Å; L678-C727 HydrophobicContact CD1-CB 4.13Å; L678-C727 HydrophobicContact CD2-CB 4.32Å; L678-C727 HydrophobicContact CG-CB 4.41Å; A711-C727 CarbonylContact C-O 3.59Å; A711-C727 VanDerWaalsContact CA-O 3.29Å; A711-C727 WeakPolarHBondContact CA-O 3.49Å; V712-C727 HydrophobicContact CG2-CB 4.04Å; V712-C727 PolarHBondContact N-O 2.81Å; V712-C727 PolarHBondContact O-N 3.29Å; C727-C768 VanDerWaalsContact CA-O 3.24Å; C727-C768 WeakPolarHBondContact CA-O 3.42Å
728	S	98.5	Very high	96.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	151.1	-173.8	-61.9	0	0	0	0	113.7	G710 A711 W767 C768 G769 D770	G710-S728 VanDerWaalsContact O-CA 3.31Å; G710-S728 WeakPolarHBondContact O-CA 3.24Å; A711-S728 VanDerWaalsContact CB-OG 3.25Å; A711-S728 WeakPolarHBondContact CB-OG 3.28Å; S728-W767 PolarHBondContact OG-NE1 3.31Å; S728-C768 PolarHBondContact N-O 3.41Å; S728-C768 VanDerWaalsContact N-O 3.08Å; S728-G769 CarbonylContact O-C 3.49Å; S728-G769 VanDerWaalsContact O-CA 3.27Å; S728-G769 WeakPolarHBondContact O-CA 3.34Å; S728-D770 PolarHBondContact O-N 3.4Å; S728-D770 VanDerWaalsContact O-N 3.08Å
729	H	97.8	Very high	96.5	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.019	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	106.5	167.1	-170.8	163.4	0	0	0	108.8	E624 E625 V676 K709 G710 D770 N772	E624-H729 HydrophobicContact CB-CB 4.49Å; E624-H729 HydrophobicContact CG-CB 3.96Å; E625-H729 IonicContact OE1-CE1 2.68Å; E625-H729 PolarHBondContact OE1-CE1 2.79Å; V676-H729 HydrophobicContact CG2-CB 3.56Å; K709-H729 WeakPolarHBondContact CA-O 3.37Å; K709-H729 WeakPolarHBondContact CB-O 3.4Å; K709-H729 HydrophobicContact CD-CB 4.43Å; K709-H729 WeakPolarHBondContact CD-O 3.28Å; K709-H729 WeakPolarHBondContact CE-NE2 3.46Å; K709-H729 PolarHBondContact NZ-CD2 2.9Å; K709-H729 VanDerWaalsContact NZ-CD2 3.33Å; K709-H729 PolarHBondContact NZ-CE1 3.27Å; K709-H729 PolarHBondContact NZ-NE2 2.82Å; G710-H729 PolarHBondContact N-O 2.87Å; G710-H729 VanDerWaalsContact N-O 3.08Å; G710-H729 PolarHBondContact O-N 2.9Å; H729-D770 WeakPolarHBondContact CA-O 3.34Å; H729-D770 IonicContact NE2-OD2 2.89Å; H729-N772 PolarHBondContact CD2-ND2 2.88Å; H729-N772 VanDerWaalsContact CD2-ND2 3.31Å; H729-N772 PolarHBondContact NE2-ND2 3.43Å
730	F	98.1	Very high	96.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-90.9	168.1	-177.6	-60.4	-17.7	0	0	0	113.4	K709 A732 R740 D743 F744 I747 W767 D770 F771 N772 Y773 F810	K709-F730 VanDerWaalsContact CD-O 3.25Å; K709-F730 WeakPolarHBondContact CD-O 3.5Å; K709-F730 VanDerWaalsContact CE-O 3.26Å; K709-F730 WeakPolarHBondContact CE-O 3.44Å; F730-A732 PolarHBondContact O-N 3.35Å; F730-R740 HydrophobicContact CB-CB 4.44Å; F730-R740 HydrophobicContact CB-CG 3.97Å; F730-R740 HydrophobicContact CD2-CB 4.44Å; F730-D743 HydrophobicContact CB-CB 4.43Å; F730-D743 HydrophobicContact CD1-CB 3.93Å; F730-D743 HydrophobicContact CE1-CB 4.44Å; F730-D743 HydrophobicContact CG-CB 4.23Å; F730-F744 HydrophobicContact CE2-CB 4.39Å; F730-F744 HydrophobicContact CZ-CB 4.15Å; F730-I747 HydrophobicContact CD1-CD1 4.15Å; F730-I747 HydrophobicContact CE1-CD1 3.51Å; F730-I747 HydrophobicContact CZ-CD1 4.48Å; F730-W767 HydrophobicContact CZ-CZ2 4.4Å; F730-D770 PolarHBondContact N-O 3.45Å; F730-F771 WeakPolarHBondContact CB-O 3.24Å; F730-F771 HydrophobicContact CD2-CB 3.69Å; F730-F771 AromaticContact CD2-CD1 3.99Å; F730-F771 HydrophobicContact CD2-CD1 3.99Å; F730-F771 HydrophobicContact CD2-CG 4.05Å; F730-F771 HydrophobicContact CE2-CB 4Å; F730-F771 AromaticContact CE2-CD1 3.72Å; F730-F771 HydrophobicContact CE2-CD1 3.72Å; F730-F771 HydrophobicContact CE2-CE1 4.4Å; F730-F771 AromaticContact CE2-CG 3.88Å; F730-F771 HydrophobicContact CE2-CG 3.88Å; F730-F771 HydrophobicContact CZ-CD1 4.01Å; F730-F771 HydrophobicContact CZ-CE1 4.35Å; F730-N772 PolarHBondContact O-ND2 3.43Å; F730-N772 VanDerWaalsContact O-ND2 3.12Å; F730-Y773 HydrophobicContact CD2-CE2 4.07Å; F730-Y773 HydrophobicContact CE2-CE2 4.27Å; F730-F810 HydrophobicContact CE2-CE2 4.23Å; F730-F810 HydrophobicContact CE2-CZ 4.19Å; F730-F810 HydrophobicContact CZ-CZ 4.21Å
731	T	96.6	Very high	97	Very high	39 Å²	39	30.6 Å²	30.6	24%	0.239	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-56.6	125.3	-176.8	-64	0	0	0	0	112.6	A736 E739 R740 D743 N772	T731-A736 HydrophobicContact CG2-CB 4.02Å; T731-E739 HydrophobicContact CG2-CB 3.88Å; T731-R740 VanDerWaalsContact O-CG 3.26Å; T731-R740 WeakPolarHBondContact O-CG 3.29Å; T731-R740 PolarHBondContact O-NH1 3.28Å; T731-D743 VanDerWaalsContact CB-OD2 3.32Å; T731-D743 WeakPolarHBondContact CB-OD2 3.46Å; T731-D743 PolarHBondContact N-OD2 3Å; T731-D743 PolarHBondContact OG1-OD2 3.31Å; T731-N772 WeakPolarHBondContact O-CB 3.36Å
732	A	93.5	Very high	97.1	Very high	54 Å²	54	33.7 Å²	33.7	45%	0.446	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-80.8	153.3	178.8	0	0	0	0	0	112.1	F730	F730-A732 PolarHBondContact O-N 3.35Å
733	G	92.5	Very high	97.2	Very high	23 Å²	23	34.2 Å²	34.2	24%	0.237	19%	0.19	C	C	.	.	S	Bend	trans	125.7	142.5	175.4	0	0	0	0	0	113.3	S735 A736 R740	G733-S735 PolarHBondContact O-N 3.19Å; G733-A736 PolarHBondContact O-N 3.18Å; G733-R740 PolarHBondContact O-NH1 2.84Å; G733-R740 PolarHBondContact O-NH2 3.44Å
734	Q	94.2	Very high	97.2	Very high	69 Å²	69	35 Å²	35	32%	0.322	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-46.6	-175	-172.1	65.2	22.1	0	0	112.9	R774 I775 Q799	Q734-R774 VanDerWaalsContact OE1-CB 3.24Å; Q734-I775 PolarHBondContact NE2-O 2.76Å; Q734-Q799 PolarHBondContact O-NE2 3.14Å
735	S	95.6	Very high	97	Very high	115 Å²	115	39.9 Å²	39.9	80%	0.804	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-1.8	-174.6	-49.6	0	0	0	0	114.5	G733 V737	G733-S735 PolarHBondContact O-N 3.19Å; S735-V737 PolarHBondContact O-N 3.45Å
736	A	96.4	Very high	96.9	Very high	12 Å²	12	42 Å²	42	10%	0.099	23%	0.226	C	C	.	.			trans	-82.8	39.8	-171.3	0	0	0	0	0	113.8	T731 G733 E739 R740	T731-A736 HydrophobicContact CG2-CB 4.02Å; G733-A736 PolarHBondContact O-N 3.18Å; A736-E739 WeakPolarHBondContact CA-OE2 3.16Å; A736-E739 HydrophobicContact CB-CB 4.35Å; A736-R740 WeakPolarHBondContact O-CG 3.47Å; A736-R740 VanDerWaalsContact O-CZ 3.24Å; A736-R740 PolarHBondContact O-N 3.43Å; A736-R740 PolarHBondContact O-NH1 2.65Å
737	V	98.4	Very high	96.8	Very high	28 Å²	28	42 Å²	42	17%	0.17	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-45.4	-175.9	179.3	0	0	0	0	110.6	S735 E739 R740 N741 Y773 Q799 E803	S735-V737 PolarHBondContact O-N 3.45Å; V737-E739 PolarHBondContact O-N 3.32Å; V737-R740 PolarHBondContact O-N 3.21Å; V737-N741 PolarHBondContact O-N 3.5Å; V737-N741 VanDerWaalsContact O-N 3.08Å; V737-N741 PolarHBondContact O-OD1 2.95Å; V737-Y773 HydrophobicContact CG1-CE1 4.48Å; V737-Q799 HydrophobicContact CG2-CB 4.45Å; V737-Q799 VanDerWaalsContact CG2-CD 3.44Å; V737-Q799 HydrophobicContact CG2-CG 4Å; V737-E803 HydrophobicContact CG1-CG 3.63Å; V737-E803 WeakPolarHBondContact CG1-OE1 3.16Å
738	R	97.4	Very high	96.6	Very high	185 Å²	185	43.3 Å²	43.3	70%	0.698	24%	0.235	S	C	*	.	H	α-helix	trans	-61.9	-44.3	179.6	-179.2	178.1	175.9	167.7	2.3	111.3	R740 N741 D742	R738-R740 VanDerWaalsContact C-N 3.31Å; R738-R740 PolarHBondContact O-N 3.38Å; R738-N741 WeakPolarHBondContact O-CB 3.29Å; R738-N741 PolarHBondContact O-N 3.01Å; R738-N741 VanDerWaalsContact O-N 3.13Å; R738-D742 IonicContact NE-OD2 2.68Å; R738-D742 WeakPolarHBondContact O-CB 3.31Å; R738-D742 VanDerWaalsContact O-CG 3.25Å; R738-D742 PolarHBondContact O-N 2.93Å
739	E	97.3	Very high	96.2	Very high	91 Å²	91	51.7 Å²	51.7	43%	0.425	27%	0.266	S	S	.	.	H	α-helix	trans	-64	-35.2	-179.9	-65.2	83	168	0	0	112.1	T731 A736 V737 D742 D743	T731-E739 HydrophobicContact CG2-CB 3.88Å; A736-E739 WeakPolarHBondContact CA-OE2 3.16Å; A736-E739 HydrophobicContact CB-CB 4.35Å; V737-E739 PolarHBondContact O-N 3.32Å; E739-D742 PolarHBondContact O-N 3.37Å; E739-D743 WeakPolarHBondContact O-CB 3.47Å; E739-D743 VanDerWaalsContact O-CG 3.29Å; E739-D743 PolarHBondContact O-N 3.31Å
740	R	97.9	Very high	95.9	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-68.3	-38.6	172.4	-71.5	-175.5	-78.7	-82.7	5	112.6	F730 T731 G733 A736 V737 R738 D742 D743 F744 F771 N772 Y773	F730-R740 HydrophobicContact CB-CB 4.44Å; F730-R740 HydrophobicContact CB-CG 3.97Å; F730-R740 HydrophobicContact CD2-CB 4.44Å; T731-R740 VanDerWaalsContact O-CG 3.26Å; T731-R740 WeakPolarHBondContact O-CG 3.29Å; T731-R740 PolarHBondContact O-NH1 3.28Å; G733-R740 PolarHBondContact O-NH1 2.84Å; G733-R740 PolarHBondContact O-NH2 3.44Å; A736-R740 WeakPolarHBondContact O-CG 3.47Å; A736-R740 VanDerWaalsContact O-CZ 3.24Å; A736-R740 PolarHBondContact O-N 3.43Å; A736-R740 PolarHBondContact O-NH1 2.65Å; V737-R740 PolarHBondContact O-N 3.21Å; R738-R740 VanDerWaalsContact C-N 3.31Å; R738-R740 PolarHBondContact O-N 3.38Å; R740-D742 VanDerWaalsContact C-N 3.35Å; R740-D743 WeakPolarHBondContact O-CB 3.39Å; R740-D743 PolarHBondContact O-N 2.91Å; R740-F744 PolarHBondContact O-N 3.27Å; R740-F771 WeakPolarHBondContact CD-O 3.25Å; R740-N772 PolarHBondContact NH1-O 2.9Å; R740-Y773 HydrophobicContact CB-CE1 3.96Å; R740-Y773 HydrophobicContact CB-CE2 4.06Å
741	N	98.4	Very high	95.7	Very high	14 Å²	14	56.1 Å²	56.1	8%	0.075	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-42.5	173.2	-65.8	-4.7	0	0	0	110.9	V737 R738 F744 Q745 Y773 E803 V809	V737-N741 PolarHBondContact O-N 3.5Å; V737-N741 VanDerWaalsContact O-N 3.08Å; V737-N741 PolarHBondContact O-OD1 2.95Å; R738-N741 WeakPolarHBondContact O-CB 3.29Å; R738-N741 PolarHBondContact O-N 3.01Å; R738-N741 VanDerWaalsContact O-N 3.13Å; N741-F744 PolarHBondContact O-N 2.98Å; N741-Q745 WeakPolarHBondContact O-CG 3.11Å; N741-Q745 PolarHBondContact O-N 3.27Å; N741-Y773 PolarHBondContact OD1-OH 3.12Å; N741-E803 PolarHBondContact ND2-OE2 3.33Å; N741-V809 HydrophobicContact CB-CG1 3.88Å; N741-V809 VanDerWaalsContact OD1-CG1 3.31Å; N741-V809 WeakPolarHBondContact OD1-CG1 3.46Å
742	D	97.2	Very high	95.3	Very high	70 Å²	70	57.7 Å²	57.7	37%	0.374	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-41.5	175.9	-67.9	-18.1	0	0	0	111	R738 E739 R740 F744 Q745 E746	R738-D742 IonicContact NE-OD2 2.68Å; R738-D742 WeakPolarHBondContact O-CB 3.31Å; R738-D742 VanDerWaalsContact O-CG 3.25Å; R738-D742 PolarHBondContact O-N 2.93Å; E739-D742 PolarHBondContact O-N 3.37Å; R740-D742 VanDerWaalsContact C-N 3.35Å; D742-F744 PolarHBondContact O-N 3.08Å; D742-Q745 PolarHBondContact O-N 3.33Å; D742-E746 WeakPolarHBondContact O-CB 3.18Å; D742-E746 PolarHBondContact O-N 2.94Å
743	D	97.8	Very high	95.1	Very high	10 Å²	10	55.3 Å²	55.3	5%	0.053	28%	0.275	C	S	.	.	H	α-helix	trans	-55.7	-50.9	172.6	-79.5	-36.2	0	0	0	110.8	T700 F730 T731 E739 R740 Q745 E746 I747	T700-D743 WeakPolarHBondContact CB-OD1 3.28Å; T700-D743 PolarHBondContact OG1-OD1 2.88Å; F730-D743 HydrophobicContact CB-CB 4.43Å; F730-D743 HydrophobicContact CD1-CB 3.93Å; F730-D743 HydrophobicContact CE1-CB 4.44Å; F730-D743 HydrophobicContact CG-CB 4.23Å; T731-D743 VanDerWaalsContact CB-OD2 3.32Å; T731-D743 WeakPolarHBondContact CB-OD2 3.46Å; T731-D743 PolarHBondContact N-OD2 3Å; T731-D743 PolarHBondContact OG1-OD2 3.31Å; E739-D743 WeakPolarHBondContact O-CB 3.47Å; E739-D743 VanDerWaalsContact O-CG 3.29Å; E739-D743 PolarHBondContact O-N 3.31Å; R740-D743 WeakPolarHBondContact O-CB 3.39Å; R740-D743 PolarHBondContact O-N 2.91Å; D743-Q745 PolarHBondContact O-N 3.41Å; D743-E746 PolarHBondContact O-N 3.12Å; D743-I747 WeakPolarHBondContact O-CB 3.37Å; D743-I747 VanDerWaalsContact O-CD1 3.29Å; D743-I747 WeakPolarHBondContact O-CD1 3.39Å; D743-I747 WeakPolarHBondContact O-CG1 3.46Å; D743-I747 PolarHBondContact O-N 3.47Å
744	F	97.9	Very high	94.6	Very high	18 Å²	18	57.7 Å²	57.7	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-58.3	-48.4	178.1	168.7	-97.4	0	0	0	112.2	F730 R740 N741 D742 I747 C748 W767 V809 F810	F730-F744 HydrophobicContact CE2-CB 4.39Å; F730-F744 HydrophobicContact CZ-CB 4.15Å; R740-F744 PolarHBondContact O-N 3.27Å; N741-F744 PolarHBondContact O-N 2.98Å; D742-F744 PolarHBondContact O-N 3.08Å; F744-I747 PolarHBondContact O-N 2.92Å; F744-C748 VanDerWaalsContact CZ-SG 3.6Å; F744-C748 PolarHBondContact O-N 3.23Å; F744-C748 PolarHBondContact O-SG 3.06Å; F744-W767 AromaticContact CD2-CH2 3.92Å; F744-W767 HydrophobicContact CD2-CH2 3.92Å; F744-W767 HydrophobicContact CD2-CZ2 4.26Å; F744-W767 HydrophobicContact CD2-CZ3 4.27Å; F744-W767 HydrophobicContact CE2-CE3 4.38Å; F744-W767 AromaticContact CE2-CH2 3.95Å; F744-W767 HydrophobicContact CE2-CH2 3.95Å; F744-W767 AromaticContact CE2-CZ3 3.83Å; F744-W767 HydrophobicContact CE2-CZ3 3.83Å; F744-V809 HydrophobicContact CB-CG1 4.11Å; F744-V809 HydrophobicContact CD1-CB 3.85Å; F744-V809 HydrophobicContact CD1-CG1 3.71Å; F744-V809 HydrophobicContact CE1-CB 4.18Å; F744-V809 HydrophobicContact CE1-CG1 4.45Å; F744-V809 HydrophobicContact CG-CB 4.18Å; F744-V809 HydrophobicContact CG-CG1 4.04Å; F744-F810 HydrophobicContact CD2-CD1 4.15Å; F744-F810 HydrophobicContact CD2-CD2 4.25Å; F744-F810 AromaticContact CD2-CE1 3.84Å; F744-F810 HydrophobicContact CD2-CE1 3.84Å; F744-F810 AromaticContact CD2-CE2 3.95Å; F744-F810 HydrophobicContact CD2-CE2 3.95Å; F744-F810 HydrophobicContact CD2-CG 4.35Å; F744-F810 AromaticContact CD2-CZ 3.73Å; F744-F810 HydrophobicContact CD2-CZ 3.73Å; F744-F810 AromaticContact CE2-CD1 3.57Å; F744-F810 HydrophobicContact CE2-CD1 3.57Å; F744-F810 HydrophobicContact CE2-CD2 4.26Å; F744-F810 AromaticContact CE2-CE1 3.63Å; F744-F810 HydrophobicContact CE2-CE1 3.63Å; F744-F810 HydrophobicContact CE2-CE2 4.31Å; F744-F810 AromaticContact CE2-CG 3.91Å; F744-F810 HydrophobicContact CE2-CG 3.91Å; F744-F810 HydrophobicContact CE2-CZ 4.02Å; F744-F810 HydrophobicContact CZ-CD1 4.31Å; F744-F810 HydrophobicContact CZ-CG 4.37Å
745	Q	96.2	Very high	93.5	Very high	101 Å²	101	59 Å²	59	47%	0.472	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-43.5	-179.9	-70.8	176.6	13.5	0	0	111.4	N741 D742 D743 I747 C748 R749	N741-Q745 WeakPolarHBondContact O-CG 3.11Å; N741-Q745 PolarHBondContact O-N 3.27Å; D742-Q745 PolarHBondContact O-N 3.33Å; D743-Q745 PolarHBondContact O-N 3.41Å; Q745-I747 PolarHBondContact O-N 2.79Å; Q745-C748 PolarHBondContact O-N 3.37Å; Q745-R749 VanDerWaalsContact O-CB 3.28Å; Q745-R749 WeakPolarHBondContact O-CB 3.47Å; Q745-R749 PolarHBondContact O-N 2.68Å
746	E	95	Very high	92.4	Very high	50 Å²	50	55.8 Å²	55.8	23%	0.234	28%	0.281	C	S	.	.	H	α-helix	trans	-66.3	-38.3	179.9	-174.8	68	168.3	0	0	111.8	T700 D742 D743 R749 R750	T700-E746 HydrophobicContact CG2-CB 4.35Å; T700-E746 HydrophobicContact CG2-CG 4.24Å; D742-E746 WeakPolarHBondContact O-CB 3.18Å; D742-E746 PolarHBondContact O-N 2.94Å; D743-E746 PolarHBondContact O-N 3.12Å; E746-R749 VanDerWaalsContact CD-NH2 3.27Å; E746-R749 PolarHBondContact O-N 2.94Å; E746-R749 IonicContact OE1-NH2 3.8Å; E746-R749 PolarHBondContact OE1-NH2 2.78Å; E746-R749 IonicContact OE2-CZ 3.63Å; E746-R749 IonicContact OE2-NE 3.49Å; E746-R749 PolarHBondContact OE2-NE 3.42Å; E746-R749 IonicContact OE2-NH2 3.3Å; E746-R749 PolarHBondContact OE2-NH2 3.49Å; E746-R750 WeakPolarHBondContact O-CB 3.25Å; E746-R750 PolarHBondContact O-N 3.49Å; E746-R750 WeakPolarHBondContact OE1-CD 3.37Å; E746-R750 IonicContact OE1-CZ 3.55Å; E746-R750 IonicContact OE1-NE 3.47Å; E746-R750 IonicContact OE1-NH1 2.74Å; E746-R750 PolarHBondContact OE1-NH1 2.85Å
747	I	97.1	Very high	91.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-49.4	172.8	-70	157.5	0	0	0	110.5	V698 T700 A711 F730 D743 F744 Q745 R749 R750 L751 I759 W767	V698-I747 HydrophobicContact CG1-CG1 4.46Å; T700-I747 HydrophobicContact CG2-CD1 4.25Å; T700-I747 HydrophobicContact CG2-CG1 3.81Å; A711-I747 HydrophobicContact CB-CB 4.42Å; A711-I747 HydrophobicContact CB-CD1 3.7Å; A711-I747 HydrophobicContact CB-CG1 3.87Å; A711-I747 HydrophobicContact CB-CG2 3.63Å; F730-I747 HydrophobicContact CD1-CD1 4.15Å; F730-I747 HydrophobicContact CE1-CD1 3.51Å; F730-I747 HydrophobicContact CZ-CD1 4.48Å; D743-I747 WeakPolarHBondContact O-CB 3.37Å; D743-I747 VanDerWaalsContact O-CD1 3.29Å; D743-I747 WeakPolarHBondContact O-CD1 3.39Å; D743-I747 WeakPolarHBondContact O-CG1 3.46Å; D743-I747 PolarHBondContact O-N 3.47Å; F744-I747 PolarHBondContact O-N 2.92Å; Q745-I747 PolarHBondContact O-N 2.79Å; I747-R749 PolarHBondContact O-N 2.84Å; I747-R750 PolarHBondContact O-N 3.36Å; I747-L751 HydrophobicContact CG2-CB 4.35Å; I747-L751 HydrophobicContact CG2-CD1 4.25Å; I747-L751 WeakPolarHBondContact O-CB 3.41Å; I747-L751 PolarHBondContact O-N 3.38Å; I747-I759 HydrophobicContact CG2-CD1 3.75Å; I747-W767 HydrophobicContact CB-CH2 4.29Å; I747-W767 HydrophobicContact CB-CZ2 4.36Å; I747-W767 HydrophobicContact CD1-CZ2 4.45Å; I747-W767 HydrophobicContact CG2-CH2 3.61Å; I747-W767 HydrophobicContact CG2-CZ2 3.69Å
748	C	94.8	Very high	91.4	Very high	27 Å²	27	55.9 Å²	55.9	18%	0.182	28%	0.278	C	S	.	.	H	α-helix	trans	-58.9	-36.2	178.3	-70.1	0	0	0	0	112.2	F744 Q745	F744-C748 VanDerWaalsContact CZ-SG 3.6Å; F744-C748 PolarHBondContact O-N 3.23Å; F744-C748 PolarHBondContact O-SG 3.06Å; Q745-C748 PolarHBondContact O-N 3.37Å
749	R	90.7	Very high	91.2	Very high	175 Å²	175	47 Å²	47	66%	0.66	25%	0.245	S	C	*	.	H	α-helix	trans	-77.2	-40.4	-178.4	-168.6	-173.8	70.5	82.8	-4.4	113.4	Q745 E746 I747	Q745-R749 VanDerWaalsContact O-CB 3.28Å; Q745-R749 WeakPolarHBondContact O-CB 3.47Å; Q745-R749 PolarHBondContact O-N 2.68Å; E746-R749 VanDerWaalsContact CD-NH2 3.27Å; E746-R749 PolarHBondContact O-N 2.94Å; E746-R749 IonicContact OE1-NH2 3.8Å; E746-R749 PolarHBondContact OE1-NH2 2.78Å; E746-R749 IonicContact OE2-CZ 3.63Å; E746-R749 IonicContact OE2-NE 3.49Å; E746-R749 PolarHBondContact OE2-NE 3.42Å; E746-R749 IonicContact OE2-NH2 3.3Å; E746-R749 PolarHBondContact OE2-NH2 3.49Å; I747-R749 PolarHBondContact O-N 2.84Å
750	R	91.6	Very high	91	Very high	96 Å²	96	45.9 Å²	45.9	36%	0.362	24%	0.241	S	C	.	.	H	α-helix	trans	-99.6	-21.5	-172.3	-77.5	170.5	62.7	-172.8	-2.9	115	V698 E746 I747 S752	V698-R750 HydrophobicContact CG1-CB 3.97Å; V698-R750 HydrophobicContact CG2-CB 3.98Å; E746-R750 WeakPolarHBondContact O-CB 3.25Å; E746-R750 PolarHBondContact O-N 3.49Å; E746-R750 WeakPolarHBondContact OE1-CD 3.37Å; E746-R750 IonicContact OE1-CZ 3.55Å; E746-R750 IonicContact OE1-NE 3.47Å; E746-R750 IonicContact OE1-NH1 2.74Å; E746-R750 PolarHBondContact OE1-NH1 2.85Å; I747-R750 PolarHBondContact O-N 3.36Å; R750-S752 PolarHBondContact O-N 2.93Å
751	L	92.9	Very high	90.7	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	25%	0.248	C	C	.	.			trans	-75.7	100.5	-177	-162.4	151.5	0	0	0	108.9	V698 A711 A713 I747 L753 I759	V698-L751 VanDerWaalsContact CG2-CA 3.42Å; V698-L751 HydrophobicContact CG2-CB 3.58Å; V698-L751 HydrophobicContact CG2-CD1 4.29Å; V698-L751 HydrophobicContact CG2-CG 3.98Å; A711-L751 HydrophobicContact CB-CD1 4.31Å; A713-L751 HydrophobicContact CB-CD1 3.84Å; A713-L751 HydrophobicContact CB-CD2 3.79Å; A713-L751 HydrophobicContact CB-CG 4.46Å; I747-L751 HydrophobicContact CG2-CB 4.35Å; I747-L751 HydrophobicContact CG2-CD1 4.25Å; I747-L751 WeakPolarHBondContact O-CB 3.41Å; I747-L751 PolarHBondContact O-N 3.38Å; L751-L753 HydrophobicContact CD2-CD1 4.17Å; L751-L753 HydrophobicContact CD2-CD2 4.46Å; L751-L753 HydrophobicContact CD2-CG 3.99Å; L751-I759 HydrophobicContact CB-CD1 3.95Å; L751-I759 HydrophobicContact CB-CG1 4.21Å; L751-I759 HydrophobicContact CD1-CD1 4.11Å; L751-I759 HydrophobicContact CD2-CD1 4.2Å; L751-I759 HydrophobicContact CD2-CG1 3.75Å; L751-I759 HydrophobicContact CG-CD1 4.29Å; L751-I759 HydrophobicContact CG-CG1 4.36Å
752	S	88.4	Confident	90.5	Very high	71 Å²	71	46.2 Å²	46.2	50%	0.497	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	136.2	176.6	-171.2	0	0	0	0	110.2	S696 R750	S696-S752 VanDerWaalsContact CB-O 3.25Å; S696-S752 WeakPolarHBondContact CB-O 3.43Å; S696-S752 PolarHBondContact OG-O 3.39Å; R750-S752 PolarHBondContact O-N 2.93Å
753	L	88.9	Confident	90.4	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	163.8	172.6	-69.4	158.4	0	0	0	108.3	R715 L751 G756 R757 H762	R715-L753 HydrophobicContact CB-CD1 4.2Å; R715-L753 HydrophobicContact CG-CD1 4.02Å; R715-L753 HydrophobicContact CG-CD2 3.85Å; R715-L753 HydrophobicContact CG-CG 4.35Å; L751-L753 HydrophobicContact CD2-CD1 4.17Å; L751-L753 HydrophobicContact CD2-CD2 4.46Å; L751-L753 HydrophobicContact CD2-CG 3.99Å; L753-G756 PolarHBondContact O-N 3.4Å; L753-R757 HydrophobicContact CB-CB 4.16Å; L753-R757 PolarHBondContact N-O 3.45Å; L753-R757 PolarHBondContact O-N 2.93Å; L753-H762 VanDerWaalsContact CD1-CE1 3.45Å; L753-H762 WeakPolarHBondContact CD1-CE1 3.43Å
754	P	81.7	Confident	90.4	Very high	73 Å²	73	42.9 Å²	42.9	47%	0.474	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-51.2	151.5	-176.5	-29.7	36.9	0	0	0	114.2	A694 G756	A694-P754 HydrophobicContact CB-CG 3.58Å; P754-G756 VanDerWaalsContact C-N 3.28Å; P754-G756 PolarHBondContact O-N 2.79Å
755	N	72.2	Confident	90.4	Very high	96 Å²	96	42 Å²	42	51%	0.513	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	62.5	27.4	-177.2	-53.1	-19.2	0	0	0	114.4	R757	N755-R757 VanDerWaalsContact C-N 3.27Å; N755-R757 PolarHBondContact O-N 3.37Å
756	G	72.3	Confident	90.6	Very high	49 Å²	49	37.2 Å²	37.2	51%	0.505	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	74.2	14.3	177.3	0	0	0	0	0	114.3	L753 P754	L753-G756 PolarHBondContact O-N 3.4Å; P754-G756 VanDerWaalsContact C-N 3.28Å; P754-G756 PolarHBondContact O-N 2.79Å
757	R	83.8	Confident	90.7	Very high	10 Å²	10	34.9 Å²	34.9	4%	0.038	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	136.9	176.8	-71.9	-170	177.8	-114.9	1.8	110.5	L523 R715 L753 N755	L523-R757 HydrophobicContact CD1-CG 4.18Å; L523-R757 HydrophobicContact CD2-CG 3.83Å; L523-R757 PolarHBondContact O-NH2 3.2Å; R715-R757 VanDerWaalsContact NH2-CD 3.3Å; L753-R757 HydrophobicContact CB-CB 4.16Å; L753-R757 PolarHBondContact N-O 3.45Å; L753-R757 PolarHBondContact O-N 2.93Å; N755-R757 VanDerWaalsContact C-N 3.27Å; N755-R757 PolarHBondContact O-N 3.37Å
758	N	89.5	Confident	90.8	Very high	31 Å²	31	35 Å²	35	17%	0.166	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	174.3	165.9	64.3	36.5	0	0	0	109.9	L760 S761 H762	N758-L760 VanDerWaalsContact C-N 3.31Å; N758-L760 PolarHBondContact O-N 3.11Å; N758-L760 PolarHBondContact OD1-N 3.11Å; N758-L760 VanDerWaalsContact OD1-N 3.1Å; N758-S761 PolarHBondContact N-OG 3.1Å; N758-S761 PolarHBondContact O-N 3.22Å; N758-S761 PolarHBondContact O-OG 3.19Å; N758-S761 WeakPolarHBondContact OD1-CB 3.5Å; N758-S761 PolarHBondContact OD1-N 2.9Å; N758-H762 PolarHBondContact O-CE1 3.26Å; N758-H762 VanDerWaalsContact O-CE1 3.23Å; N758-H762 PolarHBondContact O-ND1 3.02Å; N758-H762 VanDerWaalsContact O-ND1 3.14Å
759	I	93.7	Very high	91	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-53.5	-50.3	178.7	-62.4	170.3	0	0	0	110.9	V726 I747 L751 S761 H762 V765 W767	V726-I759 HydrophobicContact CG1-CD1 4.48Å; V726-I759 HydrophobicContact CG2-CD1 4.18Å; V726-I759 HydrophobicContact CG2-CG1 4.28Å; V726-I759 HydrophobicContact CG2-CG2 3.83Å; I747-I759 HydrophobicContact CG2-CD1 3.75Å; L751-I759 HydrophobicContact CB-CD1 3.95Å; L751-I759 HydrophobicContact CB-CG1 4.21Å; L751-I759 HydrophobicContact CD1-CD1 4.11Å; L751-I759 HydrophobicContact CD2-CD1 4.2Å; L751-I759 HydrophobicContact CD2-CG1 3.75Å; L751-I759 HydrophobicContact CG-CD1 4.29Å; L751-I759 HydrophobicContact CG-CG1 4.36Å; I759-S761 PolarHBondContact O-N 2.69Å; I759-H762 PolarHBondContact O-N 2.84Å; I759-H762 PolarHBondContact O-ND1 2.76Å; I759-V765 HydrophobicContact CG2-CG1 3.56Å; I759-V765 HydrophobicContact CG2-CG2 4.25Å; I759-V765 VanDerWaalsContact O-CG2 3.22Å; I759-V765 WeakPolarHBondContact O-CG2 3.4Å; I759-W767 HydrophobicContact CD1-CH2 3.8Å; I759-W767 HydrophobicContact CD1-CZ3 3.84Å; I759-W767 HydrophobicContact CG2-CE3 4.29Å; I759-W767 HydrophobicContact CG2-CZ3 4.05Å
760	L	93	Very high	91.4	Very high	66 Å²	66	25.4 Å²	25.4	35%	0.346	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-75.5	-5.8	-170.7	-57.9	-177.6	0	0	0	114.8	N758 H762 F813 R851	N758-L760 VanDerWaalsContact C-N 3.31Å; N758-L760 PolarHBondContact O-N 3.11Å; N758-L760 PolarHBondContact OD1-N 3.11Å; N758-L760 VanDerWaalsContact OD1-N 3.1Å; L760-H762 VanDerWaalsContact C-N 3.3Å; L760-F813 HydrophobicContact CD2-CE2 3.66Å; L760-F813 HydrophobicContact CD2-CZ 3.77Å; L760-R851 PolarHBondContact O-NH1 2.66Å
761	S	90.7	Very high	91.7	Very high	20 Å²	20	20.9 Å²	20.9	14%	0.14	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-83.3	2.8	176.2	70.7	0	0	0	0	114.9	N758 I759	N758-S761 PolarHBondContact N-OG 3.1Å; N758-S761 PolarHBondContact O-N 3.22Å; N758-S761 PolarHBondContact O-OG 3.19Å; N758-S761 WeakPolarHBondContact OD1-CB 3.5Å; N758-S761 PolarHBondContact OD1-N 2.9Å; I759-S761 PolarHBondContact O-N 2.69Å
762	H	94.9	Very high	91.9	Very high	1 Å²	1	21 Å²	21	1%	0.005	13%	0.134	C	C	.	.	S	Bend	trans	-93.6	154.3	178	-62.2	76.9	0	0	0	111.1	R715 S722 C724 L753 N758 I759 L760 V765	R715-H762 PolarHBondContact NE-NE2 2.73Å; R715-H762 PolarHBondContact NH2-NE2 3.28Å; S722-H762 WeakPolarHBondContact OG-CA 3.47Å; C724-H762 HydrophobicContact CB-CB 3.94Å; L753-H762 VanDerWaalsContact CD1-CE1 3.45Å; L753-H762 WeakPolarHBondContact CD1-CE1 3.43Å; N758-H762 PolarHBondContact O-CE1 3.26Å; N758-H762 VanDerWaalsContact O-CE1 3.23Å; N758-H762 PolarHBondContact O-ND1 3.02Å; N758-H762 VanDerWaalsContact O-ND1 3.14Å; I759-H762 PolarHBondContact O-N 2.84Å; I759-H762 PolarHBondContact O-ND1 2.76Å; L760-H762 VanDerWaalsContact C-N 3.3Å; H762-V765 HydrophobicContact CB-CG2 4.13Å
763	D	95	Very high	92.4	Very high	9 Å²	9	17.6 Å²	17.6	5%	0.048	11%	0.11	C	C	.	.	S	Bend	trans	-67.1	-42.7	179.9	-56.3	-62.8	0	0	0	111.4	T721 S722 R852 V853	T721-D763 HydrophobicContact CG2-CB 4.19Å; S722-D763 WeakPolarHBondContact CA-OD2 3.39Å; S722-D763 WeakPolarHBondContact CB-OD2 3.27Å; S722-D763 PolarHBondContact N-OD2 3.06Å; S722-D763 WeakPolarHBondContact O-CB 3.31Å; S722-D763 PolarHBondContact O-N 3.44Å; S722-D763 VanDerWaalsContact O-N 3.08Å; S722-D763 PolarHBondContact OG-N 3.16Å; S722-D763 PolarHBondContact OG-OD2 3.15Å; D763-R852 CarbonylContact O-C 3.58Å; D763-R852 WeakPolarHBondContact O-CA 3.29Å; D763-V853 HydrophobicContact CB-CG1 4.3Å; D763-V853 PolarHBondContact O-N 2.75Å
764	Y	98.2	Very high	92.9	Very high	1 Å²	1	18 Å²	18	0%	0.004	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.2	170.4	-72.1	-86.7	0	0	0	110.8	T721 S722 I723 C724 F766 R851 R852 I904 E905	T721-Y764 HydrophobicContact CG2-CD2 3.71Å; T721-Y764 HydrophobicContact CG2-CE2 3.94Å; S722-Y764 PolarHBondContact O-N 3.25Å; I723-Y764 WeakPolarHBondContact CA-O 3.22Å; C724-Y764 PolarHBondContact N-O 3.32Å; Y764-F766 HydrophobicContact CD1-CE2 4.39Å; Y764-F766 HydrophobicContact CD1-CZ 4.3Å; Y764-F766 HydrophobicContact CG-CE2 4.44Å; Y764-R851 WeakPolarHBondContact CA-O 3.25Å; Y764-R852 HydrophobicContact CD1-CB 3.99Å; Y764-R852 HydrophobicContact CD1-CG 4Å; Y764-R852 HydrophobicContact CE1-CB 3.78Å; Y764-R852 HydrophobicContact CE1-CG 3.57Å; Y764-R852 HydrophobicContact CE2-CG 4.18Å; Y764-R852 HydrophobicContact CG-CG 4.48Å; Y764-R852 WeakPolarHBondContact OH-CD 3.37Å; Y764-R852 PolarHBondContact OH-NE 3.36Å; Y764-R852 VanDerWaalsContact OH-NE 3.1Å; Y764-R852 PolarHBondContact OH-NH1 2.8Å; Y764-I904 HydrophobicContact CD1-CB 4.45Å; Y764-I904 HydrophobicContact CD1-CG2 4.01Å; Y764-I904 HydrophobicContact CD2-CD1 4.05Å; Y764-I904 HydrophobicContact CE1-CB 3.86Å; Y764-I904 HydrophobicContact CE1-CG2 3.64Å; Y764-I904 HydrophobicContact CE2-CB 4.18Å; Y764-I904 HydrophobicContact CE2-CD1 4.17Å; Y764-I904 HydrophobicContact CG-CD1 4.25Å; Y764-E905 WeakPolarHBondContact CE2-O 3.34Å; Y764-E905 PolarHBondContact OH-N 3.29Å
765	V	98.5	Very high	93.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124	169.3	-177.1	0	0	0	0	108.3	C724 V726 I759 H762 F813 W850 R851	C724-V765 HydrophobicContact CB-CG2 4.47Å; C724-V765 CarbonylContact O-C 3.59Å; C724-V765 WeakPolarHBondContact O-CA 3.45Å; V726-V765 HydrophobicContact CG2-CG1 4.5Å; I759-V765 HydrophobicContact CG2-CG1 3.56Å; I759-V765 HydrophobicContact CG2-CG2 4.25Å; I759-V765 VanDerWaalsContact O-CG2 3.22Å; I759-V765 WeakPolarHBondContact O-CG2 3.4Å; H762-V765 HydrophobicContact CB-CG2 4.13Å; V765-F813 HydrophobicContact CB-CE1 4.1Å; V765-F813 HydrophobicContact CB-CZ 4.17Å; V765-F813 HydrophobicContact CG1-CE1 3.8Å; V765-F813 HydrophobicContact CG1-CZ 3.85Å; V765-W850 CarbonylContact O-C 3.55Å; V765-W850 WeakPolarHBondContact O-CA 3.27Å; V765-R851 PolarHBondContact N-O 2.84Å; V765-R851 PolarHBondContact O-N 3.38Å
766	F	98.9	Very high	94.8	Very high	1 Å²	1	13.9 Å²	13.9	0%	0.004	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.7	170.1	-65.7	-84.6	0	0	0	108.2	L559 V561 I723 C724 F725 V726 Y764 W850 F902 I904	L559-F766 HydrophobicContact CD1-CD1 4.15Å; L559-F766 HydrophobicContact CD1-CE1 3.72Å; L559-F766 HydrophobicContact CD1-CE2 4.14Å; L559-F766 HydrophobicContact CD1-CZ 3.72Å; L559-F766 HydrophobicContact CD2-CE1 4.42Å; L559-F766 HydrophobicContact CD2-CE2 3.72Å; L559-F766 HydrophobicContact CD2-CZ 3.6Å; L559-F766 HydrophobicContact CG-CZ 4.27Å; V561-F766 HydrophobicContact CG2-CB 4.06Å; V561-F766 HydrophobicContact CG2-CD1 3.86Å; V561-F766 HydrophobicContact CG2-CG 4.02Å; I723-F766 HydrophobicContact CG2-CD2 4.16Å; I723-F766 HydrophobicContact CG2-CE2 4.18Å; C724-F766 PolarHBondContact O-N 3.22Å; F725-F766 CarbonylContact C-O 3.42Å; F725-F766 WeakPolarHBondContact CA-O 3.29Å; F725-F766 HydrophobicContact CD1-CB 3.57Å; F725-F766 HydrophobicContact CD1-CD2 4.04Å; F725-F766 HydrophobicContact CD1-CG 4.07Å; F725-F766 HydrophobicContact CE1-CB 3.82Å; F725-F766 AromaticContact CE1-CD2 3.51Å; F725-F766 HydrophobicContact CE1-CD2 3.51Å; F725-F766 HydrophobicContact CE1-CE2 4.31Å; F725-F766 AromaticContact CE1-CG 3.78Å; F725-F766 HydrophobicContact CE1-CG 3.78Å; F725-F766 AromaticContact CZ-CD2 3.98Å; F725-F766 HydrophobicContact CZ-CD2 3.98Å; F725-F766 HydrophobicContact CZ-CE2 4.47Å; V726-F766 PolarHBondContact N-O 3.36Å; Y764-F766 HydrophobicContact CD1-CE2 4.39Å; Y764-F766 HydrophobicContact CD1-CZ 4.3Å; Y764-F766 HydrophobicContact CG-CE2 4.44Å; F766-W850 HydrophobicContact CD1-CB 3.54Å; F766-W850 HydrophobicContact CD1-CG 4.46Å; F766-W850 HydrophobicContact CE1-CB 3.67Å; F766-W850 HydrophobicContact CE1-CG 4.18Å; F766-W850 HydrophobicContact CG-CB 4.37Å; F766-F902 HydrophobicContact CD1-CD2 4.27Å; F766-F902 HydrophobicContact CD1-CE2 4.02Å; F766-F902 HydrophobicContact CD1-CZ 4.27Å; F766-F902 HydrophobicContact CE1-CB 4.39Å; F766-F902 HydrophobicContact CE1-CD1 4.04Å; F766-F902 AromaticContact CE1-CD2 3.78Å; F766-F902 HydrophobicContact CE1-CD2 3.78Å; F766-F902 HydrophobicContact CE1-CE1 4.22Å; F766-F902 AromaticContact CE1-CE2 3.94Å; F766-F902 HydrophobicContact CE1-CE2 3.94Å; F766-F902 AromaticContact CE1-CG 3.81Å; F766-F902 HydrophobicContact CE1-CG 3.81Å; F766-F902 HydrophobicContact CE1-CZ 4.16Å; F766-I904 HydrophobicContact CZ-CG2 3.87Å
767	W	98.8	Very high	96	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	116.1	-177.7	-157.1	-41.6	0	0	0	109.1	V726 S728 F730 F744 I747 I759 F771 F810 F813 I848 L849	V726-W767 HydrophobicContact CB-CB 4.49Å; V726-W767 HydrophobicContact CB-CD2 3.84Å; V726-W767 HydrophobicContact CB-CE3 4.32Å; V726-W767 HydrophobicContact CB-CG 3.92Å; V726-W767 HydrophobicContact CG1-CD2 3.83Å; V726-W767 VanDerWaalsContact CG1-CE2 3.49Å; V726-W767 HydrophobicContact CG1-CE3 4.38Å; V726-W767 HydrophobicContact CG1-CG 4.23Å; V726-W767 HydrophobicContact CG1-CH2 4.38Å; V726-W767 HydrophobicContact CG1-CZ2 3.81Å; V726-W767 HydrophobicContact CG2-CD2 4.41Å; V726-W767 HydrophobicContact CG2-CE3 4.39Å; V726-W767 CarbonylContact O-C 3.57Å; V726-W767 WeakPolarHBondContact O-CA 3.15Å; S728-W767 PolarHBondContact OG-NE1 3.31Å; F730-W767 HydrophobicContact CZ-CZ2 4.4Å; F744-W767 AromaticContact CD2-CH2 3.92Å; F744-W767 HydrophobicContact CD2-CH2 3.92Å; F744-W767 HydrophobicContact CD2-CZ2 4.26Å; F744-W767 HydrophobicContact CD2-CZ3 4.27Å; F744-W767 HydrophobicContact CE2-CE3 4.38Å; F744-W767 AromaticContact CE2-CH2 3.95Å; F744-W767 HydrophobicContact CE2-CH2 3.95Å; F744-W767 AromaticContact CE2-CZ3 3.83Å; F744-W767 HydrophobicContact CE2-CZ3 3.83Å; I747-W767 HydrophobicContact CB-CH2 4.29Å; I747-W767 HydrophobicContact CB-CZ2 4.36Å; I747-W767 HydrophobicContact CD1-CZ2 4.45Å; I747-W767 HydrophobicContact CG2-CH2 3.61Å; I747-W767 HydrophobicContact CG2-CZ2 3.69Å; I759-W767 HydrophobicContact CD1-CH2 3.8Å; I759-W767 HydrophobicContact CD1-CZ3 3.84Å; I759-W767 HydrophobicContact CG2-CE3 4.29Å; I759-W767 HydrophobicContact CG2-CZ3 4.05Å; W767-F771 AromaticContact CD1-CE1 3.58Å; W767-F771 AromaticContact CD1-CZ 3.49Å; W767-F771 VanDerWaalsContact CD1-CZ 3.49Å; W767-F771 HydrophobicContact CG-CZ 4.28Å; W767-F771 AromaticContact NE1-CE1 3.76Å; W767-F810 HydrophobicContact CB-CE1 4.2Å; W767-F810 AromaticContact CD2-CE1 3.71Å; W767-F810 HydrophobicContact CD2-CE1 3.71Å; W767-F810 HydrophobicContact CD2-CZ 4.4Å; W767-F810 AromaticContact CE3-CE1 3.98Å; W767-F810 HydrophobicContact CE3-CE1 3.98Å; W767-F810 AromaticContact CG-CE1 3.81Å; W767-F810 HydrophobicContact CG-CE1 3.81Å; W767-F810 HydrophobicContact CG-CZ 4.45Å; W767-F813 HydrophobicContact CB-CE1 4.23Å; W767-F813 HydrophobicContact CE3-CE1 4.41Å; W767-F813 HydrophobicContact CE3-CZ 4.19Å; W767-I848 WeakPolarHBondContact O-CA 3.43Å; W767-L849 PolarHBondContact N-O 3.26Å; W767-L849 PolarHBondContact O-N 3.41Å
768	C	98.8	Very high	96.6	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.014	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	167	174.4	69.7	0	0	0	0	111.4	V561 T563 V726 C727 S728 F771 R847 I848	V561-C768 HydrophobicContact CG1-CB 3.91Å; T563-C768 HydrophobicContact CG2-CB 4.3Å; V726-C768 PolarHBondContact O-N 2.93Å; C727-C768 VanDerWaalsContact CA-O 3.24Å; C727-C768 WeakPolarHBondContact CA-O 3.42Å; S728-C768 PolarHBondContact N-O 3.41Å; S728-C768 VanDerWaalsContact N-O 3.08Å; C768-F771 WeakPolarHBondContact O-CE1 3.25Å; C768-R847 VanDerWaalsContact CA-O 3.23Å; C768-R847 WeakPolarHBondContact CA-O 3.18Å; C768-I848 HydrophobicContact CB-CG1 3.92Å
769	G	98.6	Very high	96.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.8	177.4	167.7	0	0	0	0	0	115	T563 E624 S728 F771 D846 R847	T563-G769 WeakPolarHBondContact OG1-CA 3.4Å; T563-G769 PolarHBondContact OG1-N 2.95Å; E624-G769 WeakPolarHBondContact OE1-CA 3.2Å; S728-G769 CarbonylContact O-C 3.49Å; S728-G769 VanDerWaalsContact O-CA 3.27Å; S728-G769 WeakPolarHBondContact O-CA 3.34Å; G769-F771 PolarHBondContact O-N 3.1Å; G769-D846 WeakPolarHBondContact O-CA 3.25Å; G769-R847 PolarHBondContact N-O 3.39Å; G769-R847 VanDerWaalsContact N-O 3.16Å; G769-R847 PolarHBondContact O-N 2.97Å
770	D	98.4	Very high	96.9	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.011	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	88.6	162.6	-177.1	-4.2	0	0	0	109.9	N565 E624 S728 H729 F730 N772 T845 H895	N565-D770 PolarHBondContact ND2-OD2 3.01Å; E624-D770 HydrophobicContact CB-CB 4.27Å; E624-D770 HydrophobicContact CG-CB 3.83Å; E624-D770 PolarHBondContact OE1-N 2.98Å; S728-D770 PolarHBondContact O-N 3.4Å; S728-D770 VanDerWaalsContact O-N 3.08Å; H729-D770 WeakPolarHBondContact CA-O 3.34Å; H729-D770 IonicContact NE2-OD2 2.89Å; F730-D770 PolarHBondContact N-O 3.45Å; D770-N772 PolarHBondContact O-N 3.06Å; D770-N772 WeakPolarHBondContact OD1-CA 3.43Å; D770-N772 PolarHBondContact OD1-N 2.84Å; D770-N772 PolarHBondContact OD1-ND2 2.81Å; D770-N772 PolarHBondContact OD2-ND2 2.86Å; D770-N772 VanDerWaalsContact OD2-ND2 3.15Å; D770-T845 CarbonylContact C-O 3.45Å; D770-T845 WeakPolarHBondContact CA-O 3.37Å; D770-T845 WeakPolarHBondContact OD1-CB 3.44Å; D770-H895 IonicContact OD2-CE1 3.19Å; D770-H895 PolarHBondContact OD2-CE1 2.7Å; D770-H895 IonicContact OD2-NE2 3.34Å
771	F	98.6	Very high	97.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.128	C	C	.	.			trans	-77.8	-7.6	177.5	-57.6	-20.9	0	0	0	113.1	F730 R740 W767 C768 G769 Y773 L800 F810 T845 R847 L849	F730-F771 WeakPolarHBondContact CB-O 3.24Å; F730-F771 HydrophobicContact CD2-CB 3.69Å; F730-F771 AromaticContact CD2-CD1 3.99Å; F730-F771 HydrophobicContact CD2-CD1 3.99Å; F730-F771 HydrophobicContact CD2-CG 4.05Å; F730-F771 HydrophobicContact CE2-CB 4Å; F730-F771 AromaticContact CE2-CD1 3.72Å; F730-F771 HydrophobicContact CE2-CD1 3.72Å; F730-F771 HydrophobicContact CE2-CE1 4.4Å; F730-F771 AromaticContact CE2-CG 3.88Å; F730-F771 HydrophobicContact CE2-CG 3.88Å; F730-F771 HydrophobicContact CZ-CD1 4.01Å; F730-F771 HydrophobicContact CZ-CE1 4.35Å; R740-F771 WeakPolarHBondContact CD-O 3.25Å; W767-F771 AromaticContact CD1-CE1 3.58Å; W767-F771 AromaticContact CD1-CZ 3.49Å; W767-F771 VanDerWaalsContact CD1-CZ 3.49Å; W767-F771 HydrophobicContact CG-CZ 4.28Å; W767-F771 AromaticContact NE1-CE1 3.76Å; C768-F771 WeakPolarHBondContact O-CE1 3.25Å; G769-F771 PolarHBondContact O-N 3.1Å; F771-Y773 HydrophobicContact CB-CD2 3.73Å; F771-Y773 HydrophobicContact CB-CE2 4.17Å; F771-Y773 WeakPolarHBondContact O-CD2 3.2Å; F771-Y773 PolarHBondContact O-N 2.91Å; F771-L800 HydrophobicContact CD2-CD2 3.87Å; F771-F810 HydrophobicContact CD2-CE2 4.41Å; F771-F810 HydrophobicContact CD2-CZ 4.31Å; F771-F810 HydrophobicContact CE1-CZ 4.45Å; F771-F810 HydrophobicContact CE2-CE2 4.34Å; F771-F810 AromaticContact CE2-CZ 3.89Å; F771-F810 HydrophobicContact CE2-CZ 3.89Å; F771-F810 AromaticContact CZ-CZ 3.97Å; F771-F810 HydrophobicContact CZ-CZ 3.97Å; F771-T845 PolarHBondContact N-O 2.97Å; F771-R847 HydrophobicContact CD2-CB 3.61Å; F771-R847 HydrophobicContact CD2-CG 3.96Å; F771-R847 HydrophobicContact CE2-CB 3.62Å; F771-R847 HydrophobicContact CE2-CG 4.46Å; F771-L849 HydrophobicContact CD2-CD1 4.32Å; F771-L849 HydrophobicContact CE2-CD1 3.5Å; F771-L849 VanDerWaalsContact CE2-CD1 3.5Å; F771-L849 HydrophobicContact CZ-CD1 4.38Å
772	N	98.1	Very high	97.4	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.021	12%	0.121	C	C	.	.			trans	58.1	7.7	173.3	-93.8	-73.6	0	0	0	116.8	H729 F730 T731 R740 D770 R774 T845	H729-N772 PolarHBondContact CD2-ND2 2.88Å; H729-N772 VanDerWaalsContact CD2-ND2 3.31Å; H729-N772 PolarHBondContact NE2-ND2 3.43Å; F730-N772 PolarHBondContact O-ND2 3.43Å; F730-N772 VanDerWaalsContact O-ND2 3.12Å; T731-N772 WeakPolarHBondContact O-CB 3.36Å; R740-N772 PolarHBondContact NH1-O 2.9Å; D770-N772 PolarHBondContact O-N 3.06Å; D770-N772 WeakPolarHBondContact OD1-CA 3.43Å; D770-N772 PolarHBondContact OD1-N 2.84Å; D770-N772 PolarHBondContact OD1-ND2 2.81Å; D770-N772 PolarHBondContact OD2-ND2 2.86Å; D770-N772 VanDerWaalsContact OD2-ND2 3.15Å; N772-R774 VanDerWaalsContact O-CD 3.31Å; N772-R774 WeakPolarHBondContact O-CD 3.46Å; N772-R774 WeakPolarHBondContact O-CG 3.29Å; N772-R774 PolarHBondContact O-NE 2.88Å; N772-R774 PolarHBondContact OD1-NH2 3.47Å; N772-T845 PolarHBondContact N-O 2.93Å
773	Y	98.6	Very high	97.5	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	13%	0.134	C	C	.	.			trans	-62.4	143.6	171.8	-74.6	-84.8	0	0	0	110.4	F730 V737 R740 N741 F771 Q799 L800 E803	F730-Y773 HydrophobicContact CD2-CE2 4.07Å; F730-Y773 HydrophobicContact CE2-CE2 4.27Å; V737-Y773 HydrophobicContact CG1-CE1 4.48Å; R740-Y773 HydrophobicContact CB-CE1 3.96Å; R740-Y773 HydrophobicContact CB-CE2 4.06Å; N741-Y773 PolarHBondContact OD1-OH 3.12Å; F771-Y773 HydrophobicContact CB-CD2 3.73Å; F771-Y773 HydrophobicContact CB-CE2 4.17Å; F771-Y773 WeakPolarHBondContact O-CD2 3.2Å; F771-Y773 PolarHBondContact O-N 2.91Å; Y773-Q799 HydrophobicContact CD1-CB 3.73Å; Y773-Q799 HydrophobicContact CG-CB 4.44Å; Y773-L800 HydrophobicContact CD1-CB 4.19Å; Y773-L800 HydrophobicContact CD2-CB 3.77Å; Y773-L800 HydrophobicContact CD2-CD1 3.87Å; Y773-L800 HydrophobicContact CD2-CD2 4.39Å; Y773-L800 HydrophobicContact CD2-CG 4.21Å; Y773-L800 HydrophobicContact CE2-CB 4.38Å; Y773-L800 HydrophobicContact CE2-CD1 3.66Å; Y773-L800 HydrophobicContact CE2-CG 4.49Å; Y773-L800 HydrophobicContact CG-CB 3.65Å; Y773-L800 HydrophobicContact CG-CD1 4.48Å; Y773-E803 HydrophobicContact CE1-CB 4.46Å; Y773-E803 HydrophobicContact CE1-CG 4.15Å
774	R	97.9	Very high	97.6	Very high	13 Å²	13	29 Å²	29	5%	0.049	15%	0.152	C	C	.	.			trans	-115.7	173.3	-171.1	-51.5	-57.7	179.3	150.1	-8.9	111.4	Q734 N772 Q799	Q734-R774 VanDerWaalsContact OE1-CB 3.24Å; N772-R774 VanDerWaalsContact O-CD 3.31Å; N772-R774 WeakPolarHBondContact O-CD 3.46Å; N772-R774 WeakPolarHBondContact O-CG 3.29Å; N772-R774 PolarHBondContact O-NE 2.88Å; N772-R774 PolarHBondContact OD1-NH2 3.47Å; R774-Q799 VanDerWaalsContact O-CB 3.26Å; R774-Q799 WeakPolarHBondContact O-CB 3.29Å; R774-Q799 WeakPolarHBondContact O-CG 3.4Å; R774-Q799 PolarHBondContact O-N 2.99Å
775	I	98.2	Very high	97.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-101.8	129.4	175.3	-56.6	176.8	0	0	0	108.3	Q734 L777 V782 L794 Y797 P822 A843 W844	Q734-I775 PolarHBondContact NE2-O 2.76Å; I775-L777 HydrophobicContact CG2-CB 4.17Å; I775-L777 HydrophobicContact CG2-CD1 4.13Å; I775-L777 HydrophobicContact CG2-CG 4.18Å; I775-L777 PolarHBondContact O-N 2.88Å; I775-V782 HydrophobicContact CB-CG2 4.15Å; I775-V782 HydrophobicContact CD1-CG1 4.06Å; I775-V782 HydrophobicContact CG2-CG2 3.94Å; I775-L794 HydrophobicContact CD1-CD2 4.27Å; I775-L794 HydrophobicContact CG2-CD2 4.43Å; I775-Y797 CarbonylContact C-O 3.41Å; I775-Y797 WeakPolarHBondContact CA-O 3.34Å; I775-P822 HydrophobicContact CD1-CG 4.38Å; I775-A843 HydrophobicContact CG1-CB 4.47Å; I775-W844 HydrophobicContact CD1-CE3 3.75Å; I775-W844 HydrophobicContact CD1-CZ3 3.83Å; I775-W844 HydrophobicContact CG1-CE3 4.33Å
776	N	97.3	Very high	97.4	Very high	81 Å²	81	29.8 Å²	29.8	43%	0.433	16%	0.157	S	C	.	.	S	Bend	trans	-79	52.1	-179.4	-69	-26.5	0	0	0	112.1	Y797 Q799	N776-Y797 PolarHBondContact N-O 2.93Å; N776-Q799 WeakPolarHBondContact OD1-CG 3.24Å; N776-Q799 PolarHBondContact OD1-NE2 2.7Å
777	L	96.9	Very high	97.2	Very high	40 Å²	40	35.3 Å²	35.3	21%	0.209	19%	0.191	C	C	.	.	S	Bend	trans	-137.7	162.4	176.2	-70.1	175.1	0	0	0	110.1	I775 E781 V782 L785 L794 Y797	I775-L777 HydrophobicContact CG2-CB 4.17Å; I775-L777 HydrophobicContact CG2-CD1 4.13Å; I775-L777 HydrophobicContact CG2-CG 4.18Å; I775-L777 PolarHBondContact O-N 2.88Å; L777-E781 HydrophobicContact CD1-CG 4.16Å; L777-E781 HydrophobicContact CD2-CG 4.38Å; L777-V782 HydrophobicContact CB-CG2 3.68Å; L777-L785 HydrophobicContact CD1-CD1 3.9Å; L777-L794 HydrophobicContact CD1-CD2 4.23Å; L777-Y797 HydrophobicContact CD1-CD2 3.62Å; L777-Y797 HydrophobicContact CD1-CE2 4.2Å; L777-Y797 HydrophobicContact CD1-CG 3.93Å; L777-Y797 HydrophobicContact CD2-CD1 3.85Å; L777-Y797 HydrophobicContact CD2-CD2 3.99Å; L777-Y797 HydrophobicContact CD2-CE1 3.99Å; L777-Y797 HydrophobicContact CD2-CE2 4.12Å; L777-Y797 HydrophobicContact CD2-CG 3.86Å; L777-Y797 HydrophobicContact CG-CD1 4.11Å; L777-Y797 HydrophobicContact CG-CD2 3.87Å; L777-Y797 HydrophobicContact CG-CE2 4.46Å; L777-Y797 HydrophobicContact CG-CG 3.67Å
778	S	95.8	Very high	96.9	Very high	75 Å²	75	40.4 Å²	40.4	52%	0.524	22%	0.215	S	C	.	.			trans	-66.4	150.2	172.7	73.3	0	0	0	0	110.7	N780 E781 V782	S778-N780 PolarHBondContact O-N 2.96Å; S778-E781 PolarHBondContact O-N 3.2Å; S778-E781 WeakPolarHBondContact OG-CB 3.32Å; S778-E781 PolarHBondContact OG-N 2.89Å; S778-V782 WeakPolarHBondContact O-CG2 3.47Å; S778-V782 PolarHBondContact O-N 3.17Å
779	G	94.6	Very high	96.7	Very high	22 Å²	22	42.4 Å²	42.4	23%	0.227	23%	0.229	C	C	.	.	H	α-helix	trans	-55.8	-37.6	-179.4	0	0	0	0	0	113.7	V782 K783 S841	G779-V782 PolarHBondContact O-N 3.47Å; G779-K783 WeakPolarHBondContact O-CB 3.48Å; G779-K783 VanDerWaalsContact O-CG 3.27Å; G779-K783 WeakPolarHBondContact O-CG 3.43Å; G779-K783 PolarHBondContact O-N 2.9Å; G779-S841 WeakPolarHBondContact CA-OG 3.49Å
780	N	95.4	Very high	96.6	Very high	133 Å²	133	43.9 Å²	43.9	71%	0.711	24%	0.239	S	C	*	.	H	α-helix	trans	-66	-41.4	177.3	-68.3	-15.3	0	0	0	112	S778 K783 R784	S778-N780 PolarHBondContact O-N 2.96Å; N780-K783 PolarHBondContact O-N 2.93Å; N780-R784 WeakPolarHBondContact O-CB 3.46Å; N780-R784 PolarHBondContact O-N 2.82Å
781	E	97.1	Very high	96.4	Very high	60 Å²	60	44.1 Å²	44.1	28%	0.28	24%	0.24	S	C	.	.	H	α-helix	trans	-69.4	-39.4	179.3	-176	62.4	-178.1	0	0	111.5	L777 S778 R784 L785	L777-E781 HydrophobicContact CD1-CG 4.16Å; L777-E781 HydrophobicContact CD2-CG 4.38Å; S778-E781 PolarHBondContact O-N 3.2Å; S778-E781 WeakPolarHBondContact OG-CB 3.32Å; S778-E781 PolarHBondContact OG-N 2.89Å; E781-R784 PolarHBondContact O-N 3.4Å; E781-R784 IonicContact OE1-CZ 3.49Å; E781-R784 IonicContact OE1-NE 3.99Å; E781-R784 IonicContact OE1-NH2 3.85Å; E781-R784 PolarHBondContact OE1-NH2 3.46Å; E781-R784 IonicContact OE2-CZ 3.54Å; E781-R784 IonicContact OE2-NE 2.84Å; E781-R784 PolarHBondContact OE2-NE 3.12Å; E781-R784 IonicContact OE2-NH2 2.67Å; E781-L785 HydrophobicContact CG-CD1 4.2Å; E781-L785 WeakPolarHBondContact O-CG 3.26Å; E781-L785 PolarHBondContact O-N 3.25Å
782	V	97.7	Very high	96.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.3	-48.3	173.5	178	0	0	0	0	110.9	I775 L777 S778 G779 R784 L785 A786 L794 P822 P842	I775-V782 HydrophobicContact CB-CG2 4.15Å; I775-V782 HydrophobicContact CD1-CG1 4.06Å; I775-V782 HydrophobicContact CG2-CG2 3.94Å; L777-V782 HydrophobicContact CB-CG2 3.68Å; S778-V782 WeakPolarHBondContact O-CG2 3.47Å; S778-V782 PolarHBondContact O-N 3.17Å; G779-V782 PolarHBondContact O-N 3.47Å; V782-R784 VanDerWaalsContact C-N 3.32Å; V782-R784 PolarHBondContact O-N 2.95Å; V782-L785 PolarHBondContact O-N 3.25Å; V782-A786 WeakPolarHBondContact O-CB 3.4Å; V782-A786 PolarHBondContact O-N 3.23Å; V782-L794 HydrophobicContact CB-CD2 4.32Å; V782-L794 HydrophobicContact CG1-CD2 4Å; V782-L794 HydrophobicContact CG2-CD2 4.34Å; V782-P822 HydrophobicContact CG1-CG 4.46Å; V782-P842 HydrophobicContact CG1-CB 3.76Å; V782-P842 HydrophobicContact CG1-CG 4.06Å; V782-P842 WeakPolarHBondContact CG1-O 3.28Å
783	K	97	Very high	96.1	Very high	63 Å²	63	52.9 Å²	52.9	27%	0.274	29%	0.286	S	S	.	.	H	α-helix	trans	-59.2	-42.4	177.1	-72.5	177.3	-174.1	-166.9	0	111.6	G779 N780 A786 T787 Y833 P842	G779-K783 WeakPolarHBondContact O-CB 3.48Å; G779-K783 VanDerWaalsContact O-CG 3.27Å; G779-K783 WeakPolarHBondContact O-CG 3.43Å; G779-K783 PolarHBondContact O-N 2.9Å; N780-K783 PolarHBondContact O-N 2.93Å; K783-A786 PolarHBondContact O-N 3.48Å; K783-T787 WeakPolarHBondContact O-CB 3.16Å; K783-T787 PolarHBondContact O-N 2.79Å; K783-T787 PolarHBondContact O-OG1 2.88Å; K783-Y833 HydrophobicContact CG-CD2 4.1Å; K783-P842 HydrophobicContact CG-CG 3.87Å
784	R	97.3	Very high	96	Very high	110 Å²	110	52.9 Å²	52.9	42%	0.415	29%	0.286	S	S	.	.	H	α-helix	trans	-60.8	-52.5	178	-170.2	-171.5	70.8	72.6	-3	111.8	N780 E781 V782 T787 Q788	N780-R784 WeakPolarHBondContact O-CB 3.46Å; N780-R784 PolarHBondContact O-N 2.82Å; E781-R784 PolarHBondContact O-N 3.4Å; E781-R784 IonicContact OE1-CZ 3.49Å; E781-R784 IonicContact OE1-NE 3.99Å; E781-R784 IonicContact OE1-NH2 3.85Å; E781-R784 PolarHBondContact OE1-NH2 3.46Å; E781-R784 IonicContact OE2-CZ 3.54Å; E781-R784 IonicContact OE2-NE 2.84Å; E781-R784 PolarHBondContact OE2-NE 3.12Å; E781-R784 IonicContact OE2-NH2 2.67Å; V782-R784 VanDerWaalsContact C-N 3.32Å; V782-R784 PolarHBondContact O-N 2.95Å; R784-T787 PolarHBondContact O-N 2.92Å; R784-Q788 WeakPolarHBondContact O-CG 3.36Å; R784-Q788 PolarHBondContact O-N 2.81Å
785	L	96.5	Very high	95.9	Very high	10 Å²	10	53.5 Å²	53.5	5%	0.052	29%	0.29	C	S	.	.	H	α-helix	trans	-68.2	-34.7	-179.8	-69.3	171.6	0	0	0	112.3	L777 E781 V782 Q788 S789 S790 D793 L794	L777-L785 HydrophobicContact CD1-CD1 3.9Å; E781-L785 HydrophobicContact CG-CD1 4.2Å; E781-L785 WeakPolarHBondContact O-CG 3.26Å; E781-L785 PolarHBondContact O-N 3.25Å; V782-L785 PolarHBondContact O-N 3.25Å; L785-Q788 PolarHBondContact O-N 3.44Å; L785-S789 PolarHBondContact O-N 2.97Å; L785-S790 PolarHBondContact O-N 3Å; L785-D793 HydrophobicContact CD1-CB 4.44Å; L785-D793 HydrophobicContact CD2-CB 4.28Å; L785-L794 HydrophobicContact CB-CD1 4.08Å; L785-L794 HydrophobicContact CB-CD2 3.74Å; L785-L794 HydrophobicContact CB-CG 3.66Å; L785-L794 HydrophobicContact CD1-CD2 3.84Å; L785-L794 HydrophobicContact CD1-CG 4.15Å; L785-L794 HydrophobicContact CG-CD2 4.45Å
786	A	94.8	Very high	95.9	Very high	7 Å²	7	60.7 Å²	60.7	6%	0.058	32%	0.317	C	S	.	.	H	α-helix	trans	-66.4	-39.1	176.3	0	0	0	0	0	112	V782 K783 Q788 S789 W791 L794 P822	V782-A786 WeakPolarHBondContact O-CB 3.4Å; V782-A786 PolarHBondContact O-N 3.23Å; K783-A786 PolarHBondContact O-N 3.48Å; A786-Q788 PolarHBondContact O-N 2.94Å; A786-S789 PolarHBondContact O-N 2.73Å; A786-S789 VanDerWaalsContact O-N 3.1Å; A786-W791 HydrophobicContact CB-CZ3 4.19Å; A786-W791 VanDerWaalsContact O-CH2 3.3Å; A786-W791 WeakPolarHBondContact O-CH2 3.43Å; A786-L794 HydrophobicContact CB-CD1 4.12Å; A786-P822 HydrophobicContact CB-CG 4.42Å
787	T	94	Very high	95.9	Very high	117 Å²	117	61.4 Å²	61.4	72%	0.718	32%	0.315	S	S	*	.	H	α-helix	trans	-64.4	-31.4	174.5	-55.2	0	0	0	0	111.8	K783 R784 S789	K783-T787 WeakPolarHBondContact O-CB 3.16Å; K783-T787 PolarHBondContact O-N 2.79Å; K783-T787 PolarHBondContact O-OG1 2.88Å; R784-T787 PolarHBondContact O-N 2.92Å; T787-S789 PolarHBondContact O-N 2.74Å
788	Q	94.4	Very high	96	Very high	108 Å²	108	59.5 Å²	59.5	51%	0.505	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-1.4	176	-68.4	177.6	-20	0	0	113.4	R784 L785 A786 S790	R784-Q788 WeakPolarHBondContact O-CG 3.36Å; R784-Q788 PolarHBondContact O-N 2.81Å; L785-Q788 PolarHBondContact O-N 3.44Å; A786-Q788 PolarHBondContact O-N 2.94Å; Q788-S790 PolarHBondContact O-N 3.29Å
789	S	94.4	Very high	96.2	Very high	44 Å²	44	56.2 Å²	56.2	31%	0.308	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	28.7	-170.2	-58.8	0	0	0	0	113.5	L785 A786 T787 W791	L785-S789 PolarHBondContact O-N 2.97Å; A786-S789 PolarHBondContact O-N 2.73Å; A786-S789 VanDerWaalsContact O-N 3.1Å; T787-S789 PolarHBondContact O-N 2.74Å; S789-W791 VanDerWaalsContact CA-CZ2 3.5Å; S789-W791 PolarHBondContact O-N 3.23Å; S789-W791 WeakPolarHBondContact OG-CZ2 3.32Å
790	S	95.1	Very high	96.3	Very high	30 Å²	30	55.1 Å²	55.1	21%	0.21	27%	0.27	C	S	.	.			trans	-80.7	59.3	-179.1	-65.4	0	0	0	0	111.5	L785 Q788 L792 D793 L794	L785-S790 PolarHBondContact O-N 3Å; Q788-S790 PolarHBondContact O-N 3.29Å; S790-L792 VanDerWaalsContact C-N 3.34Å; S790-L792 PolarHBondContact O-N 2.76Å; S790-D793 PolarHBondContact O-N 3.4Å; S790-L794 PolarHBondContact O-N 2.87Å
791	W	95	Very high	96.5	Very high	7 Å²	7	50.5 Å²	50.5	3%	0.027	25%	0.247	C	C	.	.	H	α-helix	trans	-58.8	-41.8	-172.9	-47.6	134	0	0	0	113.1	N598 W599 A786 S789 D793 L794 L795 R819 A821 W844	N598-W791 PolarHBondContact O-NE1 2.98Å; W599-W791 HydrophobicContact CE3-CZ2 4.23Å; W599-W791 HydrophobicContact CZ3-CZ2 4.18Å; A786-W791 HydrophobicContact CB-CZ3 4.19Å; A786-W791 VanDerWaalsContact O-CH2 3.3Å; A786-W791 WeakPolarHBondContact O-CH2 3.43Å; S789-W791 VanDerWaalsContact CA-CZ2 3.5Å; S789-W791 PolarHBondContact O-N 3.23Å; S789-W791 WeakPolarHBondContact OG-CZ2 3.32Å; W791-D793 VanDerWaalsContact C-N 3.34Å; W791-D793 PolarHBondContact O-N 3.08Å; W791-L794 HydrophobicContact CE3-CD1 4.1Å; W791-L794 HydrophobicContact CZ3-CD1 4.32Å; W791-L794 PolarHBondContact O-N 2.61Å; W791-L795 WeakPolarHBondContact O-CB 3.34Å; W791-L795 VanDerWaalsContact O-CG 3.25Å; W791-L795 WeakPolarHBondContact O-CG 2.84Å; W791-L795 PolarHBondContact O-N 3.04Å; W791-R819 VanDerWaalsContact CD1-CA 3.48Å; W791-R819 PolarHBondContact NE1-O 3.34Å; W791-A821 HydrophobicContact CH2-CB 3.66Å; W791-A821 HydrophobicContact CZ3-CB 4Å; W791-W844 AromaticContact CE3-CZ2 3.95Å; W791-W844 HydrophobicContact CE3-CZ2 3.95Å
792	L	94.1	Very high	96.5	Very high	135 Å²	135	50.8 Å²	50.8	71%	0.707	25%	0.249	S	C	*	.	H	α-helix	trans	-63.3	-39.4	179.7	-68	175.4	0	0	0	112.3	S790 L795 R796	S790-L792 VanDerWaalsContact C-N 3.34Å; S790-L792 PolarHBondContact O-N 2.76Å; L792-L795 PolarHBondContact O-N 2.99Å; L792-R796 PolarHBondContact O-N 2.93Å
793	D	95.3	Very high	96.6	Very high	54 Å²	54	52.3 Å²	52.3	29%	0.289	26%	0.256	S	S	.	.	H	α-helix	trans	-67.9	-40.3	179	-64.5	-36.5	0	0	0	111.3	L785 S790 W791 R796 Y797	L785-D793 HydrophobicContact CD1-CB 4.44Å; L785-D793 HydrophobicContact CD2-CB 4.28Å; S790-D793 PolarHBondContact O-N 3.4Å; W791-D793 VanDerWaalsContact C-N 3.34Å; W791-D793 PolarHBondContact O-N 3.08Å; D793-R796 IonicContact OD1-CZ 2.81Å; D793-R796 IonicContact OD1-NH1 3.6Å; D793-R796 PolarHBondContact OD1-NH1 2.83Å; D793-R796 IonicContact OD1-NH2 3.51Å; D793-R796 PolarHBondContact OD1-NH2 3.46Å; D793-Y797 VanDerWaalsContact O-CD2 3.27Å; D793-Y797 WeakPolarHBondContact O-CD2 3.22Å
794	L	96.9	Very high	96.6	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.2	-43.7	173.8	-78.8	172.6	0	0	0	112.4	I775 L777 V782 L785 A786 S790 W791 R796 Y797 D798 W844	I775-L794 HydrophobicContact CD1-CD2 4.27Å; I775-L794 HydrophobicContact CG2-CD2 4.43Å; L777-L794 HydrophobicContact CD1-CD2 4.23Å; V782-L794 HydrophobicContact CB-CD2 4.32Å; V782-L794 HydrophobicContact CG1-CD2 4Å; V782-L794 HydrophobicContact CG2-CD2 4.34Å; L785-L794 HydrophobicContact CB-CD1 4.08Å; L785-L794 HydrophobicContact CB-CD2 3.74Å; L785-L794 HydrophobicContact CB-CG 3.66Å; L785-L794 HydrophobicContact CD1-CD2 3.84Å; L785-L794 HydrophobicContact CD1-CG 4.15Å; L785-L794 HydrophobicContact CG-CD2 4.45Å; A786-L794 HydrophobicContact CB-CD1 4.12Å; S790-L794 PolarHBondContact O-N 2.87Å; W791-L794 HydrophobicContact CE3-CD1 4.1Å; W791-L794 HydrophobicContact CZ3-CD1 4.32Å; W791-L794 PolarHBondContact O-N 2.61Å; L794-R796 PolarHBondContact O-N 3.42Å; L794-Y797 PolarHBondContact O-N 3.38Å; L794-D798 PolarHBondContact O-N 2.9Å; L794-W844 HydrophobicContact CB-CH2 3.37Å; L794-W844 HydrophobicContact CB-CZ2 4.49Å; L794-W844 HydrophobicContact CB-CZ3 3.66Å; L794-W844 HydrophobicContact CD1-CH2 3.93Å; L794-W844 HydrophobicContact CD1-CZ2 4.34Å; L794-W844 HydrophobicContact CG-CH2 4.29Å
795	L	96.9	Very high	96.6	Very high	27 Å²	27	53.6 Å²	53.6	14%	0.141	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-26.7	-178.6	-76	167.2	0	0	0	113.2	W791 L792 Y797 D798 I818 W844	W791-L795 WeakPolarHBondContact O-CB 3.34Å; W791-L795 VanDerWaalsContact O-CG 3.25Å; W791-L795 WeakPolarHBondContact O-CG 2.84Å; W791-L795 PolarHBondContact O-N 3.04Å; L792-L795 PolarHBondContact O-N 2.99Å; L795-Y797 PolarHBondContact O-N 3.29Å; L795-Y797 VanDerWaalsContact O-N 3.13Å; L795-D798 HydrophobicContact CD2-CB 4.23Å; L795-D798 WeakPolarHBondContact O-CB 3.26Å; L795-D798 PolarHBondContact O-N 2.93Å; L795-D798 VanDerWaalsContact O-N 3.11Å; L795-I818 HydrophobicContact CD1-CB 4.22Å; L795-I818 HydrophobicContact CD2-CB 4.32Å; L795-I818 HydrophobicContact CD2-CD1 3.83Å; L795-W844 HydrophobicContact CD2-CE3 4Å; L795-W844 HydrophobicContact CD2-CH2 4.09Å; L795-W844 HydrophobicContact CD2-CZ3 3.65Å; L795-W844 HydrophobicContact CG-CH2 3.9Å; L795-W844 HydrophobicContact CG-CZ3 3.84Å
796	R	97.6	Very high	96.7	Very high	151 Å²	151	56.2 Å²	56.2	57%	0.57	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.7	172.9	-68.1	-165	-63.3	-102.1	-0.4	113.3	L792 D793 L794	L792-R796 PolarHBondContact O-N 2.93Å; D793-R796 IonicContact OD1-CZ 2.81Å; D793-R796 IonicContact OD1-NH1 3.6Å; D793-R796 PolarHBondContact OD1-NH1 2.83Å; D793-R796 IonicContact OD1-NH2 3.51Å; D793-R796 PolarHBondContact OD1-NH2 3.46Å; L794-R796 PolarHBondContact O-N 3.42Å
797	Y	98.2	Very high	96.8	Very high	97 Å²	97	57.8 Å²	57.8	38%	0.38	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	3.8	179.2	-57	-86.4	0	0	0	112.5	I775 N776 L777 D793 L794 L795 Q799	I775-Y797 CarbonylContact C-O 3.41Å; I775-Y797 WeakPolarHBondContact CA-O 3.34Å; N776-Y797 PolarHBondContact N-O 2.93Å; L777-Y797 HydrophobicContact CD1-CD2 3.62Å; L777-Y797 HydrophobicContact CD1-CE2 4.2Å; L777-Y797 HydrophobicContact CD1-CG 3.93Å; L777-Y797 HydrophobicContact CD2-CD1 3.85Å; L777-Y797 HydrophobicContact CD2-CD2 3.99Å; L777-Y797 HydrophobicContact CD2-CE1 3.99Å; L777-Y797 HydrophobicContact CD2-CE2 4.12Å; L777-Y797 HydrophobicContact CD2-CG 3.86Å; L777-Y797 HydrophobicContact CG-CD1 4.11Å; L777-Y797 HydrophobicContact CG-CD2 3.87Å; L777-Y797 HydrophobicContact CG-CE2 4.46Å; L777-Y797 HydrophobicContact CG-CG 3.67Å; D793-Y797 VanDerWaalsContact O-CD2 3.27Å; D793-Y797 WeakPolarHBondContact O-CD2 3.22Å; L794-Y797 PolarHBondContact O-N 3.38Å; L795-Y797 PolarHBondContact O-N 3.29Å; L795-Y797 VanDerWaalsContact O-N 3.13Å; Y797-Q799 PolarHBondContact O-N 3.1Å
798	D	98.5	Very high	97	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-71.5	120.6	176.5	175.4	59.9	0	0	0	110.3	L794 L795 L800 T801 I802 W844 R847	L794-D798 PolarHBondContact O-N 2.9Å; L795-D798 HydrophobicContact CD2-CB 4.23Å; L795-D798 WeakPolarHBondContact O-CB 3.26Å; L795-D798 PolarHBondContact O-N 2.93Å; L795-D798 VanDerWaalsContact O-N 3.11Å; D798-L800 VanDerWaalsContact C-N 3.34Å; D798-L800 PolarHBondContact O-N 3.34Å; D798-T801 PolarHBondContact O-N 2.9Å; D798-T801 WeakPolarHBondContact OD2-CB 3.38Å; D798-T801 PolarHBondContact OD2-N 2.94Å; D798-T801 PolarHBondContact OD2-OG1 3.14Å; D798-I802 WeakPolarHBondContact O-CG1 3.29Å; D798-I802 PolarHBondContact O-N 3.42Å; D798-W844 HydrophobicContact CB-CE3 4.48Å; D798-R847 IonicContact OD1-NH1 2.98Å; D798-R847 PolarHBondContact OD1-NH1 2.95Å; D798-R847 IonicContact OD2-CZ 3.26Å; D798-R847 IonicContact OD2-NH1 2.77Å; D798-R847 PolarHBondContact OD2-NH1 3.22Å; D798-R847 IonicContact OD2-NH2 2.65Å; D798-R847 PolarHBondContact OD2-NH2 3.36Å
799	Q	98.7	Very high	97.2	Very high	5 Å²	5	50.9 Å²	50.9	2%	0.023	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-39.9	-175.5	-71	167.8	-5.7	0	0	112.2	Q734 V737 Y773 R774 N776 Y797 T801 I802 E803	Q734-Q799 PolarHBondContact O-NE2 3.14Å; V737-Q799 HydrophobicContact CG2-CB 4.45Å; V737-Q799 VanDerWaalsContact CG2-CD 3.44Å; V737-Q799 HydrophobicContact CG2-CG 4Å; Y773-Q799 HydrophobicContact CD1-CB 3.73Å; Y773-Q799 HydrophobicContact CG-CB 4.44Å; R774-Q799 VanDerWaalsContact O-CB 3.26Å; R774-Q799 WeakPolarHBondContact O-CB 3.29Å; R774-Q799 WeakPolarHBondContact O-CG 3.4Å; R774-Q799 PolarHBondContact O-N 2.99Å; N776-Q799 WeakPolarHBondContact OD1-CG 3.24Å; N776-Q799 PolarHBondContact OD1-NE2 2.7Å; Y797-Q799 PolarHBondContact O-N 3.1Å; Q799-T801 PolarHBondContact O-N 3.47Å; Q799-I802 PolarHBondContact O-N 3.21Å; Q799-E803 WeakPolarHBondContact O-CB 3.21Å; Q799-E803 VanDerWaalsContact O-CG 3.26Å; Q799-E803 WeakPolarHBondContact O-CG 3.2Å; Q799-E803 PolarHBondContact O-N 2.99Å
800	L	98.6	Very high	97.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.6	-44.7	179	177.4	57.8	0	0	0	111	F771 Y773 D798 I802 E803 K804 V809 F810 R847 L849	F771-L800 HydrophobicContact CD2-CD2 3.87Å; Y773-L800 HydrophobicContact CD1-CB 4.19Å; Y773-L800 HydrophobicContact CD2-CB 3.77Å; Y773-L800 HydrophobicContact CD2-CD1 3.87Å; Y773-L800 HydrophobicContact CD2-CD2 4.39Å; Y773-L800 HydrophobicContact CD2-CG 4.21Å; Y773-L800 HydrophobicContact CE2-CB 4.38Å; Y773-L800 HydrophobicContact CE2-CD1 3.66Å; Y773-L800 HydrophobicContact CE2-CG 4.49Å; Y773-L800 HydrophobicContact CG-CB 3.65Å; Y773-L800 HydrophobicContact CG-CD1 4.48Å; D798-L800 VanDerWaalsContact C-N 3.34Å; D798-L800 PolarHBondContact O-N 3.34Å; L800-I802 VanDerWaalsContact C-N 3.31Å; L800-I802 PolarHBondContact O-N 2.87Å; L800-E803 PolarHBondContact O-N 2.88Å; L800-K804 WeakPolarHBondContact O-CB 3.3Å; L800-K804 PolarHBondContact O-N 2.85Å; L800-V809 HydrophobicContact CD1-CG2 4.1Å; L800-F810 HydrophobicContact CD1-CD2 3.84Å; L800-F810 HydrophobicContact CD1-CE2 3.97Å; L800-R847 HydrophobicContact CD2-CB 4.29Å; L800-R847 HydrophobicContact CD2-CG 3.87Å; L800-L849 HydrophobicContact CD2-CD1 4.25Å
801	T	98.2	Very high	97.3	Very high	36 Å²	36	57.7 Å²	57.7	22%	0.221	29%	0.288	C	S	.	.	H	α-helix	trans	-57.4	-45.9	176.7	-59.6	0	0	0	0	110.8	D798 Q799 L805	D798-T801 PolarHBondContact O-N 2.9Å; D798-T801 WeakPolarHBondContact OD2-CB 3.38Å; D798-T801 PolarHBondContact OD2-N 2.94Å; D798-T801 PolarHBondContact OD2-OG1 3.14Å; Q799-T801 PolarHBondContact O-N 3.47Å; T801-L805 HydrophobicContact CG2-CD1 3.98Å; T801-L805 WeakPolarHBondContact O-CB 3.39Å; T801-L805 WeakPolarHBondContact O-CD1 3.26Å; T801-L805 WeakPolarHBondContact O-CG 3.39Å; T801-L805 PolarHBondContact O-N 3.34Å
802	I	98.5	Very high	97.3	Very high	65 Å²	65	60 Å²	60	33%	0.333	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-50.6	177.5	-66.3	164.1	0	0	0	111.3	D798 Q799 L800 K804 L805 A806	D798-I802 WeakPolarHBondContact O-CG1 3.29Å; D798-I802 PolarHBondContact O-N 3.42Å; Q799-I802 PolarHBondContact O-N 3.21Å; L800-I802 VanDerWaalsContact C-N 3.31Å; L800-I802 PolarHBondContact O-N 2.87Å; I802-K804 PolarHBondContact O-N 3.37Å; I802-L805 PolarHBondContact O-N 2.94Å; I802-A806 WeakPolarHBondContact O-CB 3.29Å; I802-A806 PolarHBondContact O-N 3.37Å
803	E	98.6	Very high	97.4	Very high	33 Å²	33	53.7 Å²	53.7	15%	0.154	28%	0.28	C	S	.	.	H	α-helix	trans	-68.2	-34.9	-176.2	-67.2	-59.2	138	0	0	112.8	V737 N741 Y773 Q799 L800 A806 G807 N808 V809	V737-E803 HydrophobicContact CG1-CG 3.63Å; V737-E803 WeakPolarHBondContact CG1-OE1 3.16Å; N741-E803 PolarHBondContact ND2-OE2 3.33Å; Y773-E803 HydrophobicContact CE1-CB 4.46Å; Y773-E803 HydrophobicContact CE1-CG 4.15Å; Q799-E803 WeakPolarHBondContact O-CB 3.21Å; Q799-E803 VanDerWaalsContact O-CG 3.26Å; Q799-E803 WeakPolarHBondContact O-CG 3.2Å; Q799-E803 PolarHBondContact O-N 2.99Å; L800-E803 PolarHBondContact O-N 2.88Å; E803-A806 PolarHBondContact O-N 3.05Å; E803-G807 PolarHBondContact O-N 3.05Å; E803-N808 PolarHBondContact O-N 3.26Å; E803-N808 PolarHBondContact OE2-ND2 3.12Å; E803-V809 HydrophobicContact CB-CG2 3.85Å
804	K	98.1	Very high	97.5	Very high	55 Å²	55	55.2 Å²	55.2	24%	0.239	29%	0.285	C	S	.	.	H	α-helix	trans	-66.7	-44	173.1	-179.5	177.5	-178.4	-81.6	0	111.4	L800 I802 A806 G807 F810 F813 L849	L800-K804 WeakPolarHBondContact O-CB 3.3Å; L800-K804 PolarHBondContact O-N 2.85Å; I802-K804 PolarHBondContact O-N 3.37Å; K804-A806 VanDerWaalsContact C-N 3.3Å; K804-A806 PolarHBondContact O-N 3.21Å; K804-G807 PolarHBondContact O-N 3.25Å; K804-F810 HydrophobicContact CG-CB 4.46Å; K804-F813 WeakPolarHBondContact CE-O 3.48Å; K804-F813 PolarHBondContact NZ-O 2.91Å; K804-L849 HydrophobicContact CD-CD2 3.91Å
805	L	97	Very high	97.6	Very high	145 Å²	145	56.9 Å²	56.9	76%	0.759	29%	0.293	S	S	*	.	H	α-helix	trans	-64	-35.5	176.4	-74.7	170.9	0	0	0	112.1	T801 I802 G807	T801-L805 HydrophobicContact CG2-CD1 3.98Å; T801-L805 WeakPolarHBondContact O-CB 3.39Å; T801-L805 WeakPolarHBondContact O-CD1 3.26Å; T801-L805 WeakPolarHBondContact O-CG 3.39Å; T801-L805 PolarHBondContact O-N 3.34Å; I802-L805 PolarHBondContact O-N 2.94Å; L805-G807 PolarHBondContact O-N 2.84Å
806	A	97.7	Very high	97.6	Very high	64 Å²	64	55.9 Å²	55.9	53%	0.529	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-9.9	173.1	0	0	0	0	0	113.7	I802 E803 K804 N808	I802-A806 WeakPolarHBondContact O-CB 3.29Å; I802-A806 PolarHBondContact O-N 3.37Å; E803-A806 PolarHBondContact O-N 3.05Å; K804-A806 VanDerWaalsContact C-N 3.3Å; K804-A806 PolarHBondContact O-N 3.21Å; A806-N808 VanDerWaalsContact C-N 3.32Å
807	G	97.2	Very high	97.5	Very high	41 Å²	41	51.4 Å²	51.4	42%	0.423	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	10.9	-179.1	0	0	0	0	0	114.8	E803 K804 L805	E803-G807 PolarHBondContact O-N 3.05Å; K804-G807 PolarHBondContact O-N 3.25Å; L805-G807 PolarHBondContact O-N 2.84Å
808	N	97.9	Very high	97.4	Very high	77 Å²	77	47.3 Å²	47.3	41%	0.412	26%	0.264	S	S	.	.	S	Bend	trans	-74.7	-27.9	-178.1	-69	-27.1	0	0	0	112.8	E803 A806	E803-N808 PolarHBondContact O-N 3.26Å; E803-N808 PolarHBondContact OE2-ND2 3.12Å; A806-N808 VanDerWaalsContact C-N 3.32Å
809	V	98.3	Very high	97.3	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.012	28%	0.283	C	S	.	.	S	Bend	trans	-142.9	156.4	-178.4	-64.9	0	0	0	0	111.1	N741 F744 L800 E803 R811	N741-V809 HydrophobicContact CB-CG1 3.88Å; N741-V809 VanDerWaalsContact OD1-CG1 3.31Å; N741-V809 WeakPolarHBondContact OD1-CG1 3.46Å; F744-V809 HydrophobicContact CB-CG1 4.11Å; F744-V809 HydrophobicContact CD1-CB 3.85Å; F744-V809 HydrophobicContact CD1-CG1 3.71Å; F744-V809 HydrophobicContact CE1-CB 4.18Å; F744-V809 HydrophobicContact CE1-CG1 4.45Å; F744-V809 HydrophobicContact CG-CB 4.18Å; F744-V809 HydrophobicContact CG-CG1 4.04Å; L800-V809 HydrophobicContact CD1-CG2 4.1Å; E803-V809 HydrophobicContact CB-CG2 3.85Å; V809-R811 PolarHBondContact O-N 3.17Å; V809-R811 VanDerWaalsContact O-N 3.08Å
810	F	97.9	Very high	97.2	Very high	1 Å²	1	51.9 Å²	51.9	0%	0.004	28%	0.282	C	S	.	.	S	Bend	trans	51.5	36.1	172.3	-64	-75.4	0	0	0	115.1	F730 F744 W767 F771 L800 K804 G812 F813 L849	F730-F810 HydrophobicContact CE2-CE2 4.23Å; F730-F810 HydrophobicContact CE2-CZ 4.19Å; F730-F810 HydrophobicContact CZ-CZ 4.21Å; F744-F810 HydrophobicContact CD2-CD1 4.15Å; F744-F810 HydrophobicContact CD2-CD2 4.25Å; F744-F810 AromaticContact CD2-CE1 3.84Å; F744-F810 HydrophobicContact CD2-CE1 3.84Å; F744-F810 AromaticContact CD2-CE2 3.95Å; F744-F810 HydrophobicContact CD2-CE2 3.95Å; F744-F810 HydrophobicContact CD2-CG 4.35Å; F744-F810 AromaticContact CD2-CZ 3.73Å; F744-F810 HydrophobicContact CD2-CZ 3.73Å; F744-F810 AromaticContact CE2-CD1 3.57Å; F744-F810 HydrophobicContact CE2-CD1 3.57Å; F744-F810 HydrophobicContact CE2-CD2 4.26Å; F744-F810 AromaticContact CE2-CE1 3.63Å; F744-F810 HydrophobicContact CE2-CE1 3.63Å; F744-F810 HydrophobicContact CE2-CE2 4.31Å; F744-F810 AromaticContact CE2-CG 3.91Å; F744-F810 HydrophobicContact CE2-CG 3.91Å; F744-F810 HydrophobicContact CE2-CZ 4.02Å; F744-F810 HydrophobicContact CZ-CD1 4.31Å; F744-F810 HydrophobicContact CZ-CG 4.37Å; W767-F810 HydrophobicContact CB-CE1 4.2Å; W767-F810 AromaticContact CD2-CE1 3.71Å; W767-F810 HydrophobicContact CD2-CE1 3.71Å; W767-F810 HydrophobicContact CD2-CZ 4.4Å; W767-F810 AromaticContact CE3-CE1 3.98Å; W767-F810 HydrophobicContact CE3-CE1 3.98Å; W767-F810 AromaticContact CG-CE1 3.81Å; W767-F810 HydrophobicContact CG-CE1 3.81Å; W767-F810 HydrophobicContact CG-CZ 4.45Å; F771-F810 HydrophobicContact CD2-CE2 4.41Å; F771-F810 HydrophobicContact CD2-CZ 4.31Å; F771-F810 HydrophobicContact CE1-CZ 4.45Å; F771-F810 HydrophobicContact CE2-CE2 4.34Å; F771-F810 AromaticContact CE2-CZ 3.89Å; F771-F810 HydrophobicContact CE2-CZ 3.89Å; F771-F810 AromaticContact CZ-CZ 3.97Å; F771-F810 HydrophobicContact CZ-CZ 3.97Å; L800-F810 HydrophobicContact CD1-CD2 3.84Å; L800-F810 HydrophobicContact CD1-CE2 3.97Å; K804-F810 HydrophobicContact CG-CB 4.46Å; F810-G812 PolarHBondContact O-N 3.33Å; F810-F813 HydrophobicContact CB-CB 4.08Å; F810-F813 HydrophobicContact CB-CD2 4.24Å; F810-F813 HydrophobicContact CB-CG 4.27Å; F810-F813 HydrophobicContact CD1-CD1 4.28Å; F810-F813 HydrophobicContact CD1-CD2 4.27Å; F810-F813 HydrophobicContact CD1-CG 4.14Å; F810-F813 WeakPolarHBondContact O-CB 3.35Å; F810-F813 PolarHBondContact O-N 3.31Å; F810-L849 HydrophobicContact CB-CD2 4.03Å; F810-L849 HydrophobicContact CD1-CD2 4.26Å; F810-L849 HydrophobicContact CD2-CD2 4.49Å; F810-L849 HydrophobicContact CG-CD2 4.03Å
811	R	94.9	Very high	97.1	Very high	217 Å²	217	52.2 Å²	52.2	82%	0.819	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	128	176.7	-173.4	177.4	179	-172.9	-0.6	110.8	V809 F813	V809-R811 PolarHBondContact O-N 3.17Å; V809-R811 VanDerWaalsContact O-N 3.08Å; R811-F813 PolarHBondContact O-N 3Å
812	G	93.6	Very high	97.1	Very high	54 Å²	54	50.5 Å²	50.5	56%	0.557	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	8.7	-178.7	0	0	0	0	0	114.9	F810 R851	F810-G812 PolarHBondContact O-N 3.33Å; G812-R851 WeakPolarHBondContact O-CG 3.36Å
813	F	98	Very high	97.1	Very high	3 Å²	3	47.4 Å²	47.4	1%	0.013	26%	0.258	C	S	.	.			trans	-90.2	148.4	168.2	-73.8	-110	0	0	0	111	L760 V765 W767 K804 F810 R811 L849 W850 R851	L760-F813 HydrophobicContact CD2-CE2 3.66Å; L760-F813 HydrophobicContact CD2-CZ 3.77Å; V765-F813 HydrophobicContact CB-CE1 4.1Å; V765-F813 HydrophobicContact CB-CZ 4.17Å; V765-F813 HydrophobicContact CG1-CE1 3.8Å; V765-F813 HydrophobicContact CG1-CZ 3.85Å; W767-F813 HydrophobicContact CB-CE1 4.23Å; W767-F813 HydrophobicContact CE3-CE1 4.41Å; W767-F813 HydrophobicContact CE3-CZ 4.19Å; K804-F813 WeakPolarHBondContact CE-O 3.48Å; K804-F813 PolarHBondContact NZ-O 2.91Å; F810-F813 HydrophobicContact CB-CB 4.08Å; F810-F813 HydrophobicContact CB-CD2 4.24Å; F810-F813 HydrophobicContact CB-CG 4.27Å; F810-F813 HydrophobicContact CD1-CD1 4.28Å; F810-F813 HydrophobicContact CD1-CD2 4.27Å; F810-F813 HydrophobicContact CD1-CG 4.14Å; F810-F813 WeakPolarHBondContact O-CB 3.35Å; F810-F813 PolarHBondContact O-N 3.31Å; R811-F813 PolarHBondContact O-N 3Å; F813-L849 HydrophobicContact CB-CB 4.24Å; F813-L849 HydrophobicContact CB-CD2 4.14Å; F813-L849 HydrophobicContact CD1-CB 4.06Å; F813-W850 CarbonylContact C-O 3.6Å; F813-W850 VanDerWaalsContact CA-O 3.26Å; F813-W850 WeakPolarHBondContact CA-O 3.24Å; F813-R851 HydrophobicContact CD1-CB 3.76Å; F813-R851 HydrophobicContact CD2-CB 4.02Å; F813-R851 HydrophobicContact CE1-CB 3.85Å; F813-R851 HydrophobicContact CE2-CB 4.11Å; F813-R851 HydrophobicContact CG-CB 3.85Å; F813-R851 HydrophobicContact CZ-CB 4.02Å
814	E	97.5	Very high	97	Very high	86 Å²	86	47 Å²	47	40%	0.402	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	154.3	170.8	-61.9	-56.6	157.3	0	0	111	L849 W850 P879	E814-L849 VanDerWaalsContact O-CA 3.24Å; E814-L849 WeakPolarHBondContact O-CA 3.12Å; E814-L849 WeakPolarHBondContact O-CB 3.14Å; E814-W850 HydrophobicContact CB-CD2 3.91Å; E814-W850 HydrophobicContact CB-CE3 4.17Å; E814-W850 HydrophobicContact CB-CH2 3.79Å; E814-W850 HydrophobicContact CB-CZ2 3.5Å; E814-W850 HydrophobicContact CB-CZ3 4.13Å; E814-W850 HydrophobicContact CG-CZ2 4.3Å; E814-W850 PolarHBondContact N-O 3.28Å; E814-W850 PolarHBondContact O-N 3.35Å; E814-P879 HydrophobicContact CG-CB 4.1Å; E814-P879 HydrophobicContact CG-CG 3.79Å
815	E	98.1	Very high	96.9	Very high	35 Å²	35	46.7 Å²	46.7	16%	0.164	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142.8	167.7	-172.2	170.2	-163.6	0	0	109.8	R847 L849 Y885	E815-R847 VanDerWaalsContact CD-NH2 3.27Å; E815-R847 IonicContact OE1-CZ 3.14Å; E815-R847 IonicContact OE1-NE 3.92Å; E815-R847 PolarHBondContact OE1-NE 3.09Å; E815-R847 IonicContact OE1-NH2 2.76Å; E815-R847 PolarHBondContact OE1-NH2 2.86Å; E815-R847 IonicContact OE2-CZ 3.42Å; E815-R847 IonicContact OE2-NE 3.73Å; E815-R847 IonicContact OE2-NH2 2.76Å; E815-R847 PolarHBondContact OE2-NH2 3.3Å; E815-L849 HydrophobicContact CB-CD2 4.27Å; E815-L849 HydrophobicContact CB-CG 4.05Å; E815-L849 HydrophobicContact CG-CG 4.33Å; E815-Y885 HydrophobicContact CG-CE1 4.1Å; E815-Y885 PolarHBondContact OE1-OH 3.01Å
816	G	96.4	Very high	96.9	Very high	6 Å²	6	40 Å²	40	6%	0.062	22%	0.218	C	C	.	.			trans	-69.9	157	177	0	0	0	0	0	112.2	I818 Y885	G816-I818 PolarHBondContact O-N 3.04Å; G816-I818 VanDerWaalsContact O-N 3.15Å; G816-Y885 WeakPolarHBondContact O-CE1 3.26Å
817	P	95.9	Very high	96.7	Very high	58 Å²	58	38.5 Å²	38.5	38%	0.377	20%	0.202	S	C	.	.			trans	-58.9	120.2	173.4	-24.6	35.5	0	0	0	111.7	Y601 R819	Y601-P817 WeakPolarHBondContact CB-O 3.25Å; Y601-P817 HydrophobicContact CD2-CB 3.88Å; Y601-P817 HydrophobicContact CD2-CG 3.58Å; Y601-P817 HydrophobicContact CE2-CG 3.76Å; Y601-P817 HydrophobicContact CG-CB 4.31Å; Y601-P817 HydrophobicContact CG-CG 4.15Å; P817-R819 HydrophobicContact CB-CG 4.48Å; P817-R819 PolarHBondContact O-N 2.82Å
818	I	97.1	Very high	96.2	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.051	20%	0.202	C	C	.	.			trans	-78.8	108.7	176.6	-64.5	168.5	0	0	0	108.6	L795 G816 F820 W844 Y885	L795-I818 HydrophobicContact CD1-CB 4.22Å; L795-I818 HydrophobicContact CD2-CB 4.32Å; L795-I818 HydrophobicContact CD2-CD1 3.83Å; G816-I818 PolarHBondContact O-N 3.04Å; G816-I818 VanDerWaalsContact O-N 3.15Å; I818-F820 HydrophobicContact CG1-CZ 4.24Å; I818-F820 HydrophobicContact CG2-CD1 4.46Å; I818-F820 HydrophobicContact CG2-CD2 4.17Å; I818-F820 HydrophobicContact CG2-CE1 4.25Å; I818-F820 HydrophobicContact CG2-CE2 3.95Å; I818-F820 HydrophobicContact CG2-CG 4.43Å; I818-F820 HydrophobicContact CG2-CZ 3.99Å; I818-W844 HydrophobicContact CG2-CD2 4.18Å; I818-W844 HydrophobicContact CG2-CG 4.39Å; I818-W844 HydrophobicContact CG2-CZ2 3.83Å; I818-Y885 HydrophobicContact CG1-CE1 3.81Å
819	R	95.7	Very high	95.8	Very high	102 Å²	102	40.9 Å²	40.9	39%	0.385	20%	0.2	S	C	.	.			trans	-122.5	34.4	-179.6	-66.6	-177.2	177.8	-156.5	5.6	111.8	N598 W599 G600 W791 P817	N598-R819 VanDerWaalsContact O-O 3.1Å; N598-R819 VanDerWaalsContact OD1-CD 3.29Å; N598-R819 WeakPolarHBondContact OD1-CD 3.24Å; N598-R819 PolarHBondContact OD1-NH1 3.36Å; W599-R819 CarbonylContact C-O 3.51Å; W599-R819 VanDerWaalsContact CA-O 3.29Å; W599-R819 WeakPolarHBondContact CA-O 3.48Å; G600-R819 PolarHBondContact N-O 3.45Å; W791-R819 VanDerWaalsContact CD1-CA 3.48Å; W791-R819 PolarHBondContact NE1-O 3.34Å; P817-R819 HydrophobicContact CB-CG 4.48Å; P817-R819 PolarHBondContact O-N 2.82Å
820	F	96.6	Very high	95.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-142.7	158	-177.5	50.8	-99.4	0	0	0	109.6	I818 T823 W844 Y885 R887 V898	I818-F820 HydrophobicContact CG1-CZ 4.24Å; I818-F820 HydrophobicContact CG2-CD1 4.46Å; I818-F820 HydrophobicContact CG2-CD2 4.17Å; I818-F820 HydrophobicContact CG2-CE1 4.25Å; I818-F820 HydrophobicContact CG2-CE2 3.95Å; I818-F820 HydrophobicContact CG2-CG 4.43Å; I818-F820 HydrophobicContact CG2-CZ 3.99Å; F820-T823 HydrophobicContact CE2-CG2 4.28Å; F820-W844 AromaticContact CD2-NE1 3.96Å; F820-W844 AromaticContact CE2-CD1 3.83Å; F820-W844 PolarHBondContact O-NE1 3.12Å; F820-Y885 HydrophobicContact CE1-CD1 4.01Å; F820-Y885 HydrophobicContact CE1-CD2 4.38Å; F820-Y885 HydrophobicContact CE1-CE1 4.06Å; F820-Y885 HydrophobicContact CE1-CE2 4.41Å; F820-Y885 HydrophobicContact CE1-CG 4.21Å; F820-Y885 HydrophobicContact CZ-CD1 4.48Å; F820-Y885 HydrophobicContact CZ-CE1 4.07Å; F820-Y885 HydrophobicContact CZ-CE2 4.26Å; F820-Y885 AromaticContact CZ-CZ 3.96Å; F820-R887 HydrophobicContact CB-CG 3.92Å; F820-R887 HydrophobicContact CD2-CB 4.05Å; F820-R887 HydrophobicContact CD2-CG 4.16Å; F820-R887 HydrophobicContact CE2-CB 4.49Å; F820-R887 HydrophobicContact CG-CB 4.24Å; F820-R887 HydrophobicContact CG-CG 4.17Å; F820-V898 HydrophobicContact CE2-CG2 4.42Å; F820-V898 HydrophobicContact CZ-CG1 4.29Å
821	A	96.5	Very high	95	Very high	7 Å²	7	46.5 Å²	46.5	6%	0.058	23%	0.233	C	C	.	.			trans	-65.4	157.3	-177.1	0	0	0	0	0	113.4	W599 W791 T823 W844 R887	W599-A821 HydrophobicContact CH2-CB 4.17Å; W599-A821 HydrophobicContact CZ3-CB 4.12Å; W791-A821 HydrophobicContact CH2-CB 3.66Å; W791-A821 HydrophobicContact CZ3-CB 4Å; A821-T823 PolarHBondContact O-N 3.31Å; A821-W844 VanDerWaalsContact C-NE1 3.29Å; A821-W844 PolarHBondContact O-NE1 2.69Å; A821-R887 VanDerWaalsContact CB-CZ 3.47Å; A821-R887 VanDerWaalsContact CB-NH1 3.29Å; A821-R887 PolarHBondContact O-NH1 2.85Å
822	P	97.8	Very high	95	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.			trans	-45.2	133.2	171.1	-32.2	37.3	0	0	0	113.5	I775 V782 A786 Y826 Y833 P842 A843 W844 R887	I775-P822 HydrophobicContact CD1-CG 4.38Å; V782-P822 HydrophobicContact CG1-CG 4.46Å; A786-P822 HydrophobicContact CB-CG 4.42Å; P822-Y826 WeakPolarHBondContact O-CE2 3.37Å; P822-Y826 PolarHBondContact O-OH 2.77Å; P822-Y833 HydrophobicContact CB-CE1 4.39Å; P822-P842 HydrophobicContact CB-CB 3.72Å; P822-P842 HydrophobicContact CG-CB 4.1Å; P822-A843 CarbonylContact C-O 3.36Å; P822-W844 HydrophobicContact CG-CZ2 4.45Å; P822-R887 PolarHBondContact O-NH1 3.06Å
823	T	97.7	Very high	95.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.199	C	C	.	.			trans	-83.2	-14.8	-171.5	56.6	0	0	0	0	114	F820 A821 Y826 A843 T845 D846 H895 R896 V898	F820-T823 HydrophobicContact CE2-CG2 4.28Å; A821-T823 PolarHBondContact O-N 3.31Å; T823-Y826 WeakPolarHBondContact O-CE2 3.27Å; T823-A843 PolarHBondContact N-O 3.49Å; T823-T845 PolarHBondContact OG1-N 2.99Å; T823-T845 PolarHBondContact OG1-OG1 3.09Å; T823-D846 WeakPolarHBondContact CB-OD2 3.15Å; T823-D846 HydrophobicContact CG2-CB 4.26Å; T823-D846 PolarHBondContact OG1-N 3.1Å; T823-D846 PolarHBondContact OG1-OD2 3.12Å; T823-H895 CarbonylContact O-C 3.55Å; T823-H895 VanDerWaalsContact O-CA 3.25Å; T823-H895 WeakPolarHBondContact O-CA 3.36Å; T823-R896 PolarHBondContact O-N 3.33Å; T823-V898 HydrophobicContact CG2-CG2 3.62Å
824	Y	97.6	Very high	94.9	Very high	24 Å²	24	39.9 Å²	39.9	9%	0.094	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-136.6	153.1	180	171.1	-90	0	0	0	109.7	R840 P842 A843 T845 H895	Y824-R840 HydrophobicContact CE1-CB 4.15Å; Y824-P842 CarbonylContact O-C 3.57Å; Y824-P842 WeakPolarHBondContact O-CA 3.42Å; Y824-A843 PolarHBondContact N-O 3.42Å; Y824-A843 VanDerWaalsContact N-O 3.09Å; Y824-A843 PolarHBondContact O-N 2.83Å; Y824-T845 WeakPolarHBondContact CB-OG1 3.4Å; Y824-T845 HydrophobicContact CD1-CG2 4.13Å; Y824-T845 HydrophobicContact CG-CG2 4.12Å; Y824-H895 AromaticContact CD2-CD2 3.64Å; Y824-H895 AromaticContact CD2-CE1 3.43Å; Y824-H895 VanDerWaalsContact CD2-CE1 3.43Å; Y824-H895 WeakPolarHBondContact CD2-CE1 3.12Å; Y824-H895 AromaticContact CD2-NE2 3.12Å; Y824-H895 WeakPolarHBondContact CD2-NE2 3.45Å; Y824-H895 AromaticContact CE2-NE2 3.61Å; Y824-H895 AromaticContact CG-CE1 3.93Å
825	K	96.2	Very high	94.6	Very high	48 Å²	48	40.8 Å²	40.8	21%	0.209	21%	0.211	C	C	.	.			cis	-108.2	132.3	-10.2	-172.9	176	173.6	178.4	0	109.2	Y833 D834 R840 D894	K825-Y833 CarbonylContact O-C 3.6Å; K825-Y833 VanDerWaalsContact O-CA 3.28Å; K825-Y833 WeakPolarHBondContact O-CA 3.47Å; K825-D834 HydrophobicContact CB-CB 4.04Å; K825-D834 HydrophobicContact CD-CB 4.15Å; K825-D834 HydrophobicContact CG-CB 4.21Å; K825-D834 PolarHBondContact O-N 2.98Å; K825-R840 HydrophobicContact CB-CB 4.35Å; K825-R840 HydrophobicContact CD-CG 4.44Å; K825-D894 WeakPolarHBondContact CE-OD2 3.4Å; K825-D894 HydrophobicContact CG-CB 3.99Å; K825-D894 IonicContact NZ-OD2 2.73Å
826	Y	95.5	Very high	94.4	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.016	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-99.9	149.7	174.6	-69.1	-85.3	0	0	0	111.4	P822 T823 D831 D832 Y833 R887 D894 R896	P822-Y826 WeakPolarHBondContact O-CE2 3.37Å; P822-Y826 PolarHBondContact O-OH 2.77Å; T823-Y826 WeakPolarHBondContact O-CE2 3.27Å; Y826-D831 WeakPolarHBondContact CE1-O 3.43Å; Y826-D832 WeakPolarHBondContact CA-O 3.27Å; Y826-Y833 HydrophobicContact CD1-CD1 4.13Å; Y826-Y833 HydrophobicContact CD1-CE1 4.34Å; Y826-Y833 AromaticContact CE1-CD1 3.77Å; Y826-Y833 HydrophobicContact CE1-CD1 3.77Å; Y826-Y833 AromaticContact CE1-CE1 3.56Å; Y826-Y833 HydrophobicContact CE1-CE1 3.56Å; Y826-Y833 HydrophobicContact CE1-CG 4.45Å; Y826-Y833 HydrophobicContact CE2-CD1 4.35Å; Y826-Y833 AromaticContact CE2-CE1 3.9Å; Y826-Y833 HydrophobicContact CE2-CE1 3.9Å; Y826-Y833 AromaticContact CZ-CD1 3.89Å; Y826-Y833 AromaticContact CZ-CE1 3.29Å; Y826-Y833 AromaticContact CZ-CZ 3.91Å; Y826-Y833 WeakPolarHBondContact OH-CE1 3.24Å; Y826-Y833 PolarHBondContact OH-OH 3.47Å; Y826-R887 PolarHBondContact OH-NH1 3.05Å; Y826-R887 PolarHBondContact OH-NH2 2.85Å; Y826-D894 PolarHBondContact N-O 3.13Å; Y826-D894 WeakPolarHBondContact O-CA 3.48Å; Y826-D894 WeakPolarHBondContact O-CB 3.34Å; Y826-R896 HydrophobicContact CD2-CG 3.93Å; Y826-R896 HydrophobicContact CE2-CG 3.59Å
827	D	93.6	Very high	94	Very high	33 Å²	33	50.9 Å²	50.9	18%	0.176	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-69.2	144.2	158.3	-69.7	-24.6	0	0	0	108.9	F829 C830 D832 D834 T835	D827-F829 PolarHBondContact O-N 3.2Å; D827-C830 WeakPolarHBondContact CB-SG 3.43Å; D827-D832 PolarHBondContact N-O 3.43Å; D827-D834 WeakPolarHBondContact OD1-CA 3.24Å; D827-T835 PolarHBondContact OD1-N 3.19Å; D827-T835 WeakPolarHBondContact OD2-CB 3.41Å; D827-T835 WeakPolarHBondContact OD2-CG2 3.37Å; D827-T835 PolarHBondContact OD2-N 3.11Å; D827-T835 VanDerWaalsContact OD2-N 3.12Å; D827-T835 PolarHBondContact OD2-OG1 3.29Å
828	L	88.5	Confident	93.7	Very high	82 Å²	82	55.5 Å²	55.5	43%	0.429	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	140.1	-175.3	-64.4	176.6	0	0	0	110.5	C830 D894	L828-C830 PolarHBondContact O-N 3.39Å; L828-D894 HydrophobicContact CD2-CB 4.27Å
829	F	87.6	Confident	93.4	Very high	86 Å²	86	58 Å²	58	38%	0.377	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	11.3	174.3	-46.5	-64.4	0	0	0	115.8	H577 D827 K891 T892	H577-F829 PolarHBondContact NE2-O 3.32Å; D827-F829 PolarHBondContact O-N 3.2Å; F829-K891 WeakPolarHBondContact CA-O 3.31Å; F829-K891 PolarHBondContact N-O 3.08Å; F829-T892 HydrophobicContact CE1-CG2 4.38Å
830	C	88.8	Confident	93.3	Very high	38 Å²	38	58.6 Å²	58.6	26%	0.257	30%	0.3	S	S	.	.	S	Bend	trans	-140.8	175	174.8	60	0	0	0	0	112	D827 L828 R896	D827-C830 WeakPolarHBondContact CB-SG 3.43Å; L828-C830 PolarHBondContact O-N 3.39Å; C830-R896 PolarHBondContact O-NH2 3.16Å
831	D	91.4	Very high	93.2	Very high	83 Å²	83	59.5 Å²	59.5	44%	0.444	31%	0.307	S	S	.	.	S	Bend	trans	-95.9	0.2	179.4	-61.3	-44.8	0	0	0	113	Y826 K891 R896	Y826-D831 WeakPolarHBondContact CE1-O 3.43Å; D831-K891 WeakPolarHBondContact OD1-CE 3.39Å; D831-K891 IonicContact OD1-NZ 3.66Å; D831-K891 PolarHBondContact OD1-NZ 3.47Å; D831-K891 IonicContact OD2-NZ 3.61Å; D831-K891 PolarHBondContact OD2-NZ 3.37Å; D831-R896 IonicContact OD1-NH2 2.69Å; D831-R896 PolarHBondContact OD1-NH2 3.08Å
832	D	94.1	Very high	93.3	Very high	101 Å²	101	59.2 Å²	59.2	54%	0.54	30%	0.304	S	S	.	.			trans	-68.8	131.8	174	-64	-48.7	0	0	0	110.4	Y826 D827	Y826-D832 WeakPolarHBondContact CA-O 3.27Å; D827-D832 PolarHBondContact N-O 3.43Å
833	Y	95.9	Very high	93.3	Very high	32 Å²	32	59.2 Å²	59.2	13%	0.125	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-72.7	151	168	-67.4	-69.3	0	0	0	110.5	K783 P822 K825 Y826 T835 P842	K783-Y833 HydrophobicContact CG-CD2 4.1Å; P822-Y833 HydrophobicContact CB-CE1 4.39Å; K825-Y833 CarbonylContact O-C 3.6Å; K825-Y833 VanDerWaalsContact O-CA 3.28Å; K825-Y833 WeakPolarHBondContact O-CA 3.47Å; Y826-Y833 HydrophobicContact CD1-CD1 4.13Å; Y826-Y833 HydrophobicContact CD1-CE1 4.34Å; Y826-Y833 AromaticContact CE1-CD1 3.77Å; Y826-Y833 HydrophobicContact CE1-CD1 3.77Å; Y826-Y833 AromaticContact CE1-CE1 3.56Å; Y826-Y833 HydrophobicContact CE1-CE1 3.56Å; Y826-Y833 HydrophobicContact CE1-CG 4.45Å; Y826-Y833 HydrophobicContact CE2-CD1 4.35Å; Y826-Y833 AromaticContact CE2-CE1 3.9Å; Y826-Y833 HydrophobicContact CE2-CE1 3.9Å; Y826-Y833 AromaticContact CZ-CD1 3.89Å; Y826-Y833 AromaticContact CZ-CE1 3.29Å; Y826-Y833 AromaticContact CZ-CZ 3.91Å; Y826-Y833 WeakPolarHBondContact OH-CE1 3.24Å; Y826-Y833 PolarHBondContact OH-OH 3.47Å; Y833-T835 PolarHBondContact O-N 3.08Å; Y833-T835 VanDerWaalsContact O-N 3.09Å; Y833-P842 HydrophobicContact CD1-CB 3.73Å; Y833-P842 HydrophobicContact CD1-CG 3.56Å; Y833-P842 HydrophobicContact CD2-CG 3.89Å; Y833-P842 HydrophobicContact CE1-CB 3.61Å; Y833-P842 HydrophobicContact CE1-CG 3.86Å; Y833-P842 HydrophobicContact CE2-CG 4.18Å; Y833-P842 HydrophobicContact CG-CB 4.25Å; Y833-P842 HydrophobicContact CG-CG 3.56Å
834	D	94	Very high	93.3	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.011	30%	0.304	C	S	.	.			trans	-26.1	103.7	-176.2	-170.4	13.6	0	0	0	114.3	K825 D827 S836 R840	K825-D834 HydrophobicContact CB-CB 4.04Å; K825-D834 HydrophobicContact CD-CB 4.15Å; K825-D834 HydrophobicContact CG-CB 4.21Å; K825-D834 PolarHBondContact O-N 2.98Å; D827-D834 WeakPolarHBondContact OD1-CA 3.24Å; D834-S836 WeakPolarHBondContact OD1-CB 3.34Å; D834-S836 PolarHBondContact OD1-N 2.82Å; D834-S836 PolarHBondContact OD1-OG 3.39Å; D834-S836 PolarHBondContact OD2-OG 3.39Å; D834-R840 HydrophobicContact CB-CB 4.36Å; D834-R840 VanDerWaalsContact OD2-CB 3.24Å; D834-R840 WeakPolarHBondContact OD2-CB 3.47Å; D834-R840 VanDerWaalsContact OD2-CG 3.24Å; D834-R840 WeakPolarHBondContact OD2-CG 3.38Å; D834-R840 PolarHBondContact OD2-N 3.13Å
835	T	92.4	Very high	93.4	Very high	106 Å²	106	58.1 Å²	58.1	65%	0.65	30%	0.3	S	S	*	.			trans	-93.3	1	172.8	65	0	0	0	0	112.5	D827 Y833	D827-T835 PolarHBondContact OD1-N 3.19Å; D827-T835 WeakPolarHBondContact OD2-CB 3.41Å; D827-T835 WeakPolarHBondContact OD2-CG2 3.37Å; D827-T835 PolarHBondContact OD2-N 3.11Å; D827-T835 VanDerWaalsContact OD2-N 3.12Å; D827-T835 PolarHBondContact OD2-OG1 3.29Å; Y833-T835 PolarHBondContact O-N 3.08Å; Y833-T835 VanDerWaalsContact O-N 3.09Å
836	S	92.3	Very high	93.5	Very high	48 Å²	48	55.9 Å²	55.9	34%	0.336	29%	0.29	S	S	.	.	S	Bend	trans	-65.3	165.7	176.3	79.3	0	0	0	0	112.2	D834 K838 A839	D834-S836 WeakPolarHBondContact OD1-CB 3.34Å; D834-S836 PolarHBondContact OD1-N 2.82Å; D834-S836 PolarHBondContact OD1-OG 3.39Å; D834-S836 PolarHBondContact OD2-OG 3.39Å; S836-K838 PolarHBondContact O-N 2.91Å; S836-K838 PolarHBondContact OG-N 3Å; S836-A839 WeakPolarHBondContact O-CA 3.35Å; S836-A839 PolarHBondContact O-N 3.27Å
837	E	88.8	Confident	93.6	Very high	204 Å²	204	55.7 Å²	55.7	95%	0.953	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-26.2	176.1	-62.5	-179.1	172.9	0	0	113.6	A839	E837-A839 VanDerWaalsContact C-N 3.27Å; E837-A839 PolarHBondContact O-N 2.91Å
838	K	89.3	Confident	93.9	Very high	156 Å²	156	54.2 Å²	54.2	68%	0.678	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.2	178.1	-67.3	-179.4	-177.7	170.4	0	112.7	S836 R840	S836-K838 PolarHBondContact O-N 2.91Å; S836-K838 PolarHBondContact OG-N 3Å; K838-R840 VanDerWaalsContact C-N 3.25Å; K838-R840 HydrophobicContact CB-CG 4.37Å; K838-R840 PolarHBondContact O-N 3.31Å; K838-R840 VanDerWaalsContact O-N 3.08Å
839	A	91.3	Very high	94.4	Very high	63 Å²	63	50.3 Å²	50.3	52%	0.521	26%	0.261	S	S	.	.			trans	38.4	52.5	175.1	0	0	0	0	0	113	S836 E837 S841	S836-A839 WeakPolarHBondContact O-CA 3.35Å; S836-A839 PolarHBondContact O-N 3.27Å; E837-A839 VanDerWaalsContact C-N 3.27Å; E837-A839 PolarHBondContact O-N 2.91Å; A839-S841 PolarHBondContact O-N 3.34Å
840	R	92.9	Very high	94.9	Very high	113 Å²	113	46.9 Å²	46.9	43%	0.426	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-61.1	128.3	-175.2	-65	-64.4	-161	-179.8	1.9	109.7	Y824 K825 D834 K838	Y824-R840 HydrophobicContact CE1-CB 4.15Å; K825-R840 HydrophobicContact CB-CB 4.35Å; K825-R840 HydrophobicContact CD-CG 4.44Å; D834-R840 HydrophobicContact CB-CB 4.36Å; D834-R840 VanDerWaalsContact OD2-CB 3.24Å; D834-R840 WeakPolarHBondContact OD2-CB 3.47Å; D834-R840 VanDerWaalsContact OD2-CG 3.24Å; D834-R840 WeakPolarHBondContact OD2-CG 3.38Å; D834-R840 PolarHBondContact OD2-N 3.13Å; K838-R840 VanDerWaalsContact C-N 3.25Å; K838-R840 HydrophobicContact CB-CG 4.37Å; K838-R840 PolarHBondContact O-N 3.31Å; K838-R840 VanDerWaalsContact O-N 3.08Å
841	S	96.1	Very high	95.3	Very high	20 Å²	20	47.5 Å²	47.5	14%	0.14	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-59.7	136.8	173.9	-171.7	0	0	0	0	110.2	G779 A839	G779-S841 WeakPolarHBondContact CA-OG 3.49Å; A839-S841 PolarHBondContact O-N 3.34Å
842	P	97.9	Very high	95.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-59.8	147.2	174.4	-21.4	31.7	0	0	0	112.6	V782 K783 P822 Y824 Y833	V782-P842 HydrophobicContact CG1-CB 3.76Å; V782-P842 HydrophobicContact CG1-CG 4.06Å; V782-P842 WeakPolarHBondContact CG1-O 3.28Å; K783-P842 HydrophobicContact CG-CG 3.87Å; P822-P842 HydrophobicContact CB-CB 3.72Å; P822-P842 HydrophobicContact CG-CB 4.1Å; Y824-P842 CarbonylContact O-C 3.57Å; Y824-P842 WeakPolarHBondContact O-CA 3.42Å; Y833-P842 HydrophobicContact CD1-CB 3.73Å; Y833-P842 HydrophobicContact CD1-CG 3.56Å; Y833-P842 HydrophobicContact CD2-CG 3.89Å; Y833-P842 HydrophobicContact CE1-CB 3.61Å; Y833-P842 HydrophobicContact CE1-CG 3.86Å; Y833-P842 HydrophobicContact CE2-CG 4.18Å; Y833-P842 HydrophobicContact CG-CB 4.25Å; Y833-P842 HydrophobicContact CG-CG 3.56Å
843	A	98.1	Very high	95.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-153.8	154.5	177.8	0	0	0	0	0	112.5	I775 P822 T823 Y824 T845	I775-A843 HydrophobicContact CG1-CB 4.47Å; P822-A843 CarbonylContact C-O 3.36Å; T823-A843 PolarHBondContact N-O 3.49Å; Y824-A843 PolarHBondContact N-O 3.42Å; Y824-A843 VanDerWaalsContact N-O 3.09Å; Y824-A843 PolarHBondContact O-N 2.83Å; A843-T845 VanDerWaalsContact C-N 3.34Å; A843-T845 HydrophobicContact CB-CG2 4.08Å; A843-T845 PolarHBondContact O-N 3.37Å
844	W	98.2	Very high	95	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.225	C	C	.	.			trans	-84	79.6	167.7	-65.9	-73.5	0	0	0	110.1	I775 W791 L794 L795 D798 I818 F820 A821 P822 R847	I775-W844 HydrophobicContact CD1-CE3 3.75Å; I775-W844 HydrophobicContact CD1-CZ3 3.83Å; I775-W844 HydrophobicContact CG1-CE3 4.33Å; W791-W844 AromaticContact CE3-CZ2 3.95Å; W791-W844 HydrophobicContact CE3-CZ2 3.95Å; L794-W844 HydrophobicContact CB-CH2 3.37Å; L794-W844 HydrophobicContact CB-CZ2 4.49Å; L794-W844 HydrophobicContact CB-CZ3 3.66Å; L794-W844 HydrophobicContact CD1-CH2 3.93Å; L794-W844 HydrophobicContact CD1-CZ2 4.34Å; L794-W844 HydrophobicContact CG-CH2 4.29Å; L795-W844 HydrophobicContact CD2-CE3 4Å; L795-W844 HydrophobicContact CD2-CH2 4.09Å; L795-W844 HydrophobicContact CD2-CZ3 3.65Å; L795-W844 HydrophobicContact CG-CH2 3.9Å; L795-W844 HydrophobicContact CG-CZ3 3.84Å; D798-W844 HydrophobicContact CB-CE3 4.48Å; I818-W844 HydrophobicContact CG2-CD2 4.18Å; I818-W844 HydrophobicContact CG2-CG 4.39Å; I818-W844 HydrophobicContact CG2-CZ2 3.83Å; F820-W844 AromaticContact CD2-NE1 3.96Å; F820-W844 AromaticContact CE2-CD1 3.83Å; F820-W844 PolarHBondContact O-NE1 3.12Å; A821-W844 VanDerWaalsContact C-NE1 3.29Å; A821-W844 PolarHBondContact O-NE1 2.69Å; P822-W844 HydrophobicContact CG-CZ2 4.45Å; W844-R847 WeakPolarHBondContact O-CD 3.33Å
845	T	98.2	Very high	94.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	23%	0.227	C	C	.	.			trans	-77.5	-33.5	179.9	48	0	0	0	0	112.1	D770 F771 N772 T823 Y824 A843 H895	D770-T845 CarbonylContact C-O 3.45Å; D770-T845 WeakPolarHBondContact CA-O 3.37Å; D770-T845 WeakPolarHBondContact OD1-CB 3.44Å; F771-T845 PolarHBondContact N-O 2.97Å; N772-T845 PolarHBondContact N-O 2.93Å; T823-T845 PolarHBondContact OG1-N 2.99Å; T823-T845 PolarHBondContact OG1-OG1 3.09Å; Y824-T845 WeakPolarHBondContact CB-OG1 3.4Å; Y824-T845 HydrophobicContact CD1-CG2 4.13Å; Y824-T845 HydrophobicContact CG-CG2 4.12Å; A843-T845 VanDerWaalsContact C-N 3.34Å; A843-T845 HydrophobicContact CB-CG2 4.08Å; A843-T845 PolarHBondContact O-N 3.37Å; T845-H895 PolarHBondContact OG1-CE1 3.26Å; T845-H895 PolarHBondContact OG1-ND1 2.86Å
846	D	98.6	Very high	94.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	118	-174.4	-53.7	-100.2	0	0	0	109.8	T563 G769 T823 H895 V898	T563-D846 HydrophobicContact CG2-CB 4.07Å; G769-D846 WeakPolarHBondContact O-CA 3.25Å; T823-D846 WeakPolarHBondContact CB-OD2 3.15Å; T823-D846 HydrophobicContact CG2-CB 4.26Å; T823-D846 PolarHBondContact OG1-N 3.1Å; T823-D846 PolarHBondContact OG1-OD2 3.12Å; D846-H895 IonicContact OD1-ND1 3.92Å; D846-H895 IonicContact OD2-CE1 2.65Å; D846-H895 IonicContact OD2-CG 3.76Å; D846-H895 IonicContact OD2-ND1 3.45Å; D846-H895 PolarHBondContact OD2-ND1 3.4Å; D846-V898 HydrophobicContact CB-CG2 3.88Å
847	R	98.6	Very high	94.2	Very high	1 Å²	1	39 Å²	39	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	156	-169.2	-52.2	-69	-77.6	-95.7	-0.3	111.9	C768 G769 F771 D798 L800 E815 W844 L849	C768-R847 VanDerWaalsContact CA-O 3.23Å; C768-R847 WeakPolarHBondContact CA-O 3.18Å; G769-R847 PolarHBondContact N-O 3.39Å; G769-R847 VanDerWaalsContact N-O 3.16Å; G769-R847 PolarHBondContact O-N 2.97Å; F771-R847 HydrophobicContact CD2-CB 3.61Å; F771-R847 HydrophobicContact CD2-CG 3.96Å; F771-R847 HydrophobicContact CE2-CB 3.62Å; F771-R847 HydrophobicContact CE2-CG 4.46Å; D798-R847 IonicContact OD1-NH1 2.98Å; D798-R847 PolarHBondContact OD1-NH1 2.95Å; D798-R847 IonicContact OD2-CZ 3.26Å; D798-R847 IonicContact OD2-NH1 2.77Å; D798-R847 PolarHBondContact OD2-NH1 3.22Å; D798-R847 IonicContact OD2-NH2 2.65Å; D798-R847 PolarHBondContact OD2-NH2 3.36Å; L800-R847 HydrophobicContact CD2-CB 4.29Å; L800-R847 HydrophobicContact CD2-CG 3.87Å; E815-R847 VanDerWaalsContact CD-NH2 3.27Å; E815-R847 IonicContact OE1-CZ 3.14Å; E815-R847 IonicContact OE1-NE 3.92Å; E815-R847 PolarHBondContact OE1-NE 3.09Å; E815-R847 IonicContact OE1-NH2 2.76Å; E815-R847 PolarHBondContact OE1-NH2 2.86Å; E815-R847 IonicContact OE2-CZ 3.42Å; E815-R847 IonicContact OE2-NE 3.73Å; E815-R847 IonicContact OE2-NH2 2.76Å; E815-R847 PolarHBondContact OE2-NH2 3.3Å; W844-R847 WeakPolarHBondContact O-CD 3.33Å; R847-L849 HydrophobicContact CB-CD1 4.15Å
848	I	98.8	Very high	94.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	119.2	174.1	-54.5	176.1	0	0	0	109.3	V561 T563 W767 C768 Y885 V898 A900 F902	V561-I848 HydrophobicContact CB-CD1 4.39Å; V561-I848 HydrophobicContact CB-CG2 4.09Å; V561-I848 HydrophobicContact CG1-CD1 4.29Å; V561-I848 HydrophobicContact CG1-CG2 3.86Å; V561-I848 WeakPolarHBondContact O-CD1 3.5Å; T563-I848 HydrophobicContact CG2-CG1 4.2Å; W767-I848 WeakPolarHBondContact O-CA 3.43Å; C768-I848 HydrophobicContact CB-CG1 3.92Å; I848-Y885 HydrophobicContact CB-CE2 3.97Å; I848-Y885 HydrophobicContact CD1-CE2 4.28Å; I848-Y885 HydrophobicContact CG1-CE2 4.22Å; I848-Y885 PolarHBondContact N-OH 2.97Å; I848-V898 HydrophobicContact CD1-CG1 3.94Å; I848-V898 HydrophobicContact CG1-CG1 4.16Å; I848-A900 HydrophobicContact CB-CB 4.43Å; I848-A900 HydrophobicContact CD1-CB 3.81Å; I848-A900 HydrophobicContact CG2-CB 4.15Å; I848-F902 HydrophobicContact CG2-CE2 4.41Å; I848-F902 HydrophobicContact CG2-CZ 4.26Å
849	L	98.7	Very high	94.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	155.8	174.9	-70.1	93.3	0	0	0	110.5	W767 F771 L800 K804 F810 F813 E814 E815 R847	W767-L849 PolarHBondContact N-O 3.26Å; W767-L849 PolarHBondContact O-N 3.41Å; F771-L849 HydrophobicContact CD2-CD1 4.32Å; F771-L849 HydrophobicContact CE2-CD1 3.5Å; F771-L849 VanDerWaalsContact CE2-CD1 3.5Å; F771-L849 HydrophobicContact CZ-CD1 4.38Å; L800-L849 HydrophobicContact CD2-CD1 4.25Å; K804-L849 HydrophobicContact CD-CD2 3.91Å; F810-L849 HydrophobicContact CB-CD2 4.03Å; F810-L849 HydrophobicContact CD1-CD2 4.26Å; F810-L849 HydrophobicContact CD2-CD2 4.49Å; F810-L849 HydrophobicContact CG-CD2 4.03Å; F813-L849 HydrophobicContact CB-CB 4.24Å; F813-L849 HydrophobicContact CB-CD2 4.14Å; F813-L849 HydrophobicContact CD1-CB 4.06Å; E814-L849 VanDerWaalsContact O-CA 3.24Å; E814-L849 WeakPolarHBondContact O-CA 3.12Å; E814-L849 WeakPolarHBondContact O-CB 3.14Å; E815-L849 HydrophobicContact CB-CD2 4.27Å; E815-L849 HydrophobicContact CB-CG 4.05Å; E815-L849 HydrophobicContact CG-CG 4.33Å; R847-L849 HydrophobicContact CB-CD1 4.15Å
850	W	98.6	Very high	94.4	Very high	14 Å²	14	22.6 Å²	22.6	5%	0.053	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	159.2	175.7	74.1	102.6	0	0	0	112.7	V765 F766 F813 E814 P879 G880 L882 F902	V765-W850 CarbonylContact O-C 3.55Å; V765-W850 WeakPolarHBondContact O-CA 3.27Å; F766-W850 HydrophobicContact CD1-CB 3.54Å; F766-W850 HydrophobicContact CD1-CG 4.46Å; F766-W850 HydrophobicContact CE1-CB 3.67Å; F766-W850 HydrophobicContact CE1-CG 4.18Å; F766-W850 HydrophobicContact CG-CB 4.37Å; F813-W850 CarbonylContact C-O 3.6Å; F813-W850 VanDerWaalsContact CA-O 3.26Å; F813-W850 WeakPolarHBondContact CA-O 3.24Å; E814-W850 HydrophobicContact CB-CD2 3.91Å; E814-W850 HydrophobicContact CB-CE3 4.17Å; E814-W850 HydrophobicContact CB-CH2 3.79Å; E814-W850 HydrophobicContact CB-CZ2 3.5Å; E814-W850 HydrophobicContact CB-CZ3 4.13Å; E814-W850 HydrophobicContact CG-CZ2 4.3Å; E814-W850 PolarHBondContact N-O 3.28Å; E814-W850 PolarHBondContact O-N 3.35Å; W850-P879 PolarHBondContact NE1-O 3.49Å; W850-G880 PolarHBondContact NE1-O 2.87Å; W850-L882 HydrophobicContact CH2-CB 3.92Å; W850-L882 HydrophobicContact CH2-CD1 4.45Å; W850-L882 HydrophobicContact CH2-CD2 3.9Å; W850-L882 HydrophobicContact CH2-CG 4.32Å; W850-L882 HydrophobicContact CZ2-CB 4.06Å; W850-L882 HydrophobicContact CZ3-CD1 4.45Å; W850-L882 HydrophobicContact CZ3-CD2 4.34Å; W850-F902 HydrophobicContact CB-CE1 4.48Å; W850-F902 HydrophobicContact CD2-CD1 4.23Å; W850-F902 AromaticContact CD2-CE1 3.39Å; W850-F902 HydrophobicContact CD2-CE1 3.39Å; W850-F902 HydrophobicContact CD2-CZ 4.07Å; W850-F902 AromaticContact CE2-CE1 3.77Å; W850-F902 AromaticContact CE3-CE1 3.38Å; W850-F902 HydrophobicContact CE3-CE1 3.38Å; W850-F902 AromaticContact CE3-CZ 3.73Å; W850-F902 HydrophobicContact CE3-CZ 3.73Å; W850-F902 HydrophobicContact CG-CD1 4.47Å; W850-F902 AromaticContact CG-CE1 3.89Å; W850-F902 HydrophobicContact CG-CE1 3.89Å; W850-F902 HydrophobicContact CG-CZ 4.46Å; W850-F902 HydrophobicContact CH2-CE1 4.14Å; W850-F902 HydrophobicContact CZ2-CE1 4.14Å; W850-F902 AromaticContact CZ3-CE1 3.75Å; W850-F902 HydrophobicContact CZ3-CE1 3.75Å; W850-F902 HydrophobicContact CZ3-CZ 4.21Å
851	R	97.3	Very high	94.2	Very high	52 Å²	52	19.6 Å²	19.6	20%	0.196	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	142.5	177.3	171	174.7	170.4	-105.1	2	109.4	L760 Y764 V765 G812 F813	L760-R851 PolarHBondContact O-NH1 2.66Å; Y764-R851 WeakPolarHBondContact CA-O 3.25Å; V765-R851 PolarHBondContact N-O 2.84Å; V765-R851 PolarHBondContact O-N 3.38Å; G812-R851 WeakPolarHBondContact O-CG 3.36Å; F813-R851 HydrophobicContact CD1-CB 3.76Å; F813-R851 HydrophobicContact CD2-CB 4.02Å; F813-R851 HydrophobicContact CE1-CB 3.85Å; F813-R851 HydrophobicContact CE2-CB 4.11Å; F813-R851 HydrophobicContact CG-CB 3.85Å; F813-R851 HydrophobicContact CZ-CB 4.02Å
852	R	95.6	Very high	93.8	Very high	25 Å²	25	26.5 Å²	26.5	9%	0.094	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.6	165.3	-169.9	-169.4	-178.1	172.6	5.1	110.3	D763 Y764 W877 N878 P879 E905	D763-R852 CarbonylContact O-C 3.58Å; D763-R852 WeakPolarHBondContact O-CA 3.29Å; Y764-R852 HydrophobicContact CD1-CB 3.99Å; Y764-R852 HydrophobicContact CD1-CG 4Å; Y764-R852 HydrophobicContact CE1-CB 3.78Å; Y764-R852 HydrophobicContact CE1-CG 3.57Å; Y764-R852 HydrophobicContact CE2-CG 4.18Å; Y764-R852 HydrophobicContact CG-CG 4.48Å; Y764-R852 WeakPolarHBondContact OH-CD 3.37Å; Y764-R852 PolarHBondContact OH-NE 3.36Å; Y764-R852 VanDerWaalsContact OH-NE 3.1Å; Y764-R852 PolarHBondContact OH-NH1 2.8Å; R852-W877 HydrophobicContact CB-CZ2 4.24Å; R852-N878 WeakPolarHBondContact CD-O 3.18Å; R852-N878 PolarHBondContact NH1-O 2.84Å; R852-P879 HydrophobicContact CB-CB 4.28Å; R852-P879 WeakPolarHBondContact CB-O 3.4Å; R852-E905 IonicContact CZ-OE2 3.59Å; R852-E905 VanDerWaalsContact CZ-OE2 3.24Å; R852-E905 IonicContact NH1-OE2 3.61Å; R852-E905 PolarHBondContact NH1-OE2 3.09Å; R852-E905 IonicContact NH2-OE2 3Å; R852-E905 PolarHBondContact NH2-OE2 3.08Å
853	V	90.7	Very high	93.3	Very high	39 Å²	39	28.9 Å²	28.9	24%	0.236	14%	0.139	C	C	.	.			trans	-75.7	142	172	76.5	0	0	0	0	110.8	D763 L855	D763-V853 HydrophobicContact CB-CG1 4.3Å; D763-V853 PolarHBondContact O-N 2.75Å; V853-L855 HydrophobicContact CG1-CD2 3.66Å; V853-L855 HydrophobicContact CG1-CG 4.13Å
854	K	87.6	Confident	92.8	Very high	95 Å²	95	28.8 Å²	28.8	41%	0.413	14%	0.138	S	C	.	.			trans	-94.2	112.3	166.2	-169.6	176.6	-177.6	-175.6	0	107.9	S872 W877	K854-S872 WeakPolarHBondContact CE-OG 3.42Å; K854-S872 PolarHBondContact NZ-OG 3.26Å; K854-W877 HydrophobicContact CB-CZ2 4.32Å
855	L	87.2	Confident	92.4	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.052	15%	0.151	C	C	.	.			trans	-78.8	120.7	-179.8	-62	178.7	0	0	0	110	W520 V524 Y528 Y548 V853 F857	W520-L855 HydrophobicContact CZ3-CD2 4.29Å; V524-L855 HydrophobicContact CG1-CD1 4.22Å; V524-L855 HydrophobicContact CG1-CD2 4.04Å; V524-L855 HydrophobicContact CG2-CD2 4.11Å; Y528-L855 HydrophobicContact CE2-CD1 4.3Å; Y528-L855 VanDerWaalsContact OH-CD1 3.28Å; Y528-L855 WeakPolarHBondContact OH-CD1 3.2Å; Y548-L855 HydrophobicContact CE1-CB 4.38Å; Y548-L855 HydrophobicContact CE2-CD1 4.49Å; V853-L855 HydrophobicContact CG1-CD2 3.66Å; V853-L855 HydrophobicContact CG1-CG 4.13Å; L855-F857 HydrophobicContact CB-CE2 4.12Å
856	T	86.2	Confident	91.9	Very high	23 Å²	23	35.1 Å²	35.1	14%	0.141	17%	0.174	C	C	.	.			trans	-131.7	121.3	173.4	-55.4	0	0	0	0	108.7	W520 M868	W520-T856 VanDerWaalsContact CH2-O 3.25Å; W520-T856 WeakPolarHBondContact CH2-O 3.17Å; T856-M868 HydrophobicContact CG2-CE 3.57Å; T856-M868 HydrophobicContact CG2-SD 4.48Å
857	F	89.9	Confident	91.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.			trans	-111.5	139.9	177.8	-59.9	-80.3	0	0	0	110.4	W520 V524 L545 H546 Y548 L855	W520-F857 AromaticContact CH2-CD1 3.9Å; W520-F857 HydrophobicContact CH2-CD1 3.9Å; W520-F857 AromaticContact CH2-CE1 3.8Å; W520-F857 HydrophobicContact CH2-CE1 3.8Å; W520-F857 HydrophobicContact CH2-CZ 4.5Å; W520-F857 HydrophobicContact CZ3-CD1 4.27Å; W520-F857 AromaticContact CZ3-CE1 3.68Å; W520-F857 HydrophobicContact CZ3-CE1 3.68Å; W520-F857 HydrophobicContact CZ3-CZ 4.19Å; V524-F857 HydrophobicContact CB-CE1 4.47Å; V524-F857 HydrophobicContact CB-CZ 4.33Å; V524-F857 HydrophobicContact CG1-CE1 4.21Å; V524-F857 HydrophobicContact CG1-CZ 3.6Å; L545-F857 HydrophobicContact CB-CB 4.24Å; L545-F857 HydrophobicContact CB-CD1 3.73Å; L545-F857 HydrophobicContact CB-CD2 3.93Å; L545-F857 HydrophobicContact CB-CE1 3.95Å; L545-F857 HydrophobicContact CB-CE2 4.14Å; L545-F857 HydrophobicContact CB-CG 3.7Å; L545-F857 HydrophobicContact CB-CZ 4.12Å; L545-F857 HydrophobicContact CD1-CD1 4.1Å; L545-F857 HydrophobicContact CD1-CE1 3.88Å; L545-F857 HydrophobicContact CD1-CZ 4.49Å; L545-F857 HydrophobicContact CD2-CE1 4.45Å; L545-F857 HydrophobicContact CD2-CZ 4.24Å; L545-F857 HydrophobicContact CG-CD1 4.47Å; L545-F857 HydrophobicContact CG-CE1 4.32Å; L545-F857 WeakPolarHBondContact O-CD2 3.31Å; H546-F857 HydrophobicContact CB-CB 4.32Å; H546-F857 PolarHBondContact ND1-O 2.84Å; Y548-F857 AromaticContact CD1-CD2 3.93Å; Y548-F857 HydrophobicContact CD1-CD2 3.93Å; Y548-F857 AromaticContact CD1-CE2 3.75Å; Y548-F857 HydrophobicContact CD1-CE2 3.75Å; Y548-F857 HydrophobicContact CE1-CD2 4.27Å; Y548-F857 HydrophobicContact CE1-CE2 4.08Å; Y548-F857 HydrophobicContact CG-CE2 4.4Å; L855-F857 HydrophobicContact CB-CE2 4.12Å
858	P	90.8	Very high	90.8	Very high	12 Å²	12	42.4 Å²	42.4	8%	0.078	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	158.2	172.9	29.7	-33.7	0	0	0	110.5	M521 T542 V866 C867 M868	M521-P858 HydrophobicContact CE-CG 3.98Å; T542-P858 CarbonylContact C-O 3.54Å; T542-P858 WeakPolarHBondContact CB-O 3.45Å; T542-P858 HydrophobicContact CG2-CG 3.86Å; P858-V866 HydrophobicContact CB-CG1 3.7Å; P858-V866 HydrophobicContact CG-CG1 4.43Å; P858-C867 VanDerWaalsContact CA-O 3.32Å; P858-C867 WeakPolarHBondContact CA-O 3.13Å; P858-M868 HydrophobicContact CB-SD 3.74Å; P858-M868 HydrophobicContact CG-SD 4.37Å
859	K	90.9	Very high	89.9	Confident	53 Å²	53	46.8 Å²	46.8	23%	0.23	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	169.2	169.3	62.9	154.4	163.8	-174.4	0	111.2	N543 H546 V866 C867	N543-K859 WeakPolarHBondContact OD1-CA 3.38Å; H546-K859 HydrophobicContact CB-CB 4.16Å; H546-K859 VanDerWaalsContact CE1-CG 3.41Å; H546-K859 WeakPolarHBondContact CE1-CG 3.43Å; H546-K859 WeakPolarHBondContact NE2-CD 3.3Å; H546-K859 VanDerWaalsContact NE2-CE 3.33Å; H546-K859 WeakPolarHBondContact NE2-CE 3.25Å; H546-K859 WeakPolarHBondContact NE2-CG 3.41Å; K859-V866 CarbonylContact O-C 3.58Å; K859-V866 WeakPolarHBondContact O-CA 3.32Å; K859-C867 PolarHBondContact N-O 3.36Å; K859-C867 PolarHBondContact O-N 3.47Å
860	T	90.7	Very high	88.5	Confident	14 Å²	14	52.6 Å²	52.6	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	138.2	163.1	51.4	0	0	0	0	111.3	T539 N543 I865 V866	T539-T860 HydrophobicContact CG2-CG2 3.28Å; N543-T860 PolarHBondContact ND2-OG1 3.03Å; N543-T860 PolarHBondContact OD1-N 2.74Å; N543-T860 PolarHBondContact OD1-OG1 2.95Å; T860-I865 CarbonylContact C-O 3.57Å; T860-I865 VanDerWaalsContact CA-O 3.3Å; T860-I865 WeakPolarHBondContact CA-O 3.34Å; T860-V866 HydrophobicContact CG2-CG2 4.46Å
861	D	90.5	Very high	87	Confident	50 Å²	50	53.6 Å²	53.6	27%	0.267	27%	0.27	S	S	.	.			trans	-78.6	-170.3	165	65.1	15.1	0	0	0	112.1	N863 G864 I865	D861-N863 PolarHBondContact O-N 2.82Å; D861-N863 WeakPolarHBondContact OD1-CA 3.5Å; D861-N863 PolarHBondContact OD1-N 3.41Å; D861-G864 PolarHBondContact O-N 3.3Å; D861-G864 VanDerWaalsContact O-N 3.08Å; D861-G864 PolarHBondContact OD1-N 2.85Å; D861-I865 PolarHBondContact N-O 3.06Å; D861-I865 PolarHBondContact OD1-N 2.85Å
862	E	87.2	Confident	85.4	Confident	165 Å²	165	52.2 Å²	52.2	77%	0.771	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.9	178.7	62.1	-173.5	174.5	0	0	113.9	I999	E862-I999 VanDerWaalsContact O-CD1 3.25Å; E862-I999 WeakPolarHBondContact O-CD1 3.43Å
863	N	87.1	Confident	83.7	Confident	50 Å²	50	53.5 Å²	53.5	27%	0.267	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-1.8	176.8	-66.7	-21.4	0	0	0	112.7	D861 I865 E973 Q996	D861-N863 PolarHBondContact O-N 2.82Å; D861-N863 WeakPolarHBondContact OD1-CA 3.5Å; D861-N863 PolarHBondContact OD1-N 3.41Å; N863-I865 VanDerWaalsContact C-N 3.33Å; N863-I865 HydrophobicContact CB-CG1 4.17Å; N863-E973 PolarHBondContact ND2-OE2 3.07Å; N863-Q996 WeakPolarHBondContact O-CG 3.18Å
864	G	87.8	Confident	82.2	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.315	C	S	.	.	S	Bend	trans	79.6	12.8	-175	0	0	0	0	0	113.8	D861 N993	D861-G864 PolarHBondContact O-N 3.3Å; D861-G864 VanDerWaalsContact O-N 3.08Å; D861-G864 PolarHBondContact OD1-N 2.85Å; G864-N993 PolarHBondContact O-ND2 3.47Å
865	I	89.2	Confident	81	Confident	53 Å²	53	62.2 Å²	62.2	27%	0.272	32%	0.324	S	S	.	.			trans	-82.4	132.6	177.1	-56.1	-67.8	0	0	0	109.6	T860 D861 N863 C867 E973	T860-I865 CarbonylContact C-O 3.57Å; T860-I865 VanDerWaalsContact CA-O 3.3Å; T860-I865 WeakPolarHBondContact CA-O 3.34Å; D861-I865 PolarHBondContact N-O 3.06Å; D861-I865 PolarHBondContact OD1-N 2.85Å; N863-I865 VanDerWaalsContact C-N 3.33Å; N863-I865 HydrophobicContact CB-CG1 4.17Å; I865-C867 PolarHBondContact O-N 2.91Å; I865-E973 HydrophobicContact CD1-CB 3.92Å; I865-E973 WeakPolarHBondContact CD1-O 3.38Å; I865-E973 HydrophobicContact CG1-CB 4.24Å
866	V	87.2	Confident	80.4	Confident	80 Å²	80	71.2 Å²	71.2	49%	0.485	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	114.2	178.8	-177.5	0	0	0	0	109.2	T539 P858 K859 T860	T539-V866 HydrophobicContact CG2-CG2 4.41Å; P858-V866 HydrophobicContact CB-CG1 3.7Å; P858-V866 HydrophobicContact CG-CG1 4.43Å; K859-V866 CarbonylContact O-C 3.58Å; K859-V866 WeakPolarHBondContact O-CA 3.32Å; T860-V866 HydrophobicContact CG2-CG2 4.46Å
867	C	89.1	Confident	80.3	Confident	31 Å²	31	75.1 Å²	75.1	21%	0.209	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	156.1	178.2	61.9	0	0	0	0	111.3	P858 K859 I865	P858-C867 VanDerWaalsContact CA-O 3.32Å; P858-C867 WeakPolarHBondContact CA-O 3.13Å; K859-C867 PolarHBondContact N-O 3.36Å; K859-C867 PolarHBondContact O-N 3.47Å; I865-C867 PolarHBondContact O-N 2.91Å
868	M	86	Confident	80.2	Confident	124 Å²	124	77.3 Å²	77.3	61%	0.611	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.3	171.5	-73	-71.2	-78.4	0	0	108.7	T856 P858	T856-M868 HydrophobicContact CG2-CE 3.57Å; T856-M868 HydrophobicContact CG2-SD 4.48Å; P858-M868 HydrophobicContact CB-SD 3.74Å; P858-M868 HydrophobicContact CG-SD 4.37Å
869	Q	79.3	Confident	80.2	Confident	92 Å²	92	78.1 Å²	78.1	43%	0.43	39%	0.391	S	S	.	.			trans	-124.9	143.9	169.1	-68.5	-174.7	1.1	0	0	109.3	N871	Q869-N871 PolarHBondContact O-N 2.76Å; Q869-N871 VanDerWaalsContact O-N 3.11Å; Q869-N871 PolarHBondContact O-OD1 3.38Å
870	N	69.9	Low	80.3	Confident	123 Å²	123	75.7 Å²	75.7	66%	0.658	38%	0.382	S	S	*	.			trans	-70.5	108.5	178.4	-86.7	-29.3	0	0	0	109.8
871	N	67.5	Low	80.4	Confident	34 Å²	34	79.1 Å²	79.1	18%	0.182	39%	0.393	C	S	.	.			trans	-106.9	11.5	-179.1	-89.8	46.6	0	0	0	114.4	H546 Q869	H546-N871 PolarHBondContact CD2-ND2 2.9Å; H546-N871 PolarHBondContact CE1-ND2 2.83Å; H546-N871 PolarHBondContact CE1-OD1 3.23Å; H546-N871 VanDerWaalsContact ND1-CG 3.31Å; H546-N871 PolarHBondContact ND1-ND2 3.29Å; H546-N871 VanDerWaalsContact ND1-ND2 3.17Å; H546-N871 VanDerWaalsContact NE2-CG 3.27Å; H546-N871 PolarHBondContact NE2-ND2 2.82Å; H546-N871 PolarHBondContact NE2-OD1 2.93Å; H546-N871 VanDerWaalsContact NE2-OD1 3.15Å; H546-N871 PolarHBondContact O-ND2 3.33Å; Q869-N871 PolarHBondContact O-N 2.76Å; Q869-N871 VanDerWaalsContact O-N 3.11Å; Q869-N871 PolarHBondContact O-OD1 3.38Å
872	S	63.6	Low	80.7	Confident	24 Å²	24	77.4 Å²	77.4	17%	0.168	38%	0.384	C	S	.	.	S	Bend	trans	-61.9	130.4	169.1	54.2	0	0	0	0	108	K854 D874	K854-S872 WeakPolarHBondContact CE-OG 3.42Å; K854-S872 PolarHBondContact NZ-OG 3.26Å; S872-D874 PolarHBondContact O-N 3.49Å
873	P	60.2	Low	81	Confident	51 Å²	51	69.6 Å²	69.6	33%	0.331	35%	0.348	S	S	.	.			trans	-49.7	142.2	176.8	19.1	-31	0	0	0	110.2	K875	P873-K875 PolarHBondContact O-N 2.84Å
874	D	58	Low	81.4	Confident	180 Å²	180	67.2 Å²	67.2	96%	0.963	34%	0.335	S	S	*	.	S	Bend	trans	-55.4	-7.4	178	-73.2	-37.4	0	0	0	114.2	S872 K876	S872-D874 PolarHBondContact O-N 3.49Å; D874-K876 PolarHBondContact O-N 2.87Å
875	K	62.1	Low	81.9	Confident	138 Å²	138	67.3 Å²	67.3	60%	0.6	34%	0.335	S	S	*	.	S	Bend	trans	-55.2	135.1	165.2	-74.9	-176.2	177.3	178.7	0	109.4	P873 W877	P873-K875 PolarHBondContact O-N 2.84Å; K875-W877 VanDerWaalsContact C-N 3.31Å; K875-W877 PolarHBondContact O-N 3.44Å
876	K	74.4	Confident	82.2	Confident	199 Å²	199	64.8 Å²	64.8	87%	0.865	32%	0.322	S	S	*	.			trans	-53	92.7	173.6	-165.8	174.2	-175	176.7	0	109.7	D874 N878	D874-K876 PolarHBondContact O-N 2.87Å; K876-N878 PolarHBondContact O-N 3.38Å
877	W	85.5	Confident	82.7	Confident	105 Å²	105	61.4 Å²	61.4	40%	0.398	30%	0.301	S	S	.	.			trans	-53.2	134.7	178	175.9	95.8	0	0	0	108.3	R852 K854 K875 P879	R852-W877 HydrophobicContact CB-CZ2 4.24Å; K854-W877 HydrophobicContact CB-CZ2 4.32Å; K875-W877 VanDerWaalsContact C-N 3.31Å; K875-W877 PolarHBondContact O-N 3.44Å; W877-P879 HydrophobicContact CH2-CB 3.92Å; W877-P879 HydrophobicContact CZ3-CB 4.33Å
878	N	87.5	Confident	82.9	Confident	46 Å²	46	60 Å²	60	25%	0.246	29%	0.292	C	S	.	.			trans	-135	149.8	175.3	71.3	82.4	0	0	0	109.7	R852 K876 G880 R881	R852-N878 WeakPolarHBondContact CD-O 3.18Å; R852-N878 PolarHBondContact NH1-O 2.84Å; K876-N878 PolarHBondContact O-N 3.38Å; N878-G880 PolarHBondContact O-N 3.44Å; N878-G880 VanDerWaalsContact OD1-CA 3.31Å; N878-G880 WeakPolarHBondContact OD1-CA 3.31Å; N878-G880 PolarHBondContact OD1-N 2.88Å; N878-R881 PolarHBondContact OD1-N 2.92Å
879	P	90.4	Very high	83.2	Confident	28 Å²	28	57 Å²	57	18%	0.182	28%	0.276	C	S	.	.	S	Bend	trans	-74.7	12.6	-177.9	29.4	-34.3	0	0	0	114.1	E814 W850 R852 W877	E814-P879 HydrophobicContact CG-CB 4.1Å; E814-P879 HydrophobicContact CG-CG 3.79Å; W850-P879 PolarHBondContact NE1-O 3.49Å; R852-P879 HydrophobicContact CB-CB 4.28Å; R852-P879 WeakPolarHBondContact CB-O 3.4Å; W877-P879 HydrophobicContact CH2-CB 3.92Å; W877-P879 HydrophobicContact CZ3-CB 4.33Å
880	G	93.1	Very high	83.8	Confident	3 Å²	3	53 Å²	53	3%	0.031	26%	0.258	C	S	.	.			trans	101.7	126.9	-160.5	0	0	0	0	0	109.2	W850 N878 L882	W850-G880 PolarHBondContact NE1-O 2.87Å; N878-G880 PolarHBondContact O-N 3.44Å; N878-G880 VanDerWaalsContact OD1-CA 3.31Å; N878-G880 WeakPolarHBondContact OD1-CA 3.31Å; N878-G880 PolarHBondContact OD1-N 2.88Å; G880-L882 PolarHBondContact O-N 3.16Å
881	R	93.8	Very high	84.7	Confident	85 Å²	85	48.9 Å²	48.9	32%	0.321	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	110.1	-174.2	-178.8	-174.8	168.9	161	7.6	109.7	S603 D605 N878 L883 F902 N903	S603-R881 PolarHBondContact OG-NH2 3.42Å; D605-R881 IonicContact OD2-CZ 3.58Å; D605-R881 VanDerWaalsContact OD2-CZ 3.26Å; D605-R881 IonicContact OD2-NH1 3.39Å; D605-R881 PolarHBondContact OD2-NH1 2.73Å; D605-R881 IonicContact OD2-NH2 2.85Å; D605-R881 PolarHBondContact OD2-NH2 2.95Å; N878-R881 PolarHBondContact OD1-N 2.92Å; R881-L883 HydrophobicContact CG-CD2 4.07Å; R881-L883 PolarHBondContact O-N 2.95Å; R881-F902 CarbonylContact O-C 3.58Å; R881-F902 VanDerWaalsContact O-CA 3.3Å; R881-F902 WeakPolarHBondContact O-CA 3.35Å; R881-N903 HydrophobicContact CB-CB 4.42Å; R881-N903 PolarHBondContact N-O 2.97Å; R881-N903 PolarHBondContact O-N 2.91Å
882	L	95.9	Very high	85.7	Confident	15 Å²	15	48.6 Å²	48.6	8%	0.079	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	123	169.6	-177.4	72	0	0	0	110.1	Y601 W850 G880 L884 A900 F902	Y601-L882 HydrophobicContact CD1-CD2 3.65Å; Y601-L882 HydrophobicContact CD1-CG 4.14Å; Y601-L882 HydrophobicContact CE1-CB 4.49Å; Y601-L882 HydrophobicContact CE1-CD2 3.55Å; Y601-L882 HydrophobicContact CE1-CG 3.84Å; W850-L882 HydrophobicContact CH2-CB 3.92Å; W850-L882 HydrophobicContact CH2-CD1 4.45Å; W850-L882 HydrophobicContact CH2-CD2 3.9Å; W850-L882 HydrophobicContact CH2-CG 4.32Å; W850-L882 HydrophobicContact CZ2-CB 4.06Å; W850-L882 HydrophobicContact CZ3-CD1 4.45Å; W850-L882 HydrophobicContact CZ3-CD2 4.34Å; G880-L882 PolarHBondContact O-N 3.16Å; L882-L884 VanDerWaalsContact CD1-O 3.31Å; L882-L884 WeakPolarHBondContact CD1-O 3.49Å; L882-A900 HydrophobicContact CD1-CB 4.15Å; L882-F902 HydrophobicContact CB-CD1 4.25Å; L882-F902 HydrophobicContact CB-CE1 4.23Å; L882-F902 HydrophobicContact CD1-CD1 3.85Å; L882-F902 HydrophobicContact CD1-CE1 3.38Å; L882-F902 HydrophobicContact CD1-CE2 4.45Å; L882-F902 HydrophobicContact CD1-CZ 3.75Å; L882-F902 HydrophobicContact CG-CE1 4.4Å
883	L	94.3	Very high	87	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-38.1	176.7	-60.9	-176.4	0	0	0	111.8	S603 F606 R881 I901 N903	S603-L883 PolarHBondContact N-O 3.39Å; F606-L883 HydrophobicContact CB-CB 4.42Å; F606-L883 HydrophobicContact CB-CD2 4.5Å; F606-L883 HydrophobicContact CD1-CB 4.21Å; F606-L883 HydrophobicContact CD2-CB 4.02Å; F606-L883 HydrophobicContact CD2-CD1 3.9Å; F606-L883 HydrophobicContact CD2-CD2 4.36Å; F606-L883 HydrophobicContact CD2-CG 4.33Å; F606-L883 HydrophobicContact CE2-CB 4.34Å; F606-L883 HydrophobicContact CE2-CD1 3.93Å; F606-L883 HydrophobicContact CG-CB 3.97Å; R881-L883 HydrophobicContact CG-CD2 4.07Å; R881-L883 PolarHBondContact O-N 2.95Å; L883-I901 HydrophobicContact CB-CB 4.38Å; L883-I901 HydrophobicContact CB-CG2 4.24Å; L883-I901 HydrophobicContact CD1-CG2 4.07Å; L883-I901 PolarHBondContact N-O 2.82Å; L883-N903 HydrophobicContact CD1-CB 4.44Å
884	L	94.9	Very high	88.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	139.9	-173.5	-179.1	149.8	0	0	0	110.3	L589 A590 I593 Y601 F606 L882 N886 A900 I901	L589-L884 HydrophobicContact CB-CD2 4.48Å; L589-L884 HydrophobicContact CD2-CD2 3.42Å; L589-L884 VanDerWaalsContact CD2-CD2 3.42Å; L589-L884 HydrophobicContact CG-CD2 3.77Å; A590-L884 VanDerWaalsContact CA-CD1 3.41Å; A590-L884 HydrophobicContact CB-CD1 3.55Å; I593-L884 HydrophobicContact CD1-CD1 3.37Å; I593-L884 HydrophobicContact CD1-CD2 4.41Å; I593-L884 HydrophobicContact CD1-CG 3.57Å; I593-L884 HydrophobicContact CG1-CD1 4.4Å; Y601-L884 WeakPolarHBondContact O-CA 3.47Å; F606-L884 HydrophobicContact CE1-CB 4.25Å; F606-L884 HydrophobicContact CE1-CD1 4.18Å; L882-L884 VanDerWaalsContact CD1-O 3.31Å; L882-L884 WeakPolarHBondContact CD1-O 3.49Å; L884-N886 HydrophobicContact CD2-CB 4.3Å; L884-A900 CarbonylContact O-C 3.52Å; L884-A900 WeakPolarHBondContact O-CA 3.48Å; L884-I901 HydrophobicContact CB-CB 4.05Å; L884-I901 HydrophobicContact CB-CD1 4.1Å; L884-I901 HydrophobicContact CB-CG1 4.2Å; L884-I901 HydrophobicContact CD1-CD1 4.21Å; L884-I901 HydrophobicContact CD2-CD1 4.33Å; L884-I901 HydrophobicContact CD2-CG1 4.35Å; L884-I901 HydrophobicContact CG-CD1 4.45Å; L884-I901 PolarHBondContact N-O 2.92Å; L884-I901 PolarHBondContact O-N 2.8Å
885	Y	97.3	Very high	90.5	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	114.5	168.5	-175.3	-145	0	0	0	109.8	Y601 E815 G816 I818 F820 I848 V898 A900	Y601-Y885 PolarHBondContact N-O 3.29Å; Y601-Y885 PolarHBondContact O-N 3.16Å; E815-Y885 HydrophobicContact CG-CE1 4.1Å; E815-Y885 PolarHBondContact OE1-OH 3.01Å; G816-Y885 WeakPolarHBondContact O-CE1 3.26Å; I818-Y885 HydrophobicContact CG1-CE1 3.81Å; F820-Y885 HydrophobicContact CE1-CD1 4.01Å; F820-Y885 HydrophobicContact CE1-CD2 4.38Å; F820-Y885 HydrophobicContact CE1-CE1 4.06Å; F820-Y885 HydrophobicContact CE1-CE2 4.41Å; F820-Y885 HydrophobicContact CE1-CG 4.21Å; F820-Y885 HydrophobicContact CZ-CD1 4.48Å; F820-Y885 HydrophobicContact CZ-CE1 4.07Å; F820-Y885 HydrophobicContact CZ-CE2 4.26Å; F820-Y885 AromaticContact CZ-CZ 3.96Å; I848-Y885 HydrophobicContact CB-CE2 3.97Å; I848-Y885 HydrophobicContact CD1-CE2 4.28Å; I848-Y885 HydrophobicContact CG1-CE2 4.22Å; I848-Y885 PolarHBondContact N-OH 2.97Å; Y885-V898 HydrophobicContact CD2-CG1 4.07Å; Y885-V898 HydrophobicContact CE2-CG1 3.39Å; Y885-A900 HydrophobicContact CD2-CB 3.87Å; Y885-A900 HydrophobicContact CE2-CB 4.5Å
886	N	97	Very high	92.1	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	165.8	-178	-161.1	21.8	0	0	0	111.8	L589 T592 I593 G600 L884 G899	L589-N886 HydrophobicContact CD1-CB 4.15Å; L589-N886 HydrophobicContact CG-CB 4.27Å; T592-N886 PolarHBondContact OG1-ND2 3.4Å; T592-N886 VanDerWaalsContact OG1-ND2 3.1Å; I593-N886 HydrophobicContact CD1-CB 4.38Å; I593-N886 HydrophobicContact CG1-CB 4.27Å; G600-N886 VanDerWaalsContact CA-OD1 3.28Å; G600-N886 WeakPolarHBondContact CA-OD1 3.01Å; L884-N886 HydrophobicContact CD2-CB 4.3Å; N886-G899 PolarHBondContact N-O 3.36Å; N886-G899 PolarHBondContact O-N 3.25Å; N886-G899 VanDerWaalsContact O-O 3.09Å
887	R	96.1	Very high	93.1	Very high	10 Å²	10	21.5 Å²	21.5	4%	0.038	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	157.9	163.8	79.5	-175.6	-164.5	163.4	16.9	111	W599 F820 A821 P822 Y826 E889 P897 V898	W599-R887 HydrophobicContact CZ2-CG 4.28Å; F820-R887 HydrophobicContact CB-CG 3.92Å; F820-R887 HydrophobicContact CD2-CB 4.05Å; F820-R887 HydrophobicContact CD2-CG 4.16Å; F820-R887 HydrophobicContact CE2-CB 4.49Å; F820-R887 HydrophobicContact CG-CB 4.24Å; F820-R887 HydrophobicContact CG-CG 4.17Å; A821-R887 VanDerWaalsContact CB-CZ 3.47Å; A821-R887 VanDerWaalsContact CB-NH1 3.29Å; A821-R887 PolarHBondContact O-NH1 2.85Å; P822-R887 PolarHBondContact O-NH1 3.06Å; Y826-R887 PolarHBondContact OH-NH1 3.05Å; Y826-R887 PolarHBondContact OH-NH2 2.85Å; R887-E889 IonicContact CZ-OE1 2.68Å; R887-E889 IonicContact NE-OE1 2.73Å; R887-E889 PolarHBondContact NE-OE1 3.04Å; R887-E889 IonicContact NH2-OE1 3.07Å; R887-E889 PolarHBondContact NH2-OE1 3.08Å; R887-E889 IonicContact NH2-OE2 3.18Å; R887-E889 PolarHBondContact NH2-OE2 3.06Å; R887-P897 CarbonylContact C-O 3.49Å; R887-P897 WeakPolarHBondContact CA-O 3.41Å; R887-P897 WeakPolarHBondContact CB-O 3.34Å; R887-V898 HydrophobicContact CB-CG2 4.23Å
888	A	94.7	Very high	93.8	Very high	2 Å²	2	16.5 Å²	16.5	2%	0.017	8%	0.081	C	C	.	.			trans	-108.5	156.4	167.6	0	0	0	0	0	111.2	W585 L589 L890 P897	W585-A888 HydrophobicContact CB-CB 3.55Å; W585-A888 HydrophobicContact CG-CB 4.02Å; L589-A888 HydrophobicContact CD1-CB 4.09Å; A888-L890 PolarHBondContact O-N 3.4Å; A888-P897 HydrophobicContact CB-CG 3.98Å; A888-P897 PolarHBondContact N-O 2.89Å; A888-P897 WeakPolarHBondContact O-CD 3.3Å
889	E	92.5	Very high	94.3	Very high	59 Å²	59	14.3 Å²	14.3	28%	0.276	7%	0.069	S	C	.	.			trans	-96.1	55	-174.5	-64.3	-58.2	151.3	0	0	112.3	W599 R887 R896	W599-E889 WeakPolarHBondContact CH2-OE1 3.45Å; W599-E889 WeakPolarHBondContact CZ2-OE1 3.13Å; R887-E889 IonicContact CZ-OE1 2.68Å; R887-E889 IonicContact NE-OE1 2.73Å; R887-E889 PolarHBondContact NE-OE1 3.04Å; R887-E889 IonicContact NH2-OE1 3.07Å; R887-E889 PolarHBondContact NH2-OE1 3.08Å; R887-E889 IonicContact NH2-OE2 3.18Å; R887-E889 PolarHBondContact NH2-OE2 3.06Å; E889-R896 IonicContact OE2-NE 2.87Å; E889-R896 PolarHBondContact OE2-NE 3.31Å
890	L	90.7	Very high	94.6	Very high	10 Å²	10	13 Å²	13	5%	0.052	6%	0.061	C	C	.	.			trans	-85.3	121.2	171.9	-56.3	180	0	0	0	109.9	W564 E580 V582 W585 A888 R896 P897	W564-L890 HydrophobicContact CH2-CB 4.39Å; W564-L890 HydrophobicContact CH2-CD1 4.03Å; W564-L890 HydrophobicContact CZ2-CB 4.15Å; W564-L890 HydrophobicContact CZ2-CD1 4.43Å; W564-L890 HydrophobicContact CZ3-CD1 4.15Å; E580-L890 HydrophobicContact CB-CD2 4.26Å; V582-L890 HydrophobicContact CG2-CD1 4.4Å; W585-L890 HydrophobicContact CB-CD1 4.26Å; A888-L890 PolarHBondContact O-N 3.4Å; L890-R896 WeakPolarHBondContact O-CD 3.47Å; L890-P897 HydrophobicContact CB-CG 4.15Å; L890-P897 HydrophobicContact CD1-CG 3.96Å; L890-P897 HydrophobicContact CG-CG 4.04Å
891	K	90	Very high	94.8	Very high	36 Å²	36	13.4 Å²	13.4	16%	0.157	6%	0.062	C	C	.	.			trans	-100.9	8.1	-167.5	-52.1	-176	-168	-173.1	0	114.9	E580 F829 D831 S893	E580-K891 VanDerWaalsContact OE1-CD 3.25Å; E580-K891 WeakPolarHBondContact OE1-CD 3.26Å; E580-K891 WeakPolarHBondContact OE1-CE 3.24Å; E580-K891 WeakPolarHBondContact OE1-CG 3.47Å; E580-K891 IonicContact OE1-NZ 2.66Å; E580-K891 PolarHBondContact OE2-N 3.33Å; F829-K891 WeakPolarHBondContact CA-O 3.31Å; F829-K891 PolarHBondContact N-O 3.08Å; D831-K891 WeakPolarHBondContact OD1-CE 3.39Å; D831-K891 IonicContact OD1-NZ 3.66Å; D831-K891 PolarHBondContact OD1-NZ 3.47Å; D831-K891 IonicContact OD2-NZ 3.61Å; D831-K891 PolarHBondContact OD2-NZ 3.37Å; K891-S893 PolarHBondContact O-N 2.73Å
892	T	87.7	Confident	95	Very high	27 Å²	27	9.4 Å²	9.4	17%	0.166	5%	0.047	C	C	.	.	S	Bend	trans	-77	-8.7	-179.3	55.1	0	0	0	0	114.2	W564 F829	W564-T892 WeakPolarHBondContact CH2-OG1 3.31Å; W564-T892 WeakPolarHBondContact CZ2-OG1 3.01Å; F829-T892 HydrophobicContact CE1-CG2 4.38Å
893	S	91.7	Very high	94.9	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.007	5%	0.047	C	C	.	.	S	Bend	trans	-124.3	158.7	177.1	179.3	0	0	0	0	109.6	N565 K891 H895	N565-S893 WeakPolarHBondContact O-CB 3.14Å; N565-S893 PolarHBondContact O-OG 2.69Å; K891-S893 PolarHBondContact O-N 2.73Å; S893-H895 PolarHBondContact O-N 3.31Å; S893-H895 PolarHBondContact OG-N 3.1Å; S893-H895 VanDerWaalsContact OG-N 3.16Å
894	D	94	Very high	95	Very high	16 Å²	16	9.4 Å²	9.4	9%	0.086	5%	0.047	C	C	.	.	S	Bend	trans	-74.7	-1.9	168.9	61.9	-27.6	0	0	0	112.3	N567 K825 Y826 L828	N567-D894 WeakPolarHBondContact CB-OD1 3.46Å; N567-D894 PolarHBondContact ND2-OD1 3.47Å; N567-D894 VanDerWaalsContact ND2-OD1 3.13Å; K825-D894 WeakPolarHBondContact CE-OD2 3.4Å; K825-D894 HydrophobicContact CG-CB 3.99Å; K825-D894 IonicContact NZ-OD2 2.73Å; Y826-D894 PolarHBondContact N-O 3.13Å; Y826-D894 WeakPolarHBondContact O-CA 3.48Å; Y826-D894 WeakPolarHBondContact O-CB 3.34Å; L828-D894 HydrophobicContact CD2-CB 4.27Å
895	H	96.1	Very high	95	Very high	6 Å²	6	11.1 Å²	11.1	3%	0.028	6%	0.055	C	C	.	.	S	Bend	trans	-111.7	153	167.8	-71.9	-114.5	0	0	0	112.7	W564 N565 D770 T823 Y824 T845 D846 S893	W564-H895 PolarHBondContact NE1-O 2.84Å; N565-H895 HydrophobicContact CB-CB 3.99Å; N565-H895 PolarHBondContact ND2-NE2 3.13Å; D770-H895 IonicContact OD2-CE1 3.19Å; D770-H895 PolarHBondContact OD2-CE1 2.7Å; D770-H895 IonicContact OD2-NE2 3.34Å; T823-H895 CarbonylContact O-C 3.55Å; T823-H895 VanDerWaalsContact O-CA 3.25Å; T823-H895 WeakPolarHBondContact O-CA 3.36Å; Y824-H895 AromaticContact CD2-CD2 3.64Å; Y824-H895 AromaticContact CD2-CE1 3.43Å; Y824-H895 VanDerWaalsContact CD2-CE1 3.43Å; Y824-H895 WeakPolarHBondContact CD2-CE1 3.12Å; Y824-H895 AromaticContact CD2-NE2 3.12Å; Y824-H895 WeakPolarHBondContact CD2-NE2 3.45Å; Y824-H895 AromaticContact CE2-NE2 3.61Å; Y824-H895 AromaticContact CG-CE1 3.93Å; T845-H895 PolarHBondContact OG1-CE1 3.26Å; T845-H895 PolarHBondContact OG1-ND1 2.86Å; D846-H895 IonicContact OD1-ND1 3.92Å; D846-H895 IonicContact OD2-CE1 2.65Å; D846-H895 IonicContact OD2-CG 3.76Å; D846-H895 IonicContact OD2-ND1 3.45Å; D846-H895 PolarHBondContact OD2-ND1 3.4Å; S893-H895 PolarHBondContact O-N 3.31Å; S893-H895 PolarHBondContact OG-N 3.1Å; S893-H895 VanDerWaalsContact OG-N 3.16Å
896	R	95.9	Very high	94.9	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.055	C	C	.	.			trans	-100.3	132.1	169.3	-64.3	-62.6	-171.4	-92.2	-2	111.3	T823 Y826 C830 D831 E889 L890	T823-R896 PolarHBondContact O-N 3.33Å; Y826-R896 HydrophobicContact CD2-CG 3.93Å; Y826-R896 HydrophobicContact CE2-CG 3.59Å; C830-R896 PolarHBondContact O-NH2 3.16Å; D831-R896 IonicContact OD1-NH2 2.69Å; D831-R896 PolarHBondContact OD1-NH2 3.08Å; E889-R896 IonicContact OE2-NE 2.87Å; E889-R896 PolarHBondContact OE2-NE 3.31Å; L890-R896 WeakPolarHBondContact O-CD 3.47Å
897	P	96.8	Very high	94.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.058	C	C	.	.			trans	-66.7	144.5	178.7	29.6	-39.2	0	0	0	112.3	T563 W564 W585 R887 A888 L890	T563-P897 WeakPolarHBondContact O-CA 3.25Å; W564-P897 HydrophobicContact CB-CB 3.83Å; W564-P897 HydrophobicContact CD2-CB 4.04Å; W564-P897 HydrophobicContact CG-CB 3.65Å; W564-P897 HydrophobicContact CG-CG 4.48Å; W585-P897 HydrophobicContact CD2-CB 3.72Å; W585-P897 HydrophobicContact CD2-CG 4.29Å; W585-P897 HydrophobicContact CE3-CB 4.19Å; W585-P897 HydrophobicContact CG-CB 4.01Å; W585-P897 HydrophobicContact CG-CG 4.15Å; W585-P897 HydrophobicContact CH2-CB 4.42Å; W585-P897 HydrophobicContact CZ2-CB 3.98Å; R887-P897 CarbonylContact C-O 3.49Å; R887-P897 WeakPolarHBondContact CA-O 3.41Å; R887-P897 WeakPolarHBondContact CB-O 3.34Å; A888-P897 HydrophobicContact CB-CG 3.98Å; A888-P897 PolarHBondContact N-O 2.89Å; A888-P897 WeakPolarHBondContact O-CD 3.3Å; L890-P897 HydrophobicContact CB-CG 4.15Å; L890-P897 HydrophobicContact CD1-CG 3.96Å; L890-P897 HydrophobicContact CG-CG 4.04Å
898	V	98.5	Very high	94.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.7	177.9	179.1	0	0	0	0	110	G562 T563 W585 F820 T823 D846 I848 Y885 R887	G562-V898 CarbonylContact C-O 3.59Å; G562-V898 VanDerWaalsContact CA-O 3.24Å; G562-V898 WeakPolarHBondContact CA-O 3.24Å; T563-V898 HydrophobicContact CG2-CB 4Å; T563-V898 PolarHBondContact N-O 3.24Å; T563-V898 PolarHBondContact O-N 2.7Å; W585-V898 VanDerWaalsContact NE1-C 3.3Å; W585-V898 PolarHBondContact NE1-O 3.07Å; F820-V898 HydrophobicContact CE2-CG2 4.42Å; F820-V898 HydrophobicContact CZ-CG1 4.29Å; T823-V898 HydrophobicContact CG2-CG2 3.62Å; D846-V898 HydrophobicContact CB-CG2 3.88Å; I848-V898 HydrophobicContact CD1-CG1 3.94Å; I848-V898 HydrophobicContact CG1-CG1 4.16Å; Y885-V898 HydrophobicContact CD2-CG1 4.07Å; Y885-V898 HydrophobicContact CE2-CG1 3.39Å; R887-V898 HydrophobicContact CB-CG2 4.23Å
899	G	98.4	Very high	94.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.3	178.7	0	0	0	0	0	112.5	V561 N886	V561-G899 CarbonylContact O-C 3.56Å; V561-G899 WeakPolarHBondContact O-CA 3.44Å; N886-G899 PolarHBondContact N-O 3.36Å; N886-G899 PolarHBondContact O-N 3.25Å; N886-G899 VanDerWaalsContact O-O 3.09Å
900	A	98.3	Very high	94.4	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.008	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.6	175.6	0	0	0	0	0	110.9	F560 V561 I848 L882 L884 Y885 F902	F560-A900 WeakPolarHBondContact CA-O 3.42Å; V561-A900 PolarHBondContact N-O 3.29Å; V561-A900 PolarHBondContact O-N 2.83Å; I848-A900 HydrophobicContact CB-CB 4.43Å; I848-A900 HydrophobicContact CD1-CB 3.81Å; I848-A900 HydrophobicContact CG2-CB 4.15Å; L882-A900 HydrophobicContact CD1-CB 4.15Å; L884-A900 CarbonylContact O-C 3.52Å; L884-A900 WeakPolarHBondContact O-CA 3.48Å; Y885-A900 HydrophobicContact CD2-CB 3.87Å; Y885-A900 HydrophobicContact CE2-CB 4.5Å; A900-F902 HydrophobicContact CB-CD2 4.34Å; A900-F902 HydrophobicContact CB-CE2 3.41Å; A900-F902 VanDerWaalsContact CB-CE2 3.41Å; A900-F902 HydrophobicContact CB-CZ 3.64Å
901	I	97.1	Very high	94.2	Very high	11 Å²	11	14 Å²	14	6%	0.056	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.9	177.6	-57.4	173	0	0	0	109	R558 L559 F560 M616 L883 L884	R558-I901 HydrophobicContact CG-CG2 4.12Å; L559-I901 WeakPolarHBondContact O-CA 3.33Å; F560-I901 HydrophobicContact CD2-CG1 4.04Å; M616-I901 HydrophobicContact CE-CD1 3.85Å; M616-I901 HydrophobicContact CE-CG1 4.4Å; M616-I901 HydrophobicContact CE-CG2 3.86Å; M616-I901 HydrophobicContact SD-CD1 4.34Å; M616-I901 HydrophobicContact SD-CG1 4.26Å; M616-I901 HydrophobicContact SD-CG2 3.62Å; L883-I901 HydrophobicContact CB-CB 4.38Å; L883-I901 HydrophobicContact CB-CG2 4.24Å; L883-I901 HydrophobicContact CD1-CG2 4.07Å; L883-I901 PolarHBondContact N-O 2.82Å; L884-I901 HydrophobicContact CB-CB 4.05Å; L884-I901 HydrophobicContact CB-CD1 4.1Å; L884-I901 HydrophobicContact CB-CG1 4.2Å; L884-I901 HydrophobicContact CD1-CD1 4.21Å; L884-I901 HydrophobicContact CD2-CD1 4.33Å; L884-I901 HydrophobicContact CD2-CG1 4.35Å; L884-I901 HydrophobicContact CG-CD1 4.45Å; L884-I901 PolarHBondContact N-O 2.92Å; L884-I901 PolarHBondContact O-N 2.8Å
902	F	96.8	Very high	94.1	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.4	-179.7	-52.3	-96.8	0	0	0	111.5	R558 L559 V561 F766 I848 W850 R881 L882 A900 I904	R558-F902 CarbonylContact C-O 3.58Å; R558-F902 WeakPolarHBondContact CA-O 3.49Å; L559-F902 HydrophobicContact CD1-CB 3.83Å; L559-F902 HydrophobicContact CD1-CD2 3.39Å; L559-F902 HydrophobicContact CD1-CE2 4.27Å; L559-F902 HydrophobicContact CD1-CG 3.95Å; L559-F902 HydrophobicContact CG-CB 3.93Å; L559-F902 HydrophobicContact CG-CD2 4.38Å; L559-F902 PolarHBondContact N-O 2.94Å; L559-F902 PolarHBondContact O-N 3.38Å; V561-F902 HydrophobicContact CB-CE2 4.26Å; V561-F902 HydrophobicContact CG2-CD2 4.31Å; V561-F902 HydrophobicContact CG2-CE2 3.99Å; F766-F902 HydrophobicContact CD1-CD2 4.27Å; F766-F902 HydrophobicContact CD1-CE2 4.02Å; F766-F902 HydrophobicContact CD1-CZ 4.27Å; F766-F902 HydrophobicContact CE1-CB 4.39Å; F766-F902 HydrophobicContact CE1-CD1 4.04Å; F766-F902 AromaticContact CE1-CD2 3.78Å; F766-F902 HydrophobicContact CE1-CD2 3.78Å; F766-F902 HydrophobicContact CE1-CE1 4.22Å; F766-F902 AromaticContact CE1-CE2 3.94Å; F766-F902 HydrophobicContact CE1-CE2 3.94Å; F766-F902 AromaticContact CE1-CG 3.81Å; F766-F902 HydrophobicContact CE1-CG 3.81Å; F766-F902 HydrophobicContact CE1-CZ 4.16Å; I848-F902 HydrophobicContact CG2-CE2 4.41Å; I848-F902 HydrophobicContact CG2-CZ 4.26Å; W850-F902 HydrophobicContact CB-CE1 4.48Å; W850-F902 HydrophobicContact CD2-CD1 4.23Å; W850-F902 AromaticContact CD2-CE1 3.39Å; W850-F902 HydrophobicContact CD2-CE1 3.39Å; W850-F902 HydrophobicContact CD2-CZ 4.07Å; W850-F902 AromaticContact CE2-CE1 3.77Å; W850-F902 AromaticContact CE3-CE1 3.38Å; W850-F902 HydrophobicContact CE3-CE1 3.38Å; W850-F902 AromaticContact CE3-CZ 3.73Å; W850-F902 HydrophobicContact CE3-CZ 3.73Å; W850-F902 HydrophobicContact CG-CD1 4.47Å; W850-F902 AromaticContact CG-CE1 3.89Å; W850-F902 HydrophobicContact CG-CE1 3.89Å; W850-F902 HydrophobicContact CG-CZ 4.46Å; W850-F902 HydrophobicContact CH2-CE1 4.14Å; W850-F902 HydrophobicContact CZ2-CE1 4.14Å; W850-F902 AromaticContact CZ3-CE1 3.75Å; W850-F902 HydrophobicContact CZ3-CE1 3.75Å; W850-F902 HydrophobicContact CZ3-CZ 4.21Å; R881-F902 CarbonylContact O-C 3.58Å; R881-F902 VanDerWaalsContact O-CA 3.3Å; R881-F902 WeakPolarHBondContact O-CA 3.35Å; L882-F902 HydrophobicContact CB-CD1 4.25Å; L882-F902 HydrophobicContact CB-CE1 4.23Å; L882-F902 HydrophobicContact CD1-CD1 3.85Å; L882-F902 HydrophobicContact CD1-CE1 3.38Å; L882-F902 HydrophobicContact CD1-CE2 4.45Å; L882-F902 HydrophobicContact CD1-CZ 3.75Å; L882-F902 HydrophobicContact CG-CE1 4.4Å; A900-F902 HydrophobicContact CB-CD2 4.34Å; A900-F902 HydrophobicContact CB-CE2 3.41Å; A900-F902 VanDerWaalsContact CB-CE2 3.41Å; A900-F902 HydrophobicContact CB-CZ 3.64Å; F902-I904 HydrophobicContact CB-CG2 4.35Å
903	N	94.9	Very high	94.4	Very high	16 Å²	16	20.2 Å²	20.2	9%	0.086	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.9	156.6	-81.2	-6.2	0	0	0	108.1	R558 R881 L883	R558-N903 WeakPolarHBondContact CB-OD1 3.07Å; R558-N903 WeakPolarHBondContact CG-OD1 3.48Å; R558-N903 PolarHBondContact NE-OD1 3.01Å; R881-N903 HydrophobicContact CB-CB 4.42Å; R881-N903 PolarHBondContact N-O 2.97Å; R881-N903 PolarHBondContact O-N 2.91Å; L883-N903 HydrophobicContact CD1-CB 4.44Å
904	I	96.2	Very high	94.5	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	164.8	174.1	67.9	167.8	0	0	0	111.7	N556 L557 L559 I723 Y764 F766 F902	N556-I904 WeakPolarHBondContact CA-O 3.44Å; L557-I904 HydrophobicContact CB-CG1 3.92Å; L557-I904 HydrophobicContact CD2-CD1 4.12Å; L557-I904 HydrophobicContact CD2-CG1 4.34Å; L557-I904 PolarHBondContact N-O 3.26Å; L557-I904 PolarHBondContact O-N 3.17Å; L559-I904 HydrophobicContact CD2-CB 4.43Å; L559-I904 HydrophobicContact CD2-CD1 3.54Å; L559-I904 HydrophobicContact CD2-CG1 3.75Å; L559-I904 HydrophobicContact CD2-CG2 3.86Å; I723-I904 HydrophobicContact CD1-CD1 3.73Å; I723-I904 HydrophobicContact CG1-CD1 4.41Å; Y764-I904 HydrophobicContact CD1-CB 4.45Å; Y764-I904 HydrophobicContact CD1-CG2 4.01Å; Y764-I904 HydrophobicContact CD2-CD1 4.05Å; Y764-I904 HydrophobicContact CE1-CB 3.86Å; Y764-I904 HydrophobicContact CE1-CG2 3.64Å; Y764-I904 HydrophobicContact CE2-CB 4.18Å; Y764-I904 HydrophobicContact CE2-CD1 4.17Å; Y764-I904 HydrophobicContact CG-CD1 4.25Å; F766-I904 HydrophobicContact CZ-CG2 3.87Å; F902-I904 HydrophobicContact CB-CG2 4.35Å
905	E	94.4	Very high	94.4	Very high	36 Å²	36	25.7 Å²	25.7	17%	0.168	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.3	177.7	-69.8	176.8	157.7	0	0	109.9	I554 Y764 R852	I554-E905 HydrophobicContact CG2-CB 3.76Å; I554-E905 HydrophobicContact CG2-CG 3.75Å; Y764-E905 WeakPolarHBondContact CE2-O 3.34Å; Y764-E905 PolarHBondContact OH-N 3.29Å; R852-E905 IonicContact CZ-OE2 3.59Å; R852-E905 VanDerWaalsContact CZ-OE2 3.24Å; R852-E905 IonicContact NH1-OE2 3.61Å; R852-E905 PolarHBondContact NH1-OE2 3.09Å; R852-E905 IonicContact NH2-OE2 3Å; R852-E905 PolarHBondContact NH2-OE2 3.08Å
906	V	94.7	Very high	94.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.1	171.9	175.8	0	0	0	0	108.7	I554 H555 L557 L718 V908 F1067	I554-V906 WeakPolarHBondContact CA-O 3.35Å; H555-V906 PolarHBondContact N-O 3.33Å; H555-V906 PolarHBondContact O-N 3.4Å; L557-V906 HydrophobicContact CB-CG2 3.58Å; L557-V906 HydrophobicContact CD2-CG2 3.98Å; L557-V906 HydrophobicContact CG-CG2 4.3Å; L718-V906 HydrophobicContact CB-CG1 4.35Å; L718-V906 HydrophobicContact CD2-CG1 4.1Å; L718-V906 HydrophobicContact CD2-CG2 4.18Å; L718-V906 HydrophobicContact CG-CG1 3.93Å; L718-V906 WeakPolarHBondContact O-CG1 3.43Å; V906-V908 HydrophobicContact CG1-CG2 4.35Å; V906-F1067 HydrophobicContact CB-CE1 3.98Å; V906-F1067 HydrophobicContact CB-CZ 4.35Å; V906-F1067 HydrophobicContact CG1-CE1 3.86Å; V906-F1067 HydrophobicContact CG1-CZ 3.83Å; V906-F1067 HydrophobicContact CG2-CE1 4.31Å
907	Q	93.3	Very high	94.4	Very high	13 Å²	13	32.2 Å²	32.2	6%	0.061	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121	-179.7	-60.2	-176.7	-2.3	0	0	109.4	Y528 I552 G719 A720 T721	Y528-Q907 PolarHBondContact OH-OE1 3.15Å; I552-Q907 HydrophobicContact CB-CB 4.41Å; I552-Q907 HydrophobicContact CD1-CB 4.44Å; I552-Q907 HydrophobicContact CD1-CG 3.99Å; I552-Q907 HydrophobicContact CG2-CB 4.3Å; G719-Q907 CarbonylContact C-O 3.36Å; A720-Q907 HydrophobicContact CB-CB 4.4Å; A720-Q907 PolarHBondContact N-O 3.06Å; T721-Q907 PolarHBondContact OG1-N 3.2Å
908	V	93.2	Very high	94.3	Very high	11 Å²	11	32.3 Å²	32.3	7%	0.067	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.4	177.5	177.8	0	0	0	0	108.7	I552 Q553 V906 I1062 F1067	I552-V908 CarbonylContact C-O 3.51Å; I552-V908 WeakPolarHBondContact CA-O 3.44Å; Q553-V908 PolarHBondContact N-O 2.92Å; Q553-V908 PolarHBondContact O-N 3.38Å; V906-V908 HydrophobicContact CG1-CG2 4.35Å; V908-I1062 HydrophobicContact CG1-CB 4.27Å; V908-I1062 HydrophobicContact CG2-CD1 4.47Å; V908-F1067 HydrophobicContact CG2-CE2 3.8Å; V908-F1067 HydrophobicContact CG2-CZ 3.79Å
909	I	91.8	Very high	94	Very high	34 Å²	34	33.8 Å²	33.8	17%	0.174	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	124.8	-174.7	-62.2	159.7	0	0	0	110	Q527 F551 A720 R911 R914	Q527-I909 VanDerWaalsContact O-CD1 3.29Å; Q527-I909 WeakPolarHBondContact O-CD1 3.5Å; F551-I909 HydrophobicContact CD2-CG2 4.31Å; A720-I909 HydrophobicContact CB-CD1 4.13Å; A720-I909 HydrophobicContact CB-CG1 4.12Å; I909-R911 PolarHBondContact O-N 3.21Å; I909-R914 HydrophobicContact CG2-CB 4.13Å
910	S	91.1	Very high	93.9	Very high	21 Å²	21	36.5 Å²	36.5	15%	0.147	18%	0.175	C	C	.	.			trans	-80.2	105.3	163.4	172	0	0	0	0	108.8	F551 Q912 S913 R914	F551-S910 PolarHBondContact O-N 2.96Å; S910-Q912 VanDerWaalsContact C-N 3.32Å; S910-Q912 PolarHBondContact O-N 2.81Å; S910-S913 WeakPolarHBondContact CB-OG 3.38Å; S910-S913 PolarHBondContact O-N 2.96Å; S910-S913 WeakPolarHBondContact OG-CB 3.47Å; S910-S913 PolarHBondContact OG-N 2.94Å; S910-S913 PolarHBondContact OG-OG 2.82Å; S910-R914 WeakPolarHBondContact O-CB 3.33Å; S910-R914 PolarHBondContact O-N 2.75Å
911	R	86.6	Confident	93.6	Very high	63 Å²	63	36.8 Å²	36.8	24%	0.238	18%	0.177	C	C	.	.	H	α-helix	trans	-60.7	-39.8	-178.6	-63.2	-163	-160.5	152.4	6.1	113.2	I909 R914 R915 N1058	I909-R911 PolarHBondContact O-N 3.21Å; R911-R914 PolarHBondContact O-N 3.41Å; R911-R915 WeakPolarHBondContact O-CB 3.24Å; R911-R915 PolarHBondContact O-N 3.08Å; R911-N1058 PolarHBondContact NH2-O 2.68Å
912	Q	89.1	Confident	93.3	Very high	149 Å²	149	36.4 Å²	36.4	70%	0.696	18%	0.175	S	C	*	.	H	α-helix	trans	-64.2	-44.8	178.6	-175.9	179.4	1.5	0	0	111.2	S910 K916	S910-Q912 VanDerWaalsContact C-N 3.32Å; S910-Q912 PolarHBondContact O-N 2.81Å; Q912-K916 PolarHBondContact O-N 3.25Å; Q912-K916 VanDerWaalsContact O-N 3.09Å
913	S	94	Very high	93	Very high	44 Å²	44	42 Å²	42	31%	0.308	20%	0.202	S	C	.	.	H	α-helix	trans	-65.7	-42	175.9	-53.6	0	0	0	0	111.3	S910 K916 V917	S910-S913 WeakPolarHBondContact CB-OG 3.38Å; S910-S913 PolarHBondContact O-N 2.96Å; S910-S913 WeakPolarHBondContact OG-CB 3.47Å; S910-S913 PolarHBondContact OG-N 2.94Å; S910-S913 PolarHBondContact OG-OG 2.82Å; S913-K916 WeakPolarHBondContact O-CB 3.35Å; S913-K916 PolarHBondContact O-N 3.08Å; S913-V917 WeakPolarHBondContact O-CG2 3.26Å; S913-V917 PolarHBondContact O-N 3.32Å
914	R	93.9	Very high	92.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-47.6	177.6	-174.9	-178.7	63.1	-170.4	-6.7	110.7	Y528 F551 I909 S910 R911 K916 V917 I918 E1051 E1054	Y528-R914 WeakPolarHBondContact O-CD 3.45Å; Y528-R914 PolarHBondContact O-NH1 3.37Å; F551-R914 VanDerWaalsContact CB-CA 3.47Å; F551-R914 HydrophobicContact CB-CB 3.81Å; F551-R914 VanDerWaalsContact CB-N 3.31Å; F551-R914 HydrophobicContact CD1-CB 4.47Å; F551-R914 HydrophobicContact CD1-CG 4.42Å; F551-R914 HydrophobicContact CD2-CB 3.95Å; F551-R914 HydrophobicContact CD2-CG 3.98Å; F551-R914 HydrophobicContact CE2-CG 4.16Å; F551-R914 HydrophobicContact CG-CB 3.86Å; F551-R914 HydrophobicContact CG-CG 4.11Å; F551-R914 HydrophobicContact CZ-CG 4.45Å; I909-R914 HydrophobicContact CG2-CB 4.13Å; S910-R914 WeakPolarHBondContact O-CB 3.33Å; S910-R914 PolarHBondContact O-N 2.75Å; R911-R914 PolarHBondContact O-N 3.41Å; R914-K916 VanDerWaalsContact C-N 3.3Å; R914-K916 PolarHBondContact O-N 2.96Å; R914-V917 PolarHBondContact O-N 3.33Å; R914-I918 HydrophobicContact CG-CD1 3.68Å; R914-I918 HydrophobicContact CG-CG1 4.24Å; R914-I918 VanDerWaalsContact O-CG1 3.24Å; R914-I918 WeakPolarHBondContact O-CG1 3.41Å; R914-I918 PolarHBondContact O-N 2.92Å; R914-E1051 IonicContact CZ-OE1 3.78Å; R914-E1051 VanDerWaalsContact CZ-OE1 3.28Å; R914-E1051 IonicContact CZ-OE2 3.37Å; R914-E1051 IonicContact NE-OE1 3.56Å; R914-E1051 PolarHBondContact NE-OE1 2.91Å; R914-E1051 IonicContact NH2-OE1 3.91Å; R914-E1051 PolarHBondContact NH2-OE1 2.99Å; R914-E1051 IonicContact NH2-OE2 3.17Å; R914-E1051 PolarHBondContact NH2-OE2 3.27Å; R914-E1054 IonicContact CZ-OE1 2.99Å; R914-E1054 IonicContact CZ-OE2 3.24Å; R914-E1054 IonicContact NH1-OE1 2.69Å; R914-E1054 PolarHBondContact NH1-OE1 3.33Å; R914-E1054 IonicContact NH1-OE2 2.77Å; R914-E1054 PolarHBondContact NH1-OE2 3.11Å; R914-E1054 VanDerWaalsContact NH1-OE2 3.1Å; R914-E1054 VanDerWaalsContact NH2-CD 3.26Å; R914-E1054 IonicContact NH2-OE1 3.67Å; R914-E1054 IonicContact NH2-OE2 2.78Å; R914-E1054 PolarHBondContact NH2-OE2 2.8Å
915	R	92.2	Very high	92.2	Very high	133 Å²	133	45.8 Å²	45.8	50%	0.502	22%	0.221	S	C	.	.	H	α-helix	trans	-56.1	-44.9	175.9	-176.4	176.2	69.8	158.7	1.1	111.5	R911 I918 S919 I1047	R911-R915 WeakPolarHBondContact O-CB 3.24Å; R911-R915 PolarHBondContact O-N 3.08Å; R915-I918 PolarHBondContact O-N 2.88Å; R915-S919 WeakPolarHBondContact O-CB 3.47Å; R915-S919 PolarHBondContact O-N 3.32Å; R915-I1047 HydrophobicContact CG-CG2 3.86Å
916	K	94.7	Very high	91.8	Very high	139 Å²	139	44.5 Å²	44.5	60%	0.604	22%	0.218	S	C	*	.	H	α-helix	trans	-60.1	-52.5	176.1	-174.4	-178.5	178.1	-177.3	0	111.2	Q912 S913 R914 I918 S919 D920	Q912-K916 PolarHBondContact O-N 3.25Å; Q912-K916 VanDerWaalsContact O-N 3.09Å; S913-K916 WeakPolarHBondContact O-CB 3.35Å; S913-K916 PolarHBondContact O-N 3.08Å; R914-K916 VanDerWaalsContact C-N 3.3Å; R914-K916 PolarHBondContact O-N 2.96Å; K916-I918 VanDerWaalsContact C-N 3.34Å; K916-I918 PolarHBondContact O-N 2.84Å; K916-S919 WeakPolarHBondContact O-CB 3.25Å; K916-S919 PolarHBondContact O-N 3.43Å; K916-S919 VanDerWaalsContact O-N 3.12Å; K916-D920 PolarHBondContact O-N 3.05Å
917	V	95.9	Very high	91.3	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.024	22%	0.219	C	C	.	.	H	α-helix	trans	-60	-43.1	179.7	171	0	0	0	0	111.8	R547 E550 F551 S913 R914 S919 D920 V921	R547-V917 HydrophobicContact CB-CG1 3.67Å; E550-V917 HydrophobicContact CB-CG2 3.92Å; F551-V917 HydrophobicContact CD1-CB 3.98Å; F551-V917 HydrophobicContact CD1-CG1 3.96Å; F551-V917 HydrophobicContact CD1-CG2 4.09Å; F551-V917 HydrophobicContact CE1-CG1 4.07Å; S913-V917 WeakPolarHBondContact O-CG2 3.26Å; S913-V917 PolarHBondContact O-N 3.32Å; R914-V917 PolarHBondContact O-N 3.33Å; V917-S919 VanDerWaalsContact C-N 3.32Å; V917-S919 PolarHBondContact O-N 2.68Å; V917-D920 PolarHBondContact O-N 2.97Å; V917-V921 HydrophobicContact CG1-CG2 4.23Å; V917-V921 WeakPolarHBondContact O-CB 3.34Å; V917-V921 VanDerWaalsContact O-CG2 3.24Å; V917-V921 WeakPolarHBondContact O-CG2 3.23Å; V917-V921 PolarHBondContact O-N 3.36Å
918	I	94.4	Very high	90.8	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-43.9	176.8	-64	163.2	0	0	0	110.3	L533 I544 R914 R915 K916 A922 M1043 I1047	L533-I918 HydrophobicContact CD2-CD1 3.68Å; L533-I918 HydrophobicContact CD2-CG1 4.11Å; L533-I918 HydrophobicContact CD2-CG2 4.07Å; I544-I918 HydrophobicContact CD1-CB 4.48Å; I544-I918 HydrophobicContact CD1-CG1 4.19Å; I544-I918 HydrophobicContact CD1-CG2 4.02Å; I544-I918 HydrophobicContact CG1-CG1 4.44Å; I544-I918 HydrophobicContact CG2-CG1 3.83Å; R914-I918 HydrophobicContact CG-CD1 3.68Å; R914-I918 HydrophobicContact CG-CG1 4.24Å; R914-I918 VanDerWaalsContact O-CG1 3.24Å; R914-I918 WeakPolarHBondContact O-CG1 3.41Å; R914-I918 PolarHBondContact O-N 2.92Å; R915-I918 PolarHBondContact O-N 2.88Å; K916-I918 VanDerWaalsContact C-N 3.34Å; K916-I918 PolarHBondContact O-N 2.84Å; I918-A922 WeakPolarHBondContact O-CB 3.16Å; I918-A922 PolarHBondContact O-N 3.3Å; I918-M1043 HydrophobicContact CG2-CE 4.26Å; I918-I1047 HydrophobicContact CB-CD1 4.45Å; I918-I1047 HydrophobicContact CG2-CD1 3.62Å; I918-I1047 HydrophobicContact CG2-CG1 3.67Å
919	S	93.8	Very high	90.4	Very high	31 Å²	31	46.9 Å²	46.9	22%	0.217	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-51	177.4	-166.4	0	0	0	0	111.5	R915 K916 V917 V921 A922 E923	R915-S919 WeakPolarHBondContact O-CB 3.47Å; R915-S919 PolarHBondContact O-N 3.32Å; K916-S919 WeakPolarHBondContact O-CB 3.25Å; K916-S919 PolarHBondContact O-N 3.43Å; K916-S919 VanDerWaalsContact O-N 3.12Å; V917-S919 VanDerWaalsContact C-N 3.32Å; V917-S919 PolarHBondContact O-N 2.68Å; S919-V921 VanDerWaalsContact C-N 3.34Å; S919-V921 PolarHBondContact O-N 2.78Å; S919-A922 PolarHBondContact O-N 3.14Å; S919-E923 WeakPolarHBondContact O-CB 3.46Å; S919-E923 PolarHBondContact O-N 2.91Å
920	D	94.8	Very high	90.3	Very high	56 Å²	56	45.6 Å²	45.6	30%	0.299	23%	0.225	S	C	.	.	H	α-helix	trans	-58.2	-45.8	-179.7	-63	-7.5	0	0	0	111.3	R547 K916 V917 D924	R547-D920 IonicContact NH1-OD2 3.64Å; R547-D920 IonicContact NH2-OD2 3.4Å; R547-D920 PolarHBondContact NH2-OD2 2.97Å; K916-D920 PolarHBondContact O-N 3.05Å; V917-D920 PolarHBondContact O-N 2.97Å; D920-D924 PolarHBondContact O-N 3.13Å; D920-D924 VanDerWaalsContact O-N 3.12Å
921	V	93.7	Very high	90.4	Very high	8 Å²	8	45 Å²	45	5%	0.048	22%	0.22	C	C	.	.	H	α-helix	trans	-70.3	-38.8	-179.7	176.8	0	0	0	0	111.2	L540 N543 I544 V917 S919 E923 D924 Y925	L540-V921 HydrophobicContact CD1-CG1 3.79Å; N543-V921 HydrophobicContact CB-CG1 3.51Å; I544-V921 HydrophobicContact CG1-CB 4.04Å; I544-V921 HydrophobicContact CG1-CG1 3.92Å; I544-V921 HydrophobicContact CG1-CG2 4.46Å; V917-V921 HydrophobicContact CG1-CG2 4.23Å; V917-V921 WeakPolarHBondContact O-CB 3.34Å; V917-V921 VanDerWaalsContact O-CG2 3.24Å; V917-V921 WeakPolarHBondContact O-CG2 3.23Å; V917-V921 PolarHBondContact O-N 3.36Å; S919-V921 VanDerWaalsContact C-N 3.34Å; S919-V921 PolarHBondContact O-N 2.78Å; V921-E923 VanDerWaalsContact C-N 3.34Å; V921-D924 PolarHBondContact O-N 2.77Å; V921-Y925 WeakPolarHBondContact O-CB 3.48Å; V921-Y925 PolarHBondContact O-N 3.08Å
922	A	90.4	Very high	90.8	Very high	3 Å²	3	42 Å²	42	3%	0.025	21%	0.209	C	C	.	.	H	α-helix	trans	-63.5	-41.6	177.5	0	0	0	0	0	111.8	I918 S919 Y925 G926 W1039 M1043	I918-A922 WeakPolarHBondContact O-CB 3.16Å; I918-A922 PolarHBondContact O-N 3.3Å; S919-A922 PolarHBondContact O-N 3.14Å; A922-Y925 PolarHBondContact O-N 3.03Å; A922-G926 PolarHBondContact O-N 3.49Å; A922-W1039 VanDerWaalsContact O-CH2 3.26Å; A922-W1039 WeakPolarHBondContact O-CH2 3.17Å; A922-W1039 WeakPolarHBondContact O-CZ3 3.46Å; A922-M1043 HydrophobicContact CB-CE 3.96Å; A922-M1043 HydrophobicContact CB-CG 3.79Å
923	E	90.1	Very high	91.1	Very high	119 Å²	119	36.9 Å²	36.9	56%	0.556	19%	0.185	S	C	*	.	H	α-helix	trans	-62.4	-47.5	176.3	-170.5	174.8	175.5	0	0	111.7	S919 V921 Y925 L1040	S919-E923 WeakPolarHBondContact O-CB 3.46Å; S919-E923 PolarHBondContact O-N 2.91Å; V921-E923 VanDerWaalsContact C-N 3.34Å; E923-Y925 VanDerWaalsContact C-N 3.34Å; E923-Y925 PolarHBondContact O-N 2.84Å; E923-L1040 HydrophobicContact CB-CD1 4.43Å
924	D	88.5	Confident	91.2	Very high	91 Å²	91	34.8 Å²	34.8	49%	0.487	17%	0.17	S	C	.	.	H	α-helix	trans	-67.3	-31.5	177.7	178.4	59.4	0	0	0	113.6	D920 V921 K995	D920-D924 PolarHBondContact O-N 3.13Å; D920-D924 VanDerWaalsContact O-N 3.12Å; V921-D924 PolarHBondContact O-N 2.77Å; D924-K995 IonicContact OD1-NZ 2.81Å; D924-K995 PolarHBondContact OD1-NZ 3.31Å; D924-K995 IonicContact OD2-NZ 3.07Å
925	Y	85.9	Confident	91.3	Very high	5 Å²	5	37.1 Å²	37.1	2%	0.02	18%	0.183	C	C	.	.	H	α-helix	trans	-72.8	-37.4	-178	-172.5	-106.9	0	0	0	112.5	T537 T539 L540 V921 A922 E923 N993 S994 K995	T537-Y925 WeakPolarHBondContact OG1-CE1 3.32Å; T537-Y925 PolarHBondContact OG1-OH 3.15Å; T539-Y925 WeakPolarHBondContact CB-OH 3.13Å; T539-Y925 HydrophobicContact CG2-CE2 3.69Å; L540-Y925 HydrophobicContact CB-CD1 4.03Å; L540-Y925 HydrophobicContact CB-CE1 3.95Å; L540-Y925 HydrophobicContact CB-CG 4.37Å; L540-Y925 HydrophobicContact CD1-CD1 4.26Å; L540-Y925 HydrophobicContact CD1-CG 4.18Å; L540-Y925 HydrophobicContact CD2-CD1 4.44Å; L540-Y925 HydrophobicContact CG-CD1 4.48Å; V921-Y925 WeakPolarHBondContact O-CB 3.48Å; V921-Y925 PolarHBondContact O-N 3.08Å; A922-Y925 PolarHBondContact O-N 3.03Å; E923-Y925 VanDerWaalsContact C-N 3.34Å; E923-Y925 PolarHBondContact O-N 2.84Å; Y925-N993 HydrophobicContact CE2-CB 4.18Å; Y925-S994 VanDerWaalsContact CE1-OG 3.22Å; Y925-S994 WeakPolarHBondContact CE1-OG 3.21Å; Y925-S994 CarbonylContact O-C 3.27Å; Y925-S994 VanDerWaalsContact O-C 3.3Å; Y925-S994 WeakPolarHBondContact O-CB 3.3Å; Y925-K995 PolarHBondContact O-N 2.86Å
926	G	85.2	Confident	91.3	Very high	9 Å²	9	31.2 Å²	31.2	9%	0.093	16%	0.161	C	C	.	.			trans	87.9	-170.5	-178.9	0	0	0	0	0	114.9	A922	A922-G926 PolarHBondContact O-N 3.49Å
927	P	85.7	Confident	91.1	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.032	16%	0.159	C	C	.	.			trans	-59.4	136.9	-175	-21.9	30.8	0	0	0	113.5	N929 A930 S994 L1033 W1039	P927-N929 VanDerWaalsContact C-N 3.25Å; P927-N929 PolarHBondContact O-N 3.35Å; P927-N929 VanDerWaalsContact O-N 3.12Å; P927-A930 PolarHBondContact O-N 2.99Å; P927-S994 WeakPolarHBondContact O-CB 3.31Å; P927-S994 PolarHBondContact O-OG 3.47Å; P927-L1033 HydrophobicContact CG-CB 4.41Å; P927-L1033 HydrophobicContact CG-CD1 4.11Å; P927-W1039 HydrophobicContact CB-CD2 4.38Å; P927-W1039 HydrophobicContact CB-CG 4.19Å; P927-W1039 HydrophobicContact CG-CD2 4.2Å; P927-W1039 HydrophobicContact CG-CG 4.12Å
928	I	81.9	Confident	90.8	Very high	52 Å²	52	30.9 Å²	30.9	27%	0.267	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.8	-171.2	-161.1	169	0	0	0	115.2	R198 T537 A930	R198-I928 HydrophobicContact CG-CD1 4.49Å; T537-I928 HydrophobicContact CG2-CD1 4.13Å; T537-I928 HydrophobicContact CG2-CG1 3.51Å; I928-A930 VanDerWaalsContact C-N 3.29Å; I928-A930 PolarHBondContact O-N 3.17Å
929	N	84.2	Confident	90.5	Very high	16 Å²	16	31.5 Å²	31.5	9%	0.086	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-10	-175.6	65.9	-0.7	0	0	0	114.1	P927 T931 Y1034	P927-N929 VanDerWaalsContact C-N 3.25Å; P927-N929 PolarHBondContact O-N 3.35Å; P927-N929 VanDerWaalsContact O-N 3.12Å; N929-T931 PolarHBondContact O-N 2.75Å; N929-T931 VanDerWaalsContact O-N 3.08Å; N929-T931 PolarHBondContact O-OG1 3.49Å; N929-T931 PolarHBondContact OD1-N 2.91Å; N929-Y1034 PolarHBondContact ND2-O 3.28Å
930	A	90.8	Very high	90.2	Very high	8 Å²	8	32.2 Å²	32.2	7%	0.066	16%	0.164	C	C	.	.			trans	48.9	37.2	179	0	0	0	0	0	114.4	P927 I928 Y991 A997	P927-A930 PolarHBondContact O-N 2.99Å; I928-A930 VanDerWaalsContact C-N 3.29Å; I928-A930 PolarHBondContact O-N 3.17Å; A930-Y991 PolarHBondContact O-N 3.13Å; A930-A997 HydrophobicContact CB-CB 4.45Å; A930-A997 WeakPolarHBondContact O-CB 3.45Å
931	T	93.1	Very high	89.7	Confident	8 Å²	8	30.3 Å²	30.3	5%	0.049	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.6	-171.3	-56.4	0	0	0	0	111.9	N929 L988 L989 I990 Y1034	N929-T931 PolarHBondContact O-N 2.75Å; N929-T931 VanDerWaalsContact O-N 3.08Å; N929-T931 PolarHBondContact O-OG1 3.49Å; N929-T931 PolarHBondContact OD1-N 2.91Å; T931-L988 HydrophobicContact CG2-CB 3.88Å; T931-L988 HydrophobicContact CG2-CD1 4.31Å; T931-L988 HydrophobicContact CG2-CD2 4.29Å; T931-L988 HydrophobicContact CG2-CG 4.38Å; T931-L989 CarbonylContact C-O 3.6Å; T931-L989 WeakPolarHBondContact CA-O 3.33Å; T931-I990 HydrophobicContact CG2-CG1 4.19Å; T931-Y1034 HydrophobicContact CG2-CD1 4.08Å; T931-Y1034 HydrophobicContact CG2-CG 4.17Å; T931-Y1034 PolarHBondContact O-N 3.07Å
932	V	94.8	Very high	89.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.3	172.7	-177.5	0	0	0	0	109	V934 L988 L989 Y991 A997 A1000 A1001 T1031 S1032 L1033	V932-V934 HydrophobicContact CG1-CG2 4.16Å; V932-L988 CarbonylContact O-C 3.59Å; V932-L988 WeakPolarHBondContact O-CA 3.45Å; V932-L989 HydrophobicContact CB-CB 4.31Å; V932-L989 PolarHBondContact N-O 3.19Å; V932-L989 PolarHBondContact O-N 3.12Å; V932-Y991 HydrophobicContact CB-CE2 4.26Å; V932-Y991 HydrophobicContact CG2-CD2 3.91Å; V932-Y991 HydrophobicContact CG2-CE2 3.67Å; V932-A997 HydrophobicContact CG2-CB 3.88Å; V932-A997 WeakPolarHBondContact CG2-O 3.17Å; V932-A1000 HydrophobicContact CG2-CB 4.36Å; V932-A1001 HydrophobicContact CG1-CB 3.89Å; V932-A1001 HydrophobicContact CG2-CB 4.03Å; V932-T1031 HydrophobicContact CG1-CG2 4.4Å; V932-S1032 CarbonylContact C-O 3.5Å; V932-S1032 WeakPolarHBondContact CA-O 3.21Å; V932-L1033 HydrophobicContact CG2-CD2 4.48Å
933	Q	95.6	Very high	89	Confident	41 Å²	41	38.1 Å²	38.1	19%	0.192	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	132	166.9	-177	178.4	-46.5	0	0	109.3	D935 T986 I987 L988 T1031 S1032 Y1034	Q933-D935 PolarHBondContact NE2-OD1 3.3Å; Q933-D935 PolarHBondContact NE2-OD2 2.72Å; Q933-T986 HydrophobicContact CG-CG2 3.45Å; Q933-T986 VanDerWaalsContact CG-CG2 3.45Å; Q933-I987 CarbonylContact C-O 3.55Å; Q933-L988 HydrophobicContact CB-CD2 3.8Å; Q933-L988 HydrophobicContact CG-CD2 3.95Å; Q933-T1031 CarbonylContact O-C 2.99Å; Q933-T1031 WeakPolarHBondContact O-CA 3.12Å; Q933-S1032 PolarHBondContact N-O 2.84Å; Q933-S1032 PolarHBondContact O-N 3.29Å; Q933-Y1034 HydrophobicContact CB-CD2 4.34Å
934	V	96.4	Very high	88.6	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	104.5	179.3	-173.5	0	0	0	0	108.3	V932 L936 T986 I987 L989 L1029 S1030 T1031	V932-V934 HydrophobicContact CG1-CG2 4.16Å; V934-L936 HydrophobicContact CG1-CD2 3.79Å; V934-T986 WeakPolarHBondContact O-CA 3.34Å; V934-I987 HydrophobicContact CB-CB 4.33Å; V934-I987 PolarHBondContact N-O 3.35Å; V934-I987 PolarHBondContact O-N 3.29Å; V934-L989 HydrophobicContact CG2-CD1 3.69Å; V934-L989 HydrophobicContact CG2-CG 3.84Å; V934-L1029 HydrophobicContact CG1-CB 4.16Å; V934-L1029 HydrophobicContact CG1-CD1 4.15Å; V934-L1029 HydrophobicContact CG1-CD2 3.86Å; V934-L1029 HydrophobicContact CG1-CG 4.28Å; V934-S1030 CarbonylContact C-O 3.52Å; V934-S1030 WeakPolarHBondContact CA-O 3.22Å; V934-T1031 HydrophobicContact CB-CG2 4.16Å; V934-T1031 HydrophobicContact CG1-CG2 3.96Å; V934-T1031 HydrophobicContact CG2-CG2 3.83Å
935	D	94.9	Very high	88.4	Confident	50 Å²	50	39.9 Å²	39.9	27%	0.267	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	131.4	174.9	-59.1	-49.9	0	0	0	109.7	Q933 T986 S1030	Q933-D935 PolarHBondContact NE2-OD1 3.3Å; Q933-D935 PolarHBondContact NE2-OD2 2.72Å; D935-T986 WeakPolarHBondContact OD1-CB 3.44Å; D935-T986 WeakPolarHBondContact OD1-CG2 3.37Å; D935-T986 PolarHBondContact OD1-OG1 2.89Å; D935-S1030 PolarHBondContact N-O 3.33Å; D935-S1030 PolarHBondContact O-N 3.23Å
936	L	92.7	Very high	88.3	Confident	9 Å²	9	44.8 Å²	44.8	5%	0.047	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130	-171.6	-51.3	179.8	0	0	0	110.7	V934 L955 F961 L985 I987 I1027 L1029	V934-L936 HydrophobicContact CG1-CD2 3.79Å; L936-L955 HydrophobicContact CD1-CD1 3.59Å; L936-F961 HydrophobicContact CD1-CE1 4.23Å; L936-F961 HydrophobicContact CD1-CZ 3.92Å; L936-F961 HydrophobicContact CD2-CZ 4.23Å; L936-L985 HydrophobicContact CB-CD2 4.43Å; L936-L985 WeakPolarHBondContact CB-O 3.37Å; L936-L985 WeakPolarHBondContact CG-O 3.43Å; L936-L985 PolarHBondContact N-O 3.28Å; L936-I987 HydrophobicContact CD1-CD1 3.75Å; L936-I987 HydrophobicContact CD1-CG1 4.11Å; L936-I1027 HydrophobicContact CB-CG2 4.19Å; L936-I1027 HydrophobicContact CD2-CG2 3.99Å; L936-L1029 HydrophobicContact CD2-CD2 3.32Å
937	K	90.8	Very high	88	Confident	128 Å²	128	46.3 Å²	46.3	56%	0.557	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.9	168.5	-68.9	179.4	-177.3	172.7	0	109.8	L946 H1028	K937-L946 HydrophobicContact CB-CD1 3.99Å; K937-L946 HydrophobicContact CG-CD1 4.37Å; K937-H1028 HydrophobicContact CB-CB 4.21Å; K937-H1028 PolarHBondContact N-O 2.79Å; K937-H1028 PolarHBondContact O-N 3.34Å
938	I	89	Confident	87.1	Confident	8 Å²	8	49.7 Å²	49.7	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121.1	179.7	-47	177	0	0	0	108.5	L947 V951 L955 L985 W1011 E1026 I1027	I938-L947 HydrophobicContact CB-CB 4.44Å; I938-L947 HydrophobicContact CG2-CD1 4.15Å; I938-L947 HydrophobicContact CG2-CD2 4.32Å; I938-L947 WeakPolarHBondContact O-CD1 3.19Å; I938-L947 PolarHBondContact O-N 3.21Å; I938-V951 HydrophobicContact CD1-CB 4.18Å; I938-V951 HydrophobicContact CD1-CG1 3.58Å; I938-L955 HydrophobicContact CD1-CD1 3.92Å; I938-L955 HydrophobicContact CD1-CG 4.41Å; I938-L955 HydrophobicContact CG1-CD1 4.49Å; I938-L985 HydrophobicContact CD1-CD2 4.27Å; I938-W1011 HydrophobicContact CD1-CH2 4.4Å; I938-W1011 HydrophobicContact CD1-CZ3 4.12Å; I938-W1011 HydrophobicContact CG2-CE3 3.83Å; I938-W1011 HydrophobicContact CG2-CZ3 3.7Å; I938-E1026 WeakPolarHBondContact CA-O 3.43Å; I938-I1027 HydrophobicContact CG1-CG1 4.44Å
939	V	89.4	Confident	86.2	Confident	14 Å²	14	53.8 Å²	53.8	9%	0.085	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	150.2	179.1	-55.9	0	0	0	0	110.9	Q945 L946 Y1025 E1026 H1028	V939-Q945 VanDerWaalsContact CA-O 3.31Å; V939-Q945 WeakPolarHBondContact CA-O 3.35Å; V939-L946 HydrophobicContact CG1-CD1 4.16Å; V939-Y1025 WeakPolarHBondContact O-CA 3.36Å; V939-E1026 HydrophobicContact CG2-CB 3.77Å; V939-E1026 PolarHBondContact N-O 3.25Å; V939-E1026 PolarHBondContact O-N 2.85Å; V939-H1028 VanDerWaalsContact CG2-CD2 3.48Å; V939-H1028 WeakPolarHBondContact CG2-CD2 3.41Å; V939-H1028 VanDerWaalsContact CG2-NE2 3.3Å; V939-H1028 WeakPolarHBondContact CG2-NE2 3.47Å
940	E	86.5	Confident	85.3	Confident	47 Å²	47	59.1 Å²	59.1	22%	0.22	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	128	166.9	161.7	167.6	-137.3	0	0	109.7	N942 S943 K944 Q945 L947 I1021	E940-N942 VanDerWaalsContact C-N 3.27Å; E940-N942 PolarHBondContact O-N 2.76Å; E940-S943 WeakPolarHBondContact CB-OG 3.4Å; E940-S943 WeakPolarHBondContact CG-OG 3.24Å; E940-S943 WeakPolarHBondContact OE2-CB 3.41Å; E940-S943 PolarHBondContact OE2-OG 3.3Å; E940-K944 VanDerWaalsContact O-CA 3.25Å; E940-K944 WeakPolarHBondContact O-CA 3.26Å; E940-K944 PolarHBondContact O-N 3.02Å; E940-Q945 PolarHBondContact N-O 3.48Å; E940-L947 HydrophobicContact CB-CD1 4.49Å; E940-I1021 HydrophobicContact CB-CD1 3.81Å; E940-I1021 HydrophobicContact CG-CD1 3.43Å; E940-I1021 VanDerWaalsContact CG-CD1 3.43Å; E940-I1021 WeakPolarHBondContact OE1-CD1 3.42Å
941	S	84.5	Confident	84	Confident	15 Å²	15	59.3 Å²	59.3	11%	0.105	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-38.3	-169.8	-56	0	0	0	0	113.4	K944 G1023 G1024	S941-K944 WeakPolarHBondContact O-CD 2.92Å; S941-K944 WeakPolarHBondContact O-CE 3.39Å; S941-K944 PolarHBondContact O-NZ 2.82Å; S941-G1023 WeakPolarHBondContact CB-O 3.44Å; S941-G1023 PolarHBondContact OG-O 3.24Å; S941-G1024 WeakPolarHBondContact CB-O 3.33Å; S941-G1024 PolarHBondContact N-O 2.65Å; S941-G1024 VanDerWaalsContact N-O 3.11Å; S941-G1024 VanDerWaalsContact OG-C 3.22Å; S941-G1024 PolarHBondContact OG-O 3.32Å
942	N	84	Confident	82.6	Confident	115 Å²	115	61.8 Å²	61.8	62%	0.615	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-43.9	-174.1	-78.5	-19.9	0	0	0	113.9	E940 A1022	E940-N942 VanDerWaalsContact C-N 3.27Å; E940-N942 PolarHBondContact O-N 2.76Å; N942-A1022 PolarHBondContact ND2-O 3.24Å
943	S	84.3	Confident	81.2	Confident	60 Å²	60	65.1 Å²	65.1	42%	0.42	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-18.4	-179.6	70	0	0	0	0	112.6	E940 Q945	E940-S943 WeakPolarHBondContact CB-OG 3.4Å; E940-S943 WeakPolarHBondContact CG-OG 3.24Å; E940-S943 WeakPolarHBondContact OE2-CB 3.41Å; E940-S943 PolarHBondContact OE2-OG 3.3Å; S943-Q945 PolarHBondContact O-N 2.82Å; S943-Q945 VanDerWaalsContact O-N 3.12Å; S943-Q945 VanDerWaalsContact OG-CB 3.24Å; S943-Q945 WeakPolarHBondContact OG-CB 3.09Å; S943-Q945 PolarHBondContact OG-N 2.74Å; S943-Q945 VanDerWaalsContact OG-N 3.15Å
944	K	83	Confident	80.1	Confident	116 Å²	116	67.6 Å²	67.6	50%	0.504	35%	0.346	S	S	.	.			trans	53.8	21.5	-168.6	-57.8	-60.9	-177.2	-163.9	0	112.9	E940 S941 E1026	E940-K944 VanDerWaalsContact O-CA 3.25Å; E940-K944 WeakPolarHBondContact O-CA 3.26Å; E940-K944 PolarHBondContact O-N 3.02Å; S941-K944 WeakPolarHBondContact O-CD 2.92Å; S941-K944 WeakPolarHBondContact O-CE 3.39Å; S941-K944 PolarHBondContact O-NZ 2.82Å; K944-E1026 IonicContact NZ-OE1 3.42Å; K944-E1026 PolarHBondContact NZ-OE1 3.18Å; K944-E1026 IonicContact NZ-OE2 3.87Å; K944-E1026 PolarHBondContact NZ-OE2 3.4Å
945	Q	84.5	Confident	79.2	Confident	132 Å²	132	67.6 Å²	67.6	62%	0.617	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-75	129.7	176.2	-172	174.2	-0.2	0	0	109.9	V939 E940 S943	V939-Q945 VanDerWaalsContact CA-O 3.31Å; V939-Q945 WeakPolarHBondContact CA-O 3.35Å; E940-Q945 PolarHBondContact N-O 3.48Å; S943-Q945 PolarHBondContact O-N 2.82Å; S943-Q945 VanDerWaalsContact O-N 3.12Å; S943-Q945 VanDerWaalsContact OG-CB 3.24Å; S943-Q945 WeakPolarHBondContact OG-CB 3.09Å; S943-Q945 PolarHBondContact OG-N 2.74Å; S943-Q945 VanDerWaalsContact OG-N 3.15Å
946	L	84.1	Confident	78.4	Confident	107 Å²	107	66 Å²	66	56%	0.56	34%	0.338	S	S	*	.	B	Isolated β-bridge	trans	-68.9	131.1	173	-174.6	71.7	0	0	0	110	K937 V939	K937-L946 HydrophobicContact CB-CD1 3.99Å; K937-L946 HydrophobicContact CG-CD1 4.37Å; V939-L946 HydrophobicContact CG1-CD1 4.16Å
947	L	77.7	Confident	77.5	Confident	42 Å²	42	70.4 Å²	70.4	22%	0.22	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-75.4	146.9	176.6	-82.2	81	0	0	0	111.8	I938 E940 V951 L1018 Y1025	I938-L947 HydrophobicContact CB-CB 4.44Å; I938-L947 HydrophobicContact CG2-CD1 4.15Å; I938-L947 HydrophobicContact CG2-CD2 4.32Å; I938-L947 WeakPolarHBondContact O-CD1 3.19Å; I938-L947 PolarHBondContact O-N 3.21Å; E940-L947 HydrophobicContact CB-CD1 4.49Å; L947-V951 HydrophobicContact CB-CG2 4.06Å; L947-V951 HydrophobicContact CD2-CG2 3.84Å; L947-L1018 HydrophobicContact CD2-CD2 4.5Å; L947-Y1025 HydrophobicContact CD1-CD1 3.77Å; L947-Y1025 HydrophobicContact CD1-CE1 3.84Å; L947-Y1025 HydrophobicContact CD2-CD1 3.97Å; L947-Y1025 HydrophobicContact CD2-CE1 3.58Å; L947-Y1025 HydrophobicContact CG-CE1 4.25Å
948	S	67.3	Low	77.3	Confident	76 Å²	76	64.7 Å²	64.7	53%	0.531	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-57.6	158.3	176.4	179.3	0	0	0	0	112.7	D950 V951	S948-D950 PolarHBondContact O-N 2.88Å; S948-D950 PolarHBondContact OG-OD2 2.86Å; S948-V951 PolarHBondContact O-N 2.78Å
949	E	62.3	Low	77	Confident	138 Å²	138	68.5 Å²	68.5	65%	0.645	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-56.9	-14.2	176.4	-64.8	-155.1	133.9	0	0	114.7	V951 K952	E949-V951 PolarHBondContact O-N 2.86Å; E949-K952 HydrophobicContact CB-CD 4.29Å; E949-K952 WeakPolarHBondContact O-CB 3.24Å; E949-K952 WeakPolarHBondContact O-CD 3.22Å; E949-K952 WeakPolarHBondContact O-CG 3.24Å; E949-K952 PolarHBondContact O-N 2.53Å; E949-K952 IonicContact OE1-NZ 2.97Å; E949-K952 PolarHBondContact OE1-NZ 3.17Å; E949-K952 IonicContact OE2-NZ 3.09Å; E949-K952 PolarHBondContact OE2-NZ 3.13Å; E949-K952 VanDerWaalsContact OE2-NZ 3.07Å
950	D	64.9	Low	76.8	Confident	128 Å²	128	72.8 Å²	72.8	68%	0.684	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-71.1	-9	-177.7	-54.5	-58.3	0	0	0	114.1	S948 K952	S948-D950 PolarHBondContact O-N 2.88Å; S948-D950 PolarHBondContact OG-OD2 2.86Å; D950-K952 VanDerWaalsContact C-N 3.33Å
951	V	64.6	Low	77	Confident	12 Å²	12	70.8 Å²	70.8	7%	0.073	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-84.5	-8	179.4	-169.6	0	0	0	0	112.8	I938 L947 S948 E949 Y954 W1011 L1018	I938-V951 HydrophobicContact CD1-CB 4.18Å; I938-V951 HydrophobicContact CD1-CG1 3.58Å; L947-V951 HydrophobicContact CB-CG2 4.06Å; L947-V951 HydrophobicContact CD2-CG2 3.84Å; S948-V951 PolarHBondContact O-N 2.78Å; E949-V951 PolarHBondContact O-N 2.86Å; V951-Y954 HydrophobicContact CB-CD2 4.45Å; V951-Y954 HydrophobicContact CG1-CD2 3.95Å; V951-Y954 VanDerWaalsContact O-CD2 3.25Å; V951-Y954 WeakPolarHBondContact O-CD2 3.45Å; V951-Y954 PolarHBondContact O-N 3.04Å; V951-W1011 HydrophobicContact CG1-CH2 3.99Å; V951-W1011 HydrophobicContact CG1-CZ3 4.24Å; V951-L1018 HydrophobicContact CG1-CD1 3.83Å; V951-L1018 HydrophobicContact CG2-CD2 4.25Å
952	K	64.1	Low	77.2	Confident	59 Å²	59	72 Å²	72	26%	0.257	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-42.1	-176.3	-78.9	173.7	-173	176.6	0	115.7	E949 D950 Y954 P984 L985	E949-K952 HydrophobicContact CB-CD 4.29Å; E949-K952 WeakPolarHBondContact O-CB 3.24Å; E949-K952 WeakPolarHBondContact O-CD 3.22Å; E949-K952 WeakPolarHBondContact O-CG 3.24Å; E949-K952 PolarHBondContact O-N 2.53Å; E949-K952 IonicContact OE1-NZ 2.97Å; E949-K952 PolarHBondContact OE1-NZ 3.17Å; E949-K952 IonicContact OE2-NZ 3.09Å; E949-K952 PolarHBondContact OE2-NZ 3.13Å; E949-K952 VanDerWaalsContact OE2-NZ 3.07Å; D950-K952 VanDerWaalsContact C-N 3.33Å; K952-Y954 VanDerWaalsContact C-N 3.33Å; K952-Y954 PolarHBondContact O-N 3.4Å; K952-P984 HydrophobicContact CB-CB 3.49Å; K952-P984 VanDerWaalsContact CB-CB 3.49Å; K952-P984 HydrophobicContact CB-CG 4.04Å; K952-P984 HydrophobicContact CD-CB 4.42Å; K952-P984 HydrophobicContact CD-CG 4.49Å; K952-P984 HydrophobicContact CG-CB 3.83Å; K952-P984 HydrophobicContact CG-CG 4.4Å; K952-P984 WeakPolarHBondContact O-CB 3.33Å; K952-L985 HydrophobicContact CG-CD1 4.09Å; K952-L985 HydrophobicContact CG-CG 4.03Å
953	P	65.8	Low	77.4	Confident	71 Å²	71	73 Å²	73	46%	0.461	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-18.7	-173.6	-15.9	29.5	0	0	0	115.6
954	Y	71.7	Confident	77.8	Confident	93 Å²	93	72.5 Å²	72.5	37%	0.365	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-36.4	-163.8	-62.4	-69.7	0	0	0	113.7	V951 K952 L956 N957 N1016	V951-Y954 HydrophobicContact CB-CD2 4.45Å; V951-Y954 HydrophobicContact CG1-CD2 3.95Å; V951-Y954 VanDerWaalsContact O-CD2 3.25Å; V951-Y954 WeakPolarHBondContact O-CD2 3.45Å; V951-Y954 PolarHBondContact O-N 3.04Å; K952-Y954 VanDerWaalsContact C-N 3.33Å; K952-Y954 PolarHBondContact O-N 3.4Å; Y954-L956 VanDerWaalsContact C-N 3.29Å; Y954-L956 PolarHBondContact O-N 2.78Å; Y954-N957 PolarHBondContact O-N 3.39Å; Y954-N1016 HydrophobicContact CD1-CB 3.8Å; Y954-N1016 VanDerWaalsContact CD1-O 3.25Å; Y954-N1016 WeakPolarHBondContact CD1-O 3.49Å; Y954-N1016 WeakPolarHBondContact CE1-O 3.39Å; Y954-N1016 HydrophobicContact CG-CB 4.02Å
955	L	77.2	Confident	78.2	Confident	0 Å²	0	67 Å²	67	0%	0	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-68.6	-24.6	-174	-66.6	175.5	0	0	0	114	L936 I938 N957 D958 F961 F981 L985 W1011 I1027	L936-L955 HydrophobicContact CD1-CD1 3.59Å; I938-L955 HydrophobicContact CD1-CD1 3.92Å; I938-L955 HydrophobicContact CD1-CG 4.41Å; I938-L955 HydrophobicContact CG1-CD1 4.49Å; L955-N957 PolarHBondContact O-N 2.73Å; L955-D958 PolarHBondContact O-N 3.3Å; L955-F961 HydrophobicContact CB-CD1 4.41Å; L955-F961 HydrophobicContact CB-CE1 4.37Å; L955-F961 HydrophobicContact CD2-CD1 3.92Å; L955-F961 HydrophobicContact CD2-CE1 4.16Å; L955-F961 HydrophobicContact CD2-CG 4.19Å; L955-F981 HydrophobicContact CB-CE1 4.39Å; L955-L985 HydrophobicContact CD1-CD2 4.19Å; L955-W1011 HydrophobicContact CD2-CD2 4.37Å; L955-W1011 HydrophobicContact CD2-CH2 4.13Å; L955-W1011 HydrophobicContact CD2-CZ2 3.52Å; L955-W1011 HydrophobicContact CG-CZ2 4.42Å; L955-I1027 HydrophobicContact CD2-CD1 3.7Å
956	L	77.2	Confident	78.5	Confident	16 Å²	16	66 Å²	66	8%	0.084	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-66.7	-27.1	-179.8	-174	64.2	0	0	0	112.5	Y51 F55 Y954 F981	Y51-L956 HydrophobicContact CE1-CD2 3.77Å; F55-L956 HydrophobicContact CB-CD2 3.69Å; F55-L956 HydrophobicContact CD1-CD1 4.39Å; F55-L956 HydrophobicContact CD1-CD2 3.61Å; F55-L956 HydrophobicContact CD1-CG 3.93Å; F55-L956 HydrophobicContact CD2-CD2 3.79Å; F55-L956 HydrophobicContact CD2-CG 4.44Å; F55-L956 HydrophobicContact CE1-CD2 4.19Å; F55-L956 HydrophobicContact CE1-CG 4.03Å; F55-L956 HydrophobicContact CE2-CD2 4.35Å; F55-L956 HydrophobicContact CG-CD2 3.39Å; F55-L956 HydrophobicContact CG-CG 4.14Å; F55-L956 HydrophobicContact CZ-CG 4.35Å; Y954-L956 VanDerWaalsContact C-N 3.29Å; Y954-L956 PolarHBondContact O-N 2.78Å; L956-F981 HydrophobicContact CB-CZ 4.47Å; L956-F981 HydrophobicContact CD1-CB 4.36Å; L956-F981 HydrophobicContact CD1-CD1 4.42Å; L956-F981 HydrophobicContact CD1-CD2 3.22Å; L956-F981 HydrophobicContact CD1-CE2 3.42Å; L956-F981 VanDerWaalsContact CD1-CE2 3.42Å; L956-F981 HydrophobicContact CD1-CG 3.77Å; L956-F981 HydrophobicContact CD1-CZ 4.11Å
957	N	75.3	Confident	78.9	Confident	102 Å²	102	67.2 Å²	67.2	55%	0.545	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-100.5	-6	179.7	-77.8	-42.5	0	0	0	113.9	F55 Y954 L955 T959	F55-N957 WeakPolarHBondContact CE2-OD1 3.48Å; F55-N957 WeakPolarHBondContact CZ-OD1 3.08Å; Y954-N957 PolarHBondContact O-N 3.39Å; L955-N957 PolarHBondContact O-N 2.73Å; N957-T959 PolarHBondContact O-N 3.34Å; N957-T959 VanDerWaalsContact O-N 3.09Å
958	D	85.5	Confident	79.7	Confident	7 Å²	7	66.3 Å²	66.3	4%	0.037	35%	0.347	C	S	.	.			trans	-81.6	94.2	-173.1	-166.4	-42.6	0	0	0	110.7	L955 D960 F961 L962 W1011 N1016	L955-D958 PolarHBondContact O-N 3.3Å; D958-D960 VanDerWaalsContact C-N 3.29Å; D958-D960 PolarHBondContact O-N 3.35Å; D958-D960 PolarHBondContact OD1-N 2.88Å; D958-F961 HydrophobicContact CB-CB 3.93Å; D958-F961 PolarHBondContact O-N 2.94Å; D958-F961 WeakPolarHBondContact OD1-CB 3.26Å; D958-F961 PolarHBondContact OD1-N 3.1Å; D958-L962 WeakPolarHBondContact O-CB 3.36Å; D958-L962 WeakPolarHBondContact O-CG 3.49Å; D958-L962 PolarHBondContact O-N 2.87Å; D958-W1011 PolarHBondContact OD2-NE1 3.38Å; D958-N1016 PolarHBondContact OD2-ND2 2.82Å
959	T	83.2	Confident	80.8	Confident	89 Å²	89	63 Å²	63	55%	0.546	33%	0.325	S	S	.	.	H	α-helix	trans	-60.4	-39.1	-179	49.6	0	0	0	0	112.2	N957 L962 E963	N957-T959 PolarHBondContact O-N 3.34Å; N957-T959 VanDerWaalsContact O-N 3.09Å; T959-L962 PolarHBondContact O-N 3.17Å; T959-E963 WeakPolarHBondContact O-CB 3.26Å; T959-E963 WeakPolarHBondContact O-CG 3.44Å; T959-E963 PolarHBondContact O-N 3.04Å
960	D	86	Confident	82.1	Confident	104 Å²	104	58.3 Å²	58.3	56%	0.556	31%	0.307	S	S	*	.	H	α-helix	trans	-69.6	-42.7	-175.4	-63.4	-10.6	0	0	0	110.7	D958 S964	D958-D960 VanDerWaalsContact C-N 3.29Å; D958-D960 PolarHBondContact O-N 3.35Å; D958-D960 PolarHBondContact OD1-N 2.88Å; D960-S964 VanDerWaalsContact O-CB 3.28Å; D960-S964 WeakPolarHBondContact O-CB 3.48Å; D960-S964 PolarHBondContact O-N 3.16Å; D960-S964 PolarHBondContact O-OG 2.68Å
961	F	89.2	Confident	82.9	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-48	172.2	167	-110	0	0	0	111.6	L936 L955 D958 E963 S964 L965 I987 I1009 I1027	L936-F961 HydrophobicContact CD1-CE1 4.23Å; L936-F961 HydrophobicContact CD1-CZ 3.92Å; L936-F961 HydrophobicContact CD2-CZ 4.23Å; L955-F961 HydrophobicContact CB-CD1 4.41Å; L955-F961 HydrophobicContact CB-CE1 4.37Å; L955-F961 HydrophobicContact CD2-CD1 3.92Å; L955-F961 HydrophobicContact CD2-CE1 4.16Å; L955-F961 HydrophobicContact CD2-CG 4.19Å; D958-F961 HydrophobicContact CB-CB 3.93Å; D958-F961 PolarHBondContact O-N 2.94Å; D958-F961 WeakPolarHBondContact OD1-CB 3.26Å; D958-F961 PolarHBondContact OD1-N 3.1Å; F961-E963 PolarHBondContact O-N 2.85Å; F961-S964 WeakPolarHBondContact O-CB 3.36Å; F961-S964 PolarHBondContact O-N 2.91Å; F961-L965 HydrophobicContact CE1-CD2 4.39Å; F961-L965 HydrophobicContact CZ-CD2 4.02Å; F961-L965 WeakPolarHBondContact O-CB 3.44Å; F961-L965 PolarHBondContact O-N 2.83Å; F961-I987 HydrophobicContact CE1-CD1 3.8Å; F961-I987 HydrophobicContact CZ-CD1 4.12Å; F961-I1009 HydrophobicContact CE2-CD1 4.16Å; F961-I1027 HydrophobicContact CD2-CD1 3.44Å; F961-I1027 VanDerWaalsContact CD2-CD1 3.44Å; F961-I1027 HydrophobicContact CE2-CB 4.46Å; F961-I1027 HydrophobicContact CE2-CD1 3.42Å; F961-I1027 VanDerWaalsContact CE2-CD1 3.42Å; F961-I1027 HydrophobicContact CE2-CG2 4.14Å; F961-I1027 HydrophobicContact CG-CD1 4.16Å; F961-I1027 HydrophobicContact CZ-CD1 4.13Å
962	L	89.6	Confident	83.8	Confident	40 Å²	40	62 Å²	62	21%	0.209	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-39.7	-178.3	-69.6	175.4	0	0	0	112.2	D958 T959 K966 L979 F981	D958-L962 WeakPolarHBondContact O-CB 3.36Å; D958-L962 WeakPolarHBondContact O-CG 3.49Å; D958-L962 PolarHBondContact O-N 2.87Å; T959-L962 PolarHBondContact O-N 3.17Å; L962-K966 WeakPolarHBondContact O-CB 3.23Å; L962-K966 PolarHBondContact O-N 2.78Å; L962-L979 HydrophobicContact CD2-CD1 4.23Å; L962-L979 HydrophobicContact CD2-CD2 3.7Å; L962-F981 HydrophobicContact CD2-CE2 3.95Å; L962-F981 HydrophobicContact CD2-CZ 4.01Å
963	E	89.2	Confident	84.5	Confident	138 Å²	138	64.7 Å²	64.7	65%	0.645	33%	0.334	S	S	*	.	H	α-helix	trans	-65.7	-42.4	173.6	-76.1	-173.7	176.4	0	0	111.7	T959 F961 K966 L967	T959-E963 WeakPolarHBondContact O-CB 3.26Å; T959-E963 WeakPolarHBondContact O-CG 3.44Å; T959-E963 PolarHBondContact O-N 3.04Å; F961-E963 PolarHBondContact O-N 2.85Å; E963-K966 PolarHBondContact O-N 2.81Å; E963-L967 WeakPolarHBondContact O-CB 3.33Å; E963-L967 PolarHBondContact O-N 3Å
964	S	90.9	Very high	85.4	Confident	49 Å²	49	61.8 Å²	61.8	34%	0.343	32%	0.317	S	S	.	.	H	α-helix	trans	-60.6	-47.1	175.2	-62.5	0	0	0	0	111.5	D960 F961 K966 L967 I968	D960-S964 VanDerWaalsContact O-CB 3.28Å; D960-S964 WeakPolarHBondContact O-CB 3.48Å; D960-S964 PolarHBondContact O-N 3.16Å; D960-S964 PolarHBondContact O-OG 2.68Å; F961-S964 WeakPolarHBondContact O-CB 3.36Å; F961-S964 PolarHBondContact O-N 2.91Å; S964-K966 VanDerWaalsContact C-N 3.34Å; S964-K966 PolarHBondContact O-N 2.97Å; S964-L967 PolarHBondContact O-N 3.42Å; S964-I968 WeakPolarHBondContact O-CD1 3.41Å; S964-I968 VanDerWaalsContact O-CG1 3.25Å; S964-I968 WeakPolarHBondContact O-CG1 3.38Å; S964-I968 PolarHBondContact O-N 3.41Å
965	L	92.9	Very high	86.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.5	-41.8	177.3	179.8	57.9	0	0	0	111.4	F961 G969 L979 I987 L989 I1009 L1029	F961-L965 HydrophobicContact CE1-CD2 4.39Å; F961-L965 HydrophobicContact CZ-CD2 4.02Å; F961-L965 WeakPolarHBondContact O-CB 3.44Å; F961-L965 PolarHBondContact O-N 2.83Å; L965-G969 PolarHBondContact O-N 3.15Å; L965-L979 HydrophobicContact CD2-CD1 3.95Å; L965-L979 HydrophobicContact CG-CD1 4.27Å; L965-I987 HydrophobicContact CD2-CD1 3.64Å; L965-I987 HydrophobicContact CD2-CG2 4.28Å; L965-L989 HydrophobicContact CD2-CD2 4.48Å; L965-I1009 HydrophobicContact CB-CD1 4.46Å; L965-I1009 HydrophobicContact CD1-CD1 4.19Å; L965-L1029 HydrophobicContact CD1-CD1 3.95Å
966	K	90.9	Very high	86.9	Confident	110 Å²	110	61.7 Å²	61.7	48%	0.478	33%	0.325	S	S	.	.	H	α-helix	trans	-63.6	-41.7	175.7	-172.5	177.2	-179.5	-179.1	0	111.9	L962 E963 S964 S970 I976	L962-K966 WeakPolarHBondContact O-CB 3.23Å; L962-K966 PolarHBondContact O-N 2.78Å; E963-K966 PolarHBondContact O-N 2.81Å; S964-K966 VanDerWaalsContact C-N 3.34Å; S964-K966 PolarHBondContact O-N 2.97Å; K966-S970 WeakPolarHBondContact O-CB 3.33Å; K966-S970 PolarHBondContact O-N 2.95Å; K966-S970 VanDerWaalsContact O-N 3.12Å; K966-S970 PolarHBondContact O-OG 3.11Å; K966-I976 HydrophobicContact CG-CD1 4.47Å
967	L	92.2	Very high	87.4	Confident	133 Å²	133	63.7 Å²	63.7	70%	0.696	34%	0.335	S	S	*	.	H	α-helix	trans	-63.8	-50.5	177.5	-179.9	64.5	0	0	0	111.2	E963 S964 S970 S971	E963-L967 WeakPolarHBondContact O-CB 3.33Å; E963-L967 PolarHBondContact O-N 3Å; S964-L967 PolarHBondContact O-N 3.42Å; L967-S970 PolarHBondContact O-N 2.88Å; L967-S971 PolarHBondContact O-N 2.69Å
968	I	93	Very high	88.2	Confident	24 Å²	24	59.2 Å²	59.2	12%	0.123	31%	0.312	C	S	.	.	H	α-helix	trans	-64.6	-45	-179.9	-63.2	159.1	0	0	0	110.4	S964 S970 S971 F1003 L1004 Y1007 I1009	S964-I968 WeakPolarHBondContact O-CD1 3.41Å; S964-I968 VanDerWaalsContact O-CG1 3.25Å; S964-I968 WeakPolarHBondContact O-CG1 3.38Å; S964-I968 PolarHBondContact O-N 3.41Å; I968-S970 PolarHBondContact O-N 3.38Å; I968-S971 VanDerWaalsContact O-CB 3.28Å; I968-S971 WeakPolarHBondContact O-CB 3.48Å; I968-S971 PolarHBondContact O-N 3.27Å; I968-S971 VanDerWaalsContact O-N 3.1Å; I968-S971 PolarHBondContact O-OG 2.89Å; I968-F1003 HydrophobicContact CG2-CE1 3.96Å; I968-L1004 HydrophobicContact CG2-CD2 3.69Å; I968-Y1007 HydrophobicContact CD1-CD1 4.31Å; I968-Y1007 HydrophobicContact CD1-CE1 3.62Å; I968-Y1007 HydrophobicContact CG1-CE1 4.21Å; I968-Y1007 HydrophobicContact CG2-CD1 4.15Å; I968-Y1007 HydrophobicContact CG2-CD2 4.11Å; I968-Y1007 HydrophobicContact CG2-CE1 3.84Å; I968-Y1007 HydrophobicContact CG2-CE2 3.78Å; I968-Y1007 HydrophobicContact CG2-CG 4.29Å; I968-I1009 HydrophobicContact CD1-CD1 3.77Å; I968-I1009 HydrophobicContact CD1-CG1 3.79Å
969	G	91	Very high	88.5	Confident	5 Å²	5	60.4 Å²	60.4	5%	0.052	32%	0.318	C	S	.	.	H	α-helix	trans	-64.6	-17.8	177.8	0	0	0	0	0	114.4	L965 Y991	L965-G969 PolarHBondContact O-N 3.15Å; G969-Y991 WeakPolarHBondContact O-CE1 3.16Å; G969-Y991 PolarHBondContact O-OH 3.31Å
970	S	90.3	Very high	88.8	Confident	40 Å²	40	56.4 Å²	56.4	28%	0.28	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-2.3	176.1	-49.8	0	0	0	0	113.5	K966 L967 I968 R972 E973 G974	K966-S970 WeakPolarHBondContact O-CB 3.33Å; K966-S970 PolarHBondContact O-N 2.95Å; K966-S970 VanDerWaalsContact O-N 3.12Å; K966-S970 PolarHBondContact O-OG 3.11Å; L967-S970 PolarHBondContact O-N 2.88Å; I968-S970 PolarHBondContact O-N 3.38Å; S970-R972 PolarHBondContact O-N 3.31Å; S970-R972 VanDerWaalsContact O-N 3.11Å; S970-E973 PolarHBondContact O-N 3.19Å; S970-G974 WeakPolarHBondContact CA-O 3.45Å; S970-G974 WeakPolarHBondContact CB-O 3.27Å
971	S	82.4	Confident	89	Confident	67 Å²	67	51.5 Å²	51.5	47%	0.469	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.6	-171.4	64.2	0	0	0	0	115.8	L967 I968 F1003	L967-S971 PolarHBondContact O-N 2.69Å; I968-S971 VanDerWaalsContact O-CB 3.28Å; I968-S971 WeakPolarHBondContact O-CB 3.48Å; I968-S971 PolarHBondContact O-N 3.27Å; I968-S971 VanDerWaalsContact O-N 3.1Å; I968-S971 PolarHBondContact O-OG 2.89Å; S971-F1003 WeakPolarHBondContact OG-CE1 3.28Å; S971-F1003 WeakPolarHBondContact OG-CZ 3.45Å
972	R	82.1	Confident	89	Confident	151 Å²	151	54 Å²	54	57%	0.57	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	37.3	175.4	-67.8	-71.7	-170.7	171	1.6	112.1	S970 G974 I999 F1003	S970-R972 PolarHBondContact O-N 3.31Å; S970-R972 VanDerWaalsContact O-N 3.11Å; R972-G974 PolarHBondContact O-N 3.24Å; R972-I999 HydrophobicContact CB-CG2 4.36Å; R972-F1003 HydrophobicContact CG-CD2 4.36Å; R972-F1003 HydrophobicContact CG-CG 4.26Å
973	E	79.2	Confident	88.9	Confident	116 Å²	116	55.2 Å²	55.2	54%	0.542	29%	0.286	S	S	.	.	S	Bend	trans	63	9.4	-176.4	-51.1	179.4	151.5	0	0	114.3	N863 I865 S970 T975	N863-E973 PolarHBondContact ND2-OE2 3.07Å; I865-E973 HydrophobicContact CD1-CB 3.92Å; I865-E973 WeakPolarHBondContact CD1-O 3.38Å; I865-E973 HydrophobicContact CG1-CB 4.24Å; S970-E973 PolarHBondContact O-N 3.19Å; E973-T975 PolarHBondContact O-N 3.5Å
974	G	84.5	Confident	88.7	Confident	9 Å²	9	49.8 Å²	49.8	9%	0.093	26%	0.263	C	S	.	.			trans	-66	130.4	176	0	0	0	0	0	111.4	S970 R972	S970-G974 WeakPolarHBondContact CA-O 3.45Å; S970-G974 WeakPolarHBondContact CB-O 3.27Å; R972-G974 PolarHBondContact O-N 3.24Å
975	T	89.4	Confident	88.6	Confident	72 Å²	72	49.5 Å²	49.5	44%	0.442	26%	0.258	S	S	.	.			trans	-97.7	104.4	175	-58.2	0	0	0	0	109.4	E973 L977 Y991 A992	E973-T975 PolarHBondContact O-N 3.5Å; T975-L977 HydrophobicContact CG2-CD2 4.29Å; T975-L977 PolarHBondContact O-N 2.75Å; T975-Y991 CarbonylContact O-C 3.54Å; T975-Y991 WeakPolarHBondContact O-CA 3.22Å; T975-A992 HydrophobicContact CG2-CB 4.33Å; T975-A992 PolarHBondContact O-N 3.48Å
976	I	90.9	Very high	88.6	Confident	19 Å²	19	50.1 Å²	50.1	10%	0.097	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.8	173.2	-59.3	172.9	0	0	0	108.7	K966 I990 Y991	K966-I976 HydrophobicContact CG-CD1 4.47Å; I976-I990 CarbonylContact C-O 3.56Å; I976-Y991 HydrophobicContact CD1-CE1 4.38Å; I976-Y991 HydrophobicContact CG1-CD1 4.12Å; I976-Y991 HydrophobicContact CG1-CE1 3.57Å; I976-Y991 HydrophobicContact CG1-CE2 4.35Å
977	L	88.7	Confident	88.8	Confident	58 Å²	58	44.9 Å²	44.9	30%	0.304	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-39.5	176.5	-61.4	-177.2	0	0	0	112.1	A44 T975 I990 A992	A44-L977 HydrophobicContact CB-CB 4.04Å; T975-L977 HydrophobicContact CG2-CD2 4.29Å; T975-L977 PolarHBondContact O-N 2.75Å; L977-I990 PolarHBondContact N-O 3.42Å; L977-A992 HydrophobicContact CD2-CB 4.32Å; L977-A992 HydrophobicContact CG-CB 4.37Å
978	L	90.6	Very high	88.9	Confident	9 Å²	9	38.8 Å²	38.8	5%	0.047	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	140.6	-177.2	179.2	60.7	0	0	0	110.6	L39 D41 A44 A46 I990	L39-L978 HydrophobicContact CD2-CD1 4.13Å; L39-L978 HydrophobicContact CD2-CD2 4.01Å; D41-L978 HydrophobicContact CB-CD1 4.04Å; D41-L978 HydrophobicContact CB-CD2 4.46Å; A44-L978 HydrophobicContact CB-CB 3.8Å; A44-L978 HydrophobicContact CB-CD2 4.17Å; A46-L978 HydrophobicContact CB-CD2 3.66Å; L978-I990 HydrophobicContact CB-CB 4.3Å; L978-I990 HydrophobicContact CB-CD1 4.33Å; L978-I990 HydrophobicContact CD2-CD1 4.17Å; L978-I990 PolarHBondContact N-O 2.87Å; L978-I990 PolarHBondContact O-N 2.85Å
979	L	91.7	Very high	88.9	Confident	31 Å²	31	37.6 Å²	37.6	16%	0.162	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	130	167.9	-178.7	160.1	0	0	0	107.8	R56 L962 L965 F981 I987 L988 L989	R56-L979 PolarHBondContact NH2-O 3.03Å; L962-L979 HydrophobicContact CD2-CD1 4.23Å; L962-L979 HydrophobicContact CD2-CD2 3.7Å; L965-L979 HydrophobicContact CD2-CD1 3.95Å; L965-L979 HydrophobicContact CG-CD1 4.27Å; L979-F981 HydrophobicContact CD2-CD2 4.49Å; L979-F981 HydrophobicContact CD2-CE2 4.11Å; L979-I987 HydrophobicContact CD1-CG2 4.16Å; L979-I987 HydrophobicContact CD2-CG2 3.77Å; L979-I987 HydrophobicContact CG-CG2 3.62Å; L979-L988 WeakPolarHBondContact CA-O 3.41Å; L979-L989 HydrophobicContact CB-CD2 4.05Å; L979-L989 HydrophobicContact CD1-CD2 3.5Å; L979-L989 HydrophobicContact CG-CD2 3.61Å
980	H	90.3	Very high	89	Confident	5 Å²	5	38.1 Å²	38.1	2%	0.023	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	163.9	178.4	86.4	91.6	0	0	0	111.8	H47 I48 E52 I987 L988	H47-H980 PolarHBondContact O-CE1 2.54Å; I48-H980 HydrophobicContact CG2-CB 4.38Å; E52-H980 WeakPolarHBondContact OE1-CB 3.49Å; E52-H980 VanDerWaalsContact OE2-CB 3.32Å; E52-H980 WeakPolarHBondContact OE2-CB 3.45Å; E52-H980 IonicContact OE2-CG 2.71Å; E52-H980 IonicContact OE2-ND1 3.49Å; E52-H980 PolarHBondContact OE2-ND1 3.02Å; H980-I987 CarbonylContact O-C 3.48Å; H980-I987 WeakPolarHBondContact O-CA 3.48Å; H980-L988 PolarHBondContact N-O 2.89Å; H980-L988 PolarHBondContact O-N 3.41Å
981	F	90.7	Very high	89.1	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122.1	-173.3	-75.4	-106.6	0	0	0	111.1	S49 E52 L955 L956 L962 L979 D983 I987	S49-F981 PolarHBondContact OG-O 3.39Å; E52-F981 PolarHBondContact OE2-N 3.41Å; E52-F981 VanDerWaalsContact OE2-O 3.04Å; L955-F981 HydrophobicContact CB-CE1 4.39Å; L956-F981 HydrophobicContact CB-CZ 4.47Å; L956-F981 HydrophobicContact CD1-CB 4.36Å; L956-F981 HydrophobicContact CD1-CD1 4.42Å; L956-F981 HydrophobicContact CD1-CD2 3.22Å; L956-F981 HydrophobicContact CD1-CE2 3.42Å; L956-F981 VanDerWaalsContact CD1-CE2 3.42Å; L956-F981 HydrophobicContact CD1-CG 3.77Å; L956-F981 HydrophobicContact CD1-CZ 4.11Å; L962-F981 HydrophobicContact CD2-CE2 3.95Å; L962-F981 HydrophobicContact CD2-CZ 4.01Å; L979-F981 HydrophobicContact CD2-CD2 4.49Å; L979-F981 HydrophobicContact CD2-CE2 4.11Å; F981-D983 WeakPolarHBondContact CD1-O 3.42Å; F981-I987 HydrophobicContact CD1-CD1 4.42Å; F981-I987 HydrophobicContact CD1-CG1 3.74Å; F981-I987 HydrophobicContact CD2-CG1 4.41Å; F981-I987 HydrophobicContact CE1-CD1 3.72Å; F981-I987 HydrophobicContact CE1-CG1 3.53Å; F981-I987 HydrophobicContact CE2-CD1 4.22Å; F981-I987 HydrophobicContact CE2-CG1 4.23Å; F981-I987 HydrophobicContact CG-CG1 4.2Å; F981-I987 HydrophobicContact CZ-CD1 3.61Å; F981-I987 HydrophobicContact CZ-CG1 3.8Å
982	L	88.5	Confident	89.5	Confident	57 Å²	57	35.3 Å²	35.3	30%	0.298	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-42.5	169.9	-176.1	62.2	0	0	0	110.3	S49 T986 L988 Y1034	S49-L982 WeakPolarHBondContact CB-O 3.36Å; S49-L982 PolarHBondContact OG-O 3.4Å; L982-T986 HydrophobicContact CB-CG2 4.02Å; L982-T986 HydrophobicContact CD2-CG2 4.03Å; L982-T986 PolarHBondContact N-O 3.04Å; L982-L988 HydrophobicContact CB-CD1 4.4Å; L982-L988 HydrophobicContact CB-CG 4.21Å; L982-Y1034 HydrophobicContact CD2-CE2 4.05Å
983	D	87.9	Confident	89.9	Confident	64 Å²	64	28.4 Å²	28.4	34%	0.342	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	177.5	171.1	69.1	59.3	0	0	0	108.3	F981 L985 T986	F981-D983 WeakPolarHBondContact CD1-O 3.42Å; D983-L985 PolarHBondContact O-N 2.83Å; D983-L985 VanDerWaalsContact O-N 3.08Å; D983-L985 PolarHBondContact OD1-N 3.36Å; D983-T986 PolarHBondContact N-O 3.08Å; D983-T986 PolarHBondContact O-N 3.5Å; D983-T986 PolarHBondContact OD1-N 2.87Å; D983-T986 VanDerWaalsContact OD1-N 3.08Å; D983-T986 PolarHBondContact OD2-OG1 3.02Å
984	P	85.3	Confident	90.4	Very high	24 Å²	24	22.9 Å²	22.9	16%	0.156	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.4	-173.5	-23.6	33.1	0	0	0	116.6	Y51 K952	Y51-P984 HydrophobicContact CD1-CG 4.14Å; Y51-P984 HydrophobicContact CD2-CG 4.37Å; Y51-P984 HydrophobicContact CE1-CB 4.16Å; Y51-P984 HydrophobicContact CE1-CG 3.83Å; Y51-P984 HydrophobicContact CE2-CG 4.08Å; Y51-P984 HydrophobicContact CG-CG 4.4Å; K952-P984 HydrophobicContact CB-CB 3.49Å; K952-P984 VanDerWaalsContact CB-CB 3.49Å; K952-P984 HydrophobicContact CB-CG 4.04Å; K952-P984 HydrophobicContact CD-CB 4.42Å; K952-P984 HydrophobicContact CD-CG 4.49Å; K952-P984 HydrophobicContact CG-CB 3.83Å; K952-P984 HydrophobicContact CG-CG 4.4Å; K952-P984 WeakPolarHBondContact O-CB 3.33Å
985	L	89.2	Confident	90.7	Very high	44 Å²	44	24.5 Å²	24.5	23%	0.23	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	4.9	179.2	-65.8	176	0	0	0	113.4	L936 I938 K952 L955 D983	L936-L985 HydrophobicContact CB-CD2 4.43Å; L936-L985 WeakPolarHBondContact CB-O 3.37Å; L936-L985 WeakPolarHBondContact CG-O 3.43Å; L936-L985 PolarHBondContact N-O 3.28Å; I938-L985 HydrophobicContact CD1-CD2 4.27Å; K952-L985 HydrophobicContact CG-CD1 4.09Å; K952-L985 HydrophobicContact CG-CG 4.03Å; L955-L985 HydrophobicContact CD1-CD2 4.19Å; D983-L985 PolarHBondContact O-N 2.83Å; D983-L985 VanDerWaalsContact O-N 3.08Å; D983-L985 PolarHBondContact OD1-N 3.36Å
986	T	92.4	Very high	90.8	Very high	13 Å²	13	21.4 Å²	21.4	8%	0.08	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	114.3	176.8	-63.5	0	0	0	0	110.4	Q933 V934 D935 L982 D983	Q933-T986 HydrophobicContact CG-CG2 3.45Å; Q933-T986 VanDerWaalsContact CG-CG2 3.45Å; V934-T986 WeakPolarHBondContact O-CA 3.34Å; D935-T986 WeakPolarHBondContact OD1-CB 3.44Å; D935-T986 WeakPolarHBondContact OD1-CG2 3.37Å; D935-T986 PolarHBondContact OD1-OG1 2.89Å; L982-T986 HydrophobicContact CB-CG2 4.02Å; L982-T986 HydrophobicContact CD2-CG2 4.03Å; L982-T986 PolarHBondContact N-O 3.04Å; D983-T986 PolarHBondContact N-O 3.08Å; D983-T986 PolarHBondContact O-N 3.5Å; D983-T986 PolarHBondContact OD1-N 2.87Å; D983-T986 VanDerWaalsContact OD1-N 3.08Å; D983-T986 PolarHBondContact OD2-OG1 3.02Å
987	I	93.9	Very high	90.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.1	178.4	-64.5	177.1	0	0	0	109.6	Q933 V934 L936 F961 L965 L979 H980 F981 L989	Q933-I987 CarbonylContact C-O 3.55Å; V934-I987 HydrophobicContact CB-CB 4.33Å; V934-I987 PolarHBondContact N-O 3.35Å; V934-I987 PolarHBondContact O-N 3.29Å; L936-I987 HydrophobicContact CD1-CD1 3.75Å; L936-I987 HydrophobicContact CD1-CG1 4.11Å; F961-I987 HydrophobicContact CE1-CD1 3.8Å; F961-I987 HydrophobicContact CZ-CD1 4.12Å; L965-I987 HydrophobicContact CD2-CD1 3.64Å; L965-I987 HydrophobicContact CD2-CG2 4.28Å; L979-I987 HydrophobicContact CD1-CG2 4.16Å; L979-I987 HydrophobicContact CD2-CG2 3.77Å; L979-I987 HydrophobicContact CG-CG2 3.62Å; H980-I987 CarbonylContact O-C 3.48Å; H980-I987 WeakPolarHBondContact O-CA 3.48Å; F981-I987 HydrophobicContact CD1-CD1 4.42Å; F981-I987 HydrophobicContact CD1-CG1 3.74Å; F981-I987 HydrophobicContact CD2-CG1 4.41Å; F981-I987 HydrophobicContact CE1-CD1 3.72Å; F981-I987 HydrophobicContact CE1-CG1 3.53Å; F981-I987 HydrophobicContact CE2-CD1 4.22Å; F981-I987 HydrophobicContact CE2-CG1 4.23Å; F981-I987 HydrophobicContact CG-CG1 4.2Å; F981-I987 HydrophobicContact CZ-CD1 3.61Å; F981-I987 HydrophobicContact CZ-CG1 3.8Å; I987-L989 HydrophobicContact CG2-CD2 3.89Å; I987-L989 HydrophobicContact CG2-CG 4.46Å
988	L	94.3	Very high	91	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124	168.8	-59.7	-171.4	0	0	0	109.8	T931 V932 Q933 L979 H980 L982 Y1034	T931-L988 HydrophobicContact CG2-CB 3.88Å; T931-L988 HydrophobicContact CG2-CD1 4.31Å; T931-L988 HydrophobicContact CG2-CD2 4.29Å; T931-L988 HydrophobicContact CG2-CG 4.38Å; V932-L988 CarbonylContact O-C 3.59Å; V932-L988 WeakPolarHBondContact O-CA 3.45Å; Q933-L988 HydrophobicContact CB-CD2 3.8Å; Q933-L988 HydrophobicContact CG-CD2 3.95Å; L979-L988 WeakPolarHBondContact CA-O 3.41Å; H980-L988 PolarHBondContact N-O 2.89Å; H980-L988 PolarHBondContact O-N 3.41Å; L982-L988 HydrophobicContact CB-CD1 4.4Å; L982-L988 HydrophobicContact CB-CG 4.21Å; L988-Y1034 HydrophobicContact CD1-CD1 4.16Å; L988-Y1034 HydrophobicContact CD1-CD2 4.24Å; L988-Y1034 HydrophobicContact CD1-CE1 4.04Å; L988-Y1034 HydrophobicContact CD1-CE2 4.13Å; L988-Y1034 HydrophobicContact CD1-CG 4.26Å; L988-Y1034 HydrophobicContact CD2-CD2 3.72Å; L988-Y1034 HydrophobicContact CD2-CE2 4.21Å; L988-Y1034 HydrophobicContact CD2-CG 3.96Å
989	L	94.6	Very high	91.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	113.4	172.5	-55.2	-179.9	0	0	0	109.1	T931 V932 V934 L965 L979 I987 Y991 L1004	T931-L989 CarbonylContact C-O 3.6Å; T931-L989 WeakPolarHBondContact CA-O 3.33Å; V932-L989 HydrophobicContact CB-CB 4.31Å; V932-L989 PolarHBondContact N-O 3.19Å; V932-L989 PolarHBondContact O-N 3.12Å; V934-L989 HydrophobicContact CG2-CD1 3.69Å; V934-L989 HydrophobicContact CG2-CG 3.84Å; L965-L989 HydrophobicContact CD2-CD2 4.48Å; L979-L989 HydrophobicContact CB-CD2 4.05Å; L979-L989 HydrophobicContact CD1-CD2 3.5Å; L979-L989 HydrophobicContact CG-CD2 3.61Å; I987-L989 HydrophobicContact CG2-CD2 3.89Å; I987-L989 HydrophobicContact CG2-CG 4.46Å; L989-Y991 HydrophobicContact CB-CD2 4.36Å; L989-Y991 HydrophobicContact CB-CE2 3.72Å; L989-Y991 HydrophobicContact CD1-CE2 4.4Å; L989-L1004 HydrophobicContact CD1-CD1 3.7Å
990	I	93	Very high	91.2	Very high	16 Å²	16	20.3 Å²	20.3	8%	0.082	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117.9	177.3	-56.5	-178.3	0	0	0	108.6	A44 A46 T931 I976 L977 L978	A44-I990 HydrophobicContact CB-CG2 4.39Å; A46-I990 HydrophobicContact CB-CD1 3.82Å; T931-I990 HydrophobicContact CG2-CG1 4.19Å; I976-I990 CarbonylContact C-O 3.56Å; L977-I990 PolarHBondContact N-O 3.42Å; L978-I990 HydrophobicContact CB-CB 4.3Å; L978-I990 HydrophobicContact CB-CD1 4.33Å; L978-I990 HydrophobicContact CD2-CD1 4.17Å; L978-I990 PolarHBondContact N-O 2.87Å; L978-I990 PolarHBondContact O-N 2.85Å
991	Y	92.6	Very high	91.3	Very high	3 Å²	3	20.6 Å²	20.6	1%	0.012	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	163.7	178.8	-74.8	-96.1	0	0	0	112	A930 V932 G969 T975 I976 L989 N993 Q996 A997 A1000	A930-Y991 PolarHBondContact O-N 3.13Å; V932-Y991 HydrophobicContact CB-CE2 4.26Å; V932-Y991 HydrophobicContact CG2-CD2 3.91Å; V932-Y991 HydrophobicContact CG2-CE2 3.67Å; G969-Y991 WeakPolarHBondContact O-CE1 3.16Å; G969-Y991 PolarHBondContact O-OH 3.31Å; T975-Y991 CarbonylContact O-C 3.54Å; T975-Y991 WeakPolarHBondContact O-CA 3.22Å; I976-Y991 HydrophobicContact CD1-CE1 4.38Å; I976-Y991 HydrophobicContact CG1-CD1 4.12Å; I976-Y991 HydrophobicContact CG1-CE1 3.57Å; I976-Y991 HydrophobicContact CG1-CE2 4.35Å; L989-Y991 HydrophobicContact CB-CD2 4.36Å; L989-Y991 HydrophobicContact CB-CE2 3.72Å; L989-Y991 HydrophobicContact CD1-CE2 4.4Å; Y991-N993 PolarHBondContact O-N 3.37Å; Y991-Q996 HydrophobicContact CD1-CB 3.92Å; Y991-Q996 HydrophobicContact CG-CB 4.3Å; Y991-A997 HydrophobicContact CD2-CB 3.99Å; Y991-A997 HydrophobicContact CG-CB 4.25Å; Y991-A1000 HydrophobicContact CE1-CB 3.77Å; Y991-A1000 HydrophobicContact CE2-CB 3.67Å; Y991-A1000 WeakPolarHBondContact OH-CB 3.44Å
992	A	89	Confident	91.4	Very high	45 Å²	45	23.2 Å²	23.2	37%	0.372	15%	0.148	S	C	.	.	S	Bend	trans	-62	-28	177.6	0	0	0	0	0	113.3	T975 L977	T975-A992 HydrophobicContact CG2-CB 4.33Å; T975-A992 PolarHBondContact O-N 3.48Å; L977-A992 HydrophobicContact CD2-CB 4.32Å; L977-A992 HydrophobicContact CG-CB 4.37Å
993	N	90.2	Very high	91.6	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.027	15%	0.148	C	C	.	.	S	Bend	trans	-155.7	165.6	173.2	65.3	73	0	0	0	112.5	T539 G864 Y925 Y991 K995 Q996 A997	T539-N993 HydrophobicContact CG2-CB 4.34Å; G864-N993 PolarHBondContact O-ND2 3.47Å; Y925-N993 HydrophobicContact CE2-CB 4.18Å; Y991-N993 PolarHBondContact O-N 3.37Å; N993-K995 VanDerWaalsContact C-N 3.32Å; N993-K995 PolarHBondContact O-N 3.03Å; N993-K995 WeakPolarHBondContact OD1-CB 3.33Å; N993-K995 PolarHBondContact OD1-N 3.49Å; N993-K995 VanDerWaalsContact OD1-N 3.12Å; N993-Q996 PolarHBondContact O-N 3.3Å; N993-Q996 PolarHBondContact OD1-N 3.07Å; N993-A997 PolarHBondContact O-N 2.96Å; N993-A997 VanDerWaalsContact O-N 3.14Å
994	S	90.5	Very high	91.9	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	13%	0.131	C	C	.	.	H	α-helix	trans	-66	-28.6	-174.1	-53.2	0	0	0	0	114.5	Y925 P927 A997 S998	Y925-S994 VanDerWaalsContact CE1-OG 3.22Å; Y925-S994 WeakPolarHBondContact CE1-OG 3.21Å; Y925-S994 CarbonylContact O-C 3.27Å; Y925-S994 VanDerWaalsContact O-C 3.3Å; Y925-S994 WeakPolarHBondContact O-CB 3.3Å; P927-S994 WeakPolarHBondContact O-CB 3.31Å; P927-S994 PolarHBondContact O-OG 3.47Å; S994-A997 PolarHBondContact O-N 3.43Å; S994-S998 WeakPolarHBondContact O-CB 3.45Å; S994-S998 PolarHBondContact O-N 3.05Å; S994-S998 PolarHBondContact O-OG 3.29Å
995	K	90.4	Very high	92.4	Very high	42 Å²	42	22.6 Å²	22.6	18%	0.183	14%	0.14	C	C	.	.	H	α-helix	trans	-67.3	-47	175.9	-168.8	68.5	173.3	-171.4	0	110.8	D924 Y925 N993 A997 S998 I999	D924-K995 IonicContact OD1-NZ 2.81Å; D924-K995 PolarHBondContact OD1-NZ 3.31Å; D924-K995 IonicContact OD2-NZ 3.07Å; Y925-K995 PolarHBondContact O-N 2.86Å; N993-K995 VanDerWaalsContact C-N 3.32Å; N993-K995 PolarHBondContact O-N 3.03Å; N993-K995 WeakPolarHBondContact OD1-CB 3.33Å; N993-K995 PolarHBondContact OD1-N 3.49Å; N993-K995 VanDerWaalsContact OD1-N 3.12Å; K995-A997 VanDerWaalsContact C-N 3.33Å; K995-A997 PolarHBondContact O-N 2.95Å; K995-S998 PolarHBondContact O-N 3.11Å; K995-I999 HydrophobicContact CG-CD1 4.26Å; K995-I999 WeakPolarHBondContact O-CG1 3.15Å; K995-I999 PolarHBondContact O-N 3.29Å
996	Q	92.7	Very high	92.6	Very high	8 Å²	8	26.3 Å²	26.3	4%	0.037	16%	0.16	C	C	.	.	H	α-helix	trans	-59.9	-43.3	174.1	-69.5	-175.6	-7	0	0	112	N863 Y991 N993 S998 I999 A1000	N863-Q996 WeakPolarHBondContact O-CG 3.18Å; Y991-Q996 HydrophobicContact CD1-CB 3.92Å; Y991-Q996 HydrophobicContact CG-CB 4.3Å; N993-Q996 PolarHBondContact O-N 3.3Å; N993-Q996 PolarHBondContact OD1-N 3.07Å; Q996-S998 VanDerWaalsContact C-N 3.33Å; Q996-S998 PolarHBondContact O-N 3.03Å; Q996-I999 PolarHBondContact O-N 2.72Å; Q996-A1000 WeakPolarHBondContact O-CB 3.43Å; Q996-A1000 PolarHBondContact O-N 2.85Å
997	A	93	Very high	92.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-43.4	175.8	0	0	0	0	0	111.9	A930 V932 Y991 N993 S994 K995 A1000 A1001 L1033	A930-A997 HydrophobicContact CB-CB 4.45Å; A930-A997 WeakPolarHBondContact O-CB 3.45Å; V932-A997 HydrophobicContact CG2-CB 3.88Å; V932-A997 WeakPolarHBondContact CG2-O 3.17Å; Y991-A997 HydrophobicContact CD2-CB 3.99Å; Y991-A997 HydrophobicContact CG-CB 4.25Å; N993-A997 PolarHBondContact O-N 2.96Å; N993-A997 VanDerWaalsContact O-N 3.14Å; S994-A997 PolarHBondContact O-N 3.43Å; K995-A997 VanDerWaalsContact C-N 3.33Å; K995-A997 PolarHBondContact O-N 2.95Å; A997-A1000 PolarHBondContact O-N 2.94Å; A997-A1001 WeakPolarHBondContact O-CB 3.16Å; A997-A1001 PolarHBondContact O-N 2.85Å; A997-L1033 HydrophobicContact CB-CD2 4.17Å
998	S	91.2	Very high	92.8	Very high	39 Å²	39	33.3 Å²	33.3	27%	0.273	19%	0.191	S	C	.	.	H	α-helix	trans	-64.6	-42.3	179.9	-57.8	0	0	0	0	112.2	S994 K995 Q996 A1001 G1002	S994-S998 WeakPolarHBondContact O-CB 3.45Å; S994-S998 PolarHBondContact O-N 3.05Å; S994-S998 PolarHBondContact O-OG 3.29Å; K995-S998 PolarHBondContact O-N 3.11Å; Q996-S998 VanDerWaalsContact C-N 3.33Å; Q996-S998 PolarHBondContact O-N 3.03Å; S998-A1001 PolarHBondContact O-N 3.49Å; S998-G1002 PolarHBondContact O-N 3.41Å
999	I	91.7	Very high	92.6	Very high	48 Å²	48	33.4 Å²	33.4	25%	0.246	19%	0.191	C	C	.	.	H	α-helix	trans	-64.4	-46.6	175.8	-65	163.9	0	0	0	110.5	E862 R972 K995 Q996 G1002 F1003	E862-I999 VanDerWaalsContact O-CD1 3.25Å; E862-I999 WeakPolarHBondContact O-CD1 3.43Å; R972-I999 HydrophobicContact CB-CG2 4.36Å; K995-I999 HydrophobicContact CG-CD1 4.26Å; K995-I999 WeakPolarHBondContact O-CG1 3.15Å; K995-I999 PolarHBondContact O-N 3.29Å; Q996-I999 PolarHBondContact O-N 2.72Å; I999-G1002 PolarHBondContact O-N 3.02Å; I999-F1003 WeakPolarHBondContact O-CB 3.21Å; I999-F1003 PolarHBondContact O-N 3.42Å
1000	A	93.6	Very high	92.4	Very high	6 Å²	6	38.7 Å²	38.7	5%	0.05	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-41.9	178.7	0	0	0	0	0	112.4	V932 Y991 Q996 A997 G1002 F1003 L1004	V932-A1000 HydrophobicContact CG2-CB 4.36Å; Y991-A1000 HydrophobicContact CE1-CB 3.77Å; Y991-A1000 HydrophobicContact CE2-CB 3.67Å; Y991-A1000 WeakPolarHBondContact OH-CB 3.44Å; Q996-A1000 WeakPolarHBondContact O-CB 3.43Å; Q996-A1000 PolarHBondContact O-N 2.85Å; A997-A1000 PolarHBondContact O-N 2.94Å; A1000-G1002 VanDerWaalsContact C-N 3.26Å; A1000-G1002 PolarHBondContact O-N 3.13Å; A1000-F1003 PolarHBondContact O-N 3.45Å; A1000-L1004 HydrophobicContact CB-CD1 4.4Å; A1000-L1004 VanDerWaalsContact O-CB 3.27Å; A1000-L1004 WeakPolarHBondContact O-CB 3.34Å; A1000-L1004 VanDerWaalsContact O-CG 3.29Å; A1000-L1004 WeakPolarHBondContact O-CG 3.47Å; A1000-L1004 PolarHBondContact O-N 3.14Å
1001	A	92.9	Very high	92.1	Very high	11 Å²	11	38.5 Å²	38.5	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-60.3	-36.1	176.3	0	0	0	0	0	112.1	V932 A997 S998 T1031 L1033	V932-A1001 HydrophobicContact CG1-CB 3.89Å; V932-A1001 HydrophobicContact CG2-CB 4.03Å; A997-A1001 WeakPolarHBondContact O-CB 3.16Å; A997-A1001 PolarHBondContact O-N 2.85Å; S998-A1001 PolarHBondContact O-N 3.49Å; A1001-T1031 PolarHBondContact O-OG1 3.25Å; A1001-L1033 HydrophobicContact CB-CD2 4.13Å; A1001-L1033 HydrophobicContact CB-CG 4.27Å
1002	G	92.2	Very high	91.5	Very high	58 Å²	58	43.8 Å²	43.8	60%	0.598	25%	0.252	S	S	*	.	H	α-helix	trans	-71.9	-44.5	173.3	0	0	0	0	0	113	S998 I999 A1000	S998-G1002 PolarHBondContact O-N 3.41Å; I999-G1002 PolarHBondContact O-N 3.02Å; A1000-G1002 VanDerWaalsContact C-N 3.26Å; A1000-G1002 PolarHBondContact O-N 3.13Å
1003	F	92.6	Very high	90.7	Very high	67 Å²	67	41.8 Å²	41.8	29%	0.294	24%	0.236	S	C	.	.	H	α-helix	trans	-70.1	-39.9	-176.4	171	-103	0	0	0	113.9	I968 S971 R972 I999 A1000 N1005 Y1007	I968-F1003 HydrophobicContact CG2-CE1 3.96Å; S971-F1003 WeakPolarHBondContact OG-CE1 3.28Å; S971-F1003 WeakPolarHBondContact OG-CZ 3.45Å; R972-F1003 HydrophobicContact CG-CD2 4.36Å; R972-F1003 HydrophobicContact CG-CG 4.26Å; I999-F1003 WeakPolarHBondContact O-CB 3.21Å; I999-F1003 PolarHBondContact O-N 3.42Å; A1000-F1003 PolarHBondContact O-N 3.45Å; F1003-N1005 VanDerWaalsContact C-N 3.3Å; F1003-Y1007 HydrophobicContact CE1-CE2 4.4Å; F1003-Y1007 HydrophobicContact CZ-CD2 4.42Å; F1003-Y1007 HydrophobicContact CZ-CE2 4.04Å
1004	L	94.7	Very high	89.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-78.5	-14.5	-177.5	-68.1	174	0	0	0	113	I968 L989 A1000 N1006 Y1007 L1029 T1031	I968-L1004 HydrophobicContact CG2-CD2 3.69Å; L989-L1004 HydrophobicContact CD1-CD1 3.7Å; A1000-L1004 HydrophobicContact CB-CD1 4.4Å; A1000-L1004 VanDerWaalsContact O-CB 3.27Å; A1000-L1004 WeakPolarHBondContact O-CB 3.34Å; A1000-L1004 VanDerWaalsContact O-CG 3.29Å; A1000-L1004 WeakPolarHBondContact O-CG 3.47Å; A1000-L1004 PolarHBondContact O-N 3.14Å; L1004-N1006 PolarHBondContact O-N 2.78Å; L1004-Y1007 WeakPolarHBondContact O-CB 3.45Å; L1004-Y1007 PolarHBondContact O-N 2.81Å; L1004-L1029 HydrophobicContact CD2-CD1 4.44Å; L1004-T1031 HydrophobicContact CB-CG2 3.61Å
1005	N	95.5	Very high	88.8	Confident	64 Å²	64	48 Å²	48	34%	0.342	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	127.9	-175.4	-164.9	37.1	0	0	0	110.4	F1003 Y1007 T1031	F1003-N1005 VanDerWaalsContact C-N 3.3Å; N1005-Y1007 PolarHBondContact O-N 2.68Å; N1005-T1031 WeakPolarHBondContact CA-OG1 3.25Å; N1005-T1031 WeakPolarHBondContact CB-OG1 3.45Å; N1005-T1031 PolarHBondContact N-OG1 3.06Å; N1005-T1031 PolarHBondContact OD1-N 2.87Å
1006	N	94.6	Very high	87.8	Confident	122 Å²	122	47 Å²	47	65%	0.652	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	15.4	-173.1	-46.3	-60.5	0	0	0	114.7	L1004 L1029	L1004-N1006 PolarHBondContact O-N 2.78Å; N1006-L1029 WeakPolarHBondContact CA-O 3.23Å; N1006-L1029 PolarHBondContact N-O 2.91Å
1007	Y	94.9	Very high	86.8	Confident	85 Å²	85	50.1 Å²	50.1	33%	0.333	31%	0.31	S	S	.	.			trans	-67.2	142.8	172.1	-157.8	-79.7	0	0	0	110	I968 F1003 L1004 N1005 I1009 L1029	I968-Y1007 HydrophobicContact CD1-CD1 4.31Å; I968-Y1007 HydrophobicContact CD1-CE1 3.62Å; I968-Y1007 HydrophobicContact CG1-CE1 4.21Å; I968-Y1007 HydrophobicContact CG2-CD1 4.15Å; I968-Y1007 HydrophobicContact CG2-CD2 4.11Å; I968-Y1007 HydrophobicContact CG2-CE1 3.84Å; I968-Y1007 HydrophobicContact CG2-CE2 3.78Å; I968-Y1007 HydrophobicContact CG2-CG 4.29Å; F1003-Y1007 HydrophobicContact CE1-CE2 4.4Å; F1003-Y1007 HydrophobicContact CZ-CD2 4.42Å; F1003-Y1007 HydrophobicContact CZ-CE2 4.04Å; L1004-Y1007 WeakPolarHBondContact O-CB 3.45Å; L1004-Y1007 PolarHBondContact O-N 2.81Å; N1005-Y1007 PolarHBondContact O-N 2.68Å; Y1007-I1009 HydrophobicContact CD1-CG1 3.92Å; Y1007-I1009 HydrophobicContact CE1-CG1 4.19Å; Y1007-L1029 WeakPolarHBondContact O-CG 3.15Å; Y1007-L1029 PolarHBondContact O-N 2.91Å
1008	I	93.7	Very high	85.9	Confident	76 Å²	76	51.4 Å²	51.4	39%	0.39	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.9	179.7	-58.2	173.4	0	0	0	108.5	E1026 I1027	I1008-E1026 HydrophobicContact CG2-CB 3.85Å; I1008-E1026 HydrophobicContact CG2-CG 3.8Å; I1008-I1027 WeakPolarHBondContact CA-O 3.36Å
1009	I	91.6	Very high	85	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.026	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.5	176.6	-57.8	-179.5	0	0	0	108.2	F961 L965 I968 Y1007 W1011 I1027 L1029	F961-I1009 HydrophobicContact CE2-CD1 4.16Å; L965-I1009 HydrophobicContact CB-CD1 4.46Å; L965-I1009 HydrophobicContact CD1-CD1 4.19Å; I968-I1009 HydrophobicContact CD1-CD1 3.77Å; I968-I1009 HydrophobicContact CD1-CG1 3.79Å; Y1007-I1009 HydrophobicContact CD1-CG1 3.92Å; Y1007-I1009 HydrophobicContact CE1-CG1 4.19Å; I1009-W1011 PolarHBondContact O-N 3.34Å; I1009-I1027 HydrophobicContact CB-CB 4.44Å; I1009-I1027 PolarHBondContact N-O 2.89Å; I1009-I1027 PolarHBondContact O-N 3.05Å; I1009-L1029 HydrophobicContact CD1-CD1 4.07Å; I1009-L1029 HydrophobicContact CD1-CD2 4.36Å; I1009-L1029 HydrophobicContact CD1-CG 4.49Å
1010	P	89.6	Confident	84.1	Confident	112 Å²	112	60.2 Å²	60.2	73%	0.727	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.1	128.7	166.9	-20.1	32.3	0	0	0	109.7
1011	W	86.7	Confident	83.3	Confident	12 Å²	12	62 Å²	62	5%	0.045	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	117.6	-174.7	-177.3	49.8	0	0	0	111.1	I938 V951 L955 D958 I1009 A1013 N1016 L1018 Y1025 I1027	I938-W1011 HydrophobicContact CD1-CH2 4.4Å; I938-W1011 HydrophobicContact CD1-CZ3 4.12Å; I938-W1011 HydrophobicContact CG2-CE3 3.83Å; I938-W1011 HydrophobicContact CG2-CZ3 3.7Å; V951-W1011 HydrophobicContact CG1-CH2 3.99Å; V951-W1011 HydrophobicContact CG1-CZ3 4.24Å; L955-W1011 HydrophobicContact CD2-CD2 4.37Å; L955-W1011 HydrophobicContact CD2-CH2 4.13Å; L955-W1011 HydrophobicContact CD2-CZ2 3.52Å; L955-W1011 HydrophobicContact CG-CZ2 4.42Å; D958-W1011 PolarHBondContact OD2-NE1 3.38Å; I1009-W1011 PolarHBondContact O-N 3.34Å; W1011-A1013 HydrophobicContact CD2-CB 4.22Å; W1011-A1013 HydrophobicContact CE3-CB 3.98Å; W1011-A1013 HydrophobicContact CH2-CB 4Å; W1011-A1013 HydrophobicContact CZ2-CB 4.22Å; W1011-A1013 HydrophobicContact CZ3-CB 3.85Å; W1011-A1013 PolarHBondContact O-N 3.09Å; W1011-N1016 VanDerWaalsContact CZ2-ND2 3.3Å; W1011-N1016 WeakPolarHBondContact CZ2-ND2 3.34Å; W1011-L1018 HydrophobicContact CH2-CD1 3.33Å; W1011-L1018 HydrophobicContact CZ2-CD1 4.4Å; W1011-L1018 HydrophobicContact CZ3-CD1 3.47Å; W1011-L1018 VanDerWaalsContact CZ3-CD1 3.47Å; W1011-Y1025 HydrophobicContact CE3-CG 4.3Å; W1011-Y1025 PolarHBondContact N-O 3.17Å; W1011-Y1025 PolarHBondContact O-N 3.01Å; W1011-I1027 HydrophobicContact CB-CD1 3.69Å; W1011-I1027 HydrophobicContact CB-CG1 3.77Å; W1011-I1027 HydrophobicContact CD2-CD1 3.77Å; W1011-I1027 HydrophobicContact CD2-CG1 4.19Å; W1011-I1027 HydrophobicContact CE3-CD1 4.32Å; W1011-I1027 HydrophobicContact CE3-CG1 4.32Å; W1011-I1027 HydrophobicContact CG-CD1 3.48Å; W1011-I1027 VanDerWaalsContact CG-CD1 3.48Å; W1011-I1027 HydrophobicContact CG-CG1 3.99Å
1012	D	79.5	Confident	82.4	Confident	113 Å²	113	65.3 Å²	65.3	60%	0.604	39%	0.393	S	S	*	.			trans	-86.5	99.1	171.2	-176.5	15.8	0	0	0	110.1	S1014	D1012-S1014 PolarHBondContact O-N 3.05Å; D1012-S1014 WeakPolarHBondContact OD1-CB 3.06Å; D1012-S1014 PolarHBondContact OD1-N 2.98Å; D1012-S1014 PolarHBondContact OD1-OG 2.81Å; D1012-S1014 VanDerWaalsContact OD1-OG 3.08Å; D1012-S1014 PolarHBondContact OD2-OG 2.55Å
1013	A	73.7	Confident	81.7	Confident	4 Å²	4	65.3 Å²	65.3	3%	0.033	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-79.1	7.7	179.4	0	0	0	0	0	114.2	W1011 S1015 N1016 L1018 Y1025	W1011-A1013 HydrophobicContact CD2-CB 4.22Å; W1011-A1013 HydrophobicContact CE3-CB 3.98Å; W1011-A1013 HydrophobicContact CH2-CB 4Å; W1011-A1013 HydrophobicContact CZ2-CB 4.22Å; W1011-A1013 HydrophobicContact CZ3-CB 3.85Å; W1011-A1013 PolarHBondContact O-N 3.09Å; A1013-S1015 PolarHBondContact O-N 2.74Å; A1013-N1016 PolarHBondContact O-N 2.81Å; A1013-L1018 HydrophobicContact CB-CB 3.65Å; A1013-L1018 HydrophobicContact CB-CD1 3.5Å; A1013-L1018 VanDerWaalsContact CB-CD1 3.5Å; A1013-L1018 HydrophobicContact CB-CG 4.2Å; A1013-Y1025 HydrophobicContact CB-CD2 3.57Å; A1013-Y1025 HydrophobicContact CB-CE2 3.83Å
1014	S	71	Confident	81.3	Confident	57 Å²	57	63.4 Å²	63.4	40%	0.399	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-60.9	-30	-175.6	71.2	0	0	0	0	113.9	D1012 N1016	D1012-S1014 PolarHBondContact O-N 3.05Å; D1012-S1014 WeakPolarHBondContact OD1-CB 3.06Å; D1012-S1014 PolarHBondContact OD1-N 2.98Å; D1012-S1014 PolarHBondContact OD1-OG 2.81Å; D1012-S1014 VanDerWaalsContact OD1-OG 3.08Å; D1012-S1014 PolarHBondContact OD2-OG 2.55Å; S1014-N1016 VanDerWaalsContact C-N 3.34Å
1015	S	68.1	Low	81	Confident	78 Å²	78	64.3 Å²	64.3	55%	0.545	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-73.3	-21.7	175.2	53.5	0	0	0	0	113.7	A1013	A1013-S1015 PolarHBondContact O-N 2.74Å
1016	N	70.7	Confident	80.7	Confident	23 Å²	23	62.9 Å²	62.9	12%	0.123	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-102.2	5.8	-170.1	-68.4	-45.1	0	0	0	114.2	Y954 D958 W1011 A1013 S1014 L1018	Y954-N1016 HydrophobicContact CD1-CB 3.8Å; Y954-N1016 VanDerWaalsContact CD1-O 3.25Å; Y954-N1016 WeakPolarHBondContact CD1-O 3.49Å; Y954-N1016 WeakPolarHBondContact CE1-O 3.39Å; Y954-N1016 HydrophobicContact CG-CB 4.02Å; D958-N1016 PolarHBondContact OD2-ND2 2.82Å; W1011-N1016 VanDerWaalsContact CZ2-ND2 3.3Å; W1011-N1016 WeakPolarHBondContact CZ2-ND2 3.34Å; A1013-N1016 PolarHBondContact O-N 2.81Å; S1014-N1016 VanDerWaalsContact C-N 3.34Å; N1016-L1018 VanDerWaalsContact C-N 3.28Å; N1016-L1018 PolarHBondContact O-N 2.9Å
1017	G	70.6	Confident	80.6	Confident	72 Å²	72	57.1 Å²	57.1	74%	0.742	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	10.8	178.7	0	0	0	0	0	115
1018	L	73.9	Confident	80.5	Confident	28 Å²	28	55.6 Å²	55.6	15%	0.147	35%	0.352	C	S	.	.			trans	-74.3	154.5	172.5	-81	165.2	0	0	0	111.7	L947 V951 W1011 A1013 N1016 K1020 Y1025	L947-L1018 HydrophobicContact CD2-CD2 4.5Å; V951-L1018 HydrophobicContact CG1-CD1 3.83Å; V951-L1018 HydrophobicContact CG2-CD2 4.25Å; W1011-L1018 HydrophobicContact CH2-CD1 3.33Å; W1011-L1018 HydrophobicContact CZ2-CD1 4.4Å; W1011-L1018 HydrophobicContact CZ3-CD1 3.47Å; W1011-L1018 VanDerWaalsContact CZ3-CD1 3.47Å; A1013-L1018 HydrophobicContact CB-CB 3.65Å; A1013-L1018 HydrophobicContact CB-CD1 3.5Å; A1013-L1018 VanDerWaalsContact CB-CD1 3.5Å; A1013-L1018 HydrophobicContact CB-CG 4.2Å; N1016-L1018 VanDerWaalsContact C-N 3.28Å; N1016-L1018 PolarHBondContact O-N 2.9Å; L1018-K1020 PolarHBondContact O-N 2.86Å; L1018-Y1025 HydrophobicContact CB-CE2 4.23Å
1019	P	72.8	Confident	80.6	Confident	84 Å²	84	52.1 Å²	52.1	55%	0.545	33%	0.334	S	S	.	.			trans	-58.7	133.9	178.3	-21.3	31.8	0	0	0	112.3	I1021 Y1025	P1019-I1021 PolarHBondContact O-N 3.41Å; P1019-Y1025 WeakPolarHBondContact O-CE2 3.19Å; P1019-Y1025 PolarHBondContact O-OH 2.87Å
1020	K	73.3	Confident	80.8	Confident	188 Å²	188	54.3 Å²	54.3	82%	0.817	35%	0.35	S	S	*	.			trans	-71.6	110.8	168.3	-72.7	-171.5	178.3	-174.3	0	109.4	L1018	L1018-K1020 PolarHBondContact O-N 2.86Å
1021	I	76.9	Confident	81.1	Confident	44 Å²	44	49.6 Å²	49.6	23%	0.226	32%	0.319	C	S	.	.			trans	-108	152.8	176.7	50.3	158.7	0	0	0	111.2	E940 P1019 G1023 G1024 Y1025	E940-I1021 HydrophobicContact CB-CD1 3.81Å; E940-I1021 HydrophobicContact CG-CD1 3.43Å; E940-I1021 VanDerWaalsContact CG-CD1 3.43Å; E940-I1021 WeakPolarHBondContact OE1-CD1 3.42Å; P1019-I1021 PolarHBondContact O-N 3.41Å; I1021-G1023 PolarHBondContact O-N 3.16Å; I1021-G1024 WeakPolarHBondContact CD1-O 3.49Å; I1021-G1024 PolarHBondContact O-N 3.27Å; I1021-Y1025 HydrophobicContact CD1-CD1 3.72Å; I1021-Y1025 HydrophobicContact CD1-CD2 4.26Å; I1021-Y1025 HydrophobicContact CD1-CE1 3.37Å; I1021-Y1025 HydrophobicContact CD1-CE2 4Å; I1021-Y1025 HydrophobicContact CD1-CG 4.14Å; I1021-Y1025 HydrophobicContact CG1-CD2 4.3Å; I1021-Y1025 HydrophobicContact CG1-CE1 4.04Å; I1021-Y1025 HydrophobicContact CG1-CE2 3.79Å
1022	A	75	Confident	81.5	Confident	79 Å²	79	51.5 Å²	51.5	65%	0.653	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	125.7	174.6	0	0	0	0	0	109.5	N942	N942-A1022 PolarHBondContact ND2-O 3.24Å
1023	G	75.4	Confident	82.1	Confident	58 Å²	58	48.1 Å²	48.1	60%	0.598	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-8.3	-178	0	0	0	0	0	115.6	S941 I1021	S941-G1023 WeakPolarHBondContact CB-O 3.44Å; S941-G1023 PolarHBondContact OG-O 3.24Å; I1021-G1023 PolarHBondContact O-N 3.16Å
1024	G	85.2	Confident	82.8	Confident	27 Å²	27	51.4 Å²	51.4	28%	0.278	33%	0.328	S	S	.	.			trans	70.2	-163	178	0	0	0	0	0	114.2	S941 I1021	S941-G1024 WeakPolarHBondContact CB-O 3.33Å; S941-G1024 PolarHBondContact N-O 2.65Å; S941-G1024 VanDerWaalsContact N-O 3.11Å; S941-G1024 VanDerWaalsContact OG-C 3.22Å; S941-G1024 PolarHBondContact OG-O 3.32Å; I1021-G1024 WeakPolarHBondContact CD1-O 3.49Å; I1021-G1024 PolarHBondContact O-N 3.27Å
1025	Y	87.4	Confident	83.2	Confident	20 Å²	20	53 Å²	53	8%	0.078	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	155.4	178	-62.1	-80.2	0	0	0	111	V939 L947 W1011 A1013 L1018 P1019 I1021	V939-Y1025 WeakPolarHBondContact O-CA 3.36Å; L947-Y1025 HydrophobicContact CD1-CD1 3.77Å; L947-Y1025 HydrophobicContact CD1-CE1 3.84Å; L947-Y1025 HydrophobicContact CD2-CD1 3.97Å; L947-Y1025 HydrophobicContact CD2-CE1 3.58Å; L947-Y1025 HydrophobicContact CG-CE1 4.25Å; W1011-Y1025 HydrophobicContact CE3-CG 4.3Å; W1011-Y1025 PolarHBondContact N-O 3.17Å; W1011-Y1025 PolarHBondContact O-N 3.01Å; A1013-Y1025 HydrophobicContact CB-CD2 3.57Å; A1013-Y1025 HydrophobicContact CB-CE2 3.83Å; L1018-Y1025 HydrophobicContact CB-CE2 4.23Å; P1019-Y1025 WeakPolarHBondContact O-CE2 3.19Å; P1019-Y1025 PolarHBondContact O-OH 2.87Å; I1021-Y1025 HydrophobicContact CD1-CD1 3.72Å; I1021-Y1025 HydrophobicContact CD1-CD2 4.26Å; I1021-Y1025 HydrophobicContact CD1-CE1 3.37Å; I1021-Y1025 HydrophobicContact CD1-CE2 4Å; I1021-Y1025 HydrophobicContact CD1-CG 4.14Å; I1021-Y1025 HydrophobicContact CG1-CD2 4.3Å; I1021-Y1025 HydrophobicContact CG1-CE1 4.04Å; I1021-Y1025 HydrophobicContact CG1-CE2 3.79Å
1026	E	90.4	Very high	83.3	Confident	34 Å²	34	51.6 Å²	51.6	16%	0.159	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.5	172.8	-76.2	167.2	-164	0	0	109.4	I938 V939 K944 I1008 H1028	I938-E1026 WeakPolarHBondContact CA-O 3.43Å; V939-E1026 HydrophobicContact CG2-CB 3.77Å; V939-E1026 PolarHBondContact N-O 3.25Å; V939-E1026 PolarHBondContact O-N 2.85Å; K944-E1026 IonicContact NZ-OE1 3.42Å; K944-E1026 PolarHBondContact NZ-OE1 3.18Å; K944-E1026 IonicContact NZ-OE2 3.87Å; K944-E1026 PolarHBondContact NZ-OE2 3.4Å; I1008-E1026 HydrophobicContact CG2-CB 3.85Å; I1008-E1026 HydrophobicContact CG2-CG 3.8Å; E1026-H1028 IonicContact OE2-CD2 3.62Å; E1026-H1028 IonicContact OE2-CE1 2.75Å; E1026-H1028 IonicContact OE2-NE2 3.25Å; E1026-H1028 PolarHBondContact OE2-NE2 2.88Å
1027	I	91.4	Very high	83.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.5	169.3	-60.6	171.2	0	0	0	107.9	L936 I938 L955 F961 I1008 I1009 W1011 L1029	L936-I1027 HydrophobicContact CB-CG2 4.19Å; L936-I1027 HydrophobicContact CD2-CG2 3.99Å; I938-I1027 HydrophobicContact CG1-CG1 4.44Å; L955-I1027 HydrophobicContact CD2-CD1 3.7Å; F961-I1027 HydrophobicContact CD2-CD1 3.44Å; F961-I1027 VanDerWaalsContact CD2-CD1 3.44Å; F961-I1027 HydrophobicContact CE2-CB 4.46Å; F961-I1027 HydrophobicContact CE2-CD1 3.42Å; F961-I1027 VanDerWaalsContact CE2-CD1 3.42Å; F961-I1027 HydrophobicContact CE2-CG2 4.14Å; F961-I1027 HydrophobicContact CG-CD1 4.16Å; F961-I1027 HydrophobicContact CZ-CD1 4.13Å; I1008-I1027 WeakPolarHBondContact CA-O 3.36Å; I1009-I1027 HydrophobicContact CB-CB 4.44Å; I1009-I1027 PolarHBondContact N-O 2.89Å; I1009-I1027 PolarHBondContact O-N 3.05Å; W1011-I1027 HydrophobicContact CB-CD1 3.69Å; W1011-I1027 HydrophobicContact CB-CG1 3.77Å; W1011-I1027 HydrophobicContact CD2-CD1 3.77Å; W1011-I1027 HydrophobicContact CD2-CG1 4.19Å; W1011-I1027 HydrophobicContact CE3-CD1 4.32Å; W1011-I1027 HydrophobicContact CE3-CG1 4.32Å; W1011-I1027 HydrophobicContact CG-CD1 3.48Å; W1011-I1027 VanDerWaalsContact CG-CD1 3.48Å; W1011-I1027 HydrophobicContact CG-CG1 3.99Å; I1027-L1029 HydrophobicContact CG2-CD2 3.92Å
1028	H	93.3	Very high	83.9	Confident	53 Å²	53	55.2 Å²	55.2	25%	0.245	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.6	177.7	-70.7	-132.6	0	0	0	108.7	K937 V939 E1026	K937-H1028 HydrophobicContact CB-CB 4.21Å; K937-H1028 PolarHBondContact N-O 2.79Å; K937-H1028 PolarHBondContact O-N 3.34Å; V939-H1028 VanDerWaalsContact CG2-CD2 3.48Å; V939-H1028 WeakPolarHBondContact CG2-CD2 3.41Å; V939-H1028 VanDerWaalsContact CG2-NE2 3.3Å; V939-H1028 WeakPolarHBondContact CG2-NE2 3.47Å; E1026-H1028 IonicContact OE2-CD2 3.62Å; E1026-H1028 IonicContact OE2-CE1 2.75Å; E1026-H1028 IonicContact OE2-NE2 3.25Å; E1026-H1028 PolarHBondContact OE2-NE2 2.88Å
1029	L	95.7	Very high	84.2	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.021	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	134.4	179.7	-50.7	-170.2	0	0	0	110.5	V934 L936 L965 L1004 N1006 Y1007 I1009 I1027 T1031	V934-L1029 HydrophobicContact CG1-CB 4.16Å; V934-L1029 HydrophobicContact CG1-CD1 4.15Å; V934-L1029 HydrophobicContact CG1-CD2 3.86Å; V934-L1029 HydrophobicContact CG1-CG 4.28Å; L936-L1029 HydrophobicContact CD2-CD2 3.32Å; L965-L1029 HydrophobicContact CD1-CD1 3.95Å; L1004-L1029 HydrophobicContact CD2-CD1 4.44Å; N1006-L1029 WeakPolarHBondContact CA-O 3.23Å; N1006-L1029 PolarHBondContact N-O 2.91Å; Y1007-L1029 WeakPolarHBondContact O-CG 3.15Å; Y1007-L1029 PolarHBondContact O-N 2.91Å; I1009-L1029 HydrophobicContact CD1-CD1 4.07Å; I1009-L1029 HydrophobicContact CD1-CD2 4.36Å; I1009-L1029 HydrophobicContact CD1-CG 4.49Å; I1027-L1029 HydrophobicContact CG2-CD2 3.92Å; L1029-T1031 HydrophobicContact CB-CG2 4.47Å
1030	S	96.5	Very high	84.7	Confident	51 Å²	51	54.7 Å²	54.7	36%	0.357	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130	159.6	-171.9	0	0	0	0	108.3	V934 D935	V934-S1030 CarbonylContact C-O 3.52Å; V934-S1030 WeakPolarHBondContact CA-O 3.22Å; D935-S1030 PolarHBondContact N-O 3.33Å; D935-S1030 PolarHBondContact O-N 3.23Å
1031	T	96.2	Very high	85.3	Confident	13 Å²	13	50 Å²	50	8%	0.08	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.7	-172.5	55.1	0	0	0	0	113	V932 Q933 V934 A1001 L1004 N1005 L1029	V932-T1031 HydrophobicContact CG1-CG2 4.4Å; Q933-T1031 CarbonylContact O-C 2.99Å; Q933-T1031 WeakPolarHBondContact O-CA 3.12Å; V934-T1031 HydrophobicContact CB-CG2 4.16Å; V934-T1031 HydrophobicContact CG1-CG2 3.96Å; V934-T1031 HydrophobicContact CG2-CG2 3.83Å; A1001-T1031 PolarHBondContact O-OG1 3.25Å; L1004-T1031 HydrophobicContact CB-CG2 3.61Å; N1005-T1031 WeakPolarHBondContact CA-OG1 3.25Å; N1005-T1031 WeakPolarHBondContact CB-OG1 3.45Å; N1005-T1031 PolarHBondContact N-OG1 3.06Å; N1005-T1031 PolarHBondContact OD1-N 2.87Å; L1029-T1031 HydrophobicContact CB-CG2 4.47Å
1032	S	93.9	Very high	85.4	Confident	52 Å²	52	53.1 Å²	53.1	36%	0.364	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	163.2	176.1	63.9	0	0	0	0	110.9	V932 Q933 Y1034	V932-S1032 CarbonylContact C-O 3.5Å; V932-S1032 WeakPolarHBondContact CA-O 3.21Å; Q933-S1032 PolarHBondContact N-O 2.84Å; Q933-S1032 PolarHBondContact O-N 3.29Å; S1032-Y1034 PolarHBondContact O-N 2.91Å
1033	L	91.7	Very high	85.9	Confident	42 Å²	42	50.3 Å²	50.3	22%	0.22	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	121.4	171.8	-72	173.5	0	0	0	109.8	P927 V932 A997 A1001 S1036	P927-L1033 HydrophobicContact CG-CB 4.41Å; P927-L1033 HydrophobicContact CG-CD1 4.11Å; V932-L1033 HydrophobicContact CG2-CD2 4.48Å; A997-L1033 HydrophobicContact CB-CD2 4.17Å; A1001-L1033 HydrophobicContact CB-CD2 4.13Å; A1001-L1033 HydrophobicContact CB-CG 4.27Å; L1033-S1036 WeakPolarHBondContact O-CB 3.31Å; L1033-S1036 PolarHBondContact O-OG 3.01Å
1034	Y	89.1	Confident	86.5	Confident	73 Å²	73	51 Å²	51	29%	0.286	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	133.5	-175.5	-179.4	-110.4	0	0	0	112	N929 T931 Q933 L982 L988 S1032 S1036	N929-Y1034 PolarHBondContact ND2-O 3.28Å; T931-Y1034 HydrophobicContact CG2-CD1 4.08Å; T931-Y1034 HydrophobicContact CG2-CG 4.17Å; T931-Y1034 PolarHBondContact O-N 3.07Å; Q933-Y1034 HydrophobicContact CB-CD2 4.34Å; L982-Y1034 HydrophobicContact CD2-CE2 4.05Å; L988-Y1034 HydrophobicContact CD1-CD1 4.16Å; L988-Y1034 HydrophobicContact CD1-CD2 4.24Å; L988-Y1034 HydrophobicContact CD1-CE1 4.04Å; L988-Y1034 HydrophobicContact CD1-CE2 4.13Å; L988-Y1034 HydrophobicContact CD1-CG 4.26Å; L988-Y1034 HydrophobicContact CD2-CD2 3.72Å; L988-Y1034 HydrophobicContact CD2-CE2 4.21Å; L988-Y1034 HydrophobicContact CD2-CG 3.96Å; S1032-Y1034 PolarHBondContact O-N 2.91Å; Y1034-S1036 PolarHBondContact O-N 2.83Å
1035	N	78.7	Confident	86.5	Confident	89 Å²	89	55 Å²	55	48%	0.476	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	37.9	177.8	-156	14.4	0	0	0	113.8	A1037	N1035-A1037 VanDerWaalsContact C-N 3.31Å; N1035-A1037 PolarHBondContact O-N 2.88Å
1036	S	71.9	Confident	86.4	Confident	50 Å²	50	54.3 Å²	54.3	35%	0.35	28%	0.28	S	S	.	.			trans	-87.5	14.2	-178.7	58.1	0	0	0	0	114	L1033 Y1034	L1033-S1036 WeakPolarHBondContact O-CB 3.31Å; L1033-S1036 PolarHBondContact O-OG 3.01Å; Y1034-S1036 PolarHBondContact O-N 2.83Å
1037	A	76.2	Confident	86.3	Confident	63 Å²	63	53.1 Å²	53.1	52%	0.521	27%	0.274	S	S	.	.	S	Bend	trans	-78.2	132.2	171.6	0	0	0	0	0	110.4	N1035 W1039	N1035-A1037 VanDerWaalsContact C-N 3.31Å; N1035-A1037 PolarHBondContact O-N 2.88Å; A1037-W1039 PolarHBondContact O-N 2.93Å
1038	N	77.4	Confident	86.1	Confident	107 Å²	107	58.7 Å²	58.7	57%	0.572	30%	0.3	S	S	*	.	S	Bend	trans	56.6	13	173.3	-50.3	-17.5	0	0	0	115.9	L1040 D1041 R1042	N1038-L1040 PolarHBondContact O-N 3.43Å; N1038-D1041 PolarHBondContact O-N 2.97Å; N1038-R1042 WeakPolarHBondContact O-CG 3.28Å; N1038-R1042 PolarHBondContact O-N 3.22Å
1039	W	80.4	Confident	85.6	Confident	57 Å²	57	56.8 Å²	56.8	22%	0.216	29%	0.292	C	S	.	.	H	α-helix	trans	-62.9	-36.1	-179.8	71.8	-89	0	0	0	111.3	A922 P927 A1037 R1042 M1043	A922-W1039 VanDerWaalsContact O-CH2 3.26Å; A922-W1039 WeakPolarHBondContact O-CH2 3.17Å; A922-W1039 WeakPolarHBondContact O-CZ3 3.46Å; P927-W1039 HydrophobicContact CB-CD2 4.38Å; P927-W1039 HydrophobicContact CB-CG 4.19Å; P927-W1039 HydrophobicContact CG-CD2 4.2Å; P927-W1039 HydrophobicContact CG-CG 4.12Å; A1037-W1039 PolarHBondContact O-N 2.93Å; W1039-R1042 PolarHBondContact O-N 3.48Å; W1039-M1043 WeakPolarHBondContact O-CB 3.36Å; W1039-M1043 PolarHBondContact O-N 2.78Å
1040	L	83.7	Confident	85.1	Confident	44 Å²	44	56.7 Å²	56.7	23%	0.23	29%	0.292	C	S	.	.	H	α-helix	trans	-65.9	-43.8	178.3	-173.2	61.8	0	0	0	110.5	E923 N1038 R1042 M1043 Q1044	E923-L1040 HydrophobicContact CB-CD1 4.43Å; N1038-L1040 PolarHBondContact O-N 3.43Å; L1040-R1042 VanDerWaalsContact C-N 3.33Å; L1040-R1042 PolarHBondContact O-N 2.99Å; L1040-M1043 CarbonylContact O-C 3.57Å; L1040-M1043 PolarHBondContact O-N 2.93Å; L1040-M1043 VanDerWaalsContact O-N 3.15Å; L1040-Q1044 WeakPolarHBondContact O-CB 3.46Å; L1040-Q1044 WeakPolarHBondContact O-CG 3.25Å; L1040-Q1044 PolarHBondContact O-N 3.36Å
1041	D	84.1	Confident	84.4	Confident	91 Å²	91	55.3 Å²	55.3	49%	0.487	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-41.9	175.2	-53.8	-38.8	0	0	0	111.6	N1038 M1043 Q1044 R1045	N1038-D1041 PolarHBondContact O-N 2.97Å; D1041-M1043 VanDerWaalsContact C-N 3.32Å; D1041-M1043 PolarHBondContact O-N 2.77Å; D1041-Q1044 PolarHBondContact O-N 3.31Å; D1041-R1045 VanDerWaalsContact O-CB 3.31Å; D1041-R1045 WeakPolarHBondContact O-CB 3.27Å; D1041-R1045 PolarHBondContact O-N 3.36Å
1042	R	80.6	Confident	83.5	Confident	108 Å²	108	59.2 Å²	59.2	41%	0.408	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-42.5	175.1	-70.4	176.8	-176.3	177.7	3	111.3	N1038 W1039 L1040 R1045 L1046	N1038-R1042 WeakPolarHBondContact O-CG 3.28Å; N1038-R1042 PolarHBondContact O-N 3.22Å; W1039-R1042 PolarHBondContact O-N 3.48Å; L1040-R1042 VanDerWaalsContact C-N 3.33Å; L1040-R1042 PolarHBondContact O-N 2.99Å; R1042-R1045 PolarHBondContact O-N 3.49Å; R1042-L1046 WeakPolarHBondContact O-CB 3.48Å; R1042-L1046 PolarHBondContact O-N 2.88Å
1043	M	85	Confident	82.6	Confident	20 Å²	20	59.1 Å²	59.1	10%	0.099	29%	0.287	C	S	.	.	H	α-helix	trans	-67.7	-44	178.3	-173.1	60.1	-173.9	0	0	111.6	L533 L540 I918 A922 W1039 L1040 D1041 R1045 L1046 I1047	L533-M1043 HydrophobicContact CD1-CE 3.8Å; L540-M1043 HydrophobicContact CD2-CE 3.87Å; I918-M1043 HydrophobicContact CG2-CE 4.26Å; A922-M1043 HydrophobicContact CB-CE 3.96Å; A922-M1043 HydrophobicContact CB-CG 3.79Å; W1039-M1043 WeakPolarHBondContact O-CB 3.36Å; W1039-M1043 PolarHBondContact O-N 2.78Å; L1040-M1043 CarbonylContact O-C 3.57Å; L1040-M1043 PolarHBondContact O-N 2.93Å; L1040-M1043 VanDerWaalsContact O-N 3.15Å; D1041-M1043 VanDerWaalsContact C-N 3.32Å; D1041-M1043 PolarHBondContact O-N 2.77Å; M1043-R1045 VanDerWaalsContact C-N 3.34Å; M1043-R1045 PolarHBondContact O-N 2.54Å; M1043-L1046 WeakPolarHBondContact O-CB 3.46Å; M1043-L1046 PolarHBondContact O-N 2.87Å; M1043-L1046 HydrophobicContact SD-CD2 4.02Å; M1043-I1047 HydrophobicContact CE-CD1 4.24Å; M1043-I1047 HydrophobicContact CE-CG1 4.23Å; M1043-I1047 HydrophobicContact CG-CD1 4.18Å; M1043-I1047 VanDerWaalsContact O-CG1 3.22Å; M1043-I1047 WeakPolarHBondContact O-CG1 3.41Å; M1043-I1047 PolarHBondContact O-N 3.09Å
1044	Q	88.2	Confident	81.8	Confident	74 Å²	74	58.1 Å²	58.1	35%	0.346	28%	0.281	S	S	.	.	H	α-helix	trans	-59	-45.9	174.3	-74.2	176.9	-5.6	0	0	111.2	L1040 D1041 L1046 I1047 E1048	L1040-Q1044 WeakPolarHBondContact O-CB 3.46Å; L1040-Q1044 WeakPolarHBondContact O-CG 3.25Å; L1040-Q1044 PolarHBondContact O-N 3.36Å; D1041-Q1044 PolarHBondContact O-N 3.31Å; Q1044-L1046 VanDerWaalsContact C-N 3.33Å; Q1044-L1046 PolarHBondContact O-N 3.18Å; Q1044-I1047 WeakPolarHBondContact O-CB 3.19Å; Q1044-I1047 PolarHBondContact O-N 3.03Å; Q1044-I1047 VanDerWaalsContact O-N 3.12Å; Q1044-E1048 WeakPolarHBondContact O-CG 3.29Å; Q1044-E1048 PolarHBondContact O-N 2.92Å
1045	R	85.2	Confident	80.7	Confident	110 Å²	110	56 Å²	56	42%	0.415	28%	0.277	S	S	.	.	H	α-helix	trans	-60.6	-41.2	174.4	-174.4	173	-176.2	159.8	3.3	112.4	D1041 R1042 M1043 I1047 E1048 I1049 M1221	D1041-R1045 VanDerWaalsContact O-CB 3.31Å; D1041-R1045 WeakPolarHBondContact O-CB 3.27Å; D1041-R1045 PolarHBondContact O-N 3.36Å; R1042-R1045 PolarHBondContact O-N 3.49Å; M1043-R1045 VanDerWaalsContact C-N 3.34Å; M1043-R1045 PolarHBondContact O-N 2.54Å; R1045-I1047 VanDerWaalsContact C-N 3.33Å; R1045-E1048 PolarHBondContact O-N 3.12Å; R1045-I1049 HydrophobicContact CG-CD1 3.92Å; R1045-I1049 HydrophobicContact CG-CG1 4.49Å; R1045-I1049 VanDerWaalsContact O-CG1 3.26Å; R1045-I1049 WeakPolarHBondContact O-CG1 3.46Å; R1045-I1049 PolarHBondContact O-N 3.21Å; R1045-M1221 PolarHBondContact NH2-SD 2.65Å
1046	L	85.4	Confident	79.8	Confident	5 Å²	5	54.8 Å²	54.8	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-43.9	174.2	173	62.7	0	0	0	111.1	T178 R532 L533 R1042 M1043 Q1044 S1050	T178-L1046 HydrophobicContact CG2-CB 4.46Å; R532-L1046 HydrophobicContact CG-CD1 3.79Å; L533-L1046 HydrophobicContact CD1-CD2 4.37Å; R1042-L1046 WeakPolarHBondContact O-CB 3.48Å; R1042-L1046 PolarHBondContact O-N 2.88Å; M1043-L1046 WeakPolarHBondContact O-CB 3.46Å; M1043-L1046 PolarHBondContact O-N 2.87Å; M1043-L1046 HydrophobicContact SD-CD2 4.02Å; Q1044-L1046 VanDerWaalsContact C-N 3.33Å; Q1044-L1046 PolarHBondContact O-N 3.18Å; L1046-S1050 WeakPolarHBondContact O-CB 3.28Å; L1046-S1050 PolarHBondContact O-N 2.69Å; L1046-S1050 PolarHBondContact O-OG 3.19Å
1047	I	88.5	Confident	79.1	Confident	9 Å²	9	54.9 Å²	54.9	5%	0.046	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-48.3	177.3	-65.8	162.1	0	0	0	110.2	R915 I918 M1043 Q1044 R1045 S1050 E1051	R915-I1047 HydrophobicContact CG-CG2 3.86Å; I918-I1047 HydrophobicContact CB-CD1 4.45Å; I918-I1047 HydrophobicContact CG2-CD1 3.62Å; I918-I1047 HydrophobicContact CG2-CG1 3.67Å; M1043-I1047 HydrophobicContact CE-CD1 4.24Å; M1043-I1047 HydrophobicContact CE-CG1 4.23Å; M1043-I1047 HydrophobicContact CG-CD1 4.18Å; M1043-I1047 VanDerWaalsContact O-CG1 3.22Å; M1043-I1047 WeakPolarHBondContact O-CG1 3.41Å; M1043-I1047 PolarHBondContact O-N 3.09Å; Q1044-I1047 WeakPolarHBondContact O-CB 3.19Å; Q1044-I1047 PolarHBondContact O-N 3.03Å; Q1044-I1047 VanDerWaalsContact O-N 3.12Å; R1045-I1047 VanDerWaalsContact C-N 3.33Å; I1047-S1050 WeakPolarHBondContact O-CB 3.39Å; I1047-S1050 PolarHBondContact O-N 2.98Å; I1047-E1051 HydrophobicContact CG2-CG 4.45Å; I1047-E1051 WeakPolarHBondContact O-CG 3.27Å; I1047-E1051 PolarHBondContact O-N 3.09Å
1048	E	85.6	Confident	77.9	Confident	117 Å²	117	54.1 Å²	54.1	55%	0.547	25%	0.254	S	S	.	.	H	α-helix	trans	-59.2	-49.1	179.2	-73	173.8	177.5	0	0	112.6	Q1044 R1045 S1050 E1051 R1052	Q1044-E1048 WeakPolarHBondContact O-CG 3.29Å; Q1044-E1048 PolarHBondContact O-N 2.92Å; R1045-E1048 PolarHBondContact O-N 3.12Å; E1048-S1050 VanDerWaalsContact C-N 3.31Å; E1048-S1050 PolarHBondContact O-N 2.68Å; E1048-E1051 PolarHBondContact O-N 2.76Å; E1048-R1052 WeakPolarHBondContact O-CB 3.47Å; E1048-R1052 PolarHBondContact O-N 2.96Å
1049	I	83.1	Confident	76.4	Confident	13 Å²	13	54 Å²	54	7%	0.067	25%	0.253	C	S	.	.	H	α-helix	trans	-63.4	-42.2	178.8	-62.5	164.5	0	0	0	110.3	T178 R532 R1045 E1051 R1052 E1053	T178-I1049 WeakPolarHBondContact O-CD1 3.24Å; R532-I1049 VanDerWaalsContact NH1-CG2 3.29Å; R1045-I1049 HydrophobicContact CG-CD1 3.92Å; R1045-I1049 HydrophobicContact CG-CG1 4.49Å; R1045-I1049 VanDerWaalsContact O-CG1 3.26Å; R1045-I1049 WeakPolarHBondContact O-CG1 3.46Å; R1045-I1049 PolarHBondContact O-N 3.21Å; I1049-E1051 PolarHBondContact O-N 2.76Å; I1049-R1052 PolarHBondContact O-N 3.44Å; I1049-E1053 PolarHBondContact O-N 3.02Å
1050	S	85.2	Confident	74.8	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.014	26%	0.26	C	S	.	.	H	α-helix	trans	-61.6	-42.5	179.4	-62	0	0	0	0	112.4	R532 L1046 I1047 E1048 E1054	R532-S1050 WeakPolarHBondContact CB-OG 3.37Å; L1046-S1050 WeakPolarHBondContact O-CB 3.28Å; L1046-S1050 PolarHBondContact O-N 2.69Å; L1046-S1050 PolarHBondContact O-OG 3.19Å; I1047-S1050 WeakPolarHBondContact O-CB 3.39Å; I1047-S1050 PolarHBondContact O-N 2.98Å; E1048-S1050 VanDerWaalsContact C-N 3.31Å; E1048-S1050 PolarHBondContact O-N 2.68Å; S1050-E1054 PolarHBondContact O-N 2.92Å; S1050-E1054 VanDerWaalsContact O-N 3.14Å
1051	E	83.1	Confident	73.6	Confident	22 Å²	22	62 Å²	62	10%	0.103	29%	0.288	C	S	.	.	H	α-helix	trans	-70	-34.7	177.3	-72.8	-67.8	162.9	0	0	112.3	R914 I1047 E1048 I1049 E1054 S1055	R914-E1051 IonicContact CZ-OE1 3.78Å; R914-E1051 VanDerWaalsContact CZ-OE1 3.28Å; R914-E1051 IonicContact CZ-OE2 3.37Å; R914-E1051 IonicContact NE-OE1 3.56Å; R914-E1051 PolarHBondContact NE-OE1 2.91Å; R914-E1051 IonicContact NH2-OE1 3.91Å; R914-E1051 PolarHBondContact NH2-OE1 2.99Å; R914-E1051 IonicContact NH2-OE2 3.17Å; R914-E1051 PolarHBondContact NH2-OE2 3.27Å; I1047-E1051 HydrophobicContact CG2-CG 4.45Å; I1047-E1051 WeakPolarHBondContact O-CG 3.27Å; I1047-E1051 PolarHBondContact O-N 3.09Å; E1048-E1051 PolarHBondContact O-N 2.76Å; I1049-E1051 PolarHBondContact O-N 2.76Å; E1051-E1054 CarbonylContact O-C 3.56Å; E1051-E1054 PolarHBondContact O-N 3.41Å; E1051-S1055 PolarHBondContact O-N 3.04Å
1052	R	77.3	Confident	73.1	Confident	96 Å²	96	58.8 Å²	58.8	36%	0.362	27%	0.27	S	S	.	.	H	α-helix	trans	-68.9	-41	175.4	-173.9	-177	68.7	-171.1	3.9	112.7	E1048 I1049 E1054 S1055 N1056 N1223	E1048-R1052 WeakPolarHBondContact O-CB 3.47Å; E1048-R1052 PolarHBondContact O-N 2.96Å; I1049-R1052 PolarHBondContact O-N 3.44Å; R1052-E1054 VanDerWaalsContact C-N 3.25Å; R1052-E1054 PolarHBondContact O-N 3.4Å; R1052-S1055 PolarHBondContact O-N 2.65Å; R1052-S1055 PolarHBondContact O-OG 2.97Å; R1052-N1056 PolarHBondContact O-N 2.85Å; R1052-N1223 PolarHBondContact NH1-ND2 2.78Å
1053	E	74.5	Confident	72.9	Confident	49 Å²	49	55.6 Å²	55.6	23%	0.229	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-41.5	171.9	-74.3	-172.6	133.3	0	0	110.8	R532 I1049 S1055 N1056 I1057	R532-E1053 WeakPolarHBondContact CB-OE2 3.42Å; R532-E1053 IonicContact CZ-OE1 2.78Å; R532-E1053 IonicContact CZ-OE2 3.57Å; R532-E1053 VanDerWaalsContact NE-CD 3.29Å; R532-E1053 IonicContact NE-OE1 3.72Å; R532-E1053 PolarHBondContact NE-OE1 3.27Å; R532-E1053 IonicContact NE-OE2 3.92Å; R532-E1053 PolarHBondContact NE-OE2 2.93Å; R532-E1053 IonicContact NH2-OE1 3.89Å; R532-E1053 PolarHBondContact NH2-OE1 2.85Å; R532-E1053 IonicContact NH2-OE2 2.7Å; I1049-E1053 PolarHBondContact O-N 3.02Å; E1053-S1055 VanDerWaalsContact C-N 3.34Å; E1053-S1055 PolarHBondContact O-N 3.27Å; E1053-N1056 PolarHBondContact O-N 3.18Å; E1053-I1057 WeakPolarHBondContact O-CD1 3.29Å; E1053-I1057 VanDerWaalsContact O-CG1 3.29Å; E1053-I1057 WeakPolarHBondContact O-CG1 3.46Å; E1053-I1057 PolarHBondContact O-N 2.83Å
1054	E	74.1	Confident	72.6	Confident	22 Å²	22	56.8 Å²	56.8	10%	0.103	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-32.4	174.4	-96.8	-152.8	-155.4	0	0	113.1	P530 R914 S1050 E1051 R1052 N1056 I1057 N1058	P530-E1054 WeakPolarHBondContact CA-OE1 3.34Å; P530-E1054 HydrophobicContact CB-CG 4.11Å; P530-E1054 HydrophobicContact CG-CG 4.29Å; P530-E1054 WeakPolarHBondContact CG-OE1 3.35Å; R914-E1054 IonicContact CZ-OE1 2.99Å; R914-E1054 IonicContact CZ-OE2 3.24Å; R914-E1054 IonicContact NH1-OE1 2.69Å; R914-E1054 PolarHBondContact NH1-OE1 3.33Å; R914-E1054 IonicContact NH1-OE2 2.77Å; R914-E1054 PolarHBondContact NH1-OE2 3.11Å; R914-E1054 VanDerWaalsContact NH1-OE2 3.1Å; R914-E1054 VanDerWaalsContact NH2-CD 3.26Å; R914-E1054 IonicContact NH2-OE1 3.67Å; R914-E1054 IonicContact NH2-OE2 2.78Å; R914-E1054 PolarHBondContact NH2-OE2 2.8Å; S1050-E1054 PolarHBondContact O-N 2.92Å; S1050-E1054 VanDerWaalsContact O-N 3.14Å; E1051-E1054 CarbonylContact O-C 3.56Å; E1051-E1054 PolarHBondContact O-N 3.41Å; R1052-E1054 VanDerWaalsContact C-N 3.25Å; R1052-E1054 PolarHBondContact O-N 3.4Å; E1054-N1056 VanDerWaalsContact C-N 3.34Å; E1054-I1057 CarbonylContact O-C 3.52Å; E1054-I1057 PolarHBondContact O-N 3.3Å; E1054-I1057 VanDerWaalsContact O-N 3.13Å; E1054-N1058 WeakPolarHBondContact O-CA 3.38Å; E1054-N1058 VanDerWaalsContact O-CB 3.23Å; E1054-N1058 WeakPolarHBondContact O-CB 3.42Å; E1054-N1058 PolarHBondContact O-N 2.9Å; E1054-N1058 PolarHBondContact OE2-ND2 3.26Å
1055	S	67.3	Low	72.4	Confident	29 Å²	29	59.1 Å²	59.1	20%	0.203	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-45.2	174.8	64.6	0	0	0	0	111.8	E1051 R1052 E1053 I1057 N1058 D1059	E1051-S1055 PolarHBondContact O-N 3.04Å; R1052-S1055 PolarHBondContact O-N 2.65Å; R1052-S1055 PolarHBondContact O-OG 2.97Å; E1053-S1055 VanDerWaalsContact C-N 3.34Å; E1053-S1055 PolarHBondContact O-N 3.27Å; S1055-I1057 PolarHBondContact O-N 3.27Å; S1055-N1058 CarbonylContact O-C 3.51Å; S1055-N1058 PolarHBondContact O-N 2.7Å; S1055-D1059 VanDerWaalsContact O-CG 3.28Å; S1055-D1059 PolarHBondContact O-N 2.98Å
1056	N	59.3	Low	72.3	Confident	63 Å²	63	55 Å²	55	34%	0.337	27%	0.274	S	S	.	.	H	α-helix	trans	-62.9	-27.4	175.9	-63.2	-11.8	0	0	0	112.2	R312 R1052 E1053 E1054	R312-N1056 WeakPolarHBondContact CD-O 3.31Å; R312-N1056 VanDerWaalsContact CG-O 3.23Å; R312-N1056 WeakPolarHBondContact CG-O 3.18Å; R1052-N1056 PolarHBondContact O-N 2.85Å; E1053-N1056 PolarHBondContact O-N 3.18Å; E1054-N1056 VanDerWaalsContact C-N 3.34Å
1057	I	57.3	Low	72.4	Confident	51 Å²	51	55.1 Å²	55.1	26%	0.262	28%	0.275	S	S	.	.	H	α-helix	trans	-83.7	-38.4	176.4	-64.4	164.6	0	0	0	112.1	C252 R312 E1053 E1054 S1055	C252-I1057 HydrophobicContact CB-CG1 4.42Å; R312-I1057 WeakPolarHBondContact CD-O 3.39Å; R312-I1057 PolarHBondContact NE-O 3.31Å; R312-I1057 PolarHBondContact NH1-O 3.22Å; E1053-I1057 WeakPolarHBondContact O-CD1 3.29Å; E1053-I1057 VanDerWaalsContact O-CG1 3.29Å; E1053-I1057 WeakPolarHBondContact O-CG1 3.46Å; E1053-I1057 PolarHBondContact O-N 2.83Å; E1054-I1057 CarbonylContact O-C 3.52Å; E1054-I1057 PolarHBondContact O-N 3.3Å; E1054-I1057 VanDerWaalsContact O-N 3.13Å; S1055-I1057 PolarHBondContact O-N 3.27Å
1058	N	51.2	Low	72.1	Confident	48 Å²	48	59.5 Å²	59.5	26%	0.257	30%	0.298	S	S	.	.	H	α-helix	trans	-115.8	27.1	-166.5	-74.3	-29.6	0	0	0	113.2	R911 E1054 S1055 C1060 R1061	R911-N1058 PolarHBondContact NH2-O 2.68Å; E1054-N1058 WeakPolarHBondContact O-CA 3.38Å; E1054-N1058 VanDerWaalsContact O-CB 3.23Å; E1054-N1058 WeakPolarHBondContact O-CB 3.42Å; E1054-N1058 PolarHBondContact O-N 2.9Å; E1054-N1058 PolarHBondContact OE2-ND2 3.26Å; S1055-N1058 CarbonylContact O-C 3.51Å; S1055-N1058 PolarHBondContact O-N 2.7Å; N1058-C1060 CarbonylContact O-C 3.57Å; N1058-C1060 WeakPolarHBondContact O-CA 3.43Å; N1058-C1060 PolarHBondContact O-N 3.3Å; N1058-C1060 VanDerWaalsContact O-O 3.06Å; N1058-R1061 PolarHBondContact O-N 3.04Å
1059	D	45	Very low	71.4	Confident	103 Å²	103	55.9 Å²	55.9	55%	0.551	29%	0.288	S	S	*	.			trans	-57.3	2.5	177.4	-98.1	-11.9	0	0	0	116	S1055	S1055-D1059 VanDerWaalsContact O-CG 3.28Å; S1055-D1059 PolarHBondContact O-N 2.98Å
1060	C	46.6	Very low	70.7	Confident	54 Å²	54	59.8 Å²	59.8	37%	0.365	31%	0.309	S	S	.	.			trans	-95	95.6	145.5	-64	0	0	0	0	108.9	N1058 I1062	N1058-C1060 CarbonylContact O-C 3.57Å; N1058-C1060 WeakPolarHBondContact O-CA 3.43Å; N1058-C1060 PolarHBondContact O-N 3.3Å; N1058-C1060 VanDerWaalsContact O-O 3.06Å; C1060-I1062 VanDerWaalsContact C-N 3.34Å; C1060-I1062 PolarHBondContact O-N 2.85Å
1061	R	59.1	Low	69.6	Low	216 Å²	216	64.9 Å²	64.9	82%	0.815	34%	0.342	S	S	*	.			trans	-42.7	116.4	138	-77.5	-177.6	-179	-178.8	1.5	103.7	N1058 P1063	N1058-R1061 PolarHBondContact O-N 3.04Å; R1061-P1063 VanDerWaalsContact C-N 3.31Å; R1061-P1063 WeakPolarHBondContact O-CD 3.3Å; R1061-P1063 VanDerWaalsContact O-CG 3.26Å; R1061-P1063 WeakPolarHBondContact O-CG 3.47Å
1062	I	73.6	Confident	68.3	Low	23 Å²	23	70.1 Å²	70.1	12%	0.118	37%	0.37	C	S	.	.			trans	-66.4	104.1	174.3	-59	176.2	0	0	0	103.4	L718 V908 C1060 V1066 F1067	L718-I1062 HydrophobicContact CD1-CD1 4.05Å; V908-I1062 HydrophobicContact CG1-CB 4.27Å; V908-I1062 HydrophobicContact CG2-CD1 4.47Å; C1060-I1062 VanDerWaalsContact C-N 3.34Å; C1060-I1062 PolarHBondContact O-N 2.85Å; I1062-V1066 HydrophobicContact CG2-CB 4.46Å; I1062-V1066 HydrophobicContact CG2-CG1 4.42Å; I1062-F1067 HydrophobicContact CB-CE2 4.47Å; I1062-F1067 HydrophobicContact CG2-CD2 4.34Å; I1062-F1067 HydrophobicContact CG2-CE2 3.46Å; I1062-F1067 VanDerWaalsContact CG2-CE2 3.46Å; I1062-F1067 HydrophobicContact CG2-CZ 3.9Å
1063	P	76.4	Confident	67	Low	42 Å²	42	71.5 Å²	71.5	27%	0.273	38%	0.383	S	S	.	.			trans	-67.1	144	-171.8	-16.1	33.2	0	0	0	108	R1061 E1065 V1066	R1061-P1063 VanDerWaalsContact C-N 3.31Å; R1061-P1063 WeakPolarHBondContact O-CD 3.3Å; R1061-P1063 VanDerWaalsContact O-CG 3.26Å; R1061-P1063 WeakPolarHBondContact O-CG 3.47Å; P1063-E1065 HydrophobicContact CB-CG 3.8Å; P1063-E1065 WeakPolarHBondContact CB-OE1 3.44Å; P1063-E1065 WeakPolarHBondContact CB-OE2 3.29Å; P1063-E1065 PolarHBondContact O-N 3.17Å; P1063-E1065 VanDerWaalsContact O-N 3.13Å; P1063-V1066 HydrophobicContact CB-CG2 4.39Å; P1063-V1066 HydrophobicContact CG-CG2 4.11Å; P1063-V1066 WeakPolarHBondContact O-CB 3.2Å; P1063-V1066 PolarHBondContact O-N 3.22Å
1064	A	79.7	Confident	65.7	Low	44 Å²	44	78.2 Å²	78.2	36%	0.364	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-56.4	-33.6	-179.1	0	0	0	0	0	111	V1066 F1067	A1064-V1066 PolarHBondContact O-N 3.07Å; A1064-F1067 PolarHBondContact O-N 3.02Å; A1064-F1067 VanDerWaalsContact O-N 3.09Å
1065	E	82.1	Confident	64.2	Low	124 Å²	124	85.1 Å²	85.1	58%	0.579	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-62.2	-24.3	176.1	62.8	-90.4	-155.4	0	0	114.2	P1063 F1067 N1068	P1063-E1065 HydrophobicContact CB-CG 3.8Å; P1063-E1065 WeakPolarHBondContact CB-OE1 3.44Å; P1063-E1065 WeakPolarHBondContact CB-OE2 3.29Å; P1063-E1065 PolarHBondContact O-N 3.17Å; P1063-E1065 VanDerWaalsContact O-N 3.13Å; E1065-F1067 PolarHBondContact O-N 2.78Å; E1065-N1068 WeakPolarHBondContact O-CB 3.44Å; E1065-N1068 PolarHBondContact O-N 2.67Å
1066	V	84.3	Confident	62.8	Low	24 Å²	24	91.3 Å²	91.3	15%	0.145	47%	0.471	C	S	.	.	G	3₁₀ helix	trans	-67.8	-18.8	175.4	167.2	0	0	0	0	111.6	R685 L686 I1062 P1063 A1064	R685-V1066 PolarHBondContact NH1-O 2.73Å; R685-V1066 WeakPolarHBondContact O-CG1 3.5Å; L686-V1066 HydrophobicContact CD2-CG1 3.6Å; L686-V1066 HydrophobicContact CG-CG1 3.99Å; I1062-V1066 HydrophobicContact CG2-CB 4.46Å; I1062-V1066 HydrophobicContact CG2-CG1 4.42Å; P1063-V1066 HydrophobicContact CB-CG2 4.39Å; P1063-V1066 HydrophobicContact CG-CG2 4.11Å; P1063-V1066 WeakPolarHBondContact O-CB 3.2Å; P1063-V1066 PolarHBondContact O-N 3.22Å; A1064-V1066 PolarHBondContact O-N 3.07Å
1067	F	86.9	Confident	61.8	Low	6 Å²	6	96.3 Å²	96.3	3%	0.026	50%	0.498	C	S	.	.	G	3₁₀ helix	trans	-90	-15.2	171.1	-64.1	-85.1	0	0	0	113.4	H555 L686 L718 V906 V908 I1062 A1064 E1065	H555-F1067 HydrophobicContact CB-CB 4.09Å; H555-F1067 HydrophobicContact CB-CD1 3.67Å; H555-F1067 HydrophobicContact CB-CD2 3.62Å; H555-F1067 HydrophobicContact CB-CE1 3.9Å; H555-F1067 HydrophobicContact CB-CE2 3.86Å; H555-F1067 HydrophobicContact CB-CG 3.51Å; H555-F1067 HydrophobicContact CB-CZ 3.99Å; H555-F1067 AromaticContact CD2-CD2 3.94Å; H555-F1067 AromaticContact CD2-CE2 3.71Å; H555-F1067 AromaticContact CG-CD2 3.42Å; H555-F1067 VanDerWaalsContact CG-CD2 3.42Å; H555-F1067 AromaticContact CG-CE2 3.63Å; H555-F1067 AromaticContact CG-CG 3.83Å; H555-F1067 AromaticContact ND1-CD2 3.61Å; L686-F1067 HydrophobicContact CD2-CD1 4.19Å; L686-F1067 HydrophobicContact CD2-CE1 4.2Å; L718-F1067 HydrophobicContact CD2-CE1 3.81Å; L718-F1067 HydrophobicContact CD2-CZ 4.29Å; L718-F1067 HydrophobicContact CG-CE1 4.38Å; L718-F1067 HydrophobicContact CG-CZ 4.38Å; V906-F1067 HydrophobicContact CB-CE1 3.98Å; V906-F1067 HydrophobicContact CB-CZ 4.35Å; V906-F1067 HydrophobicContact CG1-CE1 3.86Å; V906-F1067 HydrophobicContact CG1-CZ 3.83Å; V906-F1067 HydrophobicContact CG2-CE1 4.31Å; V908-F1067 HydrophobicContact CG2-CE2 3.8Å; V908-F1067 HydrophobicContact CG2-CZ 3.79Å; I1062-F1067 HydrophobicContact CB-CE2 4.47Å; I1062-F1067 HydrophobicContact CG2-CD2 4.34Å; I1062-F1067 HydrophobicContact CG2-CE2 3.46Å; I1062-F1067 VanDerWaalsContact CG2-CE2 3.46Å; I1062-F1067 HydrophobicContact CG2-CZ 3.9Å; A1064-F1067 PolarHBondContact O-N 3.02Å; A1064-F1067 VanDerWaalsContact O-N 3.09Å; E1065-F1067 PolarHBondContact O-N 2.78Å
1068	N	83.2	Confident	60.7	Low	102 Å²	102	102.9 Å²	102.9	55%	0.545	53%	0.525	S	S	.	.	S	Bend	trans	-78.9	138.1	177.7	-65.7	-24.9	0	0	0	109.4	R685 E1065 L1070	R685-N1068 PolarHBondContact NE-O 3.31Å; E1065-N1068 WeakPolarHBondContact O-CB 3.44Å; E1065-N1068 PolarHBondContact O-N 2.67Å; N1068-L1070 PolarHBondContact O-N 3.39Å
1069	A	71.2	Confident	59.9	Low	41 Å²	41	109.2 Å²	109.2	34%	0.339	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-64.3	134.8	168.5	0	0	0	0	0	108.5	P615	P615-A1069 HydrophobicContact CG-CB 3.79Å
1070	L	68.1	Low	59.4	Low	94 Å²	94	115.1 Å²	115.1	49%	0.492	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-62.5	140.5	168.5	-73.6	170.3	0	0	0	108.4	D663 N1068 L1072	D663-L1070 HydrophobicContact CB-CD1 3.95Å; N1068-L1070 PolarHBondContact O-N 3.39Å; L1070-L1072 PolarHBondContact O-N 2.73Å
1071	P	62.1	Low	58.7	Low	110 Å²	110	117.2 Å²	117.2	71%	0.714	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-53.5	127.4	175.3	-21	30.2	0	0	0	108.8	I1073	P1071-I1073 PolarHBondContact O-N 3.31Å
1072	L	55.4	Low	57.6	Low	132 Å²	132	111.7 Å²	111.7	69%	0.691	57%	0.572	S	S	*	*			trans	-56	115.9	170.7	-124.8	86.4	0	0	0	106.5	L1070 K1074	L1070-L1072 PolarHBondContact O-N 2.73Å; L1072-K1074 VanDerWaalsContact C-N 3.28Å; L1072-K1074 PolarHBondContact O-N 3.4Å
1073	I	50.5	Low	55.9	Low	124 Å²	124	118.6 Å²	118.6	64%	0.636	60%	0.602	S	S	*	*			trans	-62.7	105.4	163.7	-61.6	175.1	0	0	0	103.4	P1071 K1075	P1071-I1073 PolarHBondContact O-N 3.31Å; I1073-K1075 PolarHBondContact O-N 2.9Å
1074	K	45.7	Very low	54.2	Low	190 Å²	190	124.1 Å²	124.1	83%	0.826	62%	0.621	S	S	*	*			trans	-55.6	97.3	171.7	-75.2	-175.4	178.5	-179	0	105.8	L1072 L1076	L1072-K1074 VanDerWaalsContact C-N 3.28Å; L1072-K1074 PolarHBondContact O-N 3.4Å; K1074-L1076 PolarHBondContact O-N 3.43Å
1075	K	44.3	Very low	52	Low	167 Å²	167	127.8 Å²	127.8	73%	0.726	64%	0.635	S	S	*	*			trans	-57.4	103.8	162.5	-81	-179.4	179.7	169	0	103.7	I1073 D1077	I1073-K1075 PolarHBondContact O-N 2.9Å; K1075-D1077 PolarHBondContact O-N 2.81Å
1076	L	37.1	Very low	50.1	Low	160 Å²	160	126.4 Å²	126.4	84%	0.838	63%	0.631	S	S	*	*			trans	-35	123.8	173.5	-166.4	82.6	0	0	0	107.9	K1074 K1078	K1074-L1076 PolarHBondContact O-N 3.43Å; L1076-K1078 PolarHBondContact O-N 3.39Å
1077	D	37.2	Very low	47.7	Very low	168 Å²	168	130.3 Å²	130.3	90%	0.898	65%	0.652	S	S	*	*			trans	-32.9	81.2	-176	-92.1	-37.1	0	0	0	112.6	K1075 Q1079	K1075-D1077 PolarHBondContact O-N 2.81Å; D1077-Q1079 PolarHBondContact O-N 3.44Å
1078	K	35.7	Very low	44.9	Very low	189 Å²	189	137.8 Å²	137.8	82%	0.822	69%	0.692	S	S	*	*			trans	-86.1	108.1	153.8	-73.5	-170.8	178.7	-176	0	101	L1076 R1080	L1076-K1078 PolarHBondContact O-N 3.39Å; K1078-R1080 PolarHBondContact O-N 2.81Å
1079	Q	34.8	Very low	42.3	Very low	180 Å²	180	142.1 Å²	142.1	84%	0.841	71%	0.709	S	S	*	*			trans	-18.8	123.4	163.6	-66.2	176.4	-12.7	0	0	109.1	D1077	D1077-Q1079 PolarHBondContact O-N 3.44Å
1080	R	32.5	Very low	40.2	Very low	228 Å²	228	148.3 Å²	148.3	86%	0.86	73%	0.731	S	S	*	*			trans	-19.7	110.4	174	-101.1	-178	177	178.4	-2.3	107.6	K1078	K1078-R1080 PolarHBondContact O-N 2.81Å
1081	P	32.6	Very low	38.2	Very low	97 Å²	97	149.2 Å²	149.2	63%	0.63	74%	0.741	S	S	*	*			trans	-49.1	127.7	175.3	18.3	-28.4	0	0	0	105.3	K1083	P1081-K1083 PolarHBondContact O-N 3Å
1082	P	35.6	Very low	36.6	Very low	101 Å²	101	150.9 Å²	150.9	66%	0.656	74%	0.742	S	S	*	*			trans	-50	139.4	-177.9	21.3	-31	0	0	0	106.5	F1084	P1082-F1084 WeakPolarHBondContact O-CA 3.39Å; P1082-F1084 PolarHBondContact O-N 2.79Å
1083	K	39.1	Very low	35.3	Very low	168 Å²	168	152.5 Å²	152.5	73%	0.73	75%	0.752	S	S	*	*	S	Bend	trans	-28.8	110.3	177	-76.3	-173.4	175.6	-170.1	0	107.3	P1081 D1085	P1081-K1083 PolarHBondContact O-N 3Å; K1083-D1085 PolarHBondContact O-N 3.42Å
1084	F	39.8	Very low	34.2	Very low	157 Å²	157	150.2 Å²	150.2	69%	0.689	75%	0.747	S	S	*	*			trans	-30.9	111.1	-166.7	-100.2	-95.3	0	0	0	110	R657 P1082 D1086	R657-F1084 HydrophobicContact CG-CE2 4.46Å; P1082-F1084 WeakPolarHBondContact O-CA 3.39Å; P1082-F1084 PolarHBondContact O-N 2.79Å; F1084-D1086 VanDerWaalsContact C-N 3.32Å; F1084-D1086 PolarHBondContact O-N 2.76Å
1085	D	34.5	Very low	33.4	Very low	122 Å²	122	146.8 Å²	146.8	65%	0.652	74%	0.737	S	S	*	*			trans	-69.7	95.1	-174.7	-144.6	-19.7	0	0	0	107.3	K1083 N1087	K1083-D1085 PolarHBondContact O-N 3.42Å; D1085-N1087 PolarHBondContact O-N 2.76Å; D1085-N1087 PolarHBondContact OD1-ND2 3.05Å
1086	D	41.6	Very low	32.6	Very low	94 Å²	94	143.6 Å²	143.6	50%	0.503	73%	0.728	S	S	.	*			trans	-76.8	22.7	-165.5	-113.5	-16	0	0	0	113.5	R573 F1084	R573-D1086 IonicContact CZ-OD1 3.67Å; R573-D1086 IonicContact CZ-OD2 3.21Å; R573-D1086 IonicContact NE-OD2 3.53Å; R573-D1086 PolarHBondContact NH1-O 3.29Å; R573-D1086 IonicContact NH1-OD1 2.66Å; R573-D1086 IonicContact NH1-OD2 2.81Å; R573-D1086 IonicContact NH2-OD1 2.72Å; R573-D1086 PolarHBondContact NH2-OD1 2.87Å; R573-D1086 IonicContact NH2-OD2 3.17Å; R573-D1086 PolarHBondContact NH2-OD2 2.87Å; R573-D1086 VanDerWaalsContact NH2-OD2 3.13Å; F1084-D1086 VanDerWaalsContact C-N 3.32Å; F1084-D1086 PolarHBondContact O-N 2.76Å
1087	N	33.7	Very low	32.3	Very low	106 Å²	106	144.4 Å²	144.4	57%	0.567	73%	0.728	S	S	*	*			trans	-97.3	4.5	-166.9	-75.1	-36.8	0	0	0	115.4	D1085 E1089	D1085-N1087 PolarHBondContact O-N 2.76Å; D1085-N1087 PolarHBondContact OD1-ND2 3.05Å; N1087-E1089 VanDerWaalsContact C-N 3.32Å; N1087-E1089 PolarHBondContact O-N 2.87Å
1088	N	28.5	Very low	31.9	Very low	163 Å²	163	139.4 Å²	139.4	87%	0.872	70%	0.701	S	S	*	*			trans	-76.4	87.7	173	-83.9	-8.6	0	0	0	110.7	Q1090	N1088-Q1090 PolarHBondContact O-N 2.96Å
1089	E	28.7	Very low	31.6	Very low	193 Å²	193	139.2 Å²	139.2	90%	0.902	70%	0.701	S	S	*	*			trans	-61	83.1	158	-72.4	-176.1	156.7	0	0	109.7	N1087	N1087-E1089 VanDerWaalsContact C-N 3.32Å; N1087-E1089 PolarHBondContact O-N 2.87Å
1090	Q	26	Very low	31.3	Very low	171 Å²	171	137.7 Å²	137.7	80%	0.799	69%	0.694	S	S	*	*			trans	-102.8	106.5	143.6	-82	-176.1	-8.7	0	0	106.9	N1088 L1092	N1088-Q1090 PolarHBondContact O-N 2.96Å; Q1090-L1092 PolarHBondContact O-N 2.7Å
1091	T	27.4	Very low	31.2	Very low	114 Å²	114	130.9 Å²	130.9	70%	0.699	67%	0.674	S	S	*	*			trans	-25	103.4	166.1	38.5	0	0	0	0	112.8	N1093	T1091-N1093 PolarHBondContact O-N 3.41Å
1092	L	27.6	Very low	30.9	Very low	144 Å²	144	132.8 Å²	132.8	75%	0.754	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	26.3	172.1	-96	156.6	0	0	0	113.3	Q1090	Q1090-L1092 PolarHBondContact O-N 2.7Å
1093	N	27.6	Very low	30.6	Very low	167 Å²	167	133.9 Å²	133.9	89%	0.893	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.7	17.7	-179.4	-89.5	-11.7	0	0	0	114.5	T1091	T1091-N1093 PolarHBondContact O-N 3.41Å
1094	S	28.4	Very low	30.2	Very low	75 Å²	75	130.6 Å²	130.6	52%	0.524	67%	0.673	S	S	.	*	S	Bend	trans	-135.8	-21	170	64.2	0	0	0	0	117.5
1095	D	29.3	Very low	29.4	Very low	118 Å²	118	129.9 Å²	129.9	63%	0.631	68%	0.676	S	S	*	*	S	Bend	trans	-119.9	40.9	-164.9	-61.6	7.6	0	0	0	114.4
1096	N	27.9	Very low	29.1	Very low	100 Å²	100	131.8 Å²	131.8	54%	0.535	69%	0.685	S	S	.	*	S	Bend	trans	-141.9	20	169.4	-91	-50.8	0	0	0	115.2
1097	E	29.1	Very low	28.2	Very low	178 Å²	178	134.4 Å²	134.4	83%	0.832	70%	0.699	S	S	*	*	S	Bend	trans	-80.3	-5.3	149.5	-71.2	-162.9	156.3	0	0	111.8
1098	D	29.7	Very low	27.9	Very low	63 Å²	63	137.3 Å²	137.3	34%	0.337	71%	0.713	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.1	13.7	-171.1	-71.6	-30	0	0	0	116.9	E1100 N1101 D1102	D1098-E1100 PolarHBondContact O-N 2.79Å; D1098-E1100 VanDerWaalsContact O-N 3.13Å; D1098-N1101 HydrophobicContact CB-CB 4.24Å; D1098-N1101 PolarHBondContact O-N 2.77Å; D1098-N1101 VanDerWaalsContact OD1-CB 3.3Å; D1098-N1101 WeakPolarHBondContact OD1-CB 3.49Å; D1098-N1101 PolarHBondContact OD1-ND2 3.15Å; D1098-D1102 PolarHBondContact O-N 3.15Å; D1098-D1102 VanDerWaalsContact O-N 3.13Å
1099	F	29.9	Very low	27.6	Very low	184 Å²	184	136.4 Å²	136.4	81%	0.807	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-8.2	158.1	-106.1	-84	0	0	0	112.5
1100	E	28.5	Very low	27.6	Very low	148 Å²	148	138.8 Å²	138.8	69%	0.692	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-23.1	164.5	-74.8	-168.8	158.9	0	0	114.5	D1098	D1098-E1100 PolarHBondContact O-N 2.79Å; D1098-E1100 VanDerWaalsContact O-N 3.13Å
1101	N	29.5	Very low	27.6	Very low	86 Å²	86	135.6 Å²	135.6	46%	0.46	71%	0.711	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.9	-11.9	-171.2	-69.4	-34.9	0	0	0	117.5	D1098 I1103 T1104	D1098-N1101 HydrophobicContact CB-CB 4.24Å; D1098-N1101 PolarHBondContact O-N 2.77Å; D1098-N1101 VanDerWaalsContact OD1-CB 3.3Å; D1098-N1101 WeakPolarHBondContact OD1-CB 3.49Å; D1098-N1101 PolarHBondContact OD1-ND2 3.15Å; N1101-I1103 PolarHBondContact O-N 3.3Å; N1101-T1104 PolarHBondContact O-N 2.86Å; N1101-T1104 PolarHBondContact O-OG1 3.41Å
1102	D	26.7	Very low	27.6	Very low	136 Å²	136	136.8 Å²	136.8	73%	0.727	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	11.4	177.3	-94.8	-14.5	0	0	0	115.3	D1098	D1098-D1102 PolarHBondContact O-N 3.15Å; D1098-D1102 VanDerWaalsContact O-N 3.13Å
1103	I	29.5	Very low	27.5	Very low	125 Å²	125	138.6 Å²	138.6	64%	0.641	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115	8.2	172.8	-68.1	175.8	0	0	0	112.1	K341 N1101	K341-I1103 VanDerWaalsContact NZ-CD1 3.27Å; N1101-I1103 PolarHBondContact O-N 3.3Å
1104	T	29.8	Very low	27.4	Very low	99 Å²	99	136.8 Å²	136.8	61%	0.607	72%	0.72	S	S	*	*			trans	-107.7	6.7	179.9	45.8	0	0	0	0	117	N1101 L1106	N1101-T1104 PolarHBondContact O-N 2.86Å; N1101-T1104 PolarHBondContact O-OG1 3.41Å; T1104-L1106 VanDerWaalsContact C-N 3.28Å; T1104-L1106 PolarHBondContact O-N 3.25Å
1105	N	23.6	Very low	27.3	Very low	142 Å²	142	138.9 Å²	138.9	76%	0.759	74%	0.735	S	S	*	*			trans	-85.3	66.5	170	-77.5	-31.5	0	0	0	112.6
1106	L	28	Very low	27.2	Very low	162 Å²	162	142 Å²	142	85%	0.848	75%	0.746	S	S	*	*			trans	-116.2	98.2	153.4	-86.1	165.8	0	0	0	107.4	T1104 I1108	T1104-L1106 VanDerWaalsContact C-N 3.28Å; T1104-L1106 PolarHBondContact O-N 3.25Å; L1106-I1108 PolarHBondContact O-N 2.98Å; L1106-I1108 VanDerWaalsContact O-N 3.08Å
1107	N	23.4	Very low	27.2	Very low	148 Å²	148	143.1 Å²	143.1	79%	0.791	76%	0.758	S	S	*	*			trans	-52.8	107.7	177.5	-82.2	-34.8	0	0	0	111.8
1108	I	26.9	Very low	27.2	Very low	167 Å²	167	146.1 Å²	146.1	86%	0.856	76%	0.762	S	S	*	*			trans	-124.9	98.1	152.7	-60.4	-179	0	0	0	107.4	L1106 R1110	L1106-I1108 PolarHBondContact O-N 2.98Å; L1106-I1108 VanDerWaalsContact O-N 3.08Å; I1108-R1110 PolarHBondContact O-N 3.42Å
1109	N	22.9	Very low	27.3	Very low	144 Å²	144	151.1 Å²	151.1	77%	0.77	79%	0.789	S	S	*	*			trans	-59.7	121.7	172.6	-75.4	-40.6	0	0	0	111.2
1110	R	28	Very low	27.3	Very low	244 Å²	244	153.7 Å²	153.7	92%	0.921	79%	0.793	S	S	*	*			trans	-166.8	113.5	136.7	-107	170.6	-172.2	-176.9	2.7	110.2	I1108	I1108-R1110 PolarHBondContact O-N 3.42Å
1111	A	25.2	Very low	27.4	Very low	103 Å²	103	152 Å²	152	85%	0.851	80%	0.795	S	S	*	*			trans	-63.8	128.9	177.5	0	0	0	0	0	111.7
1112	V	27.9	Very low	27.5	Very low	139 Å²	139	153.5 Å²	153.5	84%	0.842	81%	0.81	S	S	*	*			trans	-131.5	118.7	155.5	179	0	0	0	0	106.2
1113	E	25.5	Very low	27.6	Very low	183 Å²	183	152.8 Å²	152.8	86%	0.855	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-58.7	137.5	-174.4	-71	177.8	147.9	0	0	112.9	S1115	E1113-S1115 PolarHBondContact O-N 3.42Å
1114	P	25.6	Very low	27.5	Very low	128 Å²	128	152.8 Å²	152.8	83%	0.831	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-82.3	118.2	178.3	30.8	-30.7	0	0	0	111.5
1115	S	27	Very low	27.4	Very low	119 Å²	119	159.2 Å²	159.2	83%	0.832	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-65.4	135.7	170.5	57.8	0	0	0	0	112	E1113	E1113-S1115 PolarHBondContact O-N 3.42Å
1116	Q	26.7	Very low	27.6	Very low	184 Å²	184	157.9 Å²	157.9	86%	0.86	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-53.1	146.7	-176.2	-72.3	-172.6	-21.1	0	0	115.5	R1118	Q1116-R1118 PolarHBondContact O-N 3.48Å
1117	P	27.8	Very low	27.6	Very low	123 Å²	123	154.5 Å²	154.5	80%	0.799	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-77.1	122.9	-174	30.4	-32.6	0	0	0	112.2
1118	R	29.7	Very low	27.8	Very low	241 Å²	241	152.6 Å²	152.6	91%	0.909	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-73.9	123.7	166.4	-77.8	-177.2	175.4	176.8	-1	109.9	Q1116 R1120	Q1116-R1118 PolarHBondContact O-N 3.48Å; R1118-R1120 PolarHBondContact O-N 2.98Å
1119	N	30.8	Very low	27.9	Very low	169 Å²	169	150.4 Å²	150.4	90%	0.904	82%	0.82	S	S	*	*			trans	-46.9	106.8	170	-74.9	-28.6	0	0	0	111.5
1120	R	31.3	Very low	28	Very low	237 Å²	237	151.8 Å²	151.8	89%	0.894	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-90.3	130.6	164.8	-101.6	-174	-169	-172.8	4.8	108.9	R1118	R1118-R1120 PolarHBondContact O-N 2.98Å
1121	P	28.7	Very low	28	Very low	112 Å²	112	147.4 Å²	147.4	73%	0.727	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-65.8	156.5	174.2	27.4	-32.7	0	0	0	111.3
1122	P	32.5	Very low	28.2	Very low	119 Å²	119	152.1 Å²	152.1	77%	0.773	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-62.3	148.9	-174.8	24.2	-33	0	0	0	112.4
1123	P	28.1	Very low	28	Very low	120 Å²	120	153.6 Å²	153.6	78%	0.779	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-62.9	140.7	-177.9	25.4	-32.7	0	0	0	111.1	R1125	P1123-R1125 PolarHBondContact O-N 2.93Å
1124	P	27.8	Very low	27.9	Very low	126 Å²	126	150.6 Å²	150.6	82%	0.818	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-62.2	133.1	179.9	23.9	-30.9	0	0	0	110.4
1125	R	28.5	Very low	27.9	Very low	233 Å²	233	149.7 Å²	149.7	88%	0.879	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-55.5	135.5	178.7	-166.7	-179.9	-73.5	-141.3	0.9	109.3	P1123 A1127	P1123-R1125 PolarHBondContact O-N 2.93Å; R1125-A1127 PolarHBondContact O-N 3.25Å
1126	P	27.7	Very low	27.5	Very low	114 Å²	114	149.6 Å²	149.6	74%	0.74	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-55.6	134	179.6	-21.1	30.3	0	0	0	110.5
1127	A	27	Very low	27.4	Very low	91 Å²	91	148 Å²	148	75%	0.752	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-56.3	134.1	174.9	0	0	0	0	0	109.5	R1125	R1125-A1127 PolarHBondContact O-N 3.25Å
1128	P	27.9	Very low	27.2	Very low	109 Å²	109	145.4 Å²	145.4	71%	0.708	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-58.4	147.4	175.5	-17.9	29.4	0	0	0	110.3	L1130	P1128-L1130 PolarHBondContact O-N 3.33Å
1129	P	28.5	Very low	26.8	Very low	120 Å²	120	140.5 Å²	140.5	78%	0.779	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-59	126.5	177.2	23.7	-30.3	0	0	0	109.3	I1131	P1129-I1131 PolarHBondContact O-N 3.42Å
1130	L	25.9	Very low	26.3	Very low	174 Å²	174	135.9 Å²	135.9	91%	0.911	80%	0.795	S	S	*	*			trans	-49.7	104.6	179.8	-83.5	155.5	0	0	0	110.3	P1128 K1132	P1128-L1130 PolarHBondContact O-N 3.33Å; L1130-K1132 PolarHBondContact O-N 3.13Å
1131	I	28.2	Very low	25.7	Very low	151 Å²	151	132.1 Å²	132.1	77%	0.774	79%	0.793	S	S	*	*			trans	-65.6	119.3	169.6	-65.4	173.5	0	0	0	105.9	P1129 Q1133	P1129-I1131 PolarHBondContact O-N 3.42Å; I1131-Q1133 VanDerWaalsContact C-N 3.31Å; I1131-Q1133 PolarHBondContact O-N 3Å
1132	K	28	Very low	25.3	Very low	202 Å²	202	133.7 Å²	133.7	88%	0.878	80%	0.795	S	S	*	*			trans	-55.4	90.4	176	-68.2	-179.5	176.8	-176.3	0	109.8	L1130 S1134	L1130-K1132 PolarHBondContact O-N 3.13Å; K1132-S1134 PolarHBondContact O-N 3.37Å
1133	Q	24.1	Very low	24.7	Very low	171 Å²	171	135.3 Å²	135.3	80%	0.799	80%	0.798	S	S	*	*			trans	-72.7	113.7	161.5	-80.3	-175.1	-15.4	0	0	107.1	I1131 V1135	I1131-Q1133 VanDerWaalsContact C-N 3.31Å; I1131-Q1133 PolarHBondContact O-N 3Å; Q1133-V1135 VanDerWaalsContact C-N 3.33Å; Q1133-V1135 PolarHBondContact O-N 3.2Å
1134	S	24	Very low	24.5	Very low	119 Å²	119	135 Å²	135	83%	0.832	80%	0.798	S	S	*	*			trans	-61.2	92.5	167.6	47.6	0	0	0	0	108.9	K1132	K1132-S1134 PolarHBondContact O-N 3.37Å
1135	V	25.2	Very low	24.2	Very low	110 Å²	110	138.2 Å²	138.2	67%	0.667	80%	0.799	S	S	*	*			trans	-89.4	104.2	162.6	-173.5	0	0	0	0	106.5	Q1133 I1137	Q1133-V1135 VanDerWaalsContact C-N 3.33Å; Q1133-V1135 PolarHBondContact O-N 3.2Å; V1135-I1137 HydrophobicContact CG1-CD1 4.18Å; V1135-I1137 HydrophobicContact CG1-CG1 3.81Å; V1135-I1137 PolarHBondContact O-N 3.05Å
1136	S	19.9	Very low	24.1	Very low	117 Å²	117	134.7 Å²	134.7	82%	0.818	80%	0.798	S	S	*	*			trans	-62.5	108.5	163.5	43.1	0	0	0	0	108.9
1137	I	24.5	Very low	23.8	Very low	151 Å²	151	137.5 Å²	137.5	77%	0.774	80%	0.801	S	S	*	*			trans	-115.7	115.2	164.2	-59.2	-177.1	0	0	0	106.3	V1135	V1135-I1137 HydrophobicContact CG1-CD1 4.18Å; V1135-I1137 HydrophobicContact CG1-CG1 3.81Å; V1135-I1137 PolarHBondContact O-N 3.05Å
1138	G	22.7	Very low	23.7	Very low	67 Å²	67	143.1 Å²	143.1	69%	0.691	81%	0.809	S	S	*	*			trans	-67.7	161.7	-174.5	0	0	0	0	0	113.8	G1140	G1138-G1140 PolarHBondContact O-N 3.25Å
1139	S	20.5	Very low	23.6	Very low	139 Å²	139	145.2 Å²	145.2	97%	0.972	81%	0.814	S	S	*	*			trans	-46.1	119.4	171.7	-56.2	0	0	0	0	112.6
1140	G	21.6	Very low	23.2	Very low	71 Å²	71	147.2 Å²	147.2	73%	0.732	82%	0.818	S	S	*	*			trans	-154.2	102.6	169.1	0	0	0	0	0	109.5	G1138 N1142	G1138-G1140 PolarHBondContact O-N 3.25Å; G1140-N1142 PolarHBondContact O-N 2.6Å
1141	N	18.3	Very low	23	Very low	158 Å²	158	149.2 Å²	149.2	85%	0.845	82%	0.815	S	S	*	*			trans	-51.4	127.7	162	-98	-15.6	0	0	0	110.2
1142	N	21.3	Very low	22.7	Very low	146 Å²	146	147 Å²	147	78%	0.781	81%	0.811	S	S	*	*			trans	175.2	113.8	132.4	-90.9	-19.8	0	0	0	112.6	G1140	G1140-N1142 PolarHBondContact O-N 2.6Å
1143	N	19.9	Very low	22.3	Very low	153 Å²	153	143.2 Å²	143.2	82%	0.818	81%	0.805	S	S	*	*			trans	29.4	115.2	131.5	-66.9	-20.1	0	0	0	121.2
1144	S	23.3	Very low	22.1	Very low	114 Å²	114	143.1 Å²	143.1	80%	0.797	81%	0.81	S	S	*	*				-176	107.8	127	34	0	0	0	0	107.3
1145	K	21.5	Very low	21.9	Very low	193 Å²	193	143.8 Å²	143.8	84%	0.839	80%	0.804	S	S	*	*				64.2	106.7	83.6	-82.6	-167.2	173.6	-173.7	0	114.3
1146	D	26.1	Very low	21.7	Very low	158 Å²	158	144.9 Å²	144.9	85%	0.845	81%	0.806	S	S	*	*			trans	-141.7	84.2	142.8	-82.2	-30.5	0	0	0	104.7
1147	E	21.5	Very low	21.9	Very low	174 Å²	174	145.6 Å²	145.6	81%	0.813	80%	0.801	S	S	*	*				63.8	84.7	104.6	-73.8	-172.2	173.8	0	0	113.8
1148	F	25.6	Very low	21.7	Very low	209 Å²	209	143.3 Å²	143.3	92%	0.917	80%	0.798	S	S	*	*			trans	-119.1	124	149	-95.3	-86.1	0	0	0	106.9	D1150	F1148-D1150 PolarHBondContact O-N 2.82Å
1149	D	24.3	Very low	21.7	Very low	152 Å²	152	148.3 Å²	148.3	81%	0.813	81%	0.808	S	S	*	*			trans	-58.7	119.8	-172.7	-69	-53.3	0	0	0	113.5
1150	D	20.6	Very low	21.7	Very low	162 Å²	162	148.4 Å²	148.4	87%	0.866	80%	0.797	S	S	*	*			trans	-83.9	125.6	160	-89.5	-34.7	0	0	0	109.6	F1148	F1148-D1150 PolarHBondContact O-N 2.82Å
1151	Y	22.1	Very low	21.5	Very low	216 Å²	216	151 Å²	151	85%	0.847	80%	0.799	S	S	*	*			trans	-106.4	154	157.4	-96.5	-77.8	0	0	0	108.6
1152	P	21.2	Very low	21.7	Very low	106 Å²	106	153.2 Å²	153.2	69%	0.688	80%	0.801	S	S	*	*				-100.6	144.9	-119.7	16.2	3.7	0	0	0	113.2
1153	T	19.3	Very low	21.6	Very low	122 Å²	122	156 Å²	156	75%	0.748	81%	0.806	S	S	*	*			trans	-4.7	126.4	145.1	52.1	0	0	0	0	117.4
1154	N	21.8	Very low	21.6	Very low	168 Å²	168	154.6 Å²	154.6	90%	0.898	80%	0.803	S	S	*	*				-140.9	99.1	129.3	-121.4	-4.5	0	0	0	110.4
1155	N	18.8	Very low	21.4	Very low	133 Å²	133	157.2 Å²	157.2	71%	0.711	81%	0.808	S	S	*	*			trans	-65.6	133.1	155.3	-87.4	-22.1	0	0	0	108.4
1156	N	22	Very low	21.5	Very low	134 Å²	134	155.3 Å²	155.3	72%	0.717	81%	0.806	S	S	*	*				162.7	141.5	112.4	-91.4	-24.9	0	0	0	113
1157	N	22.4	Very low	21.4	Very low	131 Å²	131	152.9 Å²	152.9	70%	0.701	80%	0.801	S	S	*	*			trans	79.5	101.1	146.8	-62.6	-10.7	0	0	0	119.1
1158	S	20.2	Very low	21.5	Very low	104 Å²	104	151.3 Å²	151.3	73%	0.727	80%	0.798	S	S	*	*				-1.1	128.8	123.3	61.9	0	0	0	0	116.3
1159	I	22.8	Very low	21.4	Very low	172 Å²	172	147.2 Å²	147.2	88%	0.882	79%	0.793	S	S	*	*			trans	-149.2	138.3	134	-93.8	145.3	0	0	0	108.9
1160	N	20.7	Very low	21.4	Very low	140 Å²	140	147.3 Å²	147.3	75%	0.749	79%	0.792	S	S	*	*			trans	-47.4	138.5	-177.9	-76.7	-37.1	0	0	0	117.7	K1162	N1160-K1162 PolarHBondContact O-N 3.21Å
1161	T	19	Very low	21.6	Very low	127 Å²	127	144.5 Å²	144.5	78%	0.779	79%	0.785	S	S	*	*				11.1	103.5	125	47.9	0	0	0	0	117.1
1162	K	20.8	Very low	21.7	Very low	204 Å²	204	143.7 Å²	143.7	89%	0.887	79%	0.789	S	S	*	*			trans	-132.7	120.5	141	-91	-173.1	178.1	177.4	0	110.1	N1160	N1160-K1162 PolarHBondContact O-N 3.21Å
1163	K	19.3	Very low	21.9	Very low	204 Å²	204	143.3 Å²	143.3	89%	0.887	80%	0.795	S	S	*	*			trans	-57.1	125.2	167.9	-68.6	172.2	172	179.4	0	109.6
1164	T	20.5	Very low	22.3	Very low	123 Å²	123	145.1 Å²	145.1	76%	0.755	80%	0.8	S	S	*	*			trans	-139.3	112	152	37.2	0	0	0	0	107.7	I1166	T1164-I1166 PolarHBondContact O-N 2.86Å
1165	N	19.6	Very low	22.6	Very low	169 Å²	169	145 Å²	145	90%	0.904	80%	0.799	S	S	*	*			trans	-57.9	117.8	166	-71.5	-24.3	0	0	0	108.4
1166	I	23.3	Very low	23	Very low	154 Å²	154	146.8 Å²	146.8	79%	0.79	80%	0.803	S	S	*	*			trans	-131.7	112.8	157.4	-61	-179.3	0	0	0	105.6	T1164	T1164-I1166 PolarHBondContact O-N 2.86Å
1167	S	23.5	Very low	23.3	Very low	106 Å²	106	147.5 Å²	147.5	74%	0.741	81%	0.806	S	S	*	*			trans	-57.6	133.9	175.1	43.4	0	0	0	0	112.1	P1169	S1167-P1169 WeakPolarHBondContact O-CD 2.75Å
1168	D	24	Very low	23.7	Very low	141 Å²	141	148.2 Å²	148.2	75%	0.754	81%	0.81	S	S	*	*			trans	-54.2	124.1	168.7	-84.1	-49.4	0	0	0	112.6
1169	P	24.1	Very low	24.2	Very low	123 Å²	123	147 Å²	147	80%	0.799	80%	0.801	S	S	*	*			trans	-99.5	77	157.3	34	-20.5	0	0	0	108.1	S1167	S1167-P1169 WeakPolarHBondContact O-CD 2.75Å
1170	L	23.9	Very low	24.4	Very low	155 Å²	155	147.2 Å²	147.2	81%	0.812	80%	0.796	S	S	*	*			trans	-111.8	64.1	169.6	-99.1	156.5	0	0	0	108.6
1171	S	25.1	Very low	24.6	Very low	102 Å²	102	149.2 Å²	149.2	71%	0.713	80%	0.798	S	S	*	*	S	Bend	trans	-161.3	64.2	168.2	56.6	0	0	0	0	110.7
1172	Q	24.5	Very low	25.1	Very low	200 Å²	200	152 Å²	152	94%	0.935	80%	0.799	S	S	*	*	S	Bend	trans	173.7	72.4	158.8	-98.3	161.6	28.4	0	0	109.6
1173	A	25.3	Very low	25.4	Very low	97 Å²	97	150.8 Å²	150.8	80%	0.802	79%	0.794	S	S	*	*			trans	-157.8	27.7	165.3	0	0	0	0	0	112.9
1174	D	26	Very low	25.7	Very low	160 Å²	160	147.6 Å²	147.6	86%	0.856	79%	0.785	S	S	*	*	S	Bend	trans	-122.8	76.2	170.6	-77.7	-37.5	0	0	0	107.6
1175	N	28.7	Very low	25.9	Very low	166 Å²	166	151.2 Å²	151.2	89%	0.888	79%	0.791	S	S	*	*	S	Bend	trans	-168.5	18	162.6	-97.1	-24.1	0	0	0	115.8
1176	E	27.7	Very low	26.1	Very low	170 Å²	170	147.7 Å²	147.7	79%	0.794	78%	0.779	S	S	*	*	S	Bend	trans	-123.7	10.1	-179.2	-96.2	-166.3	162.6	0	0	117.1
1177	I	27.9	Very low	26.3	Very low	149 Å²	149	148.6 Å²	148.6	76%	0.764	78%	0.784	S	S	*	*	S	Bend	trans	-99.1	-16.7	175.3	-61.3	-179.7	0	0	0	113	S1179	I1177-S1179 PolarHBondContact O-N 3.27Å
1178	D	30.6	Very low	26.3	Very low	147 Å²	147	148.5 Å²	148.5	79%	0.786	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-0.1	-177.2	-109.9	-12.5	0	0	0	115.8
1179	S	30.1	Very low	26.3	Very low	79 Å²	79	151 Å²	151	55%	0.552	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	-9.5	-179.9	71.9	0	0	0	0	115	I1177	I1177-S1179 PolarHBondContact O-N 3.27Å
1180	K	27.1	Very low	26.3	Very low	176 Å²	176	150.5 Å²	150.5	77%	0.765	79%	0.789	S	S	*	*	S	Bend	trans	-89.8	-20.4	178.4	-89.3	-178.3	177.3	173.8	0	114.8
1181	F	26	Very low	26.2	Very low	182 Å²	182	152 Å²	152	80%	0.798	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-13.3	179.7	-93.9	-83.2	0	0	0	114.9
1182	K	29.9	Very low	26.1	Very low	184 Å²	184	153.6 Å²	153.6	80%	0.8	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	5.2	177.3	-86.7	-176.6	175.6	176.5	0	115.6
1183	K	26.1	Very low	25.9	Very low	180 Å²	180	151.6 Å²	151.6	78%	0.783	79%	0.794	S	S	*	*	S	Bend	trans	-105.7	8.9	-177	-94.2	-175.5	176.9	179.4	0	116.5
1184	I	26.8	Very low	25.9	Very low	137 Å²	137	152.7 Å²	152.7	70%	0.703	80%	0.796	S	S	*	*	S	Bend	trans	-97.7	-10.5	176.9	-63.5	178.3	0	0	0	113
1185	F	23.7	Very low	25.8	Very low	199 Å²	199	150.3 Å²	150.3	87%	0.873	79%	0.789	S	S	*	*	S	Bend	trans	-123.3	83.4	172.5	-79.2	-84.1	0	0	0	111.3
1186	S	24.2	Very low	25.4	Very low	94 Å²	94	148.2 Å²	148.2	66%	0.657	78%	0.782	S	S	*	*			trans	-169.5	74.8	160.4	23.7	0	0	0	0	109.1	S1188	S1186-S1188 PolarHBondContact O-N 3.47Å
1187	I	26.6	Very low	25.3	Very low	173 Å²	173	149 Å²	149	89%	0.887	79%	0.785	S	S	*	*			trans	-86.2	99.7	164.4	-64.1	176.2	0	0	0	106.4
1188	S	25	Very low	24.9	Very low	104 Å²	104	150.3 Å²	150.3	73%	0.727	79%	0.788	S	S	*	*			trans	-70.9	140.6	177.1	49.4	0	0	0	0	112.2	S1186	S1186-S1188 PolarHBondContact O-N 3.47Å
1189	H	23.4	Very low	24.6	Very low	193 Å²	193	150 Å²	150	89%	0.894	79%	0.791	S	S	*	*			trans	-44.9	127.2	171.1	-67.6	-30.5	0	0	0	114.8
1190	S	24.9	Very low	24.2	Very low	113 Å²	113	150.9 Å²	150.9	79%	0.79	80%	0.798	S	S	*	*			trans	-116.2	106.2	157	59.2	0	0	0	0	109.2
1191	Q	20.2	Very low	24	Very low	186 Å²	186	147.6 Å²	147.6	87%	0.869	80%	0.796	S	S	*	*			trans	-66.3	125.9	166.6	-69.3	172.7	-19.4	0	0	109.5
1192	T	24.2	Very low	23.9	Very low	137 Å²	137	148.1 Å²	148.1	84%	0.84	80%	0.798	S	S	*	*			trans	-140.9	127.2	154.9	49.8	0	0	0	0	109.8
1193	N	20.1	Very low	23.6	Very low	157 Å²	157	146.9 Å²	146.9	84%	0.84	80%	0.8	S	S	*	*			trans	-75.1	139.1	-178.8	-71.5	-36.9	0	0	0	111.6
1194	S	23.8	Very low	23.5	Very low	121 Å²	121	146.6 Å²	146.6	85%	0.846	81%	0.807	S	S	*	*			trans	-168	157.8	145.6	-92.4	0	0	0	0	112.9
1195	P	25.3	Very low	23.5	Very low	110 Å²	110	145 Å²	145	71%	0.714	80%	0.804	S	S	*	*			trans	-108.6	157.4	-137.5	38.7	-32.4	0	0	0	115.9
1196	V	19.7	Very low	23.7	Very low	122 Å²	122	140.6 Å²	140.6	74%	0.739	80%	0.804	S	S	*	*			trans	55.1	110.3	139.4	-177.8	0	0	0	0	118.3
1197	H	24.8	Very low	23.7	Very low	185 Å²	185	143.5 Å²	143.5	86%	0.856	81%	0.811	S	S	*	*				-148.2	113.4	129.2	-116.1	-78	0	0	0	110	V1199	H1197-V1199 PolarHBondContact O-N 3.23Å
1198	E	19.8	Very low	23.8	Very low	178 Å²	178	139.2 Å²	139.2	83%	0.832	80%	0.796	S	S	*	*			trans	-61.9	123.3	165.5	-75.4	173.4	126.7	0	0	109.7
1199	V	25.1	Very low	23.8	Very low	139 Å²	139	141.5 Å²	141.5	84%	0.842	80%	0.8	S	S	*	*			trans	-131.5	120.6	148.6	179.6	0	0	0	0	107.7	H1197	H1197-V1199 PolarHBondContact O-N 3.23Å
1200	S	21.8	Very low	23.9	Very low	99 Å²	99	137.5 Å²	137.5	69%	0.692	79%	0.785	S	S	*	*			trans	-84.7	144.3	-170.4	25.6	0	0	0	0	112.5
1201	S	22.1	Very low	23.9	Very low	106 Å²	106	139.2 Å²	139.2	74%	0.741	78%	0.784	S	S	*	*			trans	72.7	130.3	146.3	74.5	0	0	0	0	119.9
1202	K	23.9	Very low	24.2	Very low	193 Å²	193	139.9 Å²	139.9	84%	0.839	79%	0.785	S	S	*	*			trans	89.9	78.2	164.9	-55.8	-178.2	179.3	179	0	117.1
1203	L	25.3	Very low	24.2	Very low	159 Å²	159	137.5 Å²	137.5	83%	0.832	77%	0.77	S	S	*	*				-163.6	96.4	125.9	-125.5	90	0	0	0	108.6	T1205	L1203-T1205 PolarHBondContact O-N 3.37Å
1204	N	22.6	Very low	24.6	Very low	174 Å²	174	135.9 Å²	135.9	93%	0.93	77%	0.768	S	S	*	*			trans	-82.7	90.8	168.2	-88.4	-12.5	0	0	0	107.9
1205	T	27.3	Very low	24.7	Very low	103 Å²	103	139.3 Å²	139.3	63%	0.632	76%	0.764	S	S	*	*			trans	-135.8	108.9	156.5	39.4	0	0	0	0	105.9	L1203 I1207	L1203-T1205 PolarHBondContact O-N 3.37Å; T1205-I1207 PolarHBondContact O-N 3.01Å
1206	A	27	Very low	24.7	Very low	106 Å²	106	141.7 Å²	141.7	88%	0.876	77%	0.771	S	S	*	*			trans	-52.9	109.8	178.6	0	0	0	0	0	109.7	S1208	A1206-S1208 PolarHBondContact O-N 3.49Å; A1206-S1208 VanDerWaalsContact O-N 3.15Å
1207	I	24.5	Very low	25.1	Very low	156 Å²	156	141.9 Å²	141.9	80%	0.8	77%	0.768	S	S	*	*			trans	-75.7	96.8	165.7	-62.4	173.1	0	0	0	105.2	T1205	T1205-I1207 PolarHBondContact O-N 3.01Å
1208	S	28.3	Very low	25.2	Very low	82 Å²	82	137.4 Å²	137.4	57%	0.573	76%	0.757	S	S	*	*			trans	-63.6	135.6	164.3	-176	0	0	0	0	108.4	A1206 D1210	A1206-S1208 PolarHBondContact O-N 3.49Å; A1206-S1208 VanDerWaalsContact O-N 3.15Å; S1208-D1210 PolarHBondContact O-N 3.46Å; S1208-D1210 PolarHBondContact OG-OD2 2.93Å
1209	N	25.7	Very low	25.5	Very low	153 Å²	153	136.2 Å²	136.2	82%	0.818	76%	0.755	S	S	*	*	S	Bend	trans	-72.3	46.5	179.3	-86.6	-29.6	0	0	0	113.1	L1211	N1209-L1211 PolarHBondContact O-N 2.86Å
1210	D	26.2	Very low	25.6	Very low	109 Å²	109	137.3 Å²	137.3	58%	0.583	75%	0.75	S	S	*	*			trans	-99.8	65.1	174.7	-64.5	-49.2	0	0	0	109.9	S1208	S1208-D1210 PolarHBondContact O-N 3.46Å; S1208-D1210 PolarHBondContact OG-OD2 2.93Å
1211	L	25.2	Very low	26	Very low	148 Å²	148	136 Å²	136	78%	0.775	73%	0.734	S	S	*	*			trans	-92.6	4.8	174.9	-104.6	159.7	0	0	0	113.3	N1209	N1209-L1211 PolarHBondContact O-N 2.86Å
1212	F	25.6	Very low	26.4	Very low	200 Å²	200	133.2 Å²	133.2	88%	0.877	71%	0.713	S	S	*	*	S	Bend	trans	-142.7	36.8	-176	-73.1	-73.6	0	0	0	115.1
1213	T	24.8	Very low	27	Very low	87 Å²	87	126.7 Å²	126.7	53%	0.534	69%	0.687	S	S	.	*	S	Bend	trans	-120.5	113.1	158.7	45.4	0	0	0	0	108.1	Y1215	T1213-Y1215 PolarHBondContact O-N 3.08Å
1214	P	27.2	Very low	27.7	Very low	123 Å²	123	119.8 Å²	119.8	80%	0.799	65%	0.652	S	S	*	*			trans	-64.1	110	173.6	25.1	-28.6	0	0	0	107.2	N1216	P1214-N1216 PolarHBondContact O-N 3.16Å; P1214-N1216 VanDerWaalsContact O-N 3.12Å
1215	Y	25.7	Very low	28.1	Very low	194 Å²	194	112 Å²	112	76%	0.761	61%	0.611	S	S	*	*			trans	-53.6	118	170.3	-99.8	-99.9	0	0	0	108.1	T1213 D1217	T1213-Y1215 PolarHBondContact O-N 3.08Å; Y1215-D1217 PolarHBondContact O-N 2.81Å
1216	N	26.8	Very low	28.5	Very low	160 Å²	160	109 Å²	109	86%	0.856	59%	0.593	S	S	*	*			trans	-79.4	40.1	-175.2	-131.5	6	0	0	0	110.9	P1214 S1218	P1214-N1216 PolarHBondContact O-N 3.16Å; P1214-N1216 VanDerWaalsContact O-N 3.12Å; N1216-S1218 PolarHBondContact O-N 3.02Å; N1216-S1218 VanDerWaalsContact O-N 3.11Å
1217	D	26.8	Very low	28.9	Very low	126 Å²	126	106.3 Å²	106.3	67%	0.674	56%	0.563	S	S	*	*			trans	-79.6	98.3	174.5	-77.7	-18	0	0	0	108.1	Y1215 I1219	Y1215-D1217 PolarHBondContact O-N 2.81Å; D1217-I1219 PolarHBondContact O-N 3.36Å; D1217-I1219 VanDerWaalsContact O-N 3.07Å
1218	S	28.7	Very low	29.6	Very low	91 Å²	91	101.9 Å²	101.9	64%	0.636	54%	0.541	S	S	*	.			trans	37.3	67.5	148.2	-48.6	0	0	0	0	114	N1216 H1220	N1216-S1218 PolarHBondContact O-N 3.02Å; N1216-S1218 VanDerWaalsContact O-N 3.11Å; S1218-H1220 PolarHBondContact O-N 3.1Å
1219	I	24.8	Very low	29.8	Very low	152 Å²	152	103.7 Å²	103.7	78%	0.779	55%	0.545	S	S	*	.			trans	-61.5	88.2	159	-60	174.7	0	0	0	105.5	D1217 M1221	D1217-I1219 PolarHBondContact O-N 3.36Å; D1217-I1219 VanDerWaalsContact O-N 3.07Å; I1219-M1221 PolarHBondContact O-N 2.64Å
1220	H	26.6	Very low	29.9	Very low	162 Å²	162	103 Å²	103	75%	0.75	53%	0.534	S	S	*	.			trans	-57	100.9	162.7	-83.7	-79.2	0	0	0	104.8	S1218 V1222	S1218-H1220 PolarHBondContact O-N 3.1Å; H1220-V1222 PolarHBondContact O-N 3.27Å
1221	M	31.3	Very low	30.1	Very low	72 Å²	72	104.5 Å²	104.5	36%	0.355	54%	0.538	S	S	.	.			trans	-62.6	89.9	170	-74.1	-166.2	77	0	0	106.6	R1045 I1219 N1223	R1045-M1221 PolarHBondContact NH2-SD 2.65Å; I1219-M1221 PolarHBondContact O-N 2.64Å; M1221-N1223 VanDerWaalsContact O-CG 3.22Å; M1221-N1223 PolarHBondContact O-N 3.18Å; M1221-N1223 PolarHBondContact O-ND2 2.85Å
1222	V	29.4	Very low	30.3	Very low	48 Å²	48	104.3 Å²	104.3	29%	0.291	54%	0.538	S	S	.	.			trans	-42.1	108.6	151.4	165.1	0	0	0	0	104.3	R165 H1220 D1227	R165-V1222 PolarHBondContact NH2-O 2.88Å; H1220-V1222 PolarHBondContact O-N 3.27Å; V1222-D1227 VanDerWaalsContact C-OD2 3.29Å; V1222-D1227 WeakPolarHBondContact CA-OD2 3.31Å; V1222-D1227 HydrophobicContact CB-CB 3.75Å; V1222-D1227 HydrophobicContact CG1-CB 3.09Å; V1222-D1227 HydrophobicContact CG2-CB 3.81Å
1223	N	38.2	Very low	30.3	Very low	55 Å²	55	100.5 Å²	100.5	29%	0.294	53%	0.526	S	S	.	.			trans	-117.5	-1.8	-173.7	-81.2	-43.3	0	0	0	112.2	R1052 M1221 D1227	R1052-N1223 PolarHBondContact NH1-ND2 2.78Å; M1221-N1223 VanDerWaalsContact O-CG 3.22Å; M1221-N1223 PolarHBondContact O-N 3.18Å; M1221-N1223 PolarHBondContact O-ND2 2.85Å; N1223-D1227 PolarHBondContact N-OD2 3.4Å
1224	S	39.9	Very low	30.4	Very low	15 Å²	15	101.6 Å²	101.6	11%	0.105	54%	0.538	C	S	.	.	S	Bend	trans	-128.4	168	-177.8	74.6	0	0	0	0	112.5	R165 S319 V1226 D1227	R165-S1224 PolarHBondContact NH1-O 3.45Å; R165-S1224 PolarHBondContact NH2-O 3.21Å; S319-S1224 WeakPolarHBondContact O-CA 3.25Å; S319-S1224 WeakPolarHBondContact O-CB 3.47Å; S1224-V1226 PolarHBondContact O-N 2.75Å; S1224-V1226 WeakPolarHBondContact OG-CB 3.34Å; S1224-V1226 PolarHBondContact OG-N 2.99Å; S1224-V1226 VanDerWaalsContact OG-N 3.13Å; S1224-D1227 PolarHBondContact N-OD2 3.1Å; S1224-D1227 PolarHBondContact OG-N 3.39Å; S1224-D1227 PolarHBondContact OG-OD2 3.48Å
1225	C	30.4	Very low	30.4	Very low	10 Å²	10	103 Å²	103	7%	0.068	54%	0.537	C	S	.	.	S	Bend	trans	-67.5	-19.1	167.8	-64.2	0	0	0	0	112.1
1226	V	36	Very low	30.3	Very low	41 Å²	41	101 Å²	101	25%	0.248	54%	0.538	C	S	.	.	G	3₁₀ helix	trans	-71.2	-33	-177.9	-178.5	0	0	0	0	111.7	I318 S1224 L1228 N1229	I318-V1226 HydrophobicContact CG2-CG2 4.38Å; S1224-V1226 PolarHBondContact O-N 2.75Å; S1224-V1226 WeakPolarHBondContact OG-CB 3.34Å; S1224-V1226 PolarHBondContact OG-N 2.99Å; S1224-V1226 VanDerWaalsContact OG-N 3.13Å; V1226-L1228 PolarHBondContact O-N 3Å; V1226-N1229 PolarHBondContact O-N 2.87Å
1227	D	36	Very low	30	Very low	48 Å²	48	101.6 Å²	101.6	26%	0.257	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-67	-19.8	-177.9	-58.5	-41.7	0	0	0	113.1	V1222 N1223 S1224 N1229 F1230	V1222-D1227 VanDerWaalsContact C-OD2 3.29Å; V1222-D1227 WeakPolarHBondContact CA-OD2 3.31Å; V1222-D1227 HydrophobicContact CB-CB 3.75Å; V1222-D1227 HydrophobicContact CG1-CB 3.09Å; V1222-D1227 HydrophobicContact CG2-CB 3.81Å; N1223-D1227 PolarHBondContact N-OD2 3.4Å; S1224-D1227 PolarHBondContact N-OD2 3.1Å; S1224-D1227 PolarHBondContact OG-N 3.39Å; S1224-D1227 PolarHBondContact OG-OD2 3.48Å; D1227-N1229 VanDerWaalsContact C-N 3.3Å; D1227-N1229 PolarHBondContact O-N 3.28Å; D1227-F1230 PolarHBondContact O-N 3.25Å
1228	L	37.2	Very low	29.9	Very low	63 Å²	63	103.7 Å²	103.7	33%	0.33	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-69.6	-25.4	176.6	-71.2	170.2	0	0	0	112.8	V1226 F1230	V1226-L1228 PolarHBondContact O-N 3Å; L1228-F1230 PolarHBondContact O-N 3.18Å
1229	N	32.6	Very low	29.8	Very low	121 Å²	121	107.1 Å²	107.1	65%	0.647	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-70.4	-10.3	178.8	-83.7	-16.8	0	0	0	113.5	V1226 D1227	V1226-N1229 PolarHBondContact O-N 2.87Å; D1227-N1229 VanDerWaalsContact C-N 3.3Å; D1227-N1229 PolarHBondContact O-N 3.28Å
1230	F	29.3	Very low	29.7	Very low	137 Å²	137	107 Å²	107	60%	0.601	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-106.9	-5.8	-177.1	-74.4	-76.6	0	0	0	114.8	D1227 L1228	D1227-F1230 PolarHBondContact O-N 3.25Å; L1228-F1230 PolarHBondContact O-N 3.18Å
1231	Q	29.3	Very low	29.7	Very low	141 Å²	141	106.3 Å²	106.3	66%	0.659	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-13.4	177.4	-76.8	-162.9	-27.5	0	0	115.2
1232	D	28.9	Very low	29.4	Very low	145 Å²	145	110.8 Å²	110.8	78%	0.775	58%	0.581	S	S	*	*	S	Bend	trans	-116.6	48.3	-178.1	-78.2	-28	0	0	0	114.7
1233	N	26	Very low	29.2	Very low	119 Å²	119	118 Å²	118	64%	0.636	61%	0.609	S	S	*	*			trans	-126.8	26.2	169.8	-88.3	-37.3	0	0	0	114.6	I1235	N1233-I1235 PolarHBondContact O-N 3.33Å
1234	S	27.7	Very low	28.7	Very low	110 Å²	110	123.6 Å²	123.6	77%	0.769	64%	0.639	S	S	*	*	S	Bend	trans	-79.8	6	172	58.1	0	0	0	0	114.6
1235	I	27.2	Very low	27.9	Very low	153 Å²	153	133.6 Å²	133.6	79%	0.785	67%	0.674	S	S	*	*	S	Bend	trans	-121.1	-3	-176	-59.3	-177.6	0	0	0	115.4	N1233	N1233-I1235 PolarHBondContact O-N 3.33Å
1236	L	22.9	Very low	27.6	Very low	151 Å²	151	140.8 Å²	140.8	79%	0.791	71%	0.71	S	S	*	*			trans	-110.5	87.4	175.3	-72.4	169.5	0	0	0	112.5
1237	Q	21.9	Very low	27.1	Very low	174 Å²	174	142.6 Å²	142.6	81%	0.813	73%	0.725	S	S	*	*			trans	-63.9	143.8	156.2	-67.7	-176.8	-1	0	0	110
1238	Q	23.4	Very low	26.8	Very low	169 Å²	169	142.2 Å²	142.2	79%	0.79	73%	0.726	S	S	*	*			trans	76.5	98.4	166.9	-57.7	-178.8	-11.5	0	0	117
1239	D	25.9	Very low	26.5	Very low	163 Å²	163	142.5 Å²	142.5	87%	0.872	73%	0.73	S	S	*	*				-174.2	136.2	95.8	-102.9	-27	0	0	0	112.7
1240	N	24.5	Very low	26.5	Very low	149 Å²	149	142.6 Å²	142.6	80%	0.797	73%	0.73	S	S	*	*			trans	-70.8	151.6	175.5	-85	-42.7	0	0	0	111.6
1241	N	24.9	Very low	26.4	Very low	148 Å²	148	142.1 Å²	142.1	79%	0.791	73%	0.733	S	S	*	*			trans	89.9	86.1	169.4	-58.3	-30.7	0	0	0	117.2
1242	N	26.3	Very low	26.5	Very low	167 Å²	167	142.2 Å²	142.2	89%	0.893	74%	0.737	S	S	*	*			trans	-161.1	90.7	134.7	-97.8	-27.6	0	0	0	111	N1244	N1242-N1244 PolarHBondContact O-N 3.32Å
1243	K	25.5	Very low	26.6	Very low	200 Å²	200	139.8 Å²	139.8	87%	0.87	72%	0.723	S	S	*	*			trans	-69.2	104.8	164.5	-68.1	178.1	177.2	179.2	0	107.9
1244	N	25.9	Very low	26.6	Very low	171 Å²	171	137.9 Å²	137.9	91%	0.914	73%	0.732	S	S	*	*			trans	166.4	35.7	152.1	-85.3	-11.7	0	0	0	114.1	N1242	N1242-N1244 PolarHBondContact O-N 3.32Å
1245	R	24.4	Very low	26.5	Very low	225 Å²	225	137.7 Å²	137.7	85%	0.849	72%	0.722	S	S	*	*			trans	-119.4	116.4	168	-138.7	173.8	-176.5	167.3	-1	108.7	S1247	R1245-S1247 VanDerWaalsContact C-N 3.32Å; R1245-S1247 PolarHBondContact O-N 3.43Å
1246	I	23.7	Very low	26.4	Very low	161 Å²	161	138.1 Å²	138.1	83%	0.826	73%	0.726	S	S	*	*			trans	-62.9	98.6	170.7	-61.3	168.8	0	0	0	105.6
1247	S	25.4	Very low	26.6	Very low	80 Å²	80	139.1 Å²	139.1	56%	0.559	72%	0.724	S	S	*	*			trans	-117.2	78.4	-176.6	-74.8	0	0	0	0	108.5	R1245	R1245-S1247 VanDerWaalsContact C-N 3.32Å; R1245-S1247 PolarHBondContact O-N 3.43Å
1248	S	29.6	Very low	26.8	Very low	40 Å²	40	138.6 Å²	138.6	28%	0.28	72%	0.721	S	S	.	*			trans	170.6	144.8	138	66	0	0	0	0	110.2	I1250 D1251	S1248-I1250 PolarHBondContact O-N 2.89Å; S1248-I1250 VanDerWaalsContact O-N 3.17Å; S1248-D1251 PolarHBondContact O-N 2.91Å
1249	T	31	Very low	26.9	Very low	68 Å²	68	137.9 Å²	137.9	42%	0.417	72%	0.723	S	S	.	*	G	3₁₀ helix	trans	-62	-13.3	170.1	-47.2	0	0	0	0	112.3	D1251 L1252 I1253	T1249-D1251 VanDerWaalsContact C-N 3.33Å; T1249-D1251 PolarHBondContact O-N 2.97Å; T1249-L1252 PolarHBondContact O-N 3.31Å; T1249-I1253 HydrophobicContact CG2-CD1 4.29Å
1250	I	31.6	Very low	26.7	Very low	124 Å²	124	136.5 Å²	136.5	64%	0.636	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-66	-35.9	179.2	-58.6	173.8	0	0	0	110.4	S1248 L1252 I1253	S1248-I1250 PolarHBondContact O-N 2.89Å; S1248-I1250 VanDerWaalsContact O-N 3.17Å; I1250-L1252 PolarHBondContact O-N 3.19Å; I1250-I1253 CarbonylContact O-C 3.53Å; I1250-I1253 PolarHBondContact O-N 2.68Å; I1250-I1253 VanDerWaalsContact O-N 3.11Å
1251	D	29	Very low	26.7	Very low	127 Å²	127	134.6 Å²	134.6	68%	0.679	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-70.8	-18.6	178.4	-69.7	-23.2	0	0	0	113.7	S1248 T1249	S1248-D1251 PolarHBondContact O-N 2.91Å; T1249-D1251 VanDerWaalsContact C-N 3.33Å; T1249-D1251 PolarHBondContact O-N 2.97Å
1252	L	30.1	Very low	26.6	Very low	142 Å²	142	134.2 Å²	134.2	74%	0.743	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-85.1	-15.7	174.3	-89.9	157.1	0	0	0	112.7	T1249 I1250	T1249-L1252 PolarHBondContact O-N 3.31Å; I1250-L1252 PolarHBondContact O-N 3.19Å
1253	I	32.2	Very low	26.4	Very low	94 Å²	94	132.6 Å²	132.6	48%	0.482	71%	0.707	S	S	.	*	S	Bend	trans	-115.8	88.2	-179.9	-54.9	173.7	0	0	0	106	T1249 I1250 L1255	T1249-I1253 HydrophobicContact CG2-CD1 4.29Å; I1250-I1253 CarbonylContact O-C 3.53Å; I1250-I1253 PolarHBondContact O-N 2.68Å; I1250-I1253 VanDerWaalsContact O-N 3.11Å; I1253-L1255 HydrophobicContact CG2-CB 4.45Å; I1253-L1255 HydrophobicContact CG2-CD1 3.72Å; I1253-L1255 HydrophobicContact CG2-CG 3.95Å; I1253-L1255 PolarHBondContact O-N 2.73Å
1254	G	25.4	Very low	26.3	Very low	79 Å²	79	130.8 Å²	130.8	81%	0.814	71%	0.707	S	S	*	*			trans	-62.8	71.2	179.2	0	0	0	0	0	113.5
1255	L	26.4	Very low	26	Very low	107 Å²	107	128.9 Å²	128.9	56%	0.56	70%	0.697	S	S	*	*			trans	-123.4	81.2	173.4	-70.3	175.6	0	0	0	107.4	I1253 F1257	I1253-L1255 HydrophobicContact CG2-CB 4.45Å; I1253-L1255 HydrophobicContact CG2-CD1 3.72Å; I1253-L1255 HydrophobicContact CG2-CG 3.95Å; I1253-L1255 PolarHBondContact O-N 2.73Å; L1255-F1257 HydrophobicContact CB-CD2 4.19Å; L1255-F1257 HydrophobicContact CB-CE2 3.91Å; L1255-F1257 HydrophobicContact CD1-CE2 4.2Å; L1255-F1257 PolarHBondContact O-N 3.21Å; L1255-F1257 VanDerWaalsContact O-N 3.11Å
1256	D	24.3	Very low	26	Very low	162 Å²	162	125.3 Å²	125.3	87%	0.866	70%	0.695	S	S	*	*			trans	-66.7	103.4	160.7	-71.1	-37.5	0	0	0	107.7	E1258	D1256-E1258 PolarHBondContact O-N 2.67Å
1257	F	27.8	Very low	25.9	Very low	171 Å²	171	123.9 Å²	123.9	75%	0.75	69%	0.694	S	S	*	*			trans	-85.5	92.5	163.7	-76.3	-84.1	0	0	0	107.8	L1255 N1259	L1255-F1257 HydrophobicContact CB-CD2 4.19Å; L1255-F1257 HydrophobicContact CB-CE2 3.91Å; L1255-F1257 HydrophobicContact CD1-CE2 4.2Å; L1255-F1257 PolarHBondContact O-N 3.21Å; L1255-F1257 VanDerWaalsContact O-N 3.11Å; F1257-N1259 PolarHBondContact O-N 2.81Å
1258	E	25.1	Very low	25.8	Very low	163 Å²	163	125.8 Å²	125.8	76%	0.762	70%	0.702	S	S	*	*			trans	-66.8	98.6	163.8	-76.7	-167.4	165.4	0	0	109	D1256 N1260	D1256-E1258 PolarHBondContact O-N 2.67Å; E1258-N1260 PolarHBondContact O-N 3.49Å
1259	N	24.8	Very low	25.3	Very low	154 Å²	154	129.3 Å²	129.3	82%	0.824	73%	0.727	S	S	*	*			trans	-67.5	81.5	165.3	-84.4	-16.7	0	0	0	109.5	F1257	F1257-N1259 PolarHBondContact O-N 2.81Å
1260	N	21.9	Very low	25	Very low	135 Å²	135	131.4 Å²	131.4	72%	0.722	74%	0.744	S	S	*	*			trans	-110.2	84.1	167.8	-86.6	-28.7	0	0	0	109.8	E1258	E1258-N1260 PolarHBondContact O-N 3.49Å
1261	S	24.5	Very low	24.5	Very low	108 Å²	108	130.7 Å²	130.7	76%	0.755	75%	0.75	S	S	*	*			trans	-152.5	77.8	155.5	64.3	0	0	0	0	110.4	I1263	S1261-I1263 PolarHBondContact O-N 2.99Å
1262	T	23.2	Very low	24.3	Very low	140 Å²	140	131.3 Å²	131.3	86%	0.859	76%	0.759	S	S	*	*			trans	-59	117.7	155.1	13.6	0	0	0	0	108.9	N1264	T1262-N1264 PolarHBondContact O-N 3.17Å
1263	I	22.5	Very low	23.8	Very low	133 Å²	133	132 Å²	132	68%	0.682	76%	0.758	S	S	*	*			trans	-56.1	114.4	171	-65.9	161	0	0	0	108.9	S1261	S1261-I1263 PolarHBondContact O-N 2.99Å
1264	N	23.2	Very low	23.3	Very low	162 Å²	162	137.4 Å²	137.4	87%	0.866	77%	0.772	S	S	*	*			trans	-103.8	97.3	152.3	-90.9	-9.6	0	0	0	107.3	T1262	T1262-N1264 PolarHBondContact O-N 3.17Å
1265	N	21	Very low	23.4	Very low	132 Å²	132	142.2 Å²	142.2	71%	0.706	77%	0.771	S	S	*	*			trans	-64.7	120.6	154.4	-73.8	-29.8	0	0	0	107.2
1266	D	22.5	Very low	23.2	Very low	150 Å²	150	145.2 Å²	145.2	80%	0.802	79%	0.787	S	S	*	*			trans	177.8	115.6	141.4	-91.7	-21.4	0	0	0	109.6
1267	T	23.2	Very low	23.3	Very low	131 Å²	131	142.2 Å²	142.2	80%	0.804	78%	0.779	S	S	*	*			trans	143	89.7	134.6	45.4	0	0	0	0	113.7
1268	T	22	Very low	23.2	Very low	120 Å²	120	140.3 Å²	140.3	74%	0.736	78%	0.782	S	S	*	*				18.5	121.3	123.4	55.6	0	0	0	0	119.3
1269	S	20.7	Very low	23.3	Very low	114 Å²	114	140 Å²	140	80%	0.797	78%	0.783	S	S	*	*			trans	52.7	113.8	133	68.5	0	0	0	0	119.6
1270	S	23.6	Very low	23.3	Very low	111 Å²	111	137.8 Å²	137.8	78%	0.776	78%	0.775	S	S	*	*				-153	118.5	127.2	55.3	0	0	0	0	110.7
1271	S	20.6	Very low	23.5	Very low	110 Å²	110	136.2 Å²	136.2	77%	0.769	77%	0.773	S	S	*	*			trans	-66.9	125.4	163.3	50.5	0	0	0	0	109.5
1272	T	25.7	Very low	23.6	Very low	139 Å²	139	136.6 Å²	136.6	85%	0.853	77%	0.772	S	S	*	*			trans	-120	101.4	162.5	-21.6	0	0	0	0	108.9
1273	H	20.1	Very low	23.8	Very low	156 Å²	156	135.9 Å²	135.9	72%	0.722	77%	0.77	S	S	*	*			trans	-69.7	149	169.4	-114.6	-70.6	0	0	0	109.3
1274	W	21	Very low	24	Very low	209 Å²	209	137.1 Å²	137.1	79%	0.792	78%	0.777	S	S	*	*			trans	109.8	111.6	159.2	-56.3	14.3	0	0	0	114.9
1275	F	27.1	Very low	24	Very low	180 Å²	180	135.6 Å²	135.6	79%	0.789	78%	0.776	S	S	*	*				-164.7	121.2	76.7	-93.9	-80.4	0	0	0	110.3	S1277	F1275-S1277 PolarHBondContact O-N 3.39Å
1276	D	22.9	Very low	24.2	Very low	169 Å²	169	138.1 Å²	138.1	90%	0.904	78%	0.784	S	S	*	*			trans	-61.4	116.2	158	-77.6	-43.4	0	0	0	108.3
1277	S	27.3	Very low	24.2	Very low	99 Å²	99	142.2 Å²	142.2	69%	0.692	79%	0.788	S	S	*	*			trans	-116.9	113.9	162.4	44.1	0	0	0	0	107.9	F1275 I1279	F1275-S1277 PolarHBondContact O-N 3.39Å; S1277-I1279 PolarHBondContact O-N 3.29Å
1278	V	24.6	Very low	24.4	Very low	132 Å²	132	141.7 Å²	141.7	80%	0.8	79%	0.787	S	S	*	*			trans	-56.4	105.1	172.3	176.7	0	0	0	0	107.9	V1280	V1278-V1280 VanDerWaalsContact C-N 3.3Å; V1278-V1280 HydrophobicContact CG1-CG2 3.94Å; V1278-V1280 PolarHBondContact O-N 2.7Å
1279	I	26.9	Very low	24.6	Very low	155 Å²	155	144.7 Å²	144.7	80%	0.795	79%	0.792	S	S	*	*			trans	-75	91.5	169.1	-62.6	171.3	0	0	0	106.3	S1277	S1277-I1279 PolarHBondContact O-N 3.29Å
1280	V	25.9	Very low	24.8	Very low	108 Å²	108	147.4 Å²	147.4	66%	0.655	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-66.6	127	164.3	178.9	0	0	0	0	107	V1278	V1278-V1280 VanDerWaalsContact C-N 3.3Å; V1278-V1280 HydrophobicContact CG1-CG2 3.94Å; V1278-V1280 PolarHBondContact O-N 2.7Å
1281	P	25.6	Very low	25	Very low	103 Å²	103	148.8 Å²	148.8	67%	0.669	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-59.4	137.9	177.7	22.2	-30.9	0	0	0	110
1282	P	27.2	Very low	25.2	Very low	116 Å²	116	154.9 Å²	154.9	75%	0.753	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-61.2	142.1	178.6	25.4	-32.2	0	0	0	110
1283	P	26.9	Very low	25.1	Very low	125 Å²	125	153.9 Å²	153.9	81%	0.812	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-63.5	146.4	-177.8	23.9	-31.4	0	0	0	111.9
1284	L	26.8	Very low	25.4	Very low	159 Å²	159	151.2 Å²	151.2	83%	0.832	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-48.8	136.5	177.6	-78.1	152.6	0	0	0	111.4	Q1286	L1284-Q1286 PolarHBondContact O-N 3.37Å; L1284-Q1286 VanDerWaalsContact O-N 3.08Å
1285	P	23.4	Very low	25.9	Very low	129 Å²	129	150.1 Å²	150.1	84%	0.838	81%	0.808	S	S	*	*			trans	-57.5	115.3	180	-20.3	30.3	0	0	0	111.2
1286	Q	24	Very low	25.7	Very low	186 Å²	186	149.6 Å²	149.6	87%	0.869	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-81	135.5	169.4	-73.7	-173	-7	0	0	109.8	L1284	L1284-Q1286 PolarHBondContact O-N 3.37Å; L1284-Q1286 VanDerWaalsContact O-N 3.08Å
1287	R	23.4	Very low	25.9	Very low	236 Å²	236	146.6 Å²	146.6	89%	0.891	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-59.7	125.8	-177.1	-161.2	179.8	-147.7	166.6	5.1	110.2	E1289	R1287-E1289 PolarHBondContact O-N 3.28Å
1288	P	26.3	Very low	25.8	Very low	119 Å²	119	147.8 Å²	147.8	77%	0.773	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-65.8	130.1	178.7	-16.7	29.3	0	0	0	111
1289	E	26	Very low	25.9	Very low	184 Å²	184	149.2 Å²	149.2	86%	0.86	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-74	141.6	169	-73.4	-168.3	159.3	0	0	111.1	R1287 V1291	R1287-E1289 PolarHBondContact O-N 3.28Å; E1289-V1291 PolarHBondContact O-N 3.46Å
1290	D	25.7	Very low	26.1	Very low	170 Å²	170	148.1 Å²	148.1	91%	0.909	81%	0.807	S	S	*	*			trans	-61.8	112.5	-176	-68.8	-52.7	0	0	0	112.8
1291	V	28.2	Very low	26.4	Very low	141 Å²	141	148.3 Å²	148.3	86%	0.855	81%	0.811	S	S	*	*			trans	-116.9	123.3	163.5	-177.3	0	0	0	0	110.1	E1289	E1289-V1291 PolarHBondContact O-N 3.46Å
1292	R	24.1	Very low	26.7	Very low	237 Å²	237	152.4 Å²	152.4	89%	0.894	82%	0.819	S	S	*	*			trans	-61.4	145.9	-173	-74.2	174.6	171.8	174.6	-3.1	114.4
1293	S	24	Very low	26.6	Very low	118 Å²	118	152.2 Å²	152.2	83%	0.825	82%	0.815	S	S	*	*			trans	-52.4	138.2	170.2	54.8	0	0	0	0	116.3
1294	S	26.9	Very low	26.6	Very low	101 Å²	101	154.8 Å²	154.8	71%	0.706	82%	0.821	S	S	*	*			trans	-157.3	122.8	150.3	54.8	0	0	0	0	113.9
1295	H	29.9	Very low	26.5	Very low	185 Å²	185	152.9 Å²	152.9	86%	0.856	82%	0.816	S	S	*	*			trans	75.1	100.4	148.8	-58.7	-57.4	0	0	0	124.3
1296	L	22.8	Very low	26.5	Very low	169 Å²	169	157.7 Å²	157.7	89%	0.885	82%	0.819	S	S	*	*			trans	-4.6	137.4	136.1	-99.1	77.1	0	0	0	121.2
1297	S	27.3	Very low	26.6	Very low	106 Å²	106	154 Å²	154	74%	0.741	81%	0.814	S	S	*	*				180	114.1	124.6	46.9	0	0	0	0	110.8
1298	T	26	Very low	26.6	Very low	125 Å²	125	148.2 Å²	148.2	77%	0.767	81%	0.81	S	S	*	*				106.7	117.1	98.2	47.5	0	0	0	0	115
1299	D	26.9	Very low	26.5	Very low	161 Å²	161	151.6 Å²	151.6	86%	0.861	82%	0.815	S	S	*	*			trans	59.5	100.1	146.9	-57.6	-20.3	0	0	0	123.4
1300	D	30	Very low	26.6	Very low	132 Å²	132	148.1 Å²	148.1	71%	0.706	81%	0.811	S	S	*	*			trans	-152.8	130.3	142.8	-156.5	-3.1	0	0	0	110.4	F1302	D1300-F1302 VanDerWaalsContact C-N 3.3Å; D1300-F1302 PolarHBondContact O-N 2.96Å
1301	P	34.1	Very low	26.4	Very low	112 Å²	112	147.9 Å²	147.9	73%	0.727	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	15.9	-166.3	-13.7	29.9	0	0	0	117.6
1302	F	31.1	Very low	26.3	Very low	189 Å²	189	146.6 Å²	146.6	83%	0.829	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.1	15.5	-171.5	-73.2	-74.6	0	0	0	116.6	D1300	D1300-F1302 VanDerWaalsContact C-N 3.3Å; D1300-F1302 PolarHBondContact O-N 2.96Å
1303	T	25.4	Very low	26.1	Very low	112 Å²	112	140.8 Å²	140.8	69%	0.687	80%	0.803	S	S	*	*			trans	-118.4	96.5	179	-39.3	0	0	0	0	111.5	V1305	T1303-V1305 HydrophobicContact CG2-CG2 3.84Å
1304	L	26.1	Very low	26.2	Very low	179 Å²	179	141.7 Å²	141.7	94%	0.937	80%	0.804	S	S	*	*			trans	-99.5	97.8	166.7	-96	153.2	0	0	0	108.2
1305	V	25.4	Very low	25.9	Very low	120 Å²	120	142.8 Å²	142.8	73%	0.727	81%	0.806	S	S	*	*			trans	-85.2	126.7	173.8	179.6	0	0	0	0	109.1	T1303	T1303-V1305 HydrophobicContact CG2-CG2 3.84Å
1306	Y	23.7	Very low	25.5	Very low	230 Å²	230	141.5 Å²	141.5	90%	0.902	80%	0.803	S	S	*	*			trans	-68	121.5	168.3	-95.9	-96.4	0	0	0	110.2
1307	S	24.7	Very low	25.4	Very low	108 Å²	108	139.6 Å²	139.6	76%	0.755	79%	0.793	S	S	*	*			trans	-103.6	109.9	158.5	49.5	0	0	0	0	109.1	Q1309	S1307-Q1309 PolarHBondContact O-N 3.25Å
1308	S	24.2	Very low	25.2	Very low	115 Å²	115	142.8 Å²	142.8	80%	0.804	80%	0.796	S	S	*	*			trans	-69.2	112.1	167	51	0	0	0	0	109.3
1309	Q	24.8	Very low	25.1	Very low	190 Å²	190	144.8 Å²	144.8	89%	0.888	80%	0.802	S	S	*	*			trans	-96.1	107.4	161.9	-81.3	-171.8	-13.3	0	0	108.5	S1307	S1307-Q1309 PolarHBondContact O-N 3.25Å
1310	S	26.7	Very low	24.9	Very low	111 Å²	111	145.7 Å²	145.7	78%	0.776	80%	0.798	S	S	*	*			trans	-70.9	139.2	169.9	49.9	0	0	0	0	111.2
1311	D	22.6	Very low	24.6	Very low	165 Å²	165	146.9 Å²	146.9	88%	0.882	81%	0.805	S	S	*	*			trans	-46.8	133.6	169.7	-63.3	-56.4	0	0	0	113.1
1312	S	26.2	Very low	24.3	Very low	113 Å²	113	146.5 Å²	146.5	79%	0.79	81%	0.811	S	S	*	*			trans	-125.6	115	155	53.9	0	0	0	0	109.8
1313	S	20.4	Very low	24.1	Very low	116 Å²	116	141.8 Å²	141.8	81%	0.811	81%	0.807	S	S	*	*			trans	-60.1	129.7	169.4	52.1	0	0	0	0	111.7
1314	T	25	Very low	24	Very low	136 Å²	136	143.9 Å²	143.9	83%	0.834	81%	0.813	S	S	*	*			trans	-138	125	147.6	-28.8	0	0	0	0	110.3
1315	T	20.6	Very low	23.9	Very low	124 Å²	124	142.7 Å²	142.7	76%	0.761	81%	0.806	S	S	*	*			trans	-65.1	146.7	172.5	37.1	0	0	0	0	112.7
1316	M	21.4	Very low	23.9	Very low	159 Å²	159	143.7 Å²	143.7	78%	0.783	81%	0.808	S	S	*	*				159.7	121.2	127.5	-85	-84.7	-169.9	0	0	113.1
1317	N	21.9	Very low	24	Very low	128 Å²	128	138.9 Å²	138.9	68%	0.684	80%	0.802	S	S	*	*			trans	56.6	118.1	137.5	-68	-14.1	0	0	0	123.1
1318	H	21.6	Very low	24	Very low	174 Å²	174	140.1 Å²	140.1	81%	0.806	80%	0.8	S	S	*	*				28.7	110.8	127.9	-70.4	-66.7	0	0	0	118.5
1319	D	24.7	Very low	24.1	Very low	167 Å²	167	140.1 Å²	140.1	89%	0.893	80%	0.797	S	S	*	*				-156.9	153.6	119.3	-109.8	-28.4	0	0	0	113
1320	K	21.6	Very low	24.2	Very low	179 Å²	179	139.1 Å²	139.1	78%	0.778	80%	0.796	S	S	*	*			trans	-77.8	164.9	-173.4	-69.5	170.4	171.8	174.4	0	112.5
1321	D	24.3	Very low	24.2	Very low	157 Å²	157	138 Å²	138	84%	0.84	79%	0.788	S	S	*	*			trans	81.6	97.4	158.8	-55.6	-29.2	0	0	0	118.4
1322	A	28.8	Very low	24.4	Very low	104 Å²	104	136.5 Å²	136.5	86%	0.86	79%	0.788	S	S	*	*				179.4	119.5	122.5	0	0	0	0	0	112.7
1323	A	26.3	Very low	24.4	Very low	91 Å²	91	136.2 Å²	136.2	75%	0.752	78%	0.782	S	S	*	*			trans	-5.2	122.7	160.3	0	0	0	0	0	121.3
1324	L	22.8	Very low	24.7	Very low	156 Å²	156	142.9 Å²	142.9	82%	0.817	79%	0.789	S	S	*	*				36	95.9	121.4	-70.6	159.9	0	0	0	118.5
1325	I	25.2	Very low	24.9	Very low	154 Å²	154	141.6 Å²	141.6	79%	0.79	78%	0.78	S	S	*	*			trans	-132.5	100.4	139	-59.9	-178.4	0	0	0	107.4	V1327	I1325-V1327 HydrophobicContact CG2-CG2 4.14Å; I1325-V1327 PolarHBondContact O-N 3.04Å
1326	N	24.6	Very low	25.2	Very low	141 Å²	141	139.4 Å²	139.4	75%	0.754	78%	0.775	S	S	*	*			trans	-66	111.9	167	-91.9	-14.4	0	0	0	108.6
1327	V	24.6	Very low	25.5	Very low	128 Å²	128	137.6 Å²	137.6	78%	0.776	78%	0.775	S	S	*	*			trans	-105.1	102.3	159.7	-178.3	0	0	0	0	106.3	I1325	I1325-V1327 HydrophobicContact CG2-CG2 4.14Å; I1325-V1327 PolarHBondContact O-N 3.04Å
1328	D	26.5	Very low	25.6	Very low	134 Å²	134	140 Å²	140	72%	0.717	78%	0.782	S	S	*	*			trans	-61.6	141.5	172.6	-82.9	-38.5	0	0	0	110.6
1329	P	26.6	Very low	25.9	Very low	116 Å²	116	138 Å²	138	75%	0.753	78%	0.782	S	S	*	*			trans	-70.8	132.8	-176.7	27.2	-32.3	0	0	0	111.9	S1331	P1329-S1331 PolarHBondContact O-N 3.44Å
1330	I	26	Very low	26	Very low	168 Å²	168	135.4 Å²	135.4	86%	0.862	78%	0.775	S	S	*	*			trans	-61.4	105.4	173.9	-63.8	167.8	0	0	0	108.8
1331	S	26.5	Very low	26.4	Very low	88 Å²	88	132 Å²	132	62%	0.615	77%	0.774	S	S	*	*			trans	-78	132.3	166.7	47.4	0	0	0	0	110.1	P1329 T1333	P1329-S1331 PolarHBondContact O-N 3.44Å; S1331-T1333 VanDerWaalsContact C-N 3.34Å; S1331-T1333 PolarHBondContact O-N 3.27Å
1332	P	26.6	Very low	26.8	Very low	134 Å²	134	136.3 Å²	136.3	87%	0.87	78%	0.778	S	S	*	*			trans	-82.7	79.7	-177.9	33.4	-32.5	0	0	0	109.9
1333	T	25.9	Very low	26.7	Very low	107 Å²	107	139.8 Å²	139.8	66%	0.656	78%	0.776	S	S	*	*			trans	-109	78.3	167.2	-25.2	0	0	0	0	108.7	S1331 V1335	S1331-T1333 VanDerWaalsContact C-N 3.34Å; S1331-T1333 PolarHBondContact O-N 3.27Å; T1333-V1335 HydrophobicContact CG2-CG2 4.17Å; T1333-V1335 PolarHBondContact O-N 2.92Å
1334	R	28	Very low	26.9	Very low	255 Å²	255	144.5 Å²	144.5	96%	0.962	78%	0.78	S	S	*	*			trans	-72.4	84.5	162.9	-114	-176.2	-179.3	177.4	1.6	107.4	A1336	R1334-A1336 PolarHBondContact O-N 3.25Å; R1334-A1336 VanDerWaalsContact O-N 3.14Å
1335	V	27.4	Very low	27.2	Very low	109 Å²	109	142.5 Å²	142.5	66%	0.661	78%	0.776	S	S	*	*			trans	-57.1	113.3	165.1	174.9	0	0	0	0	107.1	T1333	T1333-V1335 HydrophobicContact CG2-CG2 4.17Å; T1333-V1335 PolarHBondContact O-N 2.92Å
1336	A	27.7	Very low	27.5	Very low	78 Å²	78	140.6 Å²	140.6	65%	0.645	77%	0.774	S	S	*	*			trans	-52.9	137.2	167.5	0	0	0	0	0	108.6	R1334 Q1338	R1334-A1336 PolarHBondContact O-N 3.25Å; R1334-A1336 VanDerWaalsContact O-N 3.14Å; A1336-Q1338 PolarHBondContact O-N 3.3Å
1337	P	27.5	Very low	27.8	Very low	122 Å²	122	139.9 Å²	139.9	79%	0.792	78%	0.777	S	S	*	*			trans	-57.8	120.8	-175.8	22.1	-30.7	0	0	0	109.2	T1339	P1337-T1339 PolarHBondContact O-N 3.36Å
1338	Q	25	Very low	28.2	Very low	177 Å²	177	141.5 Å²	141.5	83%	0.827	78%	0.78	S	S	*	*			trans	-52	112.1	168.4	-73.8	-176.2	-3.1	0	0	107.3	A1336 P1340	A1336-Q1338 PolarHBondContact O-N 3.3Å; Q1338-P1340 WeakPolarHBondContact O-CD 3.34Å
1339	T	27.6	Very low	28.4	Very low	132 Å²	132	140.2 Å²	140.2	81%	0.81	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-60.5	120.3	171.6	-15.3	0	0	0	0	105.9	P1337 S1341	P1337-T1339 PolarHBondContact O-N 3.36Å; T1339-S1341 PolarHBondContact O-N 3.37Å; T1339-S1341 VanDerWaalsContact O-N 3.16Å
1340	P	27.1	Very low	28.6	Very low	113 Å²	113	140.7 Å²	140.7	73%	0.734	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-57.9	129.4	-178.7	21.2	-30.1	0	0	0	108.1	Q1338 R1342	Q1338-P1340 WeakPolarHBondContact O-CD 3.34Å; P1340-R1342 PolarHBondContact O-N 3.23Å
1341	S	29.3	Very low	29	Very low	108 Å²	108	144.2 Å²	144.2	76%	0.755	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-47.1	116.5	173.4	49.1	0	0	0	0	108	T1339 Q1343	T1339-S1341 PolarHBondContact O-N 3.37Å; T1339-S1341 VanDerWaalsContact O-N 3.16Å; S1341-Q1343 VanDerWaalsContact C-N 3.25Å; S1341-Q1343 PolarHBondContact O-N 3.22Å
1342	R	32.1	Very low	29.2	Very low	248 Å²	248	145.2 Å²	145.2	94%	0.936	79%	0.789	S	S	*	*			trans	-60.3	89.9	179	-122.7	178.7	176.3	-178.8	-0.2	107.7	P1340 K1344	P1340-R1342 PolarHBondContact O-N 3.23Å; R1342-K1344 PolarHBondContact O-N 3.45Å; R1342-K1344 VanDerWaalsContact O-N 3.14Å
1343	Q	27.3	Very low	29.4	Very low	176 Å²	176	148.3 Å²	148.3	82%	0.822	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-58.4	117.9	159.6	-72.9	-173.9	-2.1	0	0	105.5	S1341	S1341-Q1343 VanDerWaalsContact C-N 3.25Å; S1341-Q1343 PolarHBondContact O-N 3.22Å
1344	K	29.6	Very low	29.8	Very low	191 Å²	191	149.7 Å²	149.7	83%	0.83	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-52.2	129.9	169	-86	179.3	175.3	176.4	0	107	R1342	R1342-K1344 PolarHBondContact O-N 3.45Å; R1342-K1344 VanDerWaalsContact O-N 3.14Å
1345	P	30.2	Very low	29.7	Very low	113 Å²	113	145.3 Å²	145.3	73%	0.734	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-57.5	139.9	175.1	23.7	-31.1	0	0	0	108.6
1346	P	31.5	Very low	29.8	Very low	114 Å²	114	146.8 Å²	146.8	74%	0.74	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-58.1	146.8	176.1	24.1	-31.7	0	0	0	109.7	L1348	P1346-L1348 PolarHBondContact O-N 3.4Å
1347	P	30.7	Very low	30.1	Very low	126 Å²	126	156 Å²	156	82%	0.818	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-59.6	129	179.2	24.2	-31.3	0	0	0	109.7
1348	L	32.4	Very low	30.2	Very low	162 Å²	162	157.7 Å²	157.7	85%	0.848	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-54.8	133.9	172.1	-79.7	158.5	0	0	0	109.4	P1346	P1346-L1348 PolarHBondContact O-N 3.4Å
1349	P	30.6	Very low	30.5	Very low	107 Å²	107	156.6 Å²	156.6	70%	0.695	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-61.3	146.7	176.9	24.4	-31.8	0	0	0	110.5	R1351	P1349-R1351 PolarHBondContact O-N 3.42Å
1350	P	31.5	Very low	30.6	Very low	126 Å²	126	158 Å²	158	82%	0.818	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-63.4	122.5	-178	25.2	-31.7	0	0	0	110.1
1351	R	33.6	Very low	30.8	Very low	242 Å²	242	160.6 Å²	160.6	91%	0.913	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-64.6	128.8	173.4	-150.8	178.3	-155.8	-151.8	4.7	108.3	P1349	P1349-R1351 PolarHBondContact O-N 3.42Å
1352	P	30.8	Very low	30.9	Very low	109 Å²	109	163.9 Å²	163.9	71%	0.708	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-63.4	138	-174.5	24	-31.8	0	0	0	110.8	T1354	P1352-T1354 PolarHBondContact O-N 3.28Å; P1352-T1354 VanDerWaalsContact O-N 3.13Å
1353	K	30.9	Very low	30.8	Very low	199 Å²	199	158.3 Å²	158.3	87%	0.865	83%	0.834	S	S	*	*			trans	-64	106.9	169.9	-69.9	-179.9	-177.4	-179.8	0	107.7	E1355	K1353-E1355 PolarHBondContact O-N 3.05Å
1354	T	33.9	Very low	31.1	Very low	137 Å²	137	157.1 Å²	157.1	84%	0.84	84%	0.835	S	S	*	*			trans	-76.8	103.6	160.2	41.6	0	0	0	0	107.3	P1352	P1352-T1354 PolarHBondContact O-N 3.28Å; P1352-T1354 VanDerWaalsContact O-N 3.13Å
1355	E	27.7	Very low	31.2	Very low	163 Å²	163	154.5 Å²	154.5	76%	0.762	84%	0.836	S	S	*	*			trans	-66	146.4	160.5	-69.2	174.9	151.6	0	0	109.7	K1353	K1353-E1355 PolarHBondContact O-N 3.05Å
1356	T	28.9	Very low	31.3	Very low	140 Å²	140	157.9 Å²	157.9	86%	0.859	84%	0.844	S	S	*	*			trans	64.3	130.3	162.1	49.8	0	0	0	0	117
1357	E	32.8	Very low	31.3	Very low	270 Å²	270	161.9 Å²	161.9	100%	1.262	85%	0.853	S	S	*	*			cis	-128.6	0	17	-71.1	177.5	139	0	0	112.5

Retrieved 1,357 of 1,357 residues in 1697.7 ms (Link to these results)

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