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Phosphatidate phosphatase LPIN3

Magnesium-dependent phosphatidate phosphatase enzyme which catalyzes the conversion of phosphatidic acid to diacylglycerol during triglyceride, phosphatidylcholine and phosphatidylethanolamine biosynthesis therefore regulates fatty acid metabolism.

AlphaFold DB , UniProt , Accession Q99PI4, Species MOUSE (Mus musculus, Mouse), Gene Lpin3, Length 848 aa.

						>LPIN3_MOUSE|Q99PI4|Lpin3
MNYVGQLAETVFGTVKELYRGLNPATLSGGIDVLVVRQRDGSFRCSPFHVRFGKLGVLRSREKVVDIEINGEPVDLHMKLGDSGEAFFVQELDSDEEDVPPRLCTSPIPWGGLSGFPSDSQIGTASEPEGLVITGRRKRRRRRKPRRREEDAVDSSSEELEAGAESELTLLEKPTPESPSAQEAEEPSSQPKDIHPYSDGECTPQANLSSGDLMSPKSDSELELRSLEPSPLRAESHMQWVWGRLPKVAKAERPEFSLILESMAEAICALPEEPSPSSSPSEAGVDTLSPPVLHPGVRADTFHPAVEAHCEETAVDSPLAAPESKETKTQNSRGAGHPPATKSWSWTTPESHTPSGHPQVSRGKGSLKRNQHLGPSDIYLDDLPSLDSENVALYFPKSEYGMGARRWSEPSNQKLLESPNPEHIAECTLDSVDKIELSLCGGLADNRDISLEKFTQHMVSYEDLTKNPGLLDDPNLVVKINEKHYNWAVAAPMILSLQAFQKNLPESTVDKLEKEKMPRKGGRWWFSWRRRDFPAEEHSSQREKAATRKQQGEKTEVLSSDDDVPDSPVILEVPPLPSSTPGYVPTYKKSLRLSSDQIRCLNLNEGANDVVFSVTTQYQGTCRCKATIYLWNWDDKVVISDIDGTITKSDALGHILPQLGKDWTHQGITSLYHKIHLNGYKFLYCSARAIGMADLTKGYLQWVSEHGCGLPKGPILLSPSSLFSALHREVIEKKPEVFKVACLSDIQQLFLPQRQPFHAAFGNRPNDVFAYRQVGLPESRIFTVNPRGELIQELIKSHKSTYQRLGEVVELLFPPVVRGPSTDLASPEYSNLSYWRKPLPYVDFEALA
					

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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	49.4	Very low	48.4	Very low	211 Å²	211	110.9 Å²	110.9	100%	1.039	59%	0.588	S	S	*	*				0	-54	0	-78.4	167.2	170.1	0	0	112.3	Y3 V4	M1-Y3 VanDerWaalsContact C-N 3.3Å; M1-Y3 PolarHBondContact O-N 2.97Å; M1-V4 WeakPolarHBondContact O-CB 3.22Å; M1-V4 PolarHBondContact O-N 3.33Å
2	N	52	Low	48.8	Very low	137 Å²	137	114.9 Å²	114.9	73%	0.733	60%	0.597	S	S	*	*	H	α-helix	trans	-48.9	-38	-170.9	-56.1	20.9	0	0	0	116.2	V4 G5 Q6	N2-V4 PolarHBondContact O-N 3.29Å; N2-G5 WeakPolarHBondContact O-CA 3.11Å; N2-G5 PolarHBondContact O-N 3.41Å; N2-Q6 PolarHBondContact O-N 2.57Å
3	Y	43.5	Very low	48.6	Very low	188 Å²	188	108.3 Å²	108.3	74%	0.737	57%	0.574	S	S	*	*	H	α-helix	trans	-55.4	-32.8	174.8	-100.2	-79.4	0	0	0	114.2	M1 L7	M1-Y3 VanDerWaalsContact C-N 3.3Å; M1-Y3 PolarHBondContact O-N 2.97Å; Y3-L7 WeakPolarHBondContact O-CB 3.02Å; Y3-L7 WeakPolarHBondContact O-CG 3.45Å; Y3-L7 PolarHBondContact O-N 3.44Å; Y3-L7 VanDerWaalsContact O-N 3.13Å
4	V	52.2	Low	49	Very low	106 Å²	106	103.2 Å²	103.2	64%	0.642	55%	0.549	S	S	*	.	H	α-helix	trans	-74	-33.8	177	-173.5	0	0	0	0	110.7	M1 N2 A8	M1-V4 WeakPolarHBondContact O-CB 3.22Å; M1-V4 PolarHBondContact O-N 3.33Å; N2-V4 PolarHBondContact O-N 3.29Å; V4-A8 VanDerWaalsContact O-CB 3.31Å; V4-A8 WeakPolarHBondContact O-CB 3.31Å; V4-A8 PolarHBondContact O-N 3.15Å
5	G	43.2	Very low	48.9	Very low	35 Å²	35	98.9 Å²	98.9	36%	0.361	53%	0.528	S	S	.	.	H	α-helix	trans	-63.5	-52.6	173.3	0	0	0	0	0	111.9	N2 L7 A8 E9	N2-G5 WeakPolarHBondContact O-CA 3.11Å; N2-G5 PolarHBondContact O-N 3.41Å; G5-L7 VanDerWaalsContact C-N 3.31Å; G5-L7 PolarHBondContact O-N 3.44Å; G5-A8 WeakPolarHBondContact O-CB 3.4Å; G5-A8 PolarHBondContact O-N 2.91Å; G5-E9 WeakPolarHBondContact O-CG 3.25Å; G5-E9 PolarHBondContact O-N 3.16Å
6	Q	49.3	Very low	48.9	Very low	117 Å²	117	101.8 Å²	101.8	55%	0.547	54%	0.535	S	S	.	.	H	α-helix	trans	-61.6	-37.2	178.4	-72.3	-179.5	-40.8	0	0	112.8	N2 T10	N2-Q6 PolarHBondContact O-N 2.57Å; Q6-T10 VanDerWaalsContact O-CB 3.29Å; Q6-T10 WeakPolarHBondContact O-CB 3.43Å; Q6-T10 PolarHBondContact O-N 2.77Å; Q6-T10 PolarHBondContact O-OG1 3.11Å
7	L	47.4	Very low	49	Very low	110 Å²	110	104.1 Å²	104.1	58%	0.576	54%	0.542	S	S	*	.	H	α-helix	trans	-65.3	-42.9	172.1	-78.6	172.4	0	0	0	112	Y3 G5 T10 V11	Y3-L7 WeakPolarHBondContact O-CB 3.02Å; Y3-L7 WeakPolarHBondContact O-CG 3.45Å; Y3-L7 PolarHBondContact O-N 3.44Å; Y3-L7 VanDerWaalsContact O-N 3.13Å; G5-L7 VanDerWaalsContact C-N 3.31Å; G5-L7 PolarHBondContact O-N 3.44Å; L7-T10 PolarHBondContact O-N 2.95Å; L7-V11 WeakPolarHBondContact O-CB 3.35Å; L7-V11 VanDerWaalsContact O-CG2 3.28Å; L7-V11 WeakPolarHBondContact O-CG2 3Å; L7-V11 PolarHBondContact O-N 3.37Å
8	A	48.4	Very low	48.9	Very low	49 Å²	49	100.9 Å²	100.9	41%	0.405	53%	0.525	S	S	.	.	H	α-helix	trans	-64.3	-44.3	177.2	0	0	0	0	0	112.1	V4 G5 V11 F12	V4-A8 VanDerWaalsContact O-CB 3.31Å; V4-A8 WeakPolarHBondContact O-CB 3.31Å; V4-A8 PolarHBondContact O-N 3.15Å; G5-A8 WeakPolarHBondContact O-CB 3.4Å; G5-A8 PolarHBondContact O-N 2.91Å; A8-V11 PolarHBondContact O-N 2.95Å; A8-F12 WeakPolarHBondContact O-CB 3.2Å; A8-F12 WeakPolarHBondContact O-CD2 3.37Å; A8-F12 PolarHBondContact O-N 3.01Å
9	E	46.9	Very low	48.7	Very low	143 Å²	143	103.4 Å²	103.4	67%	0.668	53%	0.528	S	S	*	.	H	α-helix	trans	-63.5	-44.6	175.8	-72.2	178.7	144.4	0	0	111.8	G5 F12 G13	G5-E9 WeakPolarHBondContact O-CG 3.25Å; G5-E9 PolarHBondContact O-N 3.16Å; E9-F12 PolarHBondContact O-N 3.37Å; E9-G13 PolarHBondContact O-N 2.97Å
10	T	50.8	Low	48.5	Very low	85 Å²	85	108.6 Å²	108.6	52%	0.521	54%	0.541	S	S	.	.	H	α-helix	trans	-61	-48.5	177	-55.4	0	0	0	0	110.7	Q6 L7 G13 T14	Q6-T10 VanDerWaalsContact O-CB 3.29Å; Q6-T10 WeakPolarHBondContact O-CB 3.43Å; Q6-T10 PolarHBondContact O-N 2.77Å; Q6-T10 PolarHBondContact O-OG1 3.11Å; L7-T10 PolarHBondContact O-N 2.95Å; T10-G13 PolarHBondContact O-N 3.23Å; T10-T14 PolarHBondContact O-N 2.67Å; T10-T14 PolarHBondContact O-OG1 2.98Å; T10-T14 VanDerWaalsContact O-OG1 3.12Å
11	V	49.4	Very low	48.1	Very low	39 Å²	39	106.4 Å²	106.4	24%	0.236	55%	0.546	C	S	.	.	H	α-helix	trans	-64.2	-42.7	178	171.1	0	0	0	0	111.3	L7 A8 G13 V15 I655	L7-V11 WeakPolarHBondContact O-CB 3.35Å; L7-V11 VanDerWaalsContact O-CG2 3.28Å; L7-V11 WeakPolarHBondContact O-CG2 3Å; L7-V11 PolarHBondContact O-N 3.37Å; A8-V11 PolarHBondContact O-N 2.95Å; V11-G13 VanDerWaalsContact C-N 3.32Å; V11-G13 PolarHBondContact O-N 3.04Å; V11-V15 HydrophobicContact CG1-CG2 4.18Å; V11-V15 VanDerWaalsContact O-CB 3.27Å; V11-V15 WeakPolarHBondContact O-CB 3.23Å; V11-V15 WeakPolarHBondContact O-CG2 3.45Å; V11-V15 PolarHBondContact O-N 2.8Å; V11-I655 HydrophobicContact CG1-CD1 4.21Å
12	F	52.8	Low	48.1	Very low	159 Å²	159	99 Å²	99	70%	0.697	51%	0.51	S	S	*	.	H	α-helix	trans	-63.3	-37.3	174.6	-101.9	-86.1	0	0	0	112.6	A8 E9 K16	A8-F12 WeakPolarHBondContact O-CB 3.2Å; A8-F12 WeakPolarHBondContact O-CD2 3.37Å; A8-F12 PolarHBondContact O-N 3.01Å; E9-F12 PolarHBondContact O-N 3.37Å; F12-K16 WeakPolarHBondContact O-CB 3.48Å; F12-K16 PolarHBondContact O-N 2.7Å
13	G	46.1	Very low	47.7	Very low	29 Å²	29	95.4 Å²	95.4	30%	0.299	49%	0.491	S	S	.	.	H	α-helix	trans	-60	-60.2	173.4	0	0	0	0	0	111.4	E9 T10 V11 V15 K16 E17	E9-G13 PolarHBondContact O-N 2.97Å; T10-G13 PolarHBondContact O-N 3.23Å; V11-G13 VanDerWaalsContact C-N 3.32Å; V11-G13 PolarHBondContact O-N 3.04Å; G13-V15 VanDerWaalsContact C-N 3.33Å; G13-V15 PolarHBondContact O-N 2.97Å; G13-K16 PolarHBondContact O-N 2.98Å; G13-K16 VanDerWaalsContact O-N 3.09Å; G13-E17 WeakPolarHBondContact O-CG 3.41Å; G13-E17 PolarHBondContact O-N 2.7Å
14	T	54.1	Low	47.8	Very low	37 Å²	37	88.7 Å²	88.7	23%	0.227	47%	0.471	C	S	.	.	H	α-helix	trans	-58.9	-40.8	179.8	-51.1	0	0	0	0	112.3	T10 E17 L18	T10-T14 PolarHBondContact O-N 2.67Å; T10-T14 PolarHBondContact O-OG1 2.98Å; T10-T14 VanDerWaalsContact O-OG1 3.12Å; T14-E17 PolarHBondContact O-N 3.18Å; T14-L18 HydrophobicContact CG2-CD1 4.18Å; T14-L18 WeakPolarHBondContact O-CB 3.16Å; T14-L18 VanDerWaalsContact O-CG 3.32Å; T14-L18 WeakPolarHBondContact O-CG 3.49Å; T14-L18 PolarHBondContact O-N 3.48Å
15	V	47.6	Very low	47.4	Very low	38 Å²	38	85.1 Å²	85.1	23%	0.23	45%	0.452	C	S	.	.	H	α-helix	trans	-65	-41.4	175.7	170.4	0	0	0	0	111.6	V11 G13 Y19 I655	V11-V15 HydrophobicContact CG1-CG2 4.18Å; V11-V15 VanDerWaalsContact O-CB 3.27Å; V11-V15 WeakPolarHBondContact O-CB 3.23Å; V11-V15 WeakPolarHBondContact O-CG2 3.45Å; V11-V15 PolarHBondContact O-N 2.8Å; G13-V15 VanDerWaalsContact C-N 3.33Å; G13-V15 PolarHBondContact O-N 2.97Å; V15-Y19 HydrophobicContact CG1-CD2 4.02Å; V15-Y19 HydrophobicContact CG1-CE2 4.4Å; V15-Y19 WeakPolarHBondContact O-CB 3.41Å; V15-Y19 PolarHBondContact O-N 2.94Å; V15-I655 HydrophobicContact CG2-CB 4.49Å; V15-I655 HydrophobicContact CG2-CD1 3.54Å; V15-I655 HydrophobicContact CG2-CG1 3.77Å; V15-I655 HydrophobicContact CG2-CG2 3.89Å
16	K	49.2	Very low	48	Very low	146 Å²	146	86.3 Å²	86.3	64%	0.635	45%	0.453	S	S	*	.	H	α-helix	trans	-68.2	-34.9	177.4	-175.9	-177.4	178.5	-171.5	0	111.9	F12 G13 R20	F12-K16 WeakPolarHBondContact O-CB 3.48Å; F12-K16 PolarHBondContact O-N 2.7Å; G13-K16 PolarHBondContact O-N 2.98Å; G13-K16 VanDerWaalsContact O-N 3.09Å; K16-R20 WeakPolarHBondContact O-CB 3.37Å; K16-R20 VanDerWaalsContact O-CG 3.31Å; K16-R20 WeakPolarHBondContact O-CG 3.34Å; K16-R20 PolarHBondContact O-N 3.06Å
17	E	51	Low	48.8	Very low	140 Å²	140	82.4 Å²	82.4	65%	0.654	44%	0.435	S	S	*	.	H	α-helix	trans	-72	-43.9	175.4	-73.4	175.8	171.7	0	0	111.6	G13 T14 Y19 R20 G21	G13-E17 WeakPolarHBondContact O-CG 3.41Å; G13-E17 PolarHBondContact O-N 2.7Å; T14-E17 PolarHBondContact O-N 3.18Å; E17-Y19 PolarHBondContact O-N 2.81Å; E17-R20 PolarHBondContact O-N 3.35Å; E17-R20 VanDerWaalsContact O-N 3.14Å; E17-G21 PolarHBondContact O-N 3.2Å
18	L	46.7	Very low	50.4	Low	47 Å²	47	78.4 Å²	78.4	25%	0.246	42%	0.417	C	S	.	.	H	α-helix	trans	-54.7	-52.4	169.3	-79.5	168.3	0	0	0	111.3	T14 R20 G21 L22	T14-L18 HydrophobicContact CG2-CD1 4.18Å; T14-L18 WeakPolarHBondContact O-CB 3.16Å; T14-L18 VanDerWaalsContact O-CG 3.32Å; T14-L18 WeakPolarHBondContact O-CG 3.49Å; T14-L18 PolarHBondContact O-N 3.48Å; L18-R20 VanDerWaalsContact C-N 3.25Å; L18-R20 PolarHBondContact O-N 3.16Å; L18-G21 PolarHBondContact O-N 3.13Å; L18-L22 VanDerWaalsContact O-CB 3.27Å; L18-L22 WeakPolarHBondContact O-CB 3.29Å; L18-L22 WeakPolarHBondContact O-CG 3.17Å; L18-L22 PolarHBondContact O-N 3.45Å
19	Y	45.3	Very low	52.3	Low	149 Å²	149	76.1 Å²	76.1	58%	0.584	40%	0.398	S	S	*	.	H	α-helix	trans	-66.9	-19.5	178.1	-95.9	-91.4	0	0	0	114.4	V15 E17	V15-Y19 HydrophobicContact CG1-CD2 4.02Å; V15-Y19 HydrophobicContact CG1-CE2 4.4Å; V15-Y19 WeakPolarHBondContact O-CB 3.41Å; V15-Y19 PolarHBondContact O-N 2.94Å; E17-Y19 PolarHBondContact O-N 2.81Å
20	R	43.9	Very low	54.5	Low	207 Å²	207	69.3 Å²	69.3	78%	0.781	37%	0.366	S	S	*	.	H	α-helix	trans	-85	-33.4	170.9	-79.8	-172.7	76	-165.7	6.1	113.1	K16 E17 L18	K16-R20 WeakPolarHBondContact O-CB 3.37Å; K16-R20 VanDerWaalsContact O-CG 3.31Å; K16-R20 WeakPolarHBondContact O-CG 3.34Å; K16-R20 PolarHBondContact O-N 3.06Å; E17-R20 PolarHBondContact O-N 3.35Å; E17-R20 VanDerWaalsContact O-N 3.14Å; L18-R20 VanDerWaalsContact C-N 3.25Å; L18-R20 PolarHBondContact O-N 3.16Å
21	G	40.8	Very low	56.5	Low	63 Å²	63	65.6 Å²	65.6	65%	0.649	34%	0.343	S	S	*	.	H	α-helix	trans	-77.1	-33.6	176.6	0	0	0	0	0	113	E17 L18 N23	E17-G21 PolarHBondContact O-N 3.2Å; L18-G21 PolarHBondContact O-N 3.13Å; G21-N23 VanDerWaalsContact C-N 3.29Å; G21-N23 PolarHBondContact O-N 3.31Å
22	L	49.4	Very low	58.8	Low	55 Å²	55	63.9 Å²	63.9	29%	0.288	33%	0.333	S	S	.	.			trans	-73.1	76.9	173.6	-69.9	170	0	0	0	110.9	L18 P24 L27	L18-L22 VanDerWaalsContact O-CB 3.27Å; L18-L22 WeakPolarHBondContact O-CB 3.29Å; L18-L22 WeakPolarHBondContact O-CG 3.17Å; L18-L22 PolarHBondContact O-N 3.45Å; L22-P24 WeakPolarHBondContact O-CD 3.45Å; L22-L27 HydrophobicContact CB-CD1 4.2Å; L22-L27 HydrophobicContact CD2-CD1 4.03Å; L22-L27 HydrophobicContact CD2-CD2 3.88Å
23	N	43.1	Very low	60.9	Low	61 Å²	61	56.4 Å²	56.4	33%	0.326	30%	0.3	S	S	.	.			trans	-60.5	115.5	169	179.1	-8.6	0	0	0	109.3	G21 A25 T26	G21-N23 VanDerWaalsContact C-N 3.29Å; G21-N23 PolarHBondContact O-N 3.31Å; N23-A25 PolarHBondContact O-N 3.36Å; N23-A25 WeakPolarHBondContact OD1-CB 3.4Å; N23-A25 PolarHBondContact OD1-N 2.64Å; N23-T26 HydrophobicContact CB-CG2 4.14Å; N23-T26 PolarHBondContact O-N 3.21Å; N23-T26 PolarHBondContact O-OG1 2.95Å
24	P	47.3	Very low	63.3	Low	48 Å²	48	55 Å²	55	31%	0.312	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.6	-176.1	-23.6	37.4	0	0	0	113.7	L22 F723	L22-P24 WeakPolarHBondContact O-CD 3.45Å; P24-F723 HydrophobicContact CB-CD2 4.01Å; P24-F723 HydrophobicContact CB-CE2 3.57Å; P24-F723 HydrophobicContact CB-CZ 4.35Å; P24-F723 HydrophobicContact CG-CD2 4.4Å; P24-F723 HydrophobicContact CG-CE2 3.57Å; P24-F723 HydrophobicContact CG-CZ 3.85Å
25	A	43.8	Very low	65.4	Low	31 Å²	31	53.3 Å²	53.3	26%	0.256	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-0.1	172.9	0	0	0	0	0	114.3	N23 G53 K54 L55	N23-A25 PolarHBondContact O-N 3.36Å; N23-A25 WeakPolarHBondContact OD1-CB 3.4Å; N23-A25 PolarHBondContact OD1-N 2.64Å; A25-G53 CarbonylContact O-C 3.27Å; A25-G53 VanDerWaalsContact O-CA 3.22Å; A25-G53 WeakPolarHBondContact O-CA 3.46Å; A25-K54 HydrophobicContact CB-CB 4.34Å; A25-K54 PolarHBondContact O-N 3.36Å; A25-L55 HydrophobicContact CB-CD1 3.67Å; A25-L55 PolarHBondContact O-N 3.3Å
26	T	54.6	Low	67.8	Low	60 Å²	60	51.5 Å²	51.5	37%	0.368	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-6.7	170.3	57.3	0	0	0	0	113.6	N23 S28 L55	N23-T26 HydrophobicContact CB-CG2 4.14Å; N23-T26 PolarHBondContact O-N 3.21Å; N23-T26 PolarHBondContact O-OG1 2.95Å; T26-S28 PolarHBondContact O-N 3.11Å; T26-S28 VanDerWaalsContact O-N 3.08Å; T26-L55 HydrophobicContact CG2-CB 3.75Å; T26-L55 HydrophobicContact CG2-CD2 3.83Å; T26-L55 HydrophobicContact CG2-CG 4.27Å
27	L	66.6	Low	70.1	Confident	34 Å²	34	49.6 Å²	49.6	18%	0.178	25%	0.253	C	S	.	.			trans	-83.9	90.8	-174	-70.3	168.8	0	0	0	112.3	L22 L722	L22-L27 HydrophobicContact CB-CD1 4.2Å; L22-L27 HydrophobicContact CD2-CD1 4.03Å; L22-L27 HydrophobicContact CD2-CD2 3.88Å; L27-L722 HydrophobicContact CD1-CD1 3.41Å; L27-L722 VanDerWaalsContact CD1-CD1 3.41Å
28	S	81.3	Confident	72.2	Confident	27 Å²	27	43.4 Å²	43.4	19%	0.189	22%	0.224	C	C	.	.			trans	-74.8	165.1	164.2	-49.3	0	0	0	0	111.4	T26 R51 F52 G53 C624	T26-S28 PolarHBondContact O-N 3.11Å; T26-S28 VanDerWaalsContact O-N 3.08Å; S28-R51 CarbonylContact C-O 2.9Å; S28-R51 WeakPolarHBondContact CA-O 3.44Å; S28-R51 WeakPolarHBondContact CB-O 3.5Å; S28-F52 WeakPolarHBondContact OG-CA 3.29Å; S28-G53 PolarHBondContact OG-N 2.82Å; S28-C624 VanDerWaalsContact CB-SG 3.56Å
29	G	87.8	Confident	74.4	Confident	1 Å²	1	50 Å²	50	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.6	160.9	175.6	0	0	0	0	0	113.6	R51 I690	G29-R51 PolarHBondContact N-O 2.8Å; G29-R51 PolarHBondContact O-N 3.36Å; G29-I690 WeakPolarHBondContact O-CD1 3.4Å
30	G	92	Very high	76.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.2	175.6	0	0	0	0	0	112.2	A693 K697	G30-A693 WeakPolarHBondContact O-CB 3.49Å; G30-K697 PolarHBondContact O-NZ 2.77Å
31	I	93.5	Very high	79	Confident	7 Å²	7	40.6 Å²	40.6	4%	0.036	23%	0.228	C	C	.	.			trans	-83	146.5	170.7	-51.3	-172	0	0	0	108.4	H49 I690 I715 L717 P719	I31-H49 HydrophobicContact CB-CB 4.06Å; I31-H49 HydrophobicContact CD1-CB 3.71Å; I31-H49 HydrophobicContact CG1-CB 3.86Å; I31-H49 PolarHBondContact N-O 2.97Å; I31-I690 HydrophobicContact CD1-CB 4.32Å; I31-I690 HydrophobicContact CD1-CD1 4.33Å; I31-I690 HydrophobicContact CD1-CG1 4.36Å; I31-I690 HydrophobicContact CG1-CB 4.25Å; I31-I690 HydrophobicContact CG1-CD1 3.87Å; I31-I690 HydrophobicContact CG1-CG1 3.81Å; I31-I715 WeakPolarHBondContact CG2-O 3.41Å; I31-L717 HydrophobicContact CD1-CB 3.93Å; I31-L717 VanDerWaalsContact CD1-O 3.29Å; I31-L717 WeakPolarHBondContact CD1-O 3.46Å; I31-L717 HydrophobicContact CG1-CB 4.21Å; I31-P719 HydrophobicContact CD1-CB 4.13Å
32	D	97.2	Very high	81.7	Confident	3 Å²	3	39 Å²	39	2%	0.016	21%	0.207	C	C	.	.			trans	-71.4	145.9	177.1	-60.1	-32.9	0	0	0	111.2	T627 Y629 K697 P714 I715	D32-T627 WeakPolarHBondContact CA-O 3.41Å; D32-T627 VanDerWaalsContact CB-O 3.31Å; D32-T627 WeakPolarHBondContact CB-O 3.45Å; D32-T627 PolarHBondContact OD1-N 2.81Å; D32-Y629 HydrophobicContact CB-CE2 4.4Å; D32-K697 WeakPolarHBondContact OD1-CE 3.5Å; D32-K697 IonicContact OD1-NZ 2.83Å; D32-K697 PolarHBondContact OD1-NZ 3Å; D32-K697 WeakPolarHBondContact OD2-CE 3.45Å; D32-K697 IonicContact OD2-NZ 2.71Å; D32-P714 HydrophobicContact CB-CB 3.88Å; D32-I715 PolarHBondContact OD2-N 2.82Å; D32-I715 VanDerWaalsContact OD2-N 3.08Å
33	V	97.1	Very high	83.9	Confident	2 Å²	2	38 Å²	38	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134.1	-177.1	177.2	0	0	0	0	109.3	V35 C45 S46 F48 T627 I628 Y629	V33-V35 HydrophobicContact CG1-CG2 4.27Å; V33-C45 HydrophobicContact CG1-CB 4.3Å; V33-S46 WeakPolarHBondContact CA-OG 3.38Å; V33-F48 HydrophobicContact CG1-CD2 4.2Å; V33-F48 HydrophobicContact CG1-CE2 3.8Å; V33-F48 HydrophobicContact CG1-CZ 4.03Å; V33-F48 HydrophobicContact CG2-CB 4.5Å; V33-F48 HydrophobicContact CG2-CD1 3.89Å; V33-F48 HydrophobicContact CG2-CD2 4.12Å; V33-F48 HydrophobicContact CG2-CE1 4.1Å; V33-F48 HydrophobicContact CG2-CE2 4.32Å; V33-F48 HydrophobicContact CG2-CG 3.9Å; V33-F48 HydrophobicContact CG2-CZ 4.31Å; V33-T627 PolarHBondContact N-O 2.94Å; V33-T627 VanDerWaalsContact N-O 3.09Å; V33-I628 HydrophobicContact CB-CG1 4.31Å; V33-I628 HydrophobicContact CB-CG2 4.4Å; V33-I628 HydrophobicContact CG1-CG2 4.45Å; V33-I628 CarbonylContact O-C 3.58Å; V33-I628 WeakPolarHBondContact O-CA 3.48Å; V33-Y629 PolarHBondContact O-N 2.77Å
34	L	98	Very high	86.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.4	167.9	179.7	62.3	0	0	0	109.7	V36 C45 S46 W631 I746 L749 F750	L34-V36 HydrophobicContact CD2-CG2 4.14Å; L34-V36 HydrophobicContact CG-CG2 4.04Å; L34-C45 CarbonylContact O-C 3.49Å; L34-C45 VanDerWaalsContact O-CA 3.32Å; L34-C45 WeakPolarHBondContact O-CA 3.24Å; L34-S46 PolarHBondContact N-OG 3.27Å; L34-S46 PolarHBondContact O-N 3.16Å; L34-W631 HydrophobicContact CD1-CB 4.1Å; L34-W631 HydrophobicContact CD1-CD2 3.46Å; L34-W631 VanDerWaalsContact CD1-CD2 3.46Å; L34-W631 HydrophobicContact CD1-CE3 3.42Å; L34-W631 VanDerWaalsContact CD1-CE3 3.42Å; L34-W631 HydrophobicContact CD1-CG 3.79Å; L34-W631 HydrophobicContact CD1-CH2 4.5Å; L34-W631 HydrophobicContact CD1-CZ3 3.96Å; L34-W631 HydrophobicContact CD2-CE3 3.95Å; L34-W631 HydrophobicContact CD2-CZ3 4.01Å; L34-W631 HydrophobicContact CG-CE3 4.36Å; L34-I746 HydrophobicContact CB-CD1 4.18Å; L34-I746 HydrophobicContact CD2-CD1 4.1Å; L34-I746 HydrophobicContact CD2-CG2 3.94Å; L34-L749 HydrophobicContact CB-CD1 4.43Å; L34-L749 HydrophobicContact CD2-CD1 4.32Å; L34-L749 HydrophobicContact CG-CD1 4.37Å; L34-F750 HydrophobicContact CD2-CE2 3.93Å; L34-F750 HydrophobicContact CD2-CZ 4.02Å
35	V	98.1	Very high	88.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.1	169.6	-179.9	0	0	0	0	108.1	V33 F43 R44 C45 I598 L603 I628 Y629 L630 W631	V33-V35 HydrophobicContact CG1-CG2 4.27Å; V35-F43 HydrophobicContact CG1-CB 4.18Å; V35-F43 HydrophobicContact CG1-CD1 4.04Å; V35-F43 HydrophobicContact CG1-CG 4.47Å; V35-R44 CarbonylContact C-O 3.3Å; V35-R44 WeakPolarHBondContact CA-O 3.28Å; V35-C45 HydrophobicContact CG2-CB 4.11Å; V35-I598 HydrophobicContact CG1-CG2 3.71Å; V35-I598 HydrophobicContact CG2-CG2 4.5Å; V35-L603 HydrophobicContact CB-CD1 4.38Å; V35-L603 HydrophobicContact CG1-CD1 4.44Å; V35-L603 HydrophobicContact CG2-CD1 3.95Å; V35-I628 HydrophobicContact CG2-CG2 3.69Å; V35-Y629 PolarHBondContact N-O 2.99Å; V35-L630 HydrophobicContact CB-CD1 4.11Å; V35-L630 HydrophobicContact CG1-CD1 3.67Å; V35-L630 WeakPolarHBondContact O-CA 3.33Å; V35-W631 PolarHBondContact O-N 2.66Å
36	V	97.5	Very high	91.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.5	177.2	-174.8	0	0	0	0	109.3	L34 Q38 R44 W631 W633 L749 F750	L34-V36 HydrophobicContact CD2-CG2 4.14Å; L34-V36 HydrophobicContact CG-CG2 4.04Å; V36-Q38 PolarHBondContact O-N 3.21Å; V36-Q38 PolarHBondContact O-NE2 3.24Å; V36-R44 PolarHBondContact N-O 3.49Å; V36-R44 PolarHBondContact O-N 2.91Å; V36-R44 VanDerWaalsContact O-N 3.11Å; V36-W631 CarbonylContact C-O 3.55Å; V36-W631 WeakPolarHBondContact CA-O 3.41Å; V36-W633 HydrophobicContact CG1-CB 4.28Å; V36-L749 HydrophobicContact CB-CB 4.2Å; V36-L749 HydrophobicContact CG2-CB 3.66Å; V36-L749 HydrophobicContact CG2-CD1 4.33Å; V36-F750 HydrophobicContact CG1-CD1 3.95Å; V36-F750 HydrophobicContact CG1-CE1 4.15Å; V36-F750 HydrophobicContact CG1-CG 4.29Å; V36-F750 HydrophobicContact CG2-CD1 4.43Å; V36-F750 HydrophobicContact CG2-CD2 4.14Å; V36-F750 HydrophobicContact CG2-CE1 4.12Å; V36-F750 HydrophobicContact CG2-CE2 3.8Å; V36-F750 HydrophobicContact CG2-CG 4.45Å; V36-F750 HydrophobicContact CG2-CZ 3.79Å
37	R	96.8	Very high	93.1	Very high	106 Å²	106	35.6 Å²	35.6	40%	0.4	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	116.4	168.8	-179.7	170.5	63	171.5	-4.7	108.9	F43 E605 L630 W631 N632 W633	R37-F43 HydrophobicContact CB-CD1 4.11Å; R37-F43 HydrophobicContact CB-CE1 3.95Å; R37-F43 HydrophobicContact CG-CD1 4.47Å; R37-F43 HydrophobicContact CG-CE1 4.03Å; R37-E605 IonicContact NH2-OE1 3.98Å; R37-L630 HydrophobicContact CB-CD1 4.32Å; R37-W631 PolarHBondContact N-O 2.69Å; R37-N632 VanDerWaalsContact CZ-OD1 3.22Å; R37-N632 PolarHBondContact NE-OD1 3.27Å; R37-N632 PolarHBondContact NH2-OD1 3.12Å; R37-W633 PolarHBondContact O-N 3.47Å
38	Q	95.8	Very high	94.4	Very high	10 Å²	10	34.2 Å²	34.2	5%	0.047	16%	0.164	C	C	.	.			trans	-78.4	164.7	179.9	-52.6	-56.4	-71.6	0	0	111.1	V36 D40 G41 S42 R44 L749	V36-Q38 PolarHBondContact O-N 3.21Å; V36-Q38 PolarHBondContact O-NE2 3.24Å; Q38-D40 VanDerWaalsContact CB-OD1 3.27Å; Q38-D40 WeakPolarHBondContact CB-OD1 3.47Å; Q38-D40 PolarHBondContact O-N 3.3Å; Q38-D40 VanDerWaalsContact O-N 3.16Å; Q38-G41 PolarHBondContact O-N 2.73Å; Q38-G41 VanDerWaalsContact O-N 3.08Å; Q38-S42 WeakPolarHBondContact CB-O 3.15Å; Q38-S42 WeakPolarHBondContact CB-OG 3.14Å; Q38-S42 VanDerWaalsContact CG-OG 3.32Å; Q38-S42 WeakPolarHBondContact CG-OG 3.35Å; Q38-S42 PolarHBondContact N-O 3.42Å; Q38-R44 HydrophobicContact CG-CG 4.13Å; Q38-L749 PolarHBondContact NE2-O 2.92Å; Q38-L749 PolarHBondContact OE1-O 2.95Å
39	R	92.8	Very high	95	Very high	186 Å²	186	35.3 Å²	35.3	70%	0.702	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.5	-179.1	-169.5	178.9	176.9	102	0.5	114.2	W633	R39-W633 HydrophobicContact CB-CD2 4.23Å; R39-W633 HydrophobicContact CB-CG 4.31Å; R39-W633 HydrophobicContact CG-CZ2 4.22Å; R39-W633 VanDerWaalsContact NH1-CH2 3.29Å
40	D	93.1	Very high	95.1	Very high	126 Å²	126	35.5 Å²	35.5	67%	0.674	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-0.6	178.3	59.4	10	0	0	0	114	Q38 S42	Q38-D40 VanDerWaalsContact CB-OD1 3.27Å; Q38-D40 WeakPolarHBondContact CB-OD1 3.47Å; Q38-D40 PolarHBondContact O-N 3.3Å; Q38-D40 VanDerWaalsContact O-N 3.16Å; D40-S42 VanDerWaalsContact C-N 3.33Å; D40-S42 VanDerWaalsContact OD1-CB 3.23Å; D40-S42 WeakPolarHBondContact OD1-CB 3.43Å; D40-S42 PolarHBondContact OD1-N 2.98Å; D40-S42 PolarHBondContact OD1-OG 3.31Å; D40-S42 PolarHBondContact OD2-OG 3.46Å
41	G	93.4	Very high	94.9	Very high	32 Å²	32	37.2 Å²	37.2	33%	0.33	17%	0.173	S	C	.	.	S	Bend	trans	79.3	12	-175.3	0	0	0	0	0	114.8	Q38 R599	Q38-G41 PolarHBondContact O-N 2.73Å; Q38-G41 VanDerWaalsContact O-N 3.08Å; G41-R599 PolarHBondContact O-NH1 3.04Å; G41-R599 PolarHBondContact O-NH2 3.12Å
42	S	96	Very high	94.5	Very high	29 Å²	29	37 Å²	37	20%	0.203	17%	0.172	C	C	.	.			trans	-81.3	165.7	161.7	72	0	0	0	0	111.6	Q38 D40 S595	Q38-S42 WeakPolarHBondContact CB-O 3.15Å; Q38-S42 WeakPolarHBondContact CB-OG 3.14Å; Q38-S42 VanDerWaalsContact CG-OG 3.32Å; Q38-S42 WeakPolarHBondContact CG-OG 3.35Å; Q38-S42 PolarHBondContact N-O 3.42Å; D40-S42 VanDerWaalsContact C-N 3.33Å; D40-S42 VanDerWaalsContact OD1-CB 3.23Å; D40-S42 WeakPolarHBondContact OD1-CB 3.43Å; D40-S42 PolarHBondContact OD1-N 2.98Å; D40-S42 PolarHBondContact OD1-OG 3.31Å; D40-S42 PolarHBondContact OD2-OG 3.46Å; S42-S595 WeakPolarHBondContact CA-OG 3.39Å
43	F	97	Very high	93.4	Very high	36 Å²	36	37 Å²	37	16%	0.158	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	144.9	178.3	-59.2	-79	0	0	0	111.6	V35 R37 S595 I598 R599 L630	V35-F43 HydrophobicContact CG1-CB 4.18Å; V35-F43 HydrophobicContact CG1-CD1 4.04Å; V35-F43 HydrophobicContact CG1-CG 4.47Å; R37-F43 HydrophobicContact CB-CD1 4.11Å; R37-F43 HydrophobicContact CB-CE1 3.95Å; R37-F43 HydrophobicContact CG-CD1 4.47Å; R37-F43 HydrophobicContact CG-CE1 4.03Å; F43-S595 PolarHBondContact N-OG 2.79Å; F43-I598 HydrophobicContact CB-CB 3.98Å; F43-I598 HydrophobicContact CB-CD1 3.86Å; F43-I598 HydrophobicContact CB-CG2 3.63Å; F43-I598 HydrophobicContact CD1-CG2 4.26Å; F43-I598 HydrophobicContact CD2-CB 4.43Å; F43-I598 HydrophobicContact CD2-CG2 4.09Å; F43-I598 HydrophobicContact CG-CB 4.37Å; F43-I598 HydrophobicContact CG-CG2 3.75Å; F43-R599 HydrophobicContact CD2-CB 4.48Å; F43-R599 HydrophobicContact CE2-CB 4.18Å; F43-R599 HydrophobicContact CE2-CG 4.36Å; F43-L630 HydrophobicContact CD1-CD1 4.09Å; F43-L630 HydrophobicContact CE1-CD1 3.99Å
44	R	96.2	Very high	91.7	Very high	120 Å²	120	42.2 Å²	42.2	45%	0.453	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.2	170.7	-66.6	-177	170.7	-111.2	-10.7	109.6	V35 V36 Q38 L749 L751	V35-R44 CarbonylContact C-O 3.3Å; V35-R44 WeakPolarHBondContact CA-O 3.28Å; V36-R44 PolarHBondContact N-O 3.49Å; V36-R44 PolarHBondContact O-N 2.91Å; V36-R44 VanDerWaalsContact O-N 3.11Å; Q38-R44 HydrophobicContact CG-CG 4.13Å; R44-L749 HydrophobicContact CB-CD2 4.04Å; R44-L751 VanDerWaalsContact CZ-CD1 3.49Å
45	C	96.8	Very high	89.6	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.034	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	150.7	179.9	63	0	0	0	0	113.1	V33 L34 V35 F48 R592 L593 I598 L749	V33-C45 HydrophobicContact CG1-CB 4.3Å; L34-C45 CarbonylContact O-C 3.49Å; L34-C45 VanDerWaalsContact O-CA 3.32Å; L34-C45 WeakPolarHBondContact O-CA 3.24Å; V35-C45 HydrophobicContact CG2-CB 4.11Å; C45-F48 HydrophobicContact CB-CE2 4.31Å; C45-R592 WeakPolarHBondContact O-CD 3.45Å; C45-R592 PolarHBondContact O-NH1 2.81Å; C45-L593 PolarHBondContact SG-N 2.82Å; C45-L593 VanDerWaalsContact SG-N 3.37Å; C45-I598 HydrophobicContact CB-CD1 3.84Å; C45-L749 WeakPolarHBondContact O-CD2 3.45Å
46	S	95.6	Very high	87.3	Confident	5 Å²	5	45.8 Å²	45.8	4%	0.035	22%	0.216	C	C	.	.			trans	-69.1	164	159.7	68.5	0	0	0	0	110.7	V33 L34 F48	V33-S46 WeakPolarHBondContact CA-OG 3.38Å; L34-S46 PolarHBondContact N-OG 3.27Å; L34-S46 PolarHBondContact O-N 3.16Å; S46-F48 PolarHBondContact O-N 3.16Å
47	P	93.5	Very high	85.3	Confident	19 Å²	19	46.1 Å²	46.1	12%	0.123	22%	0.218	C	C	.	.			trans	-62.8	136	177.7	-22.7	34.6	0	0	0	113.3	H49 L591 D745	P47-H49 PolarHBondContact O-N 3.05Å; P47-H49 VanDerWaalsContact O-N 3.17Å; P47-L591 CarbonylContact C-O 3.52Å; P47-L591 WeakPolarHBondContact CA-O 3.35Å; P47-L591 HydrophobicContact CB-CB 4.02Å; P47-D745 WeakPolarHBondContact CD-OD2 3.46Å; P47-D745 WeakPolarHBondContact CG-OD2 3.3Å
48	F	94	Very high	83.1	Confident	4 Å²	4	47 Å²	47	2%	0.018	23%	0.23	C	C	.	.			trans	-75.9	94.1	168.5	-75.3	-111.2	0	0	0	109	V33 C45 S46 M78 F88 L591 L593 F612 I628	V33-F48 HydrophobicContact CG1-CD2 4.2Å; V33-F48 HydrophobicContact CG1-CE2 3.8Å; V33-F48 HydrophobicContact CG1-CZ 4.03Å; V33-F48 HydrophobicContact CG2-CB 4.5Å; V33-F48 HydrophobicContact CG2-CD1 3.89Å; V33-F48 HydrophobicContact CG2-CD2 4.12Å; V33-F48 HydrophobicContact CG2-CE1 4.1Å; V33-F48 HydrophobicContact CG2-CE2 4.32Å; V33-F48 HydrophobicContact CG2-CG 3.9Å; V33-F48 HydrophobicContact CG2-CZ 4.31Å; C45-F48 HydrophobicContact CB-CE2 4.31Å; S46-F48 PolarHBondContact O-N 3.16Å; F48-M78 HydrophobicContact CB-CE 4.16Å; F48-F88 HydrophobicContact CB-CE2 3.76Å; F48-F88 HydrophobicContact CB-CZ 4.28Å; F48-F88 HydrophobicContact CD1-CE2 4.06Å; F48-F88 AromaticContact CD1-CZ 3.84Å; F48-F88 HydrophobicContact CD1-CZ 3.84Å; F48-F88 AromaticContact CD2-CE2 3.79Å; F48-F88 HydrophobicContact CD2-CE2 3.79Å; F48-F88 HydrophobicContact CD2-CZ 4.31Å; F48-F88 HydrophobicContact CE1-CZ 4.22Å; F48-F88 HydrophobicContact CE2-CE2 4.39Å; F48-F88 AromaticContact CG-CE2 3.61Å; F48-F88 HydrophobicContact CG-CE2 3.61Å; F48-F88 AromaticContact CG-CZ 3.9Å; F48-F88 HydrophobicContact CG-CZ 3.9Å; F48-L591 PolarHBondContact N-O 2.84Å; F48-L593 HydrophobicContact CE1-CD1 4.36Å; F48-L593 HydrophobicContact CE2-CD1 3.82Å; F48-L593 HydrophobicContact CE2-CG 4.02Å; F48-L593 HydrophobicContact CZ-CD1 3.63Å; F48-L593 HydrophobicContact CZ-CG 4.33Å; F48-F612 HydrophobicContact CD1-CE1 4.23Å; F48-F612 AromaticContact CD1-CZ 4Å; F48-F612 HydrophobicContact CD1-CZ 4Å; F48-F612 HydrophobicContact CE1-CZ 4.46Å; F48-I628 HydrophobicContact CE1-CD1 4.12Å; F48-I628 HydrophobicContact CZ-CD1 4.41Å
49	H	92	Very high	81.1	Confident	50 Å²	50	55.3 Å²	55.3	23%	0.231	26%	0.261	C	S	.	.			trans	-96.2	105.1	174.9	-70.4	-53.1	0	0	0	110.5	I31 P47 I690 P719	I31-H49 HydrophobicContact CB-CB 4.06Å; I31-H49 HydrophobicContact CD1-CB 3.71Å; I31-H49 HydrophobicContact CG1-CB 3.86Å; I31-H49 PolarHBondContact N-O 2.97Å; P47-H49 PolarHBondContact O-N 3.05Å; P47-H49 VanDerWaalsContact O-N 3.17Å; H49-I690 HydrophobicContact CB-CD1 4.24Å; H49-I690 VanDerWaalsContact O-CD1 3.32Å; H49-I690 WeakPolarHBondContact O-CD1 3.46Å; H49-P719 HydrophobicContact CB-CB 4.14Å
50	V	91.4	Very high	79.3	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.03	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138.2	177.6	-177.5	0	0	0	0	109.3	F52 M78 A86 F612 C624	V50-F52 HydrophobicContact CG1-CD2 4.35Å; V50-F52 HydrophobicContact CG1-CE2 3.69Å; V50-F52 HydrophobicContact CG1-CZ 4.29Å; V50-M78 HydrophobicContact CG2-SD 4.46Å; V50-A86 HydrophobicContact CB-CB 4.2Å; V50-A86 HydrophobicContact CG1-CB 4.48Å; V50-A86 PolarHBondContact O-N 3.01Å; V50-F612 HydrophobicContact CB-CG 4.48Å; V50-F612 HydrophobicContact CG1-CB 3.92Å; V50-F612 HydrophobicContact CG1-CD1 4.48Å; V50-F612 HydrophobicContact CG1-CD2 4.08Å; V50-F612 HydrophobicContact CG1-CG 3.91Å; V50-F612 HydrophobicContact CG2-CD1 3.93Å; V50-F612 HydrophobicContact CG2-CD2 3.61Å; V50-F612 HydrophobicContact CG2-CE1 3.86Å; V50-F612 HydrophobicContact CG2-CE2 3.52Å; V50-F612 HydrophobicContact CG2-CG 3.82Å; V50-F612 HydrophobicContact CG2-CZ 3.66Å; V50-C624 HydrophobicContact CG1-CB 4.39Å
51	R	87.3	Confident	77.4	Confident	37 Å²	37	50.6 Å²	50.6	14%	0.14	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	139	179	-167.3	-177.1	-164.7	91.5	15.8	111.2	S28 G29 S83 G84 I690	S28-R51 CarbonylContact C-O 2.9Å; S28-R51 WeakPolarHBondContact CA-O 3.44Å; S28-R51 WeakPolarHBondContact CB-O 3.5Å; G29-R51 PolarHBondContact N-O 2.8Å; G29-R51 PolarHBondContact O-N 3.36Å; R51-S83 PolarHBondContact NH1-OG 3.04Å; R51-S83 PolarHBondContact NH2-O 3.29Å; R51-S83 PolarHBondContact NH2-OG 3.42Å; R51-G84 CarbonylContact C-O 3.11Å; R51-G84 VanDerWaalsContact CA-O 3.31Å; R51-G84 WeakPolarHBondContact CA-O 3.12Å; R51-G84 WeakPolarHBondContact CG-O 3.42Å; R51-I690 HydrophobicContact CB-CD1 3.97Å; R51-I690 HydrophobicContact CB-CG2 4.27Å
52	F	85.2	Confident	75.8	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.009	25%	0.249	C	C	.	.			trans	-111.7	142.1	169	-65.2	-96	0	0	0	110.1	S28 V50 V57 V65 L80 G84 F612 V614 C622 C624	S28-F52 WeakPolarHBondContact OG-CA 3.29Å; V50-F52 HydrophobicContact CG1-CD2 4.35Å; V50-F52 HydrophobicContact CG1-CE2 3.69Å; V50-F52 HydrophobicContact CG1-CZ 4.29Å; F52-V57 HydrophobicContact CB-CG2 4.23Å; F52-V65 HydrophobicContact CE2-CG1 3.78Å; F52-V65 HydrophobicContact CE2-CG2 4.36Å; F52-V65 HydrophobicContact CZ-CG1 3.94Å; F52-L80 HydrophobicContact CB-CD1 4.23Å; F52-L80 HydrophobicContact CD2-CD1 3.67Å; F52-L80 HydrophobicContact CG-CD1 4.32Å; F52-G84 PolarHBondContact N-O 3.13Å; F52-F612 HydrophobicContact CE2-CB 4.48Å; F52-F612 HydrophobicContact CZ-CB 4Å; F52-V614 HydrophobicContact CD1-CB 4.11Å; F52-V614 HydrophobicContact CD1-CG2 4.02Å; F52-V614 HydrophobicContact CD2-CG2 3.91Å; F52-V614 HydrophobicContact CE1-CB 3.97Å; F52-V614 HydrophobicContact CE1-CG2 3.74Å; F52-V614 HydrophobicContact CE2-CG2 3.63Å; F52-V614 HydrophobicContact CG-CG2 4.1Å; F52-V614 HydrophobicContact CZ-CB 4.28Å; F52-V614 HydrophobicContact CZ-CG2 3.55Å; F52-C622 HydrophobicContact CD1-CB 4.04Å; F52-C622 HydrophobicContact CE1-CB 4.33Å; F52-C624 WeakPolarHBondContact CE1-SG 3.38Å; F52-C624 HydrophobicContact CZ-CB 4.44Å
53	G	73	Confident	74.9	Confident	4 Å²	4	55.8 Å²	55.8	4%	0.041	25%	0.249	C	C	.	.			trans	-63.3	138.6	177.1	0	0	0	0	0	112.8	A25 S28 L55 G56 V57	A25-G53 CarbonylContact O-C 3.27Å; A25-G53 VanDerWaalsContact O-CA 3.22Å; A25-G53 WeakPolarHBondContact O-CA 3.46Å; S28-G53 PolarHBondContact OG-N 2.82Å; G53-L55 VanDerWaalsContact C-N 3.3Å; G53-L55 PolarHBondContact O-N 3.13Å; G53-G56 VanDerWaalsContact O-CA 3.31Å; G53-G56 WeakPolarHBondContact O-CA 3.34Å; G53-G56 PolarHBondContact O-N 3.41Å; G53-V57 PolarHBondContact O-N 3.09Å
54	K	62	Low	74.4	Confident	110 Å²	110	57.8 Å²	57.8	48%	0.478	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.5	178.8	-73.3	-162.6	167.9	-159.9	0	115.2	A25 G56 V57 L58 D82 S83	A25-K54 HydrophobicContact CB-CB 4.34Å; A25-K54 PolarHBondContact O-N 3.36Å; K54-G56 VanDerWaalsContact C-N 3.31Å; K54-V57 CarbonylContact O-C 3.47Å; K54-V57 PolarHBondContact O-N 2.98Å; K54-L58 PolarHBondContact O-N 3.3Å; K54-D82 WeakPolarHBondContact CE-O 3.42Å; K54-D82 PolarHBondContact NZ-O 2.85Å; K54-S83 VanDerWaalsContact CE-C 3.46Å; K54-S83 WeakPolarHBondContact CE-O 3.47Å
55	L	54.3	Low	74.2	Confident	67 Å²	67	52 Å²	52	35%	0.351	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-37.1	169	-104.3	80	0	0	0	111.2	A25 T26 G53 V57 Q619	A25-L55 HydrophobicContact CB-CD1 3.67Å; A25-L55 PolarHBondContact O-N 3.3Å; T26-L55 HydrophobicContact CG2-CB 3.75Å; T26-L55 HydrophobicContact CG2-CD2 3.83Å; T26-L55 HydrophobicContact CG2-CG 4.27Å; G53-L55 VanDerWaalsContact C-N 3.3Å; G53-L55 PolarHBondContact O-N 3.13Å; L55-V57 PolarHBondContact O-N 2.98Å; L55-Q619 PolarHBondContact O-NE2 2.95Å; L55-Q619 VanDerWaalsContact O-NE2 3.1Å
56	G	50.7	Low	74	Confident	8 Å²	8	54.5 Å²	54.5	8%	0.082	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-38.1	171.4	0	0	0	0	0	112.2	G53 K54 T616 Q619	G53-G56 VanDerWaalsContact O-CA 3.31Å; G53-G56 WeakPolarHBondContact O-CA 3.34Å; G53-G56 PolarHBondContact O-N 3.41Å; K54-G56 VanDerWaalsContact C-N 3.31Å; G56-T616 WeakPolarHBondContact O-CG2 3.06Å; G56-T616 PolarHBondContact O-OG1 2.95Å; G56-Q619 VanDerWaalsContact CA-OE1 3.28Å
57	V	54.3	Low	74	Confident	8 Å²	8	54.6 Å²	54.6	5%	0.048	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	64.7	-169.3	-149.7	0	0	0	0	112.8	F52 G53 K54 L55 R59 S60 K63 L80 V614 T616	F52-V57 HydrophobicContact CB-CG2 4.23Å; G53-V57 PolarHBondContact O-N 3.09Å; K54-V57 CarbonylContact O-C 3.47Å; K54-V57 PolarHBondContact O-N 2.98Å; L55-V57 PolarHBondContact O-N 2.98Å; V57-R59 WeakPolarHBondContact CG1-O 3.46Å; V57-R59 CarbonylContact O-C 3.16Å; V57-R59 PolarHBondContact O-N 3.37Å; V57-S60 PolarHBondContact O-N 2.85Å; V57-K63 HydrophobicContact CG1-CD 3.68Å; V57-K63 HydrophobicContact CG1-CG 4.19Å; V57-L80 HydrophobicContact CB-CD2 3.81Å; V57-L80 HydrophobicContact CG1-CD2 3.64Å; V57-L80 HydrophobicContact CG2-CD2 3.67Å; V57-V614 HydrophobicContact CG2-CG1 4.31Å; V57-T616 HydrophobicContact CG1-CG2 4.26Å; V57-T616 HydrophobicContact CG2-CG2 4.33Å
58	L	51.7	Low	74.1	Confident	123 Å²	123	55.9 Å²	55.9	64%	0.644	26%	0.26	S	S	*	.	S	Bend	trans	-56.5	-10	176.6	-72.8	166.1	0	0	0	115.5	K54	K54-L58 PolarHBondContact O-N 3.3Å
59	R	54.1	Low	74.2	Confident	185 Å²	185	56.1 Å²	56.1	70%	0.698	26%	0.261	S	S	*	.	S	Bend	trans	-133.5	94.7	158.7	-68.3	-174.5	-176.9	174.5	2.1	107.9	V57 K63	V57-R59 WeakPolarHBondContact CG1-O 3.46Å; V57-R59 CarbonylContact O-C 3.16Å; V57-R59 PolarHBondContact O-N 3.37Å; R59-K63 WeakPolarHBondContact O-CE 3.18Å
60	S	55	Low	74.4	Confident	26 Å²	26	57.3 Å²	57.3	18%	0.182	27%	0.27	C	S	.	.			trans	-68.5	-36.8	-174.9	38.5	0	0	0	0	114.1	V57 E62 D82	V57-S60 PolarHBondContact O-N 2.85Å; S60-E62 PolarHBondContact O-N 2.89Å; S60-D82 WeakPolarHBondContact CB-OD1 3.44Å; S60-D82 PolarHBondContact OG-OD1 2.8Å
61	R	51.6	Low	74.6	Confident	188 Å²	188	59.7 Å²	59.7	71%	0.709	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	126.9	-170.7	-73	-168.5	166.4	-168	-5.4	113.2	K63 D82	R61-K63 PolarHBondContact O-N 3.44Å; R61-K63 VanDerWaalsContact O-N 3.12Å; R61-D82 WeakPolarHBondContact CG-OD1 3.24Å; R61-D82 IonicContact NE-OD2 3.67Å; R61-D82 PolarHBondContact NE-OD2 3.12Å; R61-D82 IonicContact NH2-OD2 2.81Å
62	E	60.3	Low	75	Confident	121 Å²	121	64.6 Å²	64.6	57%	0.565	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	22.5	164.3	-57.8	-177.7	135.1	0	0	115	S60 S106	S60-E62 PolarHBondContact O-N 2.89Å; E62-S106 WeakPolarHBondContact OE1-CB 3.27Å; E62-S106 PolarHBondContact OE1-OG 2.86Å
63	K	77	Confident	75.4	Confident	48 Å²	48	69.5 Å²	69.5	21%	0.209	35%	0.352	C	S	.	.			trans	-71.2	133.5	167.2	-64.6	-138.1	175	-167.7	0	111.2	V57 R59 R61 K79 L80 V614 T615 T616	V57-K63 HydrophobicContact CG1-CD 3.68Å; V57-K63 HydrophobicContact CG1-CG 4.19Å; R59-K63 WeakPolarHBondContact O-CE 3.18Å; R61-K63 PolarHBondContact O-N 3.44Å; R61-K63 VanDerWaalsContact O-N 3.12Å; K63-K79 WeakPolarHBondContact O-CA 3.47Å; K63-L80 HydrophobicContact CB-CB 4.15Å; K63-L80 PolarHBondContact O-N 2.91Å; K63-V614 HydrophobicContact CB-CG1 4.47Å; K63-V614 HydrophobicContact CD-CG1 4.17Å; K63-T615 PolarHBondContact NZ-O 3.31Å; K63-T616 HydrophobicContact CD-CG2 4.38Å
64	V	86.9	Confident	76.3	Confident	78 Å²	78	70.7 Å²	70.7	47%	0.473	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	143	169.4	-171.1	0	0	0	0	109.1	D66 H77 M78	V64-D66 WeakPolarHBondContact CG1-OD1 3.5Å; V64-H77 HydrophobicContact CG1-CB 3.59Å; V64-H77 WeakPolarHBondContact CG1-ND1 3.39Å; V64-M78 CarbonylContact C-O 3.59Å
65	V	91.5	Very high	77.7	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118.9	170.3	-172.8	0	0	0	0	107	F52 H77 M78 L80 A86 F612 S613 V614	F52-V65 HydrophobicContact CE2-CG1 3.78Å; F52-V65 HydrophobicContact CE2-CG2 4.36Å; F52-V65 HydrophobicContact CZ-CG1 3.94Å; V65-H77 WeakPolarHBondContact O-CA 3.43Å; V65-M78 HydrophobicContact CB-CB 3.84Å; V65-M78 HydrophobicContact CB-CG 4.27Å; V65-M78 HydrophobicContact CG2-CB 4.03Å; V65-M78 PolarHBondContact N-O 3.45Å; V65-M78 PolarHBondContact O-N 3.22Å; V65-L80 HydrophobicContact CG2-CB 4.36Å; V65-L80 HydrophobicContact CG2-CD1 4.44Å; V65-A86 HydrophobicContact CG2-CB 3.93Å; V65-F612 HydrophobicContact CG1-CB 3.99Å; V65-S613 CarbonylContact C-O 3.12Å; V65-S613 VanDerWaalsContact CA-O 3.32Å; V65-S613 WeakPolarHBondContact CA-O 3.38Å; V65-V614 HydrophobicContact CB-CG2 4.07Å; V65-V614 HydrophobicContact CG1-CG2 3.96Å; V65-V614 HydrophobicContact CG2-CG2 3.68Å
66	D	92.9	Very high	79.3	Confident	56 Å²	56	71.1 Å²	71.1	30%	0.299	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	145.9	-177.9	-51.2	-48.1	0	0	0	110.3	V64 H77 F612 S613	V64-D66 WeakPolarHBondContact CG1-OD1 3.5Å; D66-H77 IonicContact OD1-CE1 2.8Å; D66-H77 PolarHBondContact OD1-CE1 2.97Å; D66-H77 VanDerWaalsContact OD1-CE1 3.29Å; D66-H77 IonicContact OD1-ND1 2.58Å; D66-H77 PolarHBondContact OD1-ND1 2.84Å; D66-F612 CarbonylContact O-C 3.59Å; D66-F612 WeakPolarHBondContact O-CA 3.21Å; D66-S613 PolarHBondContact N-O 3.03Å; D66-S613 PolarHBondContact O-N 3.48Å
67	I	95.3	Very high	81.1	Confident	7 Å²	7	75 Å²	75	4%	0.036	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.1	-173.9	-53.4	-176.1	0	0	0	110	I69 V74 L76 M78 F88 V610 F612	I67-I69 HydrophobicContact CG2-CD1 4.39Å; I67-I69 HydrophobicContact CG2-CG1 3.98Å; I67-V74 PolarHBondContact O-N 3.13Å; I67-L76 HydrophobicContact CD1-CD2 4.34Å; I67-L76 HydrophobicContact CD1-CG 4.3Å; I67-L76 WeakPolarHBondContact CD1-O 3.41Å; I67-L76 WeakPolarHBondContact CG1-O 3.4Å; I67-M78 HydrophobicContact CD1-CG 4Å; I67-F88 HydrophobicContact CD1-CE1 3.83Å; I67-F88 HydrophobicContact CD1-CZ 4.3Å; I67-V610 HydrophobicContact CG2-CG2 3.72Å; I67-F612 HydrophobicContact CD1-CD1 4.26Å; I67-F612 HydrophobicContact CD1-CE1 4.01Å; I67-F612 HydrophobicContact CG1-CD1 3.97Å; I67-F612 HydrophobicContact CG1-CE1 4.17Å; I67-F612 HydrophobicContact CG2-CE1 4.4Å
68	E	96	Very high	82.9	Confident	46 Å²	46	74.7 Å²	74.7	22%	0.215	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.3	167.5	-55.6	166	175.2	0	0	108.3	E72 V610 V611 R623	E68-E72 CarbonylContact C-O 3.56Å; E68-E72 VanDerWaalsContact CA-O 3.3Å; E68-E72 WeakPolarHBondContact CA-O 3.41Å; E68-V610 CarbonylContact O-C 3.59Å; E68-V610 WeakPolarHBondContact O-CA 3.46Å; E68-V611 HydrophobicContact CB-CB 4.2Å; E68-V611 PolarHBondContact N-O 2.84Å; E68-V611 PolarHBondContact O-N 2.87Å; E68-R623 IonicContact OE1-CZ 3.82Å; E68-R623 IonicContact OE1-NH1 2.95Å; E68-R623 PolarHBondContact OE1-NH1 2.94Å; E68-R623 IonicContact OE1-NH2 2.68Å; E68-R623 PolarHBondContact OE1-NH2 2.59Å; E68-R623 IonicContact OE2-CZ 2.64Å; E68-R623 IonicContact OE2-NH1 2.67Å; E68-R623 PolarHBondContact OE2-NH1 2.91Å
69	I	96.8	Very high	84.7	Confident	9 Å²	9	72 Å²	72	5%	0.046	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.6	174.4	-62.8	-176.8	0	0	0	109.3	I67 G71 E72 V74 L601 L603 N608 D609 V610 I628	I67-I69 HydrophobicContact CG2-CD1 4.39Å; I67-I69 HydrophobicContact CG2-CG1 3.98Å; I69-G71 PolarHBondContact O-N 3.23Å; I69-E72 PolarHBondContact N-O 2.87Å; I69-E72 PolarHBondContact O-N 2.77Å; I69-V74 HydrophobicContact CB-CG2 4.06Å; I69-V74 HydrophobicContact CD1-CG2 3.96Å; I69-V74 HydrophobicContact CG1-CG2 3.86Å; I69-L601 HydrophobicContact CD1-CB 3.96Å; I69-L601 HydrophobicContact CD1-CD1 3.98Å; I69-L601 HydrophobicContact CD1-CD2 3.88Å; I69-L601 HydrophobicContact CD1-CG 4.14Å; I69-L603 HydrophobicContact CD1-CD2 4.42Å; I69-L603 HydrophobicContact CG2-CD2 4.09Å; I69-N608 HydrophobicContact CG2-CB 4.41Å; I69-D609 WeakPolarHBondContact CA-O 3.31Å; I69-V610 HydrophobicContact CG1-CB 4.38Å; I69-V610 HydrophobicContact CG1-CG2 4.02Å; I69-I628 HydrophobicContact CD1-CD1 3.89Å; I69-I628 HydrophobicContact CG1-CD1 4.44Å
70	N	96.3	Very high	86.2	Confident	76 Å²	76	63.4 Å²	63.4	41%	0.406	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	14	-174.9	-60.2	-39.4	0	0	0	115	N604 N608 D609	N70-N604 PolarHBondContact ND2-ND2 2.76Å; N70-N608 PolarHBondContact ND2-OD1 2.99Å; N70-N608 VanDerWaalsContact OD1-CA 3.23Å; N70-N608 WeakPolarHBondContact OD1-CA 3.42Å; N70-N608 WeakPolarHBondContact OD1-CB 3.32Å; N70-D609 PolarHBondContact N-O 2.83Å; N70-D609 PolarHBondContact OD1-N 3.12Å
71	G	94.3	Very high	87.3	Confident	55 Å²	55	62.5 Å²	62.5	57%	0.567	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.1	-18.4	-175.9	0	0	0	0	0	114.3	I69	I69-G71 PolarHBondContact O-N 3.23Å
72	E	95.1	Very high	88.4	Confident	139 Å²	139	57 Å²	57	65%	0.65	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	136.6	-179	-60.4	-56.8	137.7	0	0	111.4	E68 I69	E68-E72 CarbonylContact C-O 3.56Å; E68-E72 VanDerWaalsContact CA-O 3.3Å; E68-E72 WeakPolarHBondContact CA-O 3.41Å; I69-E72 PolarHBondContact N-O 2.87Å; I69-E72 PolarHBondContact O-N 2.77Å
73	P	93.8	Very high	88.9	Confident	105 Å²	105	52.8 Å²	52.8	68%	0.682	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	142.9	174.3	30.9	-34.4	0	0	0	111.1
74	V	92.9	Very high	89	Confident	30 Å²	30	50.6 Å²	50.6	18%	0.182	29%	0.285	C	S	.	.			trans	-110.9	139.4	179.1	-174.2	0	0	0	0	110.3	I67 I69 L76 L601	I67-V74 PolarHBondContact O-N 3.13Å; I69-V74 HydrophobicContact CB-CG2 4.06Å; I69-V74 HydrophobicContact CD1-CG2 3.96Å; I69-V74 HydrophobicContact CG1-CG2 3.86Å; V74-L76 HydrophobicContact CG1-CB 3.81Å; V74-L76 PolarHBondContact O-N 2.98Å; V74-L601 HydrophobicContact CG1-CD2 3.79Å
75	D	90.2	Very high	88.9	Confident	161 Å²	161	50.6 Å²	50.6	86%	0.861	28%	0.28	S	S	*	.	S	Bend	trans	-72.8	63.3	168.9	-171.4	21.7	0	0	0	111
76	L	89.8	Confident	88.8	Confident	25 Å²	25	50.7 Å²	50.7	13%	0.131	28%	0.281	C	S	.	.			trans	-158.6	115.1	179.8	178.4	68.2	0	0	0	109	I67 V74 F88 L593 L601	I67-L76 HydrophobicContact CD1-CD2 4.34Å; I67-L76 HydrophobicContact CD1-CG 4.3Å; I67-L76 WeakPolarHBondContact CD1-O 3.41Å; I67-L76 WeakPolarHBondContact CG1-O 3.4Å; V74-L76 HydrophobicContact CG1-CB 3.81Å; V74-L76 PolarHBondContact O-N 2.98Å; L76-F88 HydrophobicContact CD1-CD1 4.12Å; L76-F88 HydrophobicContact CD1-CE1 4.21Å; L76-F88 HydrophobicContact CD2-CE1 3.86Å; L76-F88 HydrophobicContact CD2-CZ 4.41Å; L76-F88 HydrophobicContact CG-CD1 4.3Å; L76-F88 HydrophobicContact CG-CE1 3.91Å; L76-L593 HydrophobicContact CD1-CD2 4.07Å; L76-L593 HydrophobicContact CD2-CD1 3.59Å; L76-L593 HydrophobicContact CD2-CD2 3.78Å; L76-L593 HydrophobicContact CD2-CG 4.34Å; L76-L601 HydrophobicContact CD2-CD2 3.83Å
77	H	87.7	Confident	88.7	Confident	89 Å²	89	49 Å²	49	41%	0.412	27%	0.271	S	S	.	.			trans	-115.9	152.4	-178.3	-53.9	-97	0	0	0	112.1	V64 V65 D66	V64-H77 HydrophobicContact CG1-CB 3.59Å; V64-H77 WeakPolarHBondContact CG1-ND1 3.39Å; V65-H77 WeakPolarHBondContact O-CA 3.43Å; D66-H77 IonicContact OD1-CE1 2.8Å; D66-H77 PolarHBondContact OD1-CE1 2.97Å; D66-H77 VanDerWaalsContact OD1-CE1 3.29Å; D66-H77 IonicContact OD1-ND1 2.58Å; D66-H77 PolarHBondContact OD1-ND1 2.84Å
78	M	92.3	Very high	88.5	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	156.9	166.3	-35	-179.3	76.9	0	0	109.5	F48 V50 V64 V65 I67 A86 F87 F88 F612	F48-M78 HydrophobicContact CB-CE 4.16Å; V50-M78 HydrophobicContact CG2-SD 4.46Å; V64-M78 CarbonylContact C-O 3.59Å; V65-M78 HydrophobicContact CB-CB 3.84Å; V65-M78 HydrophobicContact CB-CG 4.27Å; V65-M78 HydrophobicContact CG2-CB 4.03Å; V65-M78 PolarHBondContact N-O 3.45Å; V65-M78 PolarHBondContact O-N 3.22Å; I67-M78 HydrophobicContact CD1-CG 4Å; M78-A86 HydrophobicContact CB-CB 4.02Å; M78-A86 HydrophobicContact CE-CB 3.95Å; M78-A86 HydrophobicContact CG-CB 4.48Å; M78-A86 HydrophobicContact SD-CB 3.69Å; M78-F87 CarbonylContact C-O 3.52Å; M78-F87 WeakPolarHBondContact CA-O 3.36Å; M78-F87 WeakPolarHBondContact CB-O 3.13Å; M78-F88 HydrophobicContact CE-CD1 4.47Å; M78-F88 HydrophobicContact CE-CD2 4.19Å; M78-F88 HydrophobicContact CE-CE1 4.19Å; M78-F88 HydrophobicContact CE-CE2 3.89Å; M78-F88 HydrophobicContact CE-CG 4.47Å; M78-F88 HydrophobicContact CE-CZ 3.88Å; M78-F88 HydrophobicContact CG-CD1 3.93Å; M78-F88 HydrophobicContact CG-CE1 3.66Å; M78-F88 HydrophobicContact CG-CZ 4.23Å; M78-F88 HydrophobicContact SD-CE1 4.37Å; M78-F88 HydrophobicContact SD-CZ 4.36Å; M78-F612 HydrophobicContact SD-CD1 3.8Å; M78-F612 HydrophobicContact SD-CE1 3.87Å
79	K	89.1	Confident	88.1	Confident	68 Å²	68	48.6 Å²	48.6	30%	0.296	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	144.7	162.9	-66.9	-169.4	-169.4	174.2	0	109.8	K63 A86 F87 V89	K63-K79 WeakPolarHBondContact O-CA 3.47Å; K79-A86 WeakPolarHBondContact O-CA 3.42Å; K79-F87 HydrophobicContact CB-CD2 4.38Å; K79-F87 HydrophobicContact CB-CE2 3.74Å; K79-F87 HydrophobicContact CB-CZ 3.99Å; K79-F87 PolarHBondContact N-O 2.72Å; K79-F87 PolarHBondContact O-N 3.01Å; K79-V89 HydrophobicContact CB-CG2 4.26Å; K79-V89 HydrophobicContact CD-CG2 3.65Å; K79-V89 HydrophobicContact CG-CG2 3.83Å
80	L	84.7	Confident	87.5	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.016	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.8	175	-163.4	77.7	0	0	0	111.6	F52 V57 K63 V65 A86	F52-L80 HydrophobicContact CB-CD1 4.23Å; F52-L80 HydrophobicContact CD2-CD1 3.67Å; F52-L80 HydrophobicContact CG-CD1 4.32Å; V57-L80 HydrophobicContact CB-CD2 3.81Å; V57-L80 HydrophobicContact CG1-CD2 3.64Å; V57-L80 HydrophobicContact CG2-CD2 3.67Å; K63-L80 HydrophobicContact CB-CB 4.15Å; K63-L80 PolarHBondContact O-N 2.91Å; V65-L80 HydrophobicContact CG2-CB 4.36Å; V65-L80 HydrophobicContact CG2-CD1 4.44Å; L80-A86 HydrophobicContact CD1-CB 4.44Å
81	G	79	Confident	86.6	Confident	8 Å²	8	52.2 Å²	52.2	8%	0.082	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-93.1	164.8	176.6	0	0	0	0	0	114.4	S83 G84 E85	G81-S83 PolarHBondContact O-N 3.04Å; G81-S83 VanDerWaalsContact O-N 3.1Å; G81-G84 WeakPolarHBondContact O-CA 3.34Å; G81-G84 PolarHBondContact O-N 2.89Å; G81-E85 PolarHBondContact N-O 3.37Å
82	D	73.7	Confident	85.4	Confident	72 Å²	72	50.1 Å²	50.1	39%	0.385	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-7.1	-175.9	-74	-24.6	0	0	0	114.7	K54 S60 R61	K54-D82 WeakPolarHBondContact CE-O 3.42Å; K54-D82 PolarHBondContact NZ-O 2.85Å; S60-D82 WeakPolarHBondContact CB-OD1 3.44Å; S60-D82 PolarHBondContact OG-OD1 2.8Å; R61-D82 WeakPolarHBondContact CG-OD1 3.24Å; R61-D82 IonicContact NE-OD2 3.67Å; R61-D82 PolarHBondContact NE-OD2 3.12Å; R61-D82 IonicContact NH2-OD2 2.81Å
83	S	71.1	Confident	83.7	Confident	33 Å²	33	49.3 Å²	49.3	23%	0.231	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-17.1	166.5	132.7	0	0	0	0	113.2	R51 K54 G81 E85	R51-S83 PolarHBondContact NH1-OG 3.04Å; R51-S83 PolarHBondContact NH2-O 3.29Å; R51-S83 PolarHBondContact NH2-OG 3.42Å; K54-S83 VanDerWaalsContact CE-C 3.46Å; K54-S83 WeakPolarHBondContact CE-O 3.47Å; G81-S83 PolarHBondContact O-N 3.04Å; G81-S83 VanDerWaalsContact O-N 3.1Å; S83-E85 WeakPolarHBondContact CB-OE1 3.47Å; S83-E85 WeakPolarHBondContact CB-OE2 3.38Å; S83-E85 PolarHBondContact OG-OE1 3.36Å; S83-E85 PolarHBondContact OG-OE2 3.49Å
84	G	79.3	Confident	82	Confident	2 Å²	2	48 Å²	48	2%	0.021	26%	0.255	C	S	.	.	S	Bend	trans	95.4	6.6	-170	0	0	0	0	0	113.6	R51 F52 G81	R51-G84 CarbonylContact C-O 3.11Å; R51-G84 VanDerWaalsContact CA-O 3.31Å; R51-G84 WeakPolarHBondContact CA-O 3.12Å; R51-G84 WeakPolarHBondContact CG-O 3.42Å; F52-G84 PolarHBondContact N-O 3.13Å; G81-G84 WeakPolarHBondContact O-CA 3.34Å; G81-G84 PolarHBondContact O-N 2.89Å
85	E	84.2	Confident	80.2	Confident	78 Å²	78	53.9 Å²	53.9	36%	0.364	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-77.6	148.6	168.4	66.6	-94	132.4	0	0	111.8	G81 S83	G81-E85 PolarHBondContact N-O 3.37Å; S83-E85 WeakPolarHBondContact CB-OE1 3.47Å; S83-E85 WeakPolarHBondContact CB-OE2 3.38Å; S83-E85 PolarHBondContact OG-OE1 3.36Å; S83-E85 PolarHBondContact OG-OE2 3.49Å
86	A	89.6	Confident	78.5	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.008	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	145.6	170.5	0	0	0	0	0	111	V50 V65 M78 K79 L80	V50-A86 HydrophobicContact CB-CB 4.2Å; V50-A86 HydrophobicContact CG1-CB 4.48Å; V50-A86 PolarHBondContact O-N 3.01Å; V65-A86 HydrophobicContact CG2-CB 3.93Å; M78-A86 HydrophobicContact CB-CB 4.02Å; M78-A86 HydrophobicContact CE-CB 3.95Å; M78-A86 HydrophobicContact CG-CB 4.48Å; M78-A86 HydrophobicContact SD-CB 3.69Å; K79-A86 WeakPolarHBondContact O-CA 3.42Å; L80-A86 HydrophobicContact CD1-CB 4.44Å
87	F	91.1	Very high	77	Confident	20 Å²	20	58.9 Å²	58.9	9%	0.088	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	148.4	176.4	54.6	-97.3	0	0	0	111.4	M78 K79 V89 T105 K589 L591	M78-F87 CarbonylContact C-O 3.52Å; M78-F87 WeakPolarHBondContact CA-O 3.36Å; M78-F87 WeakPolarHBondContact CB-O 3.13Å; K79-F87 HydrophobicContact CB-CD2 4.38Å; K79-F87 HydrophobicContact CB-CE2 3.74Å; K79-F87 HydrophobicContact CB-CZ 3.99Å; K79-F87 PolarHBondContact N-O 2.72Å; K79-F87 PolarHBondContact O-N 3.01Å; F87-V89 HydrophobicContact CD2-CG2 4.21Å; F87-V89 HydrophobicContact CE2-CG2 3.96Å; F87-T105 HydrophobicContact CE2-CG2 3.82Å; F87-T105 HydrophobicContact CZ-CG2 4.4Å; F87-K589 HydrophobicContact CB-CB 4.39Å; F87-K589 HydrophobicContact CD1-CD 4.22Å; F87-K589 HydrophobicContact CD1-CG 4.47Å; F87-K589 HydrophobicContact CD2-CB 4.01Å; F87-K589 HydrophobicContact CD2-CD 4.21Å; F87-K589 HydrophobicContact CD2-CG 3.61Å; F87-K589 HydrophobicContact CE1-CD 4.15Å; F87-K589 HydrophobicContact CE2-CD 4.16Å; F87-K589 HydrophobicContact CE2-CG 3.71Å; F87-K589 HydrophobicContact CG-CB 4.21Å; F87-K589 HydrophobicContact CG-CD 4.26Å; F87-K589 HydrophobicContact CG-CG 4.02Å; F87-K589 HydrophobicContact CZ-CD 4.13Å; F87-K589 HydrophobicContact CZ-CG 4.19Å; F87-L591 HydrophobicContact CB-CD2 3.93Å
88	F	92.2	Very high	75.8	Confident	5 Å²	5	62.1 Å²	62.1	2%	0.022	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	150.3	168	-57.3	-71.1	0	0	0	110	F48 I67 L76 M78 K589 S590 L593	F48-F88 HydrophobicContact CB-CE2 3.76Å; F48-F88 HydrophobicContact CB-CZ 4.28Å; F48-F88 HydrophobicContact CD1-CE2 4.06Å; F48-F88 AromaticContact CD1-CZ 3.84Å; F48-F88 HydrophobicContact CD1-CZ 3.84Å; F48-F88 AromaticContact CD2-CE2 3.79Å; F48-F88 HydrophobicContact CD2-CE2 3.79Å; F48-F88 HydrophobicContact CD2-CZ 4.31Å; F48-F88 HydrophobicContact CE1-CZ 4.22Å; F48-F88 HydrophobicContact CE2-CE2 4.39Å; F48-F88 AromaticContact CG-CE2 3.61Å; F48-F88 HydrophobicContact CG-CE2 3.61Å; F48-F88 AromaticContact CG-CZ 3.9Å; F48-F88 HydrophobicContact CG-CZ 3.9Å; I67-F88 HydrophobicContact CD1-CE1 3.83Å; I67-F88 HydrophobicContact CD1-CZ 4.3Å; L76-F88 HydrophobicContact CD1-CD1 4.12Å; L76-F88 HydrophobicContact CD1-CE1 4.21Å; L76-F88 HydrophobicContact CD2-CE1 3.86Å; L76-F88 HydrophobicContact CD2-CZ 4.41Å; L76-F88 HydrophobicContact CG-CD1 4.3Å; L76-F88 HydrophobicContact CG-CE1 3.91Å; M78-F88 HydrophobicContact CE-CD1 4.47Å; M78-F88 HydrophobicContact CE-CD2 4.19Å; M78-F88 HydrophobicContact CE-CE1 4.19Å; M78-F88 HydrophobicContact CE-CE2 3.89Å; M78-F88 HydrophobicContact CE-CG 4.47Å; M78-F88 HydrophobicContact CE-CZ 3.88Å; M78-F88 HydrophobicContact CG-CD1 3.93Å; M78-F88 HydrophobicContact CG-CE1 3.66Å; M78-F88 HydrophobicContact CG-CZ 4.23Å; M78-F88 HydrophobicContact SD-CE1 4.37Å; M78-F88 HydrophobicContact SD-CZ 4.36Å; F88-K589 WeakPolarHBondContact O-CA 3.47Å; F88-S590 PolarHBondContact N-O 3.43Å; F88-S590 PolarHBondContact O-N 2.85Å; F88-L593 HydrophobicContact CD1-CD2 3.84Å; F88-L593 HydrophobicContact CD2-CD2 3.72Å; F88-L593 HydrophobicContact CD2-CG 4.24Å; F88-L593 HydrophobicContact CE1-CD2 3.77Å; F88-L593 HydrophobicContact CE1-CG 4.47Å; F88-L593 HydrophobicContact CE2-CD1 4.34Å; F88-L593 HydrophobicContact CE2-CD2 3.64Å; F88-L593 HydrophobicContact CE2-CG 3.77Å; F88-L593 HydrophobicContact CG-CD2 3.81Å; F88-L593 HydrophobicContact CZ-CD1 4.03Å; F88-L593 HydrophobicContact CZ-CD2 3.68Å; F88-L593 HydrophobicContact CZ-CG 3.91Å
89	V	87.6	Confident	74.3	Confident	41 Å²	41	63 Å²	63	25%	0.248	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.3	169.4	-179.6	0	0	0	0	107.7	K79 F87 T105 Y587	K79-V89 HydrophobicContact CB-CG2 4.26Å; K79-V89 HydrophobicContact CD-CG2 3.65Å; K79-V89 HydrophobicContact CG-CG2 3.83Å; F87-V89 HydrophobicContact CD2-CG2 4.21Å; F87-V89 HydrophobicContact CE2-CG2 3.96Å; V89-T105 HydrophobicContact CG2-CG2 4.33Å; V89-Y587 HydrophobicContact CG1-CD1 3.64Å; V89-Y587 HydrophobicContact CG1-CG 4.01Å
90	Q	83.1	Confident	72.9	Confident	74 Å²	74	62.1 Å²	62.1	35%	0.346	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.6	176.9	174.7	171.6	16.2	0	0	108.9	Y587 K588	Q90-Y587 WeakPolarHBondContact O-CA 3.23Å; Q90-K588 HydrophobicContact CB-CG 4.04Å; Q90-K588 VanDerWaalsContact CD-CE 3.47Å; Q90-K588 HydrophobicContact CG-CG 4.35Å; Q90-K588 PolarHBondContact N-O 3.16Å; Q90-K588 PolarHBondContact O-N 3.3Å; Q90-K588 VanDerWaalsContact OE1-CE 3.27Å
91	E	77.9	Confident	71.6	Confident	87 Å²	87	67.5 Å²	67.5	41%	0.407	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	142.6	167	-159.2	152.7	143.3	0	0	109.6	P585 Y587	E91-P585 VanDerWaalsContact CD-CB 3.49Å; E91-P585 HydrophobicContact CG-CB 3.63Å; E91-P585 VanDerWaalsContact OE1-CB 3.23Å; E91-P585 WeakPolarHBondContact OE1-CB 3.35Å; E91-Y587 HydrophobicContact CB-CD1 4.04Å; E91-Y587 HydrophobicContact CB-CE1 3.66Å; E91-Y587 HydrophobicContact CG-CD1 4.22Å; E91-Y587 HydrophobicContact CG-CE1 3.61Å; E91-Y587 WeakPolarHBondContact OE2-CE1 3.42Å; E91-Y587 VanDerWaalsContact OE2-CZ 3.22Å; E91-Y587 PolarHBondContact OE2-OH 3.18Å
92	L	69.7	Low	70.7	Confident	11 Å²	11	76 Å²	76	6%	0.058	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	100.4	-170.9	-152.7	176.1	0	0	0	109.3	S94 E97 V99 Y583 T586 K588	L92-S94 WeakPolarHBondContact CD2-O 3.11Å; L92-E97 HydrophobicContact CD1-CB 4.13Å; L92-E97 HydrophobicContact CD2-CB 4.13Å; L92-E97 HydrophobicContact CD2-CG 4.25Å; L92-V99 HydrophobicContact CD1-CG2 3.3Å; L92-Y583 PolarHBondContact O-OH 3.08Å; L92-T586 WeakPolarHBondContact CB-O 3.35Å; L92-T586 HydrophobicContact CD1-CG2 4.34Å; L92-T586 PolarHBondContact N-O 3.11Å; L92-K588 HydrophobicContact CD1-CD 3.82Å; L92-K588 HydrophobicContact CD1-CG 4.39Å; L92-K588 HydrophobicContact CG-CD 4.14Å
93	D	59.8	Low	70.2	Confident	122 Å²	122	75.9 Å²	75.9	65%	0.652	39%	0.393	S	S	*	.			trans	-72.1	124.1	173.8	-55	-55.6	0	0	0	110.2
94	S	56.7	Low	69.5	Low	76 Å²	76	75.4 Å²	75.4	53%	0.531	39%	0.39	S	S	.	.	S	Bend	trans	83.8	137.9	179.8	-32.3	0	0	0	0	116.3	L92 E96	L92-S94 WeakPolarHBondContact CD2-O 3.11Å; S94-E96 PolarHBondContact O-N 2.98Å
95	D	56.1	Low	68.8	Low	154 Å²	154	75.8 Å²	75.8	82%	0.824	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	15.1	178.4	-56.8	-69	0	0	0	114.6
96	E	53.6	Low	67.1	Low	183 Å²	183	74.4 Å²	74.4	86%	0.855	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-5.6	-167	-66.7	-85.7	116.7	0	0	114	S94	S94-E96 PolarHBondContact O-N 2.98Å
97	E	59.6	Low	65.3	Low	108 Å²	108	77.9 Å²	77.9	51%	0.505	41%	0.413	S	S	.	.	S	Bend	trans	-102.3	113.8	171.7	-71.8	-168.6	180	0	0	111.8	L92 V99 K588	L92-E97 HydrophobicContact CD1-CB 4.13Å; L92-E97 HydrophobicContact CD2-CB 4.13Å; L92-E97 HydrophobicContact CD2-CG 4.25Å; E97-V99 PolarHBondContact O-N 3.24Å; E97-K588 IonicContact OE1-NZ 3.22Å; E97-K588 PolarHBondContact OE1-NZ 3.01Å; E97-K588 VanDerWaalsContact OE1-NZ 3.09Å; E97-K588 IonicContact OE2-NZ 3.88Å; E97-K588 PolarHBondContact OE2-NZ 2.71Å
98	D	62.5	Low	63.6	Low	157 Å²	157	81.7 Å²	81.7	84%	0.84	43%	0.433	S	S	*	.			trans	-68.1	99.1	167.6	177.5	26.5	0	0	0	110.4	P100	D98-P100 WeakPolarHBondContact O-CD 3.36Å
99	V	59	Low	61.3	Low	21 Å²	21	84.4 Å²	84.4	13%	0.127	45%	0.451	C	S	.	.			trans	-85.3	115.6	179.9	-177.7	0	0	0	0	110.2	L92 E97 L103 K588	L92-V99 HydrophobicContact CD1-CG2 3.3Å; E97-V99 PolarHBondContact O-N 3.24Å; V99-L103 HydrophobicContact CG1-CB 3.81Å; V99-K588 HydrophobicContact CG1-CB 4.21Å
100	P	60.3	Low	59.2	Low	48 Å²	48	94.6 Å²	94.6	31%	0.312	49%	0.486	S	S	.	.			trans	-57.5	131.1	177.5	-26.1	35.3	0	0	0	111.2	D98 R102 L103	D98-P100 WeakPolarHBondContact O-CD 3.36Å; P100-R102 HydrophobicContact CB-CG 4.28Å; P100-R102 PolarHBondContact O-N 3.39Å; P100-L103 WeakPolarHBondContact O-CB 3.41Å; P100-L103 PolarHBondContact O-N 3.45Å
101	P	57.2	Low	57	Low	116 Å²	116	94.2 Å²	94.2	75%	0.753	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-25.2	-168	-33.1	35.7	0	0	0	116.9	L103 C104	P101-L103 PolarHBondContact O-N 2.9Å; P101-C104 PolarHBondContact O-N 2.93Å
102	R	60	Low	55.1	Low	187 Å²	187	93.1 Å²	93.1	71%	0.706	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.2	172.6	64.6	-169	173.6	-145	-5.5	114.2	P100 K589	P100-R102 HydrophobicContact CB-CG 4.28Å; P100-R102 PolarHBondContact O-N 3.39Å; R102-K589 PolarHBondContact O-NZ 2.75Å
103	L	64.3	Low	53.7	Low	69 Å²	69	99.7 Å²	99.7	36%	0.361	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-12.8	-180	-60.7	-173.9	0	0	0	113.6	V99 P100 P101 K588 K589	V99-L103 HydrophobicContact CG1-CB 3.81Å; P100-L103 WeakPolarHBondContact O-CB 3.41Å; P100-L103 PolarHBondContact O-N 3.45Å; P101-L103 PolarHBondContact O-N 2.9Å; L103-K588 CarbonylContact O-C 3.56Å; L103-K588 WeakPolarHBondContact O-CA 3.22Å; L103-K589 HydrophobicContact CD2-CB 4.48Å; L103-K589 WeakPolarHBondContact O-CG 3.38Å; L103-K589 PolarHBondContact O-N 2.83Å
104	C	55.9	Low	52.5	Low	23 Å²	23	99.8 Å²	99.8	16%	0.155	56%	0.559	C	S	.	*	B	Isolated β-bridge	trans	-66.4	148.6	174.9	-52.8	0	0	0	0	111.1	P101 I108 K589	P101-C104 PolarHBondContact O-N 2.93Å; C104-I108 HydrophobicContact CB-CG1 4.41Å; C104-K589 VanDerWaalsContact O-CE 3.26Å; C104-K589 WeakPolarHBondContact O-CE 3.41Å; C104-K589 PolarHBondContact O-NZ 3.07Å
105	T	63.5	Low	51.4	Low	10 Å²	10	99.2 Å²	99.2	6%	0.061	57%	0.565	C	S	.	*			trans	-121	172.5	168.6	62.5	0	0	0	0	111.7	F87 V89 P107 I108 Y587 K589	F87-T105 HydrophobicContact CE2-CG2 3.82Å; F87-T105 HydrophobicContact CZ-CG2 4.4Å; V89-T105 HydrophobicContact CG2-CG2 4.33Å; T105-P107 CarbonylContact O-C 3.34Å; T105-P107 VanDerWaalsContact O-O 3.07Å; T105-I108 PolarHBondContact O-N 2.57Å; T105-Y587 PolarHBondContact N-O 3.12Å; T105-Y587 VanDerWaalsContact N-O 3.08Å; T105-Y587 WeakPolarHBondContact OG1-CB 3.09Å; T105-K589 HydrophobicContact CG2-CD 4.22Å; T105-K589 HydrophobicContact CG2-CG 3.42Å; T105-K589 VanDerWaalsContact CG2-CG 3.42Å
106	S	50.3	Low	50.4	Low	49 Å²	49	99.5 Å²	99.5	34%	0.343	56%	0.559	S	S	.	*	S	Bend	trans	-63.5	133.7	170.3	33	0	0	0	0	111.5	E62	E62-S106 WeakPolarHBondContact OE1-CB 3.27Å; E62-S106 PolarHBondContact OE1-OG 2.86Å
107	P	51.1	Low	49.5	Very low	75 Å²	75	95.9 Å²	95.9	49%	0.487	55%	0.551	S	S	.	*	S	Bend	cis	-74	134.7	-9	-11	28.8	0	0	0	112.1	T105	T105-P107 CarbonylContact O-C 3.34Å; T105-P107 VanDerWaalsContact O-O 3.07Å
108	I	54.6	Low	48.2	Very low	99 Å²	99	95.8 Å²	95.8	51%	0.508	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-81.2	129.2	169.7	-58.6	174.5	0	0	0	107.1	C104 T105 W110	C104-I108 HydrophobicContact CB-CG1 4.41Å; T105-I108 PolarHBondContact O-N 2.57Å; I108-W110 PolarHBondContact O-N 2.94Å
109	P	45.5	Very low	46.9	Very low	62 Å²	62	96.4 Å²	96.4	40%	0.403	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-61.6	120.9	179.6	23	-32.9	0	0	0	111.4	G111	P109-G111 VanDerWaalsContact C-N 3.33Å; P109-G111 PolarHBondContact O-N 3.29Å
110	W	43	Very low	45.8	Very low	255 Å²	255	99.3 Å²	99.3	97%	0.966	59%	0.587	S	S	*	*			trans	-92.6	60.8	177.5	-76.6	15.4	0	0	0	110.9	I108	I108-W110 PolarHBondContact O-N 2.94Å
111	G	37.4	Very low	44.4	Very low	66 Å²	66	106 Å²	106	68%	0.68	61%	0.614	S	S	*	*			trans	-169.1	138.8	175.9	0	0	0	0	0	111.2	P109	P109-G111 VanDerWaalsContact C-N 3.33Å; P109-G111 PolarHBondContact O-N 3.29Å
112	G	37.4	Very low	43.3	Very low	65 Å²	65	109.1 Å²	109.1	67%	0.67	62%	0.623	S	S	*	*			trans	122.1	-24.2	175.3	0	0	0	0	0	116.1	S114	G112-S114 PolarHBondContact O-N 3.19Å; G112-S114 VanDerWaalsContact O-N 3.07Å
113	L	40.6	Very low	41.9	Very low	148 Å²	148	102.9 Å²	102.9	78%	0.775	62%	0.617	S	S	*	*			trans	-74.6	3.5	-175.2	-59.7	179.1	0	0	0	115.2	G115 F116	L113-G115 PolarHBondContact O-N 3.3Å; L113-G115 VanDerWaalsContact O-N 3.1Å; L113-F116 HydrophobicContact CD2-CE2 3.96Å
114	S	33.7	Very low	40.3	Very low	124 Å²	124	107 Å²	107	87%	0.867	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	51	175.8	59.5	0	0	0	0	112.4	G112	G112-S114 PolarHBondContact O-N 3.19Å; G112-S114 VanDerWaalsContact O-N 3.07Å
115	G	34.3	Very low	39.2	Very low	64 Å²	64	110.5 Å²	110.5	66%	0.66	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.9	-3.9	-174.5	0	0	0	0	0	116.1	L113	L113-G115 PolarHBondContact O-N 3.3Å; L113-G115 VanDerWaalsContact O-N 3.1Å
116	F	35	Very low	37.9	Very low	160 Å²	160	115.7 Å²	115.7	70%	0.702	71%	0.712	S	S	*	*			trans	-82	124.4	176.3	-67.8	-80	0	0	0	110.5	L113 S118	L113-F116 HydrophobicContact CD2-CE2 3.96Å; F116-S118 PolarHBondContact O-N 3.12Å
117	P	34.8	Very low	37.1	Very low	108 Å²	108	121.9 Å²	121.9	70%	0.701	74%	0.736	S	S	*	*			trans	-64.2	130	174.9	27.1	-33.1	0	0	0	109.5	D119	P117-D119 PolarHBondContact O-N 3.09Å
118	S	32.1	Very low	36.6	Very low	106 Å²	106	123.2 Å²	123.2	74%	0.741	74%	0.744	S	S	*	*			trans	-76.2	104.7	167.8	-67	0	0	0	0	108.2	F116 S120	F116-S118 PolarHBondContact O-N 3.12Å; S118-S120 PolarHBondContact O-N 3.4Å
119	D	33.9	Very low	35.8	Very low	169 Å²	169	127.8 Å²	127.8	90%	0.904	76%	0.763	S	S	*	*			trans	-68.2	72.2	174.9	-86.3	-27.2	0	0	0	111.1	P117	P117-D119 PolarHBondContact O-N 3.09Å
120	S	35.9	Very low	35.1	Very low	82 Å²	82	128.6 Å²	128.6	57%	0.573	78%	0.783	S	S	*	*			trans	-146.6	101.5	178.8	60.6	0	0	0	0	111.3	S118	S118-S120 PolarHBondContact O-N 3.4Å
121	Q	31.6	Very low	34.8	Very low	190 Å²	190	125 Å²	125	89%	0.888	78%	0.782	S	S	*	*			trans	65.5	83	156.7	-53.7	-179.9	53.4	0	0	117.8
122	I	33.9	Very low	34.4	Very low	180 Å²	180	127.4 Å²	127.4	92%	0.923	78%	0.783	S	S	*	*			trans	-128.1	139.9	139.2	-59.9	-178.6	0	0	0	107
123	G	32	Very low	34.6	Very low	57 Å²	57	132.5 Å²	132.5	59%	0.588	79%	0.793	S	S	*	*			trans	-158.8	167.9	-178.7	0	0	0	0	0	113.7
124	T	29.8	Very low	34.1	Very low	156 Å²	156	131.9 Å²	131.9	96%	0.957	80%	0.796	S	S	*	*			trans	60.6	142.9	-174.6	36.7	0	0	0	0	115.6
125	A	32.3	Very low	34.1	Very low	95 Å²	95	129.8 Å²	129.8	79%	0.785	79%	0.794	S	S	*	*			cis	-124.8	171.9	2.7	0	0	0	0	0	109.8
126	S	35.8	Very low	34.2	Very low	119 Å²	119	138.9 Å²	138.9	83%	0.832	81%	0.808	S	S	*	*			cis	-148.7	160.8	26.4	56.3	0	0	0	0	115.3
127	E	35.4	Very low	34.1	Very low	180 Å²	180	143.1 Å²	143.1	84%	0.841	82%	0.82	S	S	*	*			trans	-78.9	178.9	179.5	-89.9	-161.9	144	0	0	115.3
128	P	40.1	Very low	34.2	Very low	103 Å²	103	148.1 Å²	148.1	67%	0.669	83%	0.83	S	S	*	*			cis	-140.4	-169.1	-29.3	36.8	-18	0	0	0	114.7
129	E	36.8	Very low	34.2	Very low	194 Å²	194	155 Å²	155	91%	0.907	84%	0.84	S	S	*	*			trans	119	113.1	163.5	-69.8	-175	-167.7	0	0	110.8
130	G	31.6	Very low	34.4	Very low	79 Å²	79	159 Å²	159	81%	0.814	84%	0.843	S	S	*	*			cis	121.2	95.7	32.9	0	0	0	0	0	107.1
131	L	36.4	Very low	34.3	Very low	179 Å²	179	167.2 Å²	167.2	94%	0.937	86%	0.861	S	S	*	*				-166.8	157.5	96	-169.8	62.4	0	0	0	111.7
132	V	29.6	Very low	34.5	Very low	117 Å²	117	170.3 Å²	170.3	71%	0.709	86%	0.864	S	S	*	*			trans	-109.1	148.1	-172.2	173.1	0	0	0	0	112.2
133	I	40.2	Very low	34.7	Very low	172 Å²	172	173.5 Å²	173.5	88%	0.882	87%	0.865	S	S	*	*			trans	-169.5	152.9	136.4	-99.3	152.8	0	0	0	111.5
134	T	29.9	Very low	35	Very low	136 Å²	136	180.7 Å²	180.7	83%	0.834	88%	0.88	S	S	*	*			trans	-111.6	155.4	-167.2	62.4	0	0	0	0	113.8
135	G	35.2	Very low	35.4	Very low	80 Å²	80	179.1 Å²	179.1	83%	0.825	87%	0.872	S	S	*	*			trans	-153.5	120.4	177.1	0	0	0	0	0	114.2
136	R	36.9	Very low	35.3	Very low	254 Å²	254	186.2 Å²	186.2	96%	0.958	88%	0.879	S	S	*	*			trans	-86.2	135.2	-174.8	-76	173.1	161.7	171.1	-6.5	113.6
137	R	31.2	Very low	35.2	Very low	250 Å²	250	191.7 Å²	191.7	94%	0.943	88%	0.881	S	S	*	*			trans	-71.4	141.2	161.4	-78.2	179.6	166.1	178.6	-3.7	111.5
138	K	38.4	Very low	35.2	Very low	213 Å²	213	192.6 Å²	192.6	93%	0.926	88%	0.877	S	S	*	*			trans	-150.6	136.1	157.2	-133.4	173.9	-173.1	177.3	0	112.4
139	R	31.7	Very low	34.9	Very low	249 Å²	249	194.6 Å²	194.6	94%	0.94	88%	0.877	S	S	*	*			trans	-64.3	147.6	179.2	-73.8	170.3	159.2	172.9	-7.5	112.3
140	R	36.9	Very low	35.1	Very low	255 Å²	255	193.6 Å²	193.6	96%	0.962	87%	0.873	S	S	*	*			trans	-136	144.7	156.3	-97	-172.6	167.6	-171.9	-3.6	111.9
141	R	35.6	Very low	35.4	Very low	254 Å²	254	196.9 Å²	196.9	96%	0.958	87%	0.872	S	S	*	*			trans	-84.8	145.3	175.3	-69.8	172.8	167.7	162.8	-6.2	110
142	R	35.5	Very low	35.6	Very low	254 Å²	254	192.9 Å²	192.9	96%	0.958	86%	0.864	S	S	*	*			trans	-75.3	136.5	170.9	-82.7	-178.9	166.4	175.9	-4.8	111.5
143	R	37.3	Very low	36.4	Very low	247 Å²	247	193.2 Å²	193.2	93%	0.932	87%	0.866	S	S	*	*			trans	-137.5	154.2	154.1	-87.2	-169.7	168.3	-170.6	-3.7	108.1
144	K	38.9	Very low	36.3	Very low	209 Å²	209	192.5 Å²	192.5	91%	0.909	86%	0.864	S	S	*	*			trans	-66.5	142	-175.5	-80.3	179.1	169.4	178.1	0	112.6
145	P	37.9	Very low	37.3	Very low	123 Å²	123	191.1 Å²	191.1	80%	0.799	86%	0.86	S	S	*	*			trans	-88.3	161.3	161.6	36.5	-33.3	0	0	0	112.1
146	R	30	Very low	37.7	Very low	243 Å²	243	192.1 Å²	192.1	92%	0.917	86%	0.855	S	S	*	*			trans	-164.9	147	165.1	-135.6	-177	-177.5	-165.8	-1.1	108.7
147	R	34.3	Very low	37.9	Very low	235 Å²	235	184 Å²	184	89%	0.887	84%	0.837	S	S	*	*			trans	68.6	152.6	174.1	-78.6	-176.8	171.7	176.7	-4.2	115.1
148	R	34.2	Very low	38.4	Very low	199 Å²	199	180.2 Å²	180.2	75%	0.751	83%	0.83	S	S	*	*			cis	-170.6	118.8	-5.6	165.2	174.5	-157.1	-138.3	-11	107.2
149	E	34.9	Very low	38.5	Very low	145 Å²	145	177.4 Å²	177.4	68%	0.678	82%	0.82	S	S	*	*				86.8	177.7	105.5	-158.1	165.3	-111.3	0	0	113
150	E	40.4	Very low	38.9	Very low	172 Å²	172	172 Å²	172	80%	0.804	81%	0.809	S	S	*	*			trans	75	129.5	-168.7	-56.9	161.4	-157.5	0	0	114.1
151	D	39.1	Very low	38.9	Very low	149 Å²	149	167.6 Å²	167.6	80%	0.797	80%	0.799	S	S	*	*			cis	-160.6	152.8	-6.9	-107	-19.6	0	0	0	113.9
152	A	40.1	Very low	38.9	Very low	94 Å²	94	160 Å²	160	78%	0.777	79%	0.791	S	S	*	*			trans	62.7	156.3	162.2	0	0	0	0	0	119.9
153	V	45.2	Very low	38.9	Very low	125 Å²	125	151.2 Å²	151.2	76%	0.758	78%	0.78	S	S	*	*			cis	-144.7	148.9	7.3	-169.7	0	0	0	0	109.7
154	D	39.1	Very low	38.9	Very low	156 Å²	156	143.8 Å²	143.8	83%	0.834	77%	0.771	S	S	*	*			trans	60.5	146.9	163.3	-83.3	-20.6	0	0	0	119.7
155	S	50.3	Low	39	Very low	108 Å²	108	142.7 Å²	142.7	76%	0.755	77%	0.769	S	S	*	*			cis	-151.5	170	-1.1	-161.4	0	0	0	0	112.6
156	S	43.5	Very low	39	Very low	101 Å²	101	141.8 Å²	141.8	71%	0.706	77%	0.766	S	S	*	*			trans	-35.1	159.4	174.6	-120.1	0	0	0	0	119.2
157	S	41	Very low	39.3	Very low	83 Å²	83	138.1 Å²	138.1	58%	0.58	76%	0.759	S	S	*	*			cis	-155.2	154.6	10.3	-67.2	0	0	0	0	113.3
158	E	42.3	Very low	39.4	Very low	171 Å²	171	133 Å²	133	80%	0.799	75%	0.749	S	S	*	*				53.7	142.9	129.1	-63.9	163.8	176.5	0	0	122
159	E	40.3	Very low	39.3	Very low	153 Å²	153	128.5 Å²	128.5	72%	0.715	74%	0.743	S	S	*	*			cis	-155	153	-1.5	-112.5	-160.6	153.5	0	0	112.1
160	L	39.9	Very low	39.4	Very low	135 Å²	135	129 Å²	129	71%	0.707	75%	0.75	S	S	*	*			trans	37.3	154.6	140	-53.7	-179.7	0	0	0	123.1
161	E	37.4	Very low	39.1	Very low	163 Å²	163	127 Å²	127	76%	0.762	74%	0.744	S	S	*	*			cis	-169.4	171.2	-24.2	-111.6	-66.6	171.3	0	0	107.9
162	A	36.4	Very low	39	Very low	94 Å²	94	128 Å²	128	78%	0.777	74%	0.744	S	S	*	*			trans	29.3	152.2	157.4	0	0	0	0	0	123
163	G	34.4	Very low	38.8	Very low	71 Å²	71	132.6 Å²	132.6	73%	0.732	75%	0.746	S	S	*	*			cis	153.1	150.8	-1.1	0	0	0	0	0	112.6
164	A	38.1	Very low	38.4	Very low	90 Å²	90	132.1 Å²	132.1	74%	0.744	75%	0.746	S	S	*	*			trans	62.1	110.6	160.5	0	0	0	0	0	122.6
165	E	39.4	Very low	38	Very low	186 Å²	186	130.5 Å²	130.5	87%	0.869	74%	0.741	S	S	*	*				67.1	119.5	118.3	-65.6	173.5	-142.7	0	0	124.6
166	S	38.2	Very low	37.4	Very low	105 Å²	105	130.3 Å²	130.3	73%	0.734	74%	0.738	S	S	*	*				104.3	147.9	127.6	-135.2	0	0	0	0	122.5
167	E	36.1	Very low	37	Very low	165 Å²	165	134.5 Å²	134.5	77%	0.771	75%	0.746	S	S	*	*			trans	58.4	151.1	160.3	-67	-159.8	86	0	0	121.3
168	L	36.9	Very low	36.5	Very low	129 Å²	129	136 Å²	136	68%	0.675	76%	0.757	S	S	*	*			cis	-161.3	145.9	-33.8	-154.1	83.9	0	0	0	110.4
169	T	32.4	Very low	36.3	Very low	104 Å²	104	133.4 Å²	133.4	64%	0.638	76%	0.755	S	S	*	*			trans	54.1	124.9	152.9	42.8	0	0	0	0	124.4
170	L	36.2	Very low	35.8	Very low	154 Å²	154	131.4 Å²	131.4	81%	0.806	76%	0.758	S	S	*	*			trans	69.2	157	138.5	-54.6	168.4	0	0	0	117.8
171	L	35.4	Very low	35.6	Very low	130 Å²	130	129 Å²	129	68%	0.681	76%	0.757	S	S	*	*			cis	-150.1	159.6	11.2	-162.4	76.3	0	0	0	111.9
172	E	36.2	Very low	35.6	Very low	170 Å²	170	128.9 Å²	128.9	79%	0.794	76%	0.757	S	S	*	*			trans	63	113.5	152.4	-90	167.7	178.9	0	0	125.3
173	K	37.2	Very low	35.5	Very low	192 Å²	192	132.3 Å²	132.3	84%	0.835	76%	0.757	S	S	*	*				1.9	167.1	127.3	-102.1	-171.6	166.5	-173.1	0	121.4
174	P	36	Very low	35.5	Very low	114 Å²	114	133 Å²	133	74%	0.74	76%	0.755	S	S	*	*			cis	-138.2	-173.3	4.2	35.1	-11.8	0	0	0	117.9
175	T	30.4	Very low	35.3	Very low	122 Å²	122	137.5 Å²	137.5	75%	0.748	76%	0.761	S	S	*	*			trans	-61.5	163.8	175.3	-11.9	0	0	0	0	115.5
176	P	37.6	Very low	35.1	Very low	105 Å²	105	137.2 Å²	137.2	68%	0.682	76%	0.759	S	S	*	*				-150.6	155.6	88.2	40.9	-23.2	0	0	0	119
177	E	34.9	Very low	35.1	Very low	188 Å²	188	136.5 Å²	136.5	88%	0.879	75%	0.753	S	S	*	*			trans	58.3	144.3	137	-67.1	161.4	-162.1	0	0	125
178	S	30.6	Very low	34.7	Very low	116 Å²	116	133.9 Å²	133.9	81%	0.811	75%	0.752	S	S	*	*			trans	-107	166.8	174.3	-35.5	0	0	0	0	110.7
179	P	37.6	Very low	34.7	Very low	116 Å²	116	133.6 Å²	133.6	75%	0.753	76%	0.761	S	S	*	*				-159.5	166.6	87.3	42.9	-23.1	0	0	0	119.1
180	S	31	Very low	35	Very low	111 Å²	111	137.2 Å²	137.2	78%	0.776	77%	0.771	S	S	*	*			trans	28.2	131.4	147	63	0	0	0	0	124
181	A	35.5	Very low	35.2	Very low	84 Å²	84	134.8 Å²	134.8	69%	0.694	76%	0.764	S	S	*	*				171.9	140	99.7	0	0	0	0	0	116.3
182	Q	36.9	Very low	35.3	Very low	161 Å²	161	135.4 Å²	135.4	75%	0.752	76%	0.761	S	S	*	*			trans	60.5	134.7	144.8	-74.6	165.2	-103.2	0	0	125.5
183	E	34.4	Very low	35.5	Very low	166 Å²	166	131.6 Å²	131.6	78%	0.776	75%	0.746	S	S	*	*			trans	67.2	147.2	145	-69.1	153.1	-136.1	0	0	121.2
184	A	33.8	Very low	35.5	Very low	84 Å²	84	127.5 Å²	127.5	69%	0.694	73%	0.733	S	S	*	*			cis	-166.8	169.5	-24.1	0	0	0	0	0	111.8
185	E	34.9	Very low	35.6	Very low	186 Å²	186	128.6 Å²	128.6	87%	0.869	73%	0.728	S	S	*	*			trans	70.2	100.1	160.4	-50.2	-164.5	156.7	0	0	122.6
186	E	34.6	Very low	36.4	Very low	179 Å²	179	127.2 Å²	127.2	84%	0.836	72%	0.72	S	S	*	*				26.4	157.2	116.2	-69.9	-87.1	105.1	0	0	122.6
187	P	37.6	Very low	36.5	Very low	91 Å²	91	132.6 Å²	132.6	59%	0.591	73%	0.729	S	S	*	*				-144.2	176.7	-51.5	40.9	-22.2	0	0	0	115.5
188	S	29.3	Very low	36.8	Very low	110 Å²	110	127.5 Å²	127.5	77%	0.769	71%	0.714	S	S	*	*			trans	73.2	122.4	152.2	76.3	0	0	0	0	122.3
189	S	35.9	Very low	37.3	Very low	122 Å²	122	129.4 Å²	129.4	85%	0.853	72%	0.715	S	S	*	*			trans	-178.7	126.2	131.1	27.9	0	0	0	0	111.5
190	Q	39.5	Very low	37.5	Very low	181 Å²	181	127.7 Å²	127.7	85%	0.846	72%	0.719	S	S	*	*			trans	-99.6	-177	153.3	-57	-174.3	-94.1	0	0	107.9
191	P	39.4	Very low	37.6	Very low	102 Å²	102	132 Å²	132	66%	0.662	73%	0.726	S	S	*	*				-160.3	-166	77.1	39.9	-16.1	0	0	0	116.3
192	K	37.4	Very low	37.6	Very low	144 Å²	144	133.8 Å²	133.8	63%	0.626	73%	0.733	S	S	*	*			trans	100.7	113.9	140.8	-79.8	178.8	163.3	-78.5	0	124.2	A848	K192-A848 WeakPolarHBondContact CA-O 3.33Å; K192-A848 PolarHBondContact N-O 3.3Å
193	D	40.1	Very low	37.2	Very low	89 Å²	89	132.1 Å²	132.1	48%	0.476	73%	0.733	S	S	.	*				90	143.5	117.2	-67.7	-13.4	0	0	0	123.3
194	I	39	Very low	37.4	Very low	107 Å²	107	129.3 Å²	129.3	55%	0.549	73%	0.73	S	S	.	*			cis	-169	142.6	-31	-137.4	176.8	0	0	0	114.8
195	H	36.4	Very low	37.2	Very low	137 Å²	137	134.3 Å²	134.3	63%	0.634	74%	0.738	S	S	*	*			trans	59.1	-176.2	137.5	-88.1	-4.5	0	0	0	124.3
196	P	47.9	Very low	36.9	Very low	92 Å²	92	129.4 Å²	129.4	60%	0.597	73%	0.73	S	S	*	*			cis	-141.4	-176.6	-20.8	25.8	-0.7	0	0	0	118.6
197	Y	40.3	Very low	36.5	Very low	219 Å²	219	128.4 Å²	128.4	86%	0.859	73%	0.73	S	S	*	*			trans	79.2	141.5	160.7	-69.9	-84.5	0	0	0	120.8
198	S	40.6	Very low	36.1	Very low	80 Å²	80	131.9 Å²	131.9	56%	0.559	74%	0.743	S	S	*	*			cis	-173.6	140.9	-18.9	143	0	0	0	0	114.4
199	D	40.6	Very low	36	Very low	156 Å²	156	131.6 Å²	131.6	83%	0.834	74%	0.741	S	S	*	*			trans	46.7	143	142.2	-41.7	-40.2	0	0	0	125.5
200	G	42.6	Very low	35.7	Very low	81 Å²	81	131.6 Å²	131.6	84%	0.835	74%	0.741	S	S	*	*			trans	157.1	89.4	161.3	0	0	0	0	0	116.5
201	E	33.5	Very low	35.3	Very low	201 Å²	201	126.7 Å²	126.7	94%	0.939	74%	0.739	S	S	*	*			trans	-92.3	148.1	177.3	-59.1	-176.7	112.1	0	0	114.3
202	C	35	Very low	35	Very low	122 Å²	122	129.3 Å²	129.3	82%	0.824	75%	0.747	S	S	*	*			trans	-173.1	153.2	134.9	-153	0	0	0	0	113.2
203	T	28.6	Very low	35	Very low	125 Å²	125	129.7 Å²	129.7	77%	0.767	76%	0.756	S	S	*	*			trans	-154.4	175.5	170.3	70.8	0	0	0	0	109.5
204	P	38.6	Very low	34.7	Very low	108 Å²	108	133.6 Å²	133.6	70%	0.701	77%	0.773	S	S	*	*			cis	-132.7	-165.6	-14.5	27.4	-2.9	0	0	0	114.1
205	Q	28.4	Very low	34.5	Very low	188 Å²	188	133.4 Å²	133.4	88%	0.879	78%	0.781	S	S	*	*			trans	101.1	145.7	154.9	-58.1	-161	-74.1	0	0	121.7
206	A	30.3	Very low	34.7	Very low	83 Å²	83	132.9 Å²	132.9	69%	0.686	79%	0.79	S	S	*	*			trans	80.8	86.4	153.8	0	0	0	0	0	121.9
207	N	25.5	Very low	34.4	Very low	158 Å²	158	138.4 Å²	138.4	85%	0.845	81%	0.805	S	S	*	*				71.7	153.2	127.4	-60.2	-5.9	0	0	0	123.3
208	L	29.2	Very low	34.3	Very low	164 Å²	164	133.3 Å²	133.3	86%	0.859	80%	0.801	S	S	*	*			trans	81.6	104.8	163.6	-64.4	174	0	0	0	120.9
209	S	27.8	Very low	34.2	Very low	104 Å²	104	137.1 Å²	137.1	73%	0.727	82%	0.815	S	S	*	*			trans	66.4	122.9	134.5	-66.3	0	0	0	0	123.7
210	S	28.8	Very low	34.3	Very low	123 Å²	123	134.6 Å²	134.6	86%	0.86	81%	0.81	S	S	*	*				59.2	101.9	129.7	-52.1	0	0	0	0	119.8
211	G	32.4	Very low	34.1	Very low	78 Å²	78	139.7 Å²	139.7	80%	0.804	81%	0.812	S	S	*	*			trans	-133	104.6	164.3	0	0	0	0	0	111.4
212	D	32.1	Very low	34.4	Very low	156 Å²	156	137.8 Å²	137.8	83%	0.834	81%	0.807	S	S	*	*			trans	-83	133.8	-174.4	-143.1	-30.5	0	0	0	112.1
213	L	36.5	Very low	34.5	Very low	153 Å²	153	139.2 Å²	139.2	80%	0.801	80%	0.802	S	S	*	*			trans	-143.7	86.8	173.4	-81.1	-176.1	0	0	0	114.2
214	M	34.7	Very low	35	Very low	170 Å²	170	141.1 Å²	141.1	84%	0.837	81%	0.806	S	S	*	*			trans	60	104.5	139.8	-46.6	-164.1	86.1	0	0	118.7
215	S	34.6	Very low	34.8	Very low	104 Å²	104	145.7 Å²	145.7	73%	0.727	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-95.5	144	157.6	53.7	0	0	0	0	111.6
216	P	40.9	Very low	35	Very low	126 Å²	126	142.3 Å²	142.3	82%	0.818	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-77.6	151.3	178.2	31.6	-34.4	0	0	0	112.3
217	K	41.6	Very low	35.3	Very low	208 Å²	208	146 Å²	146	90%	0.904	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-70.5	148.7	-173.5	-66.2	-172.2	173.2	-167.8	0	113.5
218	S	39	Very low	35.7	Very low	112 Å²	112	147.2 Å²	147.2	78%	0.783	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-75	137	168.2	-169.2	0	0	0	0	110.7	S220	S218-S220 PolarHBondContact O-N 2.85Å
219	D	37.4	Very low	36.2	Very low	160 Å²	160	145.5 Å²	145.5	86%	0.856	81%	0.814	S	S	*	*	S	Bend	trans	-97.1	81.9	-175.3	-159.6	5.7	0	0	0	110.1
220	S	43.8	Very low	36.4	Very low	102 Å²	102	145.7 Å²	145.7	71%	0.713	82%	0.815	S	S	*	*			trans	-157.2	26.8	-172.9	-68.4	0	0	0	0	115.1	S218	S218-S220 PolarHBondContact O-N 2.85Å
221	E	38.1	Very low	36.8	Very low	189 Å²	189	145.3 Å²	145.3	88%	0.883	81%	0.809	S	S	*	*			trans	-124	131.4	171	-71.2	-162.8	123.3	0	0	112.2
222	L	39.9	Very low	36.8	Very low	160 Å²	160	149.9 Å²	149.9	84%	0.838	81%	0.814	S	S	*	*			trans	-102.3	92.8	178.2	-155	172.5	0	0	0	107.2	L224	L222-L224 PolarHBondContact O-N 3.49Å
223	E	36.1	Very low	37	Very low	153 Å²	153	153.9 Å²	153.9	72%	0.715	82%	0.818	S	S	*	*			trans	-57.2	96.8	-177.6	-77.2	-171.6	-171.3	0	0	111.9	R225	E223-R225 VanDerWaalsContact C-N 3.28Å; E223-R225 PolarHBondContact O-N 3.3Å; E223-R225 IonicContact OE2-NE 3.93Å
224	L	39.8	Very low	36.9	Very low	165 Å²	165	151.6 Å²	151.6	86%	0.864	82%	0.821	S	S	*	*			trans	-73.7	86.9	159.7	-77.2	174.6	0	0	0	108.4	L222 S226	L222-L224 PolarHBondContact O-N 3.49Å; L224-S226 PolarHBondContact O-N 2.87Å; L224-S226 VanDerWaalsContact O-N 3.12Å
225	R	33.7	Very low	37	Very low	203 Å²	203	151.4 Å²	151.4	77%	0.766	82%	0.818	S	S	*	*			trans	-58.7	115.8	171.9	-78.1	-169.8	169.3	-146.7	-5.7	110.5	E223 L227	E223-R225 VanDerWaalsContact C-N 3.28Å; E223-R225 PolarHBondContact O-N 3.3Å; E223-R225 IonicContact OE2-NE 3.93Å; R225-L227 PolarHBondContact O-N 3.2Å
226	S	33	Very low	37.4	Very low	117 Å²	117	150.5 Å²	150.5	82%	0.818	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-61.2	127.4	161.8	36.9	0	0	0	0	109.8	L224	L224-S226 PolarHBondContact O-N 2.87Å; L224-S226 VanDerWaalsContact O-N 3.12Å
227	L	36.4	Very low	37.7	Very low	161 Å²	161	152 Å²	152	84%	0.843	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-99.9	154.8	157.4	-94.8	83.6	0	0	0	108.9	R225	R225-L227 PolarHBondContact O-N 3.2Å
228	E	34.9	Very low	38.5	Very low	184 Å²	184	147.1 Å²	147.1	86%	0.86	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-62.9	147.6	-178.6	-64.8	174.7	107.9	0	0	112.7	S230	E228-S230 PolarHBondContact O-N 2.98Å; E228-S230 VanDerWaalsContact O-N 3.13Å
229	P	39.1	Very low	38.8	Very low	128 Å²	128	149.2 Å²	149.2	83%	0.831	79%	0.786	S	S	*	*			trans	-78.8	97.4	-176.8	31.7	-35	0	0	0	112.2
230	S	32.8	Very low	38.8	Very low	107 Å²	107	149.9 Å²	149.9	75%	0.748	78%	0.777	S	S	*	*			trans	-71.6	125.6	156.5	63.2	0	0	0	0	109.3	E228	E228-S230 PolarHBondContact O-N 2.98Å; E228-S230 VanDerWaalsContact O-N 3.13Å
231	P	35.5	Very low	39.6	Very low	115 Å²	115	149.9 Å²	149.9	75%	0.747	77%	0.772	S	S	*	*	S	Bend	trans	-67.2	169.2	179.9	28.3	-35.2	0	0	0	112.5
232	L	34	Very low	39.5	Very low	174 Å²	174	153.2 Å²	153.2	91%	0.911	78%	0.777	S	S	*	*			trans	85.4	52.7	177	-49.4	176.7	0	0	0	117.8
233	R	34.6	Very low	40.4	Very low	241 Å²	241	149.5 Å²	149.5	91%	0.909	78%	0.777	S	S	*	*			trans	-147.4	143.7	140.4	-129.3	172.1	-170.1	143.5	6.6	112.4
234	A	35	Very low	42	Very low	104 Å²	104	151.3 Å²	151.3	86%	0.86	78%	0.778	S	S	*	*			trans	-86.6	118.4	179.9	0	0	0	0	0	110.5
235	E	36.5	Very low	42.8	Very low	167 Å²	167	150.7 Å²	150.7	78%	0.78	77%	0.774	S	S	*	*			trans	-113	126	171.8	-64.1	-163	145.9	0	0	110.3	H237	E235-H237 PolarHBondContact O-N 2.94Å; E235-H237 VanDerWaalsContact O-N 3.16Å
236	S	43.2	Very low	44.1	Very low	85 Å²	85	143 Å²	143	59%	0.594	75%	0.751	S	S	*	*			trans	-79.8	94.9	-178.6	54.1	0	0	0	0	110.6	M238	S236-M238 PolarHBondContact O-N 3.02Å
237	H	48.3	Very low	45	Very low	158 Å²	158	145 Å²	145	73%	0.731	75%	0.745	S	S	*	*			trans	-57.6	129.3	176.9	-90	-92.1	0	0	0	112.3	E235	E235-H237 PolarHBondContact O-N 2.94Å; E235-H237 VanDerWaalsContact O-N 3.16Å
238	M	57.3	Low	45.8	Very low	105 Å²	105	141.8 Å²	141.8	52%	0.517	73%	0.731	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.3	100.1	175.9	-169.1	176.9	-158	0	0	108.9	S236 P246 V248	S236-M238 PolarHBondContact O-N 3.02Å; M238-P246 HydrophobicContact CE-CB 3.78Å; M238-P246 HydrophobicContact CE-CG 3.88Å; M238-P246 HydrophobicContact CG-CB 4.21Å; M238-V248 HydrophobicContact CE-CG2 3.87Å; M238-V248 HydrophobicContact CG-CG2 4.27Å
239	Q	45.3	Very low	46.6	Very low	156 Å²	156	136.1 Å²	136.1	73%	0.729	72%	0.716	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78	132.1	179.9	-81	-174.9	-31	0	0	111.7	K247	Q239-K247 PolarHBondContact O-N 3.34Å
240	W	38.6	Very low	46.8	Very low	173 Å²	173	139.5 Å²	139.5	66%	0.655	72%	0.718	S	S	*	*			trans	-113.4	139.8	166.6	-77.6	86.8	0	0	0	109	P246	W240-P246 HydrophobicContact CD2-CB 3.84Å; W240-P246 HydrophobicContact CD2-CG 4.37Å; W240-P246 HydrophobicContact CE3-CB 4.37Å; W240-P246 HydrophobicContact CG-CB 4.24Å; W240-P246 HydrophobicContact CH2-CB 4.47Å; W240-P246 HydrophobicContact CH2-CG 3.96Å; W240-P246 HydrophobicContact CZ2-CB 3.92Å; W240-P246 HydrophobicContact CZ2-CG 3.61Å; W240-P246 HydrophobicContact CZ3-CG 4.43Å
241	V	59.7	Low	47	Very low	102 Å²	102	139 Å²	139	62%	0.618	72%	0.72	S	S	*	*			trans	-125.6	134.1	167	179.6	0	0	0	0	106.3	G243 R244	V241-G243 PolarHBondContact O-N 2.88Å; V241-R244 PolarHBondContact O-N 3.01Å
242	W	36.4	Very low	47.1	Very low	259 Å²	259	142.3 Å²	142.3	98%	0.981	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.5	134.8	179.2	-83.4	103.3	0	0	0	110.9
243	G	59.6	Low	47.1	Very low	82 Å²	82	144.7 Å²	144.7	85%	0.845	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	83.8	3.4	-174.4	0	0	0	0	0	116	V241	V241-G243 PolarHBondContact O-N 2.88Å
244	R	68.1	Low	47.1	Very low	191 Å²	191	138.3 Å²	138.3	72%	0.721	71%	0.712	S	S	*	*	S	Bend	trans	-133	151.3	172.2	-66.1	-167.9	-174.3	-104.4	6.3	113.8	V241	V241-R244 PolarHBondContact O-N 3.01Å
245	L	57.1	Low	47	Very low	152 Å²	152	141.6 Å²	141.6	80%	0.796	71%	0.71	S	S	*	*			trans	-62.4	151.6	166.7	-73.4	172	0	0	0	111.1
246	P	61.1	Low	46.8	Very low	42 Å²	42	142.9 Å²	142.9	27%	0.273	71%	0.714	S	S	.	*			trans	-69	147.8	-175.6	27.6	-32.8	0	0	0	111.7	M238 W240	M238-P246 HydrophobicContact CE-CB 3.78Å; M238-P246 HydrophobicContact CE-CG 3.88Å; M238-P246 HydrophobicContact CG-CB 4.21Å; W240-P246 HydrophobicContact CD2-CB 3.84Å; W240-P246 HydrophobicContact CD2-CG 4.37Å; W240-P246 HydrophobicContact CE3-CB 4.37Å; W240-P246 HydrophobicContact CG-CB 4.24Å; W240-P246 HydrophobicContact CH2-CB 4.47Å; W240-P246 HydrophobicContact CH2-CG 3.96Å; W240-P246 HydrophobicContact CZ2-CB 3.92Å; W240-P246 HydrophobicContact CZ2-CG 3.61Å; W240-P246 HydrophobicContact CZ3-CG 4.43Å
247	K	52.1	Low	46.4	Very low	160 Å²	160	144.1 Å²	144.1	70%	0.696	72%	0.722	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-117	126.8	169.6	-68.6	-174.9	176.5	-175.9	0	109.7	Q239	Q239-K247 PolarHBondContact O-N 3.34Å
248	V	53	Low	45.9	Very low	92 Å²	92	143.7 Å²	143.7	56%	0.558	73%	0.725	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.6	118.1	167.1	-178.8	0	0	0	0	107.3	M238 K250	M238-V248 HydrophobicContact CE-CG2 3.87Å; M238-V248 HydrophobicContact CG-CG2 4.27Å; V248-K250 PolarHBondContact O-N 3.4Å
249	A	50.7	Low	44.7	Very low	66 Å²	66	146 Å²	146	55%	0.545	74%	0.737	S	S	.	*	P	Polyproline II helix	trans	-68.3	124.6	170.2	0	0	0	0	0	109.2	A251	A249-A251 PolarHBondContact O-N 3.29Å
250	K	43.3	Very low	43.9	Very low	198 Å²	198	145.7 Å²	145.7	86%	0.861	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-74.5	123	169.4	-71	-177.5	177.5	-179.7	0	108.1	V248 E252	V248-K250 PolarHBondContact O-N 3.4Å; K250-E252 PolarHBondContact O-N 3.12Å
251	A	37.9	Very low	43.8	Very low	97 Å²	97	146.5 Å²	146.5	80%	0.802	75%	0.751	S	S	*	*			trans	-78.1	113.9	171.1	0	0	0	0	0	109.5	A249	A249-A251 PolarHBondContact O-N 3.29Å
252	E	38	Very low	42.5	Very low	184 Å²	184	146 Å²	146	86%	0.86	75%	0.752	S	S	*	*			trans	-78.8	145.3	170.5	-64.5	-175.2	151.1	0	0	110.2	K250	K250-E252 PolarHBondContact O-N 3.12Å
253	R	33.7	Very low	42.4	Very low	224 Å²	224	142.4 Å²	142.4	85%	0.845	75%	0.748	S	S	*	*			trans	-89.1	123.5	176.6	-100.4	-177.9	172.4	160.8	-3.8	109.6	E255	R253-E255 PolarHBondContact O-N 3.5Å
254	P	34.7	Very low	41.2	Very low	107 Å²	107	142.9 Å²	142.9	70%	0.695	74%	0.744	S	S	*	*			trans	-81.3	104	168.2	31.4	-31.1	0	0	0	110	F256	P254-F256 HydrophobicContact CB-CE2 4.43Å
255	E	33.7	Very low	39.7	Very low	173 Å²	173	143.1 Å²	143.1	81%	0.808	75%	0.753	S	S	*	*			trans	-93.6	111.4	162.2	-72	-171.7	171.8	0	0	109	R253	R253-E255 PolarHBondContact O-N 3.5Å
256	F	31.9	Very low	38.5	Very low	195 Å²	195	140 Å²	140	86%	0.855	75%	0.749	S	S	*	*			trans	-80.6	123.3	174.7	-82.6	-96.6	0	0	0	110.3	P254	P254-F256 HydrophobicContact CB-CE2 4.43Å
257	S	35.2	Very low	37.2	Very low	111 Å²	111	145.8 Å²	145.8	78%	0.776	78%	0.776	S	S	*	*			trans	-157.3	119.7	161.4	-81.4	0	0	0	0	112
258	L	35.8	Very low	36.4	Very low	149 Å²	149	143.7 Å²	143.7	78%	0.78	78%	0.78	S	S	*	*			trans	47.1	99.4	149.1	-49.3	-179.4	0	0	0	117.3
259	I	32.5	Very low	35.6	Very low	152 Å²	152	143.5 Å²	143.5	78%	0.779	79%	0.789	S	S	*	*				79.2	117.1	77.5	-69.9	170.9	0	0	0	113.8
260	L	29.8	Very low	34.9	Very low	151 Å²	151	148.5 Å²	148.5	79%	0.791	81%	0.805	S	S	*	*			trans	66.9	102.2	152.2	-169.8	69.4	0	0	0	119.8
261	E	36.4	Very low	34.7	Very low	190 Å²	190	144.3 Å²	144.3	89%	0.888	80%	0.798	S	S	*	*				-174	162.3	125.1	-105.7	174.4	-172.4	0	0	110.6
262	S	31.9	Very low	34.7	Very low	90 Å²	90	148.5 Å²	148.5	63%	0.629	80%	0.801	S	S	*	*				-168.2	97	-60.7	171.5	0	0	0	0	111
263	M	33.5	Very low	34.7	Very low	185 Å²	185	147.9 Å²	147.9	91%	0.911	80%	0.799	S	S	*	*			trans	65.2	172.6	159.3	-58.6	-171.4	65.9	0	0	119.3
264	A	34.6	Very low	35.1	Very low	91 Å²	91	141.4 Å²	141.4	75%	0.752	79%	0.786	S	S	*	*			trans	67.7	134.8	-176.7	0	0	0	0	0	115.6
265	E	36.2	Very low	35.2	Very low	196 Å²	196	141.1 Å²	141.1	92%	0.916	79%	0.786	S	S	*	*			cis	-151.6	173	-6.1	-130	167.1	-171	0	0	110.4
266	A	32.3	Very low	35.7	Very low	86 Å²	86	138.1 Å²	138.1	71%	0.711	78%	0.781	S	S	*	*			trans	-150.5	177.3	-168.5	0	0	0	0	0	114.1
267	I	34.8	Very low	35.9	Very low	165 Å²	165	134 Å²	134	85%	0.846	78%	0.777	S	S	*	*			trans	98.1	146.8	161.4	-55.9	160.6	0	0	0	117
268	C	35.6	Very low	36.1	Very low	115 Å²	115	134.8 Å²	134.8	78%	0.777	78%	0.782	S	S	*	*			trans	87	117.8	-178.5	-63.9	0	0	0	0	116.4
269	A	35	Very low	36.1	Very low	89 Å²	89	133 Å²	133	74%	0.736	78%	0.783	S	S	*	*			cis	75.7	137.7	30	0	0	0	0	0	114.1
270	L	35.7	Very low	36.7	Very low	170 Å²	170	131.5 Å²	131.5	89%	0.89	78%	0.782	S	S	*	*			cis	-156.9	171.2	-8	-103.3	162.6	0	0	0	107.8
271	P	39.7	Very low	36.9	Very low	111 Å²	111	129.6 Å²	129.6	72%	0.721	78%	0.782	S	S	*	*			trans	-109.4	162.3	-171.3	40.4	-34.5	0	0	0	116.5
272	E	37	Very low	37	Very low	185 Å²	185	130 Å²	130	86%	0.864	78%	0.784	S	S	*	*			trans	-150.2	123.6	164.7	-80.3	-158.2	139.5	0	0	114.2
273	E	38.5	Very low	37.2	Very low	171 Å²	171	130.6 Å²	130.6	80%	0.799	79%	0.794	S	S	*	*				56.6	159.7	117	-74.2	-67.8	92.9	0	0	123.6
274	P	43.2	Very low	37.4	Very low	88 Å²	88	125.1 Å²	125.1	57%	0.571	79%	0.785	S	S	*	*			trans	-144.1	-172.5	-130.8	38.7	-15	0	0	0	119.2
275	S	35.3	Very low	37.7	Very low	101 Å²	101	126.9 Å²	126.9	71%	0.706	79%	0.786	S	S	*	*			trans	70.4	175.8	153.5	23.3	0	0	0	0	119.5
276	P	44.5	Very low	37.7	Very low	109 Å²	109	124.4 Å²	124.4	71%	0.708	78%	0.779	S	S	*	*			cis	-139.1	179	-35.7	36.7	-19.4	0	0	0	115.9
277	S	36.5	Very low	37.8	Very low	109 Å²	109	125.3 Å²	125.3	76%	0.762	78%	0.776	S	S	*	*			trans	75.6	130.1	142.4	72.6	0	0	0	0	123.1
278	S	39.4	Very low	37.9	Very low	127 Å²	127	125 Å²	125	89%	0.888	78%	0.775	S	S	*	*				-176	157.1	123	29.9	0	0	0	0	112
279	S	36.2	Very low	37.6	Very low	113 Å²	113	124.6 Å²	124.6	79%	0.79	77%	0.773	S	S	*	*			trans	-131.5	-166.2	-177.8	62.5	0	0	0	0	108.4
280	P	43.7	Very low	38	Very low	119 Å²	119	125.9 Å²	125.9	77%	0.773	78%	0.775	S	S	*	*			cis	-141.9	-157.4	10.4	45.3	-23.5	0	0	0	116.1
281	S	34.2	Very low	38.2	Very low	111 Å²	111	123.4 Å²	123.4	78%	0.776	77%	0.769	S	S	*	*			trans	-71	168	-175.1	-31.3	0	0	0	0	117.8
282	E	38.6	Very low	37.8	Very low	199 Å²	199	124.1 Å²	124.1	93%	0.93	77%	0.771	S	S	*	*			trans	-144.2	170.5	143.5	-90	-117	112.5	0	0	109.4
283	A	37	Very low	37.8	Very low	103 Å²	103	123.3 Å²	123.3	85%	0.851	77%	0.771	S	S	*	*			trans	-143.5	164.5	-162.9	0	0	0	0	0	115.9
284	G	37.7	Very low	37.6	Very low	69 Å²	69	123.5 Å²	123.5	71%	0.711	77%	0.772	S	S	*	*			trans	164.6	100	174.3	0	0	0	0	0	109.7
285	V	39.9	Very low	37.4	Very low	128 Å²	128	125.6 Å²	125.6	78%	0.776	79%	0.785	S	S	*	*				86.6	141.4	56	178.3	0	0	0	0	112.3
286	D	36.5	Very low	37.4	Very low	144 Å²	144	124 Å²	124	77%	0.77	79%	0.785	S	S	*	*			trans	77.1	145.9	172.1	-76.5	-33.7	0	0	0	120.5
287	T	35.6	Very low	37.1	Very low	105 Å²	105	124.8 Å²	124.8	64%	0.644	79%	0.787	S	S	*	*			cis	-168.5	140.4	-26.6	-119.9	0	0	0	0	114.2
288	L	36.4	Very low	37	Very low	159 Å²	159	130.9 Å²	130.9	83%	0.832	79%	0.794	S	S	*	*			trans	56.1	-172	156.1	-59.7	175.3	0	0	0	121.8
289	S	29	Very low	36.7	Very low	106 Å²	106	128.4 Å²	128.4	74%	0.741	78%	0.781	S	S	*	*			trans	-129	-166	-141.4	-38.6	0	0	0	0	113.8
290	P	43.8	Very low	36.8	Very low	117 Å²	117	130.9 Å²	130.9	76%	0.76	79%	0.785	S	S	*	*			trans	-87.2	-178	-152.8	40.4	-43.1	0	0	0	116.3
291	P	39.1	Very low	36	Very low	118 Å²	118	130.7 Å²	130.7	77%	0.766	78%	0.782	S	S	*	*				-150.4	150.1	108.1	39	-22.7	0	0	0	119
292	V	32.1	Very low	36	Very low	126 Å²	126	135.2 Å²	135.2	76%	0.764	79%	0.788	S	S	*	*			trans	19.3	135	131.4	-175	0	0	0	0	121.1
293	L	35.7	Very low	35.5	Very low	167 Å²	167	134 Å²	134	87%	0.874	78%	0.782	S	S	*	*				-175.2	143	125.3	-100.2	166.1	0	0	0	115.5
294	H	35.5	Very low	35.5	Very low	176 Å²	176	134.5 Å²	134.5	82%	0.815	78%	0.776	S	S	*	*			trans	-114.2	156.9	168.9	-81.6	-78.3	0	0	0	110.1
295	P	39.5	Very low	35.1	Very low	131 Å²	131	135.5 Å²	135.5	85%	0.851	78%	0.778	S	S	*	*				-146.7	178.9	95.4	35	-16.3	0	0	0	113.4
296	G	35.4	Very low	35	Very low	68 Å²	68	135.8 Å²	135.8	70%	0.701	78%	0.78	S	S	*	*			cis	154	173.5	-8.5	0	0	0	0	0	113.4
297	V	36.3	Very low	34.6	Very low	125 Å²	125	137.3 Å²	137.3	76%	0.758	78%	0.782	S	S	*	*			trans	90.9	109.1	156.3	-171.4	0	0	0	0	121.3
298	R	35	Very low	34.5	Very low	238 Å²	238	136.5 Å²	136.5	90%	0.898	79%	0.786	S	S	*	*			trans	66.4	159.8	148.6	-72.1	174.3	178.4	174.8	-1	121.7
299	A	34.3	Very low	34.1	Very low	75 Å²	75	137.4 Å²	137.4	62%	0.62	79%	0.786	S	S	*	*			cis	179.7	146	-34.4	0	0	0	0	0	109.9
300	D	36.7	Very low	34	Very low	165 Å²	165	137.2 Å²	137.2	88%	0.882	78%	0.784	S	S	*	*				178.8	165.3	120	-94.1	-10.2	0	0	0	112
301	T	28.3	Very low	33.3	Very low	114 Å²	114	139.9 Å²	139.9	70%	0.699	79%	0.786	S	S	*	*			trans	-140.4	134.4	-158.2	-60.1	0	0	0	0	112.4
302	F	34	Very low	32.6	Very low	207 Å²	207	142.4 Å²	142.4	91%	0.908	79%	0.787	S	S	*	*			trans	-148.7	124.5	153.7	-83.7	-66.5	0	0	0	114.4
303	H	28.7	Very low	32.4	Very low	174 Å²	174	142.7 Å²	142.7	81%	0.806	79%	0.789	S	S	*	*			trans	-127.4	-175.1	159	-91.3	-76.5	0	0	0	105.4
304	P	36.2	Very low	32.1	Very low	112 Å²	112	138.8 Å²	138.8	73%	0.727	78%	0.782	S	S	*	*			cis	-138.8	-170.2	5.5	44.2	-26.3	0	0	0	115.9
305	A	29.7	Very low	31.9	Very low	90 Å²	90	136.6 Å²	136.6	74%	0.744	78%	0.78	S	S	*	*			trans	69	163.7	152.5	0	0	0	0	0	117.6
306	V	36.3	Very low	31.7	Very low	134 Å²	134	137.7 Å²	137.7	81%	0.812	78%	0.779	S	S	*	*			cis	-131.4	178.5	18.3	-175.5	0	0	0	0	111.6
307	E	28.6	Very low	31.5	Very low	177 Å²	177	139.1 Å²	139.1	83%	0.827	78%	0.778	S	S	*	*			trans	-105.8	-169.8	-155.8	-52.3	145.7	110.4	0	0	116.5
308	A	34.2	Very low	31.5	Very low	88 Å²	88	138 Å²	138	73%	0.727	77%	0.774	S	S	*	*			trans	85.2	125.9	165.7	0	0	0	0	0	117.8
309	H	28.1	Very low	31.4	Very low	177 Å²	177	134.8 Å²	134.8	82%	0.819	77%	0.773	S	S	*	*			cis	98	141.2	27.3	-83.9	-89.1	0	0	0	115.7
310	C	27.6	Very low	31.4	Very low	103 Å²	103	136.3 Å²	136.3	70%	0.696	79%	0.786	S	S	*	*			trans	68.1	158.5	166.7	-64.6	0	0	0	0	116.9
311	E	27.6	Very low	31.3	Very low	173 Å²	173	133 Å²	133	81%	0.808	78%	0.782	S	S	*	*			cis	-165.5	-164.5	-42.8	-124.1	166.2	150.3	0	0	107.7
312	E	24.5	Very low	31.9	Very low	170 Å²	170	133.2 Å²	133.2	79%	0.794	79%	0.785	S	S	*	*			trans	-66.5	178.9	-169	-59.1	-172.7	101.3	0	0	118
313	T	27.3	Very low	31.8	Very low	132 Å²	132	131.9 Å²	131.9	81%	0.81	78%	0.782	S	S	*	*			trans	90.2	108.1	150.5	36.7	0	0	0	0	122.1
314	A	30.3	Very low	32.3	Very low	86 Å²	86	128.4 Å²	128.4	71%	0.711	78%	0.777	S	S	*	*				84.6	125.3	122	0	0	0	0	0	121.6
315	V	32.5	Very low	32.4	Very low	129 Å²	129	131.4 Å²	131.4	78%	0.782	78%	0.778	S	S	*	*				49.9	118.3	129.6	-174.6	0	0	0	0	116.6
316	D	33.5	Very low	32.6	Very low	154 Å²	154	135 Å²	135	82%	0.824	78%	0.78	S	S	*	*				-156.8	180	57.6	-144.7	-23.2	0	0	0	115.2
317	S	31.9	Very low	32.2	Very low	99 Å²	99	135 Å²	135	69%	0.692	78%	0.78	S	S	*	*			trans	-93.9	-164.2	171.4	-136.9	0	0	0	0	109.9
318	P	37	Very low	32.4	Very low	102 Å²	102	136.5 Å²	136.5	66%	0.662	78%	0.784	S	S	*	*			cis	-140	-178.9	0.1	42.5	-23.2	0	0	0	117.5
319	L	31.4	Very low	32.1	Very low	169 Å²	169	138 Å²	138	89%	0.885	78%	0.784	S	S	*	*			trans	44.9	122.9	145.3	-96.5	72	0	0	0	121.8
320	A	36	Very low	32.4	Very low	107 Å²	107	138.5 Å²	138.5	88%	0.884	79%	0.787	S	S	*	*				-161.6	139.2	118.3	0	0	0	0	0	112.5
321	A	33.1	Very low	32.5	Very low	96 Å²	96	140.9 Å²	140.9	79%	0.793	79%	0.793	S	S	*	*			trans	-125.6	163.1	161.9	0	0	0	0	0	108.4
322	P	41.1	Very low	32.9	Very low	118 Å²	118	138.7 Å²	138.7	77%	0.766	80%	0.797	S	S	*	*				-147.9	149.9	110.4	36.7	-20.8	0	0	0	117.1
323	E	33.2	Very low	33.3	Very low	180 Å²	180	142.9 Å²	142.9	84%	0.841	81%	0.805	S	S	*	*			trans	-0.1	142.6	143.6	-45.8	179	126.4	0	0	120.3
324	S	38.1	Very low	33.6	Very low	101 Å²	101	140.4 Å²	140.4	71%	0.706	81%	0.805	S	S	*	*				167.5	154.3	87.8	54.2	0	0	0	0	116.5
325	K	38.4	Very low	33.8	Very low	175 Å²	175	141.6 Å²	141.6	76%	0.761	82%	0.815	S	S	*	*			trans	78	97.8	150.2	-74.2	161.2	-178.6	171.3	0	123.3
326	E	34.7	Very low	33.9	Very low	166 Å²	166	139 Å²	139	78%	0.776	82%	0.815	S	S	*	*				60.7	98.3	114.7	-66.2	179	116.6	0	0	122.1
327	T	27.8	Very low	33.9	Very low	134 Å²	134	140.8 Å²	140.8	82%	0.822	82%	0.818	S	S	*	*				16.1	124.3	124.6	50.5	0	0	0	0	120.6
328	K	33	Very low	34.2	Very low	208 Å²	208	141.4 Å²	141.4	90%	0.904	82%	0.82	S	S	*	*			trans	-152	138.5	134.3	-158.3	163.8	-174.8	172.7	0	114.6
329	T	27.7	Very low	34.2	Very low	119 Å²	119	142.8 Å²	142.8	73%	0.73	83%	0.829	S	S	*	*			trans	-83.3	141.8	179	-40.3	0	0	0	0	112.6
330	Q	34.3	Very low	34.4	Very low	188 Å²	188	138.8 Å²	138.8	88%	0.879	82%	0.82	S	S	*	*				-177.8	159.8	127.4	-102.8	172.9	-10	0	0	115
331	N	28.5	Very low	34	Very low	153 Å²	153	140.3 Å²	140.3	82%	0.818	82%	0.818	S	S	*	*			trans	-87.8	154.8	-174.9	-52.3	-52.3	0	0	0	112.7
332	S	36.6	Very low	34	Very low	127 Å²	127	144.2 Å²	144.2	89%	0.888	82%	0.818	S	S	*	*				-170.2	152.6	125.1	36.9	0	0	0	0	114.6
333	R	32.9	Very low	33.3	Very low	258 Å²	258	144.2 Å²	144.2	97%	0.974	82%	0.82	S	S	*	*			trans	-51.4	139.6	-176.3	-70.1	164.7	159.2	177	-7.6	115.8
334	G	34.7	Very low	33.2	Very low	79 Å²	79	146.1 Å²	146.1	81%	0.814	82%	0.82	S	S	*	*			trans	-140.7	142.7	150.6	0	0	0	0	0	109
335	A	34.1	Very low	32.7	Very low	111 Å²	111	146.8 Å²	146.8	92%	0.917	83%	0.825	S	S	*	*			trans	-104.5	145.3	-169.5	0	0	0	0	0	113.6
336	G	34	Very low	32.2	Very low	76 Å²	76	150.3 Å²	150.3	78%	0.784	83%	0.834	S	S	*	*			trans	-163.3	124.2	170.6	0	0	0	0	0	111.1
337	H	34.5	Very low	32.1	Very low	191 Å²	191	148.9 Å²	148.9	88%	0.884	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-93.9	155	177.5	-96.1	-97	0	0	0	111.8
338	P	37.6	Very low	32.3	Very low	112 Å²	112	149 Å²	149	73%	0.727	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-91.1	162	-173.7	37	-36.8	0	0	0	113.6
339	P	35.9	Very low	32.4	Very low	130 Å²	130	143.7 Å²	143.7	84%	0.844	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-101.2	157.6	160.5	37	-30	0	0	0	112.3
340	A	35.3	Very low	32.5	Very low	85 Å²	85	145.8 Å²	145.8	70%	0.702	83%	0.825	S	S	*	*			trans	-118.6	162.5	-179.8	0	0	0	0	0	113.3
341	T	28.6	Very low	32.2	Very low	139 Å²	139	140.9 Å²	140.9	85%	0.853	81%	0.811	S	S	*	*			trans	14	119.9	151.9	-44.9	0	0	0	0	118.6
342	K	33	Very low	32.4	Very low	179 Å²	179	142.1 Å²	142.1	78%	0.778	81%	0.812	S	S	*	*			trans	-138.1	140.4	154.6	-70.3	-167.1	177.7	-178.2	0	111.9
343	S	26.2	Very low	31.9	Very low	118 Å²	118	142.4 Å²	142.4	83%	0.825	81%	0.809	S	S	*	*			trans	-114.2	140	170.7	178.1	0	0	0	0	108.4
344	W	31.4	Very low	32	Very low	219 Å²	219	135.4 Å²	135.4	83%	0.83	80%	0.797	S	S	*	*			trans	-137	147.6	-176.8	-82.4	63.4	0	0	0	111.1
345	S	28.5	Very low	31.7	Very low	116 Å²	116	137.2 Å²	137.2	81%	0.811	80%	0.797	S	S	*	*			trans	-109.8	169.5	-172.4	48.7	0	0	0	0	113.2
346	W	27.4	Very low	31.6	Very low	249 Å²	249	135.7 Å²	135.7	94%	0.943	79%	0.792	S	S	*	*			trans	-97.7	152.8	-174.4	-69.7	102.8	0	0	0	114.6
347	T	33.1	Very low	31.4	Very low	136 Å²	136	141 Å²	141	83%	0.834	80%	0.796	S	S	*	*			trans	-145.9	127.4	161.3	48.5	0	0	0	0	111.2
348	T	31	Very low	31.5	Very low	136 Å²	136	136.6 Å²	136.6	83%	0.834	79%	0.785	S	S	*	*			trans	-77.4	-177.1	166.2	4.3	0	0	0	0	111.2
349	P	35.2	Very low	31.2	Very low	97 Å²	97	139.8 Å²	139.8	63%	0.63	79%	0.79	S	S	*	*			cis	-115.6	-148.4	17.4	36	-14.7	0	0	0	112.3
350	E	30.6	Very low	31	Very low	163 Å²	163	139.9 Å²	139.9	76%	0.762	79%	0.788	S	S	*	*			cis	-157.8	134.9	4.2	-142.8	122.9	-112.8	0	0	107.2
351	S	28.2	Very low	30.9	Very low	84 Å²	84	141.2 Å²	141.2	59%	0.587	79%	0.792	S	S	*	*				113.3	165.1	85.1	57.9	0	0	0	0	114.2
352	H	31.9	Very low	30.8	Very low	179 Å²	179	146.3 Å²	146.3	83%	0.829	80%	0.795	S	S	*	*			trans	86.4	96.7	169	-54.4	-66.8	0	0	0	121
353	T	26.3	Very low	30.8	Very low	133 Å²	133	141.5 Å²	141.5	82%	0.816	80%	0.797	S	S	*	*			trans	-100.3	166	152.2	-13.8	0	0	0	0	109
354	P	34.2	Very low	30.9	Very low	112 Å²	112	146.6 Å²	146.6	73%	0.727	80%	0.804	S	S	*	*				-155.3	141.8	82.5	44.3	-24.7	0	0	0	116.7
355	S	29	Very low	31	Very low	116 Å²	116	140.1 Å²	140.1	81%	0.811	81%	0.805	S	S	*	*				82.3	129.9	101.2	81.4	0	0	0	0	119.3
356	G	31.6	Very low	31.3	Very low	80 Å²	80	140.2 Å²	140.2	83%	0.825	81%	0.806	S	S	*	*			trans	-168.3	122.3	163.5	0	0	0	0	0	112.8
357	H	31.1	Very low	31.8	Very low	186 Å²	186	137 Å²	137	86%	0.861	81%	0.807	S	S	*	*			trans	-155.6	152.6	-178	-129.5	-25.9	0	0	0	107.4
358	P	35.1	Very low	32.2	Very low	100 Å²	100	140.3 Å²	140.3	65%	0.649	81%	0.809	S	S	*	*				-159.2	175.6	79.1	42.5	-22.6	0	0	0	117.4
359	Q	32.5	Very low	32.3	Very low	179 Å²	179	143.3 Å²	143.3	84%	0.836	81%	0.805	S	S	*	*			trans	49.6	153.1	139.8	-73.5	178.6	-1.9	0	0	121.4
360	V	31.7	Very low	32.3	Very low	132 Å²	132	145.7 Å²	145.7	80%	0.8	81%	0.813	S	S	*	*			cis	-168.3	157.8	-8.6	121.1	0	0	0	0	105.5
361	S	32.3	Very low	32.8	Very low	112 Å²	112	145.8 Å²	145.8	78%	0.783	81%	0.813	S	S	*	*			cis	-156.4	176.1	48.2	63.6	0	0	0	0	116.6
362	R	27.6	Very low	33.4	Very low	246 Å²	246	148.8 Å²	148.8	93%	0.928	82%	0.818	S	S	*	*			trans	-61	147.2	176.1	-67.2	165.9	166.3	164.3	-4.6	117.7
363	G	31.1	Very low	33.9	Very low	79 Å²	79	145.9 Å²	145.9	81%	0.814	81%	0.808	S	S	*	*			trans	-135.2	161.1	147.8	0	0	0	0	0	110.1
364	K	29.7	Very low	34.6	Very low	224 Å²	224	141.7 Å²	141.7	97%	0.974	79%	0.791	S	S	*	*			trans	-109.5	137.4	-175.5	-77.7	-177.9	176	178.6	0	113.1
365	G	33.2	Very low	35.2	Very low	83 Å²	83	142.7 Å²	142.7	86%	0.856	80%	0.798	S	S	*	*			trans	-166.9	142.5	163.3	0	0	0	0	0	109.9
366	S	33.9	Very low	36.1	Very low	119 Å²	119	141.8 Å²	141.8	83%	0.832	79%	0.791	S	S	*	*			trans	-118.4	122.7	-174.7	59.4	0	0	0	0	112
367	L	39.3	Very low	36.7	Very low	181 Å²	181	143.5 Å²	143.5	95%	0.948	78%	0.781	S	S	*	*			trans	-123.8	143.3	169	-74.1	171.1	0	0	0	110.4
368	K	40.2	Very low	37.5	Very low	205 Å²	205	139.6 Å²	139.6	89%	0.891	77%	0.766	S	S	*	*			trans	-77.7	127	-179.8	-80.1	179	172.6	176.9	0	110.4
369	R	34.3	Very low	38.1	Very low	199 Å²	199	139.8 Å²	139.8	75%	0.751	75%	0.754	S	S	*	*			trans	-95.9	111.5	175.8	177.3	-179.5	169.9	103.4	-1.7	110.4
370	N	35.2	Very low	38.8	Very low	147 Å²	147	135.3 Å²	135.3	79%	0.786	74%	0.736	S	S	*	*			trans	-83.2	138.3	167.9	-67.8	-23.6	0	0	0	109.7	H372	N370-H372 PolarHBondContact O-N 3.38Å
371	Q	40.8	Very low	40.2	Very low	166 Å²	166	135.6 Å²	135.6	78%	0.776	73%	0.733	S	S	*	*	S	Bend	trans	-102.3	51.4	-161	-56.8	-170.9	40.5	0	0	114.7
372	H	40.3	Very low	41.4	Very low	146 Å²	146	135.5 Å²	135.5	68%	0.676	72%	0.723	S	S	*	*	S	Bend	trans	-136	4.2	-176.7	-65.5	-66.5	0	0	0	116.7	N370 Q501	N370-H372 PolarHBondContact O-N 3.38Å; H372-Q501 PolarHBondContact CE1-OE1 3.05Å
373	L	41.8	Very low	42.9	Very low	119 Å²	119	125.9 Å²	125.9	62%	0.623	69%	0.69	S	S	*	*	S	Bend	trans	-131.3	163.6	178.1	-69	173.1	0	0	0	111.7
374	G	41.9	Very low	44.3	Very low	45 Å²	45	128.2 Å²	128.2	46%	0.464	69%	0.691	S	S	.	*			trans	-69.2	175.4	178.4	0	0	0	0	0	113.2	S376	G374-S376 PolarHBondContact O-N 3.38Å
375	P	46.1	Very low	45.8	Very low	133 Å²	133	120.2 Å²	120.2	86%	0.864	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	4.8	-172.7	-20.2	34.2	0	0	0	116.6
376	S	47.7	Very low	47.1	Very low	97 Å²	97	122.8 Å²	122.8	68%	0.678	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.3	-21	-155.3	-49.1	0	0	0	0	115.7	G374	G374-S376 PolarHBondContact O-N 3.38Å
377	D	45.5	Very low	48.8	Very low	115 Å²	115	120.1 Å²	120.1	62%	0.615	63%	0.633	S	S	*	*			trans	-107.7	123.2	-162.4	-51.2	-53.2	0	0	0	112
378	I	47.6	Very low	49.8	Very low	105 Å²	105	116.6 Å²	116.6	54%	0.538	62%	0.623	S	S	.	*			trans	-127.6	134.1	175.6	-59.8	174.4	0	0	0	106.6	D382 L383	I378-D382 HydrophobicContact CG2-CB 3.75Å; I378-L383 HydrophobicContact CG2-CD2 4.23Å
379	Y	47.3	Very low	51.2	Low	104 Å²	104	114.6 Å²	114.6	41%	0.408	62%	0.617	S	S	.	*			trans	-72.6	149.7	177.4	-73.6	-84.6	0	0	0	111	D381 D382	Y379-D381 PolarHBondContact O-N 3.02Å; Y379-D381 VanDerWaalsContact O-N 3.16Å; Y379-D382 WeakPolarHBondContact CB-OD2 3.39Å; Y379-D382 PolarHBondContact N-OD2 2.68Å; Y379-D382 WeakPolarHBondContact O-CB 3.36Å; Y379-D382 PolarHBondContact O-N 2.85Å
380	L	48.1	Very low	52.5	Low	85 Å²	85	107.9 Å²	107.9	45%	0.445	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-55.2	-28.4	169.1	-106	151.2	0	0	0	112.7	D382 L386 Y394	L380-D382 VanDerWaalsContact C-N 3.33Å; L380-L386 HydrophobicContact CD2-CD2 3.69Å; L380-Y394 HydrophobicContact CD1-CD1 4.43Å; L380-Y394 HydrophobicContact CD1-CD2 4.46Å; L380-Y394 HydrophobicContact CD1-CE1 4.12Å; L380-Y394 HydrophobicContact CD1-CE2 4.14Å; L380-Y394 HydrophobicContact CG-CD2 4.46Å; L380-Y394 HydrophobicContact CG-CE2 4.09Å
381	D	60.2	Low	53.7	Low	137 Å²	137	103.3 Å²	103.3	73%	0.733	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-75.2	-15.2	174.7	-56.8	-51.3	0	0	0	113.9	Y379	Y379-D381 PolarHBondContact O-N 3.02Å; Y379-D381 VanDerWaalsContact O-N 3.16Å
382	D	57.8	Low	54.9	Low	110 Å²	110	97.7 Å²	97.7	59%	0.588	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-93.1	-8.2	178.3	-68.2	-47.5	0	0	0	112.7	I378 Y379 L380	I378-D382 HydrophobicContact CG2-CB 3.75Å; Y379-D382 WeakPolarHBondContact CB-OD2 3.39Å; Y379-D382 PolarHBondContact N-OD2 2.68Å; Y379-D382 WeakPolarHBondContact O-CB 3.36Å; Y379-D382 PolarHBondContact O-N 2.85Å; L380-D382 VanDerWaalsContact C-N 3.33Å
383	L	59.2	Low	55.8	Low	44 Å²	44	97.6 Å²	97.6	23%	0.23	56%	0.559	C	S	.	*			trans	-82.5	125.4	-179.6	-68.5	176.5	0	0	0	111.3	I378 S385	I378-L383 HydrophobicContact CG2-CD2 4.23Å; L383-S385 PolarHBondContact O-N 2.93Å
384	P	59.9	Low	56	Low	128 Å²	128	97.8 Å²	97.8	83%	0.831	55%	0.553	S	S	*	*	S	Bend	trans	-74.9	-10.2	-179.6	31.3	-36	0	0	0	113.9
385	S	61.6	Low	56.4	Low	57 Å²	57	102.6 Å²	102.6	40%	0.399	56%	0.561	S	S	.	*			trans	-153.7	152.5	178	48.8	0	0	0	0	111.4	L383 D387	L383-S385 PolarHBondContact O-N 2.93Å; S385-D387 WeakPolarHBondContact CB-OD1 3.46Å; S385-D387 PolarHBondContact OG-OD1 3.07Å
386	L	59.5	Low	56.4	Low	137 Å²	137	102.2 Å²	102.2	72%	0.717	56%	0.558	S	S	*	*			trans	-99.3	65.6	170.7	-75.7	170.2	0	0	0	110.1	L380 V391	L380-L386 HydrophobicContact CD2-CD2 3.69Å; L386-V391 HydrophobicContact CD2-CG2 4.12Å
387	D	70.6	Confident	56.2	Low	63 Å²	63	106.5 Å²	106.5	34%	0.337	57%	0.565	S	S	.	*			trans	-92.7	144.4	175.8	53.7	-54.5	0	0	0	112	S385 E389 N390 V391	S385-D387 WeakPolarHBondContact CB-OD1 3.46Å; S385-D387 PolarHBondContact OG-OD1 3.07Å; D387-E389 VanDerWaalsContact C-N 3.3Å; D387-E389 PolarHBondContact O-N 3.49Å; D387-E389 VanDerWaalsContact O-N 3.17Å; D387-N390 PolarHBondContact O-N 2.76Å; D387-N390 PolarHBondContact OD1-ND2 3.06Å; D387-N390 PolarHBondContact OD2-ND2 3.41Å; D387-V391 PolarHBondContact O-N 2.86Å; D387-V391 VanDerWaalsContact O-N 3.1Å
388	S	59.8	Low	55.9	Low	106 Å²	106	105.7 Å²	105.7	74%	0.741	57%	0.568	S	S	*	*	H	α-helix	trans	-57.7	-36.6	-163.2	-165.8	0	0	0	0	114.1	V391 A392	S388-V391 PolarHBondContact O-N 3.4Å; S388-A392 WeakPolarHBondContact O-CB 3.3Å; S388-A392 PolarHBondContact O-N 3.38Å
389	E	70.6	Confident	55.4	Low	164 Å²	164	109.7 Å²	109.7	77%	0.766	59%	0.585	S	S	*	*	H	α-helix	trans	-69.6	-35.6	179.1	-62.3	-168.1	130.4	0	0	112.6	D387 A392	D387-E389 VanDerWaalsContact C-N 3.3Å; D387-E389 PolarHBondContact O-N 3.49Å; D387-E389 VanDerWaalsContact O-N 3.17Å; E389-A392 PolarHBondContact O-N 3.14Å
390	N	61.7	Low	54.8	Low	57 Å²	57	115.9 Å²	115.9	31%	0.305	61%	0.609	S	S	.	*	H	α-helix	trans	-72.8	-38.8	175.9	-73	-34.3	0	0	0	111.4	D387 A392 L393	D387-N390 PolarHBondContact O-N 2.76Å; D387-N390 PolarHBondContact OD1-ND2 3.06Å; D387-N390 PolarHBondContact OD2-ND2 3.41Å; N390-A392 VanDerWaalsContact C-N 3.28Å; N390-A392 PolarHBondContact O-N 3.39Å; N390-L393 WeakPolarHBondContact O-CB 3.38Å; N390-L393 PolarHBondContact O-N 3Å
391	V	60	Low	54.1	Low	51 Å²	51	114.8 Å²	114.8	31%	0.309	62%	0.618	S	S	.	*	H	α-helix	trans	-63.9	-34.5	174	175.9	0	0	0	0	111.4	L386 D387 S388 L393 Y394 F395	L386-V391 HydrophobicContact CD2-CG2 4.12Å; D387-V391 PolarHBondContact O-N 2.86Å; D387-V391 VanDerWaalsContact O-N 3.1Å; S388-V391 PolarHBondContact O-N 3.4Å; V391-L393 PolarHBondContact O-N 3.09Å; V391-L393 VanDerWaalsContact O-N 3.13Å; V391-Y394 WeakPolarHBondContact O-CB 3.37Å; V391-Y394 PolarHBondContact O-N 3.19Å; V391-F395 HydrophobicContact CG1-CD2 4.37Å; V391-F395 HydrophobicContact CG1-CE2 3.88Å
392	A	65.2	Low	52.8	Low	48 Å²	48	117.8 Å²	117.8	40%	0.397	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.3	-9	176.8	0	0	0	0	0	114.8	S388 E389 N390	S388-A392 WeakPolarHBondContact O-CB 3.3Å; S388-A392 PolarHBondContact O-N 3.38Å; E389-A392 PolarHBondContact O-N 3.14Å; N390-A392 VanDerWaalsContact C-N 3.28Å; N390-A392 PolarHBondContact O-N 3.39Å
393	L	58.9	Low	51.5	Low	144 Å²	144	116.4 Å²	116.4	75%	0.754	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-21.5	169.6	-60.4	177.3	0	0	0	112.8	N390 V391	N390-L393 WeakPolarHBondContact O-CB 3.38Å; N390-L393 PolarHBondContact O-N 3Å; V391-L393 PolarHBondContact O-N 3.09Å; V391-L393 VanDerWaalsContact O-N 3.13Å
394	Y	46.6	Very low	50.2	Low	124 Å²	124	119 Å²	119	49%	0.486	67%	0.669	S	S	.	*	S	Bend	trans	-86.3	-13.2	-176.5	-125.4	-86.4	0	0	0	113.6	L380 V391	L380-Y394 HydrophobicContact CD1-CD1 4.43Å; L380-Y394 HydrophobicContact CD1-CD2 4.46Å; L380-Y394 HydrophobicContact CD1-CE1 4.12Å; L380-Y394 HydrophobicContact CD1-CE2 4.14Å; L380-Y394 HydrophobicContact CG-CD2 4.46Å; L380-Y394 HydrophobicContact CG-CE2 4.09Å; V391-Y394 WeakPolarHBondContact O-CB 3.37Å; V391-Y394 PolarHBondContact O-N 3.19Å
395	F	50	Low	48.8	Very low	146 Å²	146	124.9 Å²	124.9	64%	0.64	68%	0.675	S	S	*	*	S	Bend	trans	-101.2	122	177.9	-72	-80.5	0	0	0	111.2	V391 K397	V391-F395 HydrophobicContact CG1-CD2 4.37Å; V391-F395 HydrophobicContact CG1-CE2 3.88Å; F395-K397 PolarHBondContact O-N 3.04Å
396	P	46.3	Very low	47.2	Very low	124 Å²	124	131.1 Å²	131.1	81%	0.805	69%	0.69	S	S	*	*			trans	-61.8	118.7	173.7	-21.9	33.3	0	0	0	111	S398	P396-S398 PolarHBondContact O-N 2.87Å; P396-S398 VanDerWaalsContact O-N 3.11Å
397	K	43.1	Very low	45.7	Very low	188 Å²	188	134 Å²	134	82%	0.817	69%	0.692	S	S	*	*			trans	-64.1	112.5	175.9	-68.9	-178.9	178.4	177.4	0	109.7	F395 E399	F395-K397 PolarHBondContact O-N 3.04Å; K397-E399 PolarHBondContact O-N 3.34Å
398	S	40.6	Very low	43.8	Very low	98 Å²	98	135.7 Å²	135.7	69%	0.685	71%	0.708	S	S	*	*			trans	-80.1	92.5	-178.1	40.9	0	0	0	0	111.5	P396 Y400	P396-S398 PolarHBondContact O-N 2.87Å; P396-S398 VanDerWaalsContact O-N 3.11Å; S398-Y400 VanDerWaalsContact C-N 3.33Å; S398-Y400 PolarHBondContact O-N 2.75Å
399	E	35.8	Very low	42.3	Very low	189 Å²	189	139.8 Å²	139.8	88%	0.883	72%	0.716	S	S	*	*			trans	-69.7	85.5	173.4	-67.8	-167.3	148.4	0	0	111.9	K397 G401	K397-E399 PolarHBondContact O-N 3.34Å; E399-G401 PolarHBondContact O-N 3.41Å
400	Y	35.2	Very low	40.5	Very low	233 Å²	233	138.2 Å²	138.2	91%	0.914	72%	0.72	S	S	*	*			trans	-68.7	80.7	161.3	-91.7	-84.5	0	0	0	109.8	S398	S398-Y400 VanDerWaalsContact C-N 3.33Å; S398-Y400 PolarHBondContact O-N 2.75Å
401	G	34.1	Very low	39	Very low	63 Å²	63	141 Å²	141	65%	0.649	74%	0.743	S	S	*	*			trans	-156.5	88.6	-173.7	0	0	0	0	0	115	E399	E399-G401 PolarHBondContact O-N 3.41Å
402	M	32.9	Very low	37.6	Very low	200 Å²	200	146.4 Å²	146.4	99%	0.985	77%	0.771	S	S	*	*			trans	14.6	122	159.7	-53.6	-176.9	-162.3	0	0	120
403	G	30.9	Very low	36.1	Very low	81 Å²	81	153 Å²	153	84%	0.835	79%	0.793	S	S	*	*			trans	128.7	131.7	143.8	0	0	0	0	0	116.3
404	A	31	Very low	34.9	Very low	97 Å²	97	155.8 Å²	155.8	80%	0.802	80%	0.799	S	S	*	*			trans	-84.9	133.8	-176.6	0	0	0	0	0	113.8
405	R	31.1	Very low	33.9	Very low	253 Å²	253	157.5 Å²	157.5	96%	0.955	82%	0.816	S	S	*	*			trans	-155.7	-179.8	134.8	-122.3	170	-85.9	-135.1	3.7	112.5
406	R	27.1	Very low	33.2	Very low	187 Å²	187	157.8 Å²	157.8	71%	0.706	82%	0.824	S	S	*	*			trans	-135.9	171.1	-158.6	-179.9	-177.1	176.7	-161.6	0.4	109.6
407	W	28.7	Very low	32.5	Very low	198 Å²	198	159.4 Å²	159.4	75%	0.75	82%	0.821	S	S	*	*			trans	75	157.3	171.5	-42	94.9	0	0	0	114.2
408	S	29.8	Very low	32.2	Very low	98 Å²	98	155.8 Å²	155.8	69%	0.685	82%	0.819	S	S	*	*			cis	-171.3	165.9	-31.4	-93.4	0	0	0	0	108.5
409	E	28.8	Very low	31.9	Very low	192 Å²	192	157 Å²	157	90%	0.897	82%	0.824	S	S	*	*			trans	-62.9	160.3	176.8	-59.9	169.5	106.8	0	0	114.5
410	P	32.9	Very low	31.8	Very low	131 Å²	131	155.6 Å²	155.6	85%	0.851	82%	0.823	S	S	*	*			trans	-134.6	169.3	135.8	39	-28.4	0	0	0	114.9
411	S	30.8	Very low	31.7	Very low	115 Å²	115	149.5 Å²	149.5	80%	0.804	81%	0.812	S	S	*	*			trans	-105.4	169.5	-168.9	53.4	0	0	0	0	115.4
412	N	29	Very low	31.9	Very low	166 Å²	166	155.3 Å²	155.3	89%	0.888	82%	0.822	S	S	*	*			trans	-75.3	132	-175.2	-70.5	-63.4	0	0	0	115.3
413	Q	34.6	Very low	32	Very low	185 Å²	185	154.3 Å²	154.3	86%	0.864	81%	0.814	S	S	*	*			trans	-156.6	154.6	156.4	-65.6	-166.1	24.8	0	0	108.8
414	K	32.9	Very low	32.2	Very low	203 Å²	203	158.3 Å²	158.3	88%	0.883	82%	0.815	S	S	*	*			cis	-160.7	157.9	-28.7	-173.9	175.3	178.1	-174	0	107.5
415	L	27	Very low	32.2	Very low	161 Å²	161	158.5 Å²	158.5	84%	0.843	82%	0.817	S	S	*	*			trans	-72.3	147.4	-172.8	-163.7	80.3	0	0	0	115.6
416	L	34.2	Very low	32.3	Very low	152 Å²	152	155.5 Å²	155.5	80%	0.796	81%	0.814	S	S	*	*			trans	-155.7	103	154.7	-149	72	0	0	0	108.2
417	E	31.3	Very low	32.5	Very low	158 Å²	158	152.8 Å²	152.8	74%	0.738	82%	0.821	S	S	*	*				66.1	111.8	96.5	-153.7	171	-154.6	0	0	113.7
418	S	37.5	Very low	32.5	Very low	111 Å²	111	149.3 Å²	149.3	78%	0.776	82%	0.822	S	S	*	*				-171.7	168	81.4	34.1	0	0	0	0	111.9
419	P	34	Very low	32.8	Very low	123 Å²	123	152.5 Å²	152.5	80%	0.799	83%	0.831	S	S	*	*			trans	-110.1	168.9	-152.3	40.8	-36.4	0	0	0	116.9
420	N	33.2	Very low	32.9	Very low	160 Å²	160	150.6 Å²	150.6	86%	0.856	83%	0.827	S	S	*	*			trans	-150.7	129.7	146.2	-156.1	31.8	0	0	0	110.3
421	P	34.1	Very low	33.4	Very low	105 Å²	105	148.8 Å²	148.8	68%	0.682	82%	0.817	S	S	*	*			trans	-103.7	142.4	-172.8	36.7	-31.2	0	0	0	113.8
422	E	38.3	Very low	34.4	Very low	185 Å²	185	150.1 Å²	150.1	86%	0.864	82%	0.82	S	S	*	*			trans	-163.2	128.6	152.7	-117.5	162.9	-142.9	0	0	112.5
423	H	34.3	Very low	36	Very low	179 Å²	179	143.8 Å²	143.8	83%	0.829	79%	0.787	S	S	*	*			trans	11.4	114.8	167.5	-69	-94.7	0	0	0	121.2
424	I	35.6	Very low	38.2	Very low	166 Å²	166	140.9 Å²	140.9	85%	0.851	77%	0.771	S	S	*	*				-164.1	151.6	117.5	-97.2	150.9	0	0	0	108.2
425	A	30.3	Very low	40.9	Very low	101 Å²	101	134.4 Å²	134.4	84%	0.835	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-80.4	123.1	-171.3	0	0	0	0	0	113.1
426	E	33	Very low	44	Very low	190 Å²	190	128.4 Å²	128.4	89%	0.888	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-99.3	145.9	166.6	-65	-168.5	128	0	0	110.8
427	C	32.7	Very low	46.9	Very low	129 Å²	129	122.7 Å²	122.7	87%	0.872	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-76.1	139.2	178.6	-71.2	0	0	0	0	111.6	L429	C427-L429 PolarHBondContact O-N 3.19Å
428	T	29.1	Very low	49.8	Very low	125 Å²	125	115.2 Å²	115.2	77%	0.767	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-53.6	121.4	177.9	50	0	0	0	0	113
429	L	35.8	Very low	52.4	Low	166 Å²	166	112.2 Å²	112.2	87%	0.869	62%	0.623	S	S	*	*			trans	-111.3	36	168.3	-162.9	113.4	0	0	0	111.2	C427 S431	C427-L429 PolarHBondContact O-N 3.19Å; L429-S431 PolarHBondContact O-N 3.22Å; L429-S431 VanDerWaalsContact O-N 3.11Å
430	D	30.9	Very low	55.1	Low	152 Å²	152	106.7 Å²	106.7	81%	0.813	59%	0.588	S	S	*	*			trans	-86.1	72.1	-175.3	-76.9	-51.8	0	0	0	113.2
431	S	42.5	Very low	57.6	Low	93 Å²	93	99.2 Å²	99.2	65%	0.65	55%	0.548	S	S	*	.			trans	-167.4	96.8	150.7	53.8	0	0	0	0	110.5	L429 D433	L429-S431 PolarHBondContact O-N 3.22Å; L429-S431 VanDerWaalsContact O-N 3.11Å; S431-D433 PolarHBondContact O-N 3.36Å
432	V	52.3	Low	59.7	Low	142 Å²	142	95.6 Å²	95.6	86%	0.861	53%	0.53	S	S	*	.			trans	-72.1	116	161.6	179.1	0	0	0	0	106.9	K434	V432-K434 PolarHBondContact O-N 2.99Å
433	D	62.5	Low	61.6	Low	34 Å²	34	88.4 Å²	88.4	18%	0.182	50%	0.497	C	S	.	.			trans	-58.5	97.3	-178	-70.3	-39.9	0	0	0	110.7	S431 I435 N481 L497 N503	S431-D433 PolarHBondContact O-N 3.36Å; D433-I435 PolarHBondContact O-N 3.16Å; D433-I435 VanDerWaalsContact O-N 3.13Å; D433-N481 WeakPolarHBondContact CA-OD1 3.48Å; D433-N481 PolarHBondContact OD1-ND2 2.84Å; D433-N481 PolarHBondContact OD1-OD1 3.47Å; D433-L497 HydrophobicContact CB-CD2 4.04Å; D433-N503 PolarHBondContact OD2-ND2 2.9Å
434	K	79.9	Confident	63.2	Low	123 Å²	123	82.8 Å²	82.8	54%	0.535	48%	0.481	S	S	.	.			trans	-81.4	102	-169.8	-158.8	-168.2	-171.2	-157.7	0	109.9	V432 E436	V432-K434 PolarHBondContact O-N 2.99Å; K434-E436 HydrophobicContact CD-CG 4.37Å; K434-E436 WeakPolarHBondContact CE-OE1 3.43Å; K434-E436 HydrophobicContact CG-CG 4.32Å; K434-E436 IonicContact NZ-OE1 3.04Å; K434-E436 PolarHBondContact NZ-OE1 3.17Å
435	I	90.6	Very high	64.5	Low	67 Å²	67	81.6 Å²	81.6	34%	0.344	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.3	176.9	-59.7	158.1	0	0	0	109	D433 V478 K479 I480 I494 L497	D433-I435 PolarHBondContact O-N 3.16Å; D433-I435 VanDerWaalsContact O-N 3.13Å; I435-V478 HydrophobicContact CG2-CG1 3.86Å; I435-K479 WeakPolarHBondContact CA-O 3.48Å; I435-I480 HydrophobicContact CG1-CG1 4.36Å; I435-I480 HydrophobicContact CG1-CG2 4.42Å; I435-I494 HydrophobicContact CD1-CD1 4.49Å; I435-I494 HydrophobicContact CD1-CG1 3.98Å; I435-I494 HydrophobicContact CD1-CG2 4.44Å; I435-I494 HydrophobicContact CG2-CD1 3.91Å; I435-I494 HydrophobicContact CG2-CG1 4.49Å; I435-L497 HydrophobicContact CD1-CD2 4.27Å
436	E	92.5	Very high	66	Low	35 Å²	35	82.2 Å²	82.2	16%	0.164	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147.1	176.4	-55.7	178.7	137.5	0	0	109.9	K434 F454 V478 K479	K434-E436 HydrophobicContact CD-CG 4.37Å; K434-E436 WeakPolarHBondContact CE-OE1 3.43Å; K434-E436 HydrophobicContact CG-CG 4.32Å; K434-E436 IonicContact NZ-OE1 3.04Å; K434-E436 PolarHBondContact NZ-OE1 3.17Å; E436-F454 HydrophobicContact CB-CE1 3.78Å; E436-F454 HydrophobicContact CB-CZ 3.8Å; E436-V478 WeakPolarHBondContact O-CA 3.47Å; E436-K479 HydrophobicContact CB-CB 4.28Å; E436-K479 PolarHBondContact N-O 3.31Å; E436-K479 PolarHBondContact O-N 3.1Å; E436-K479 WeakPolarHBondContact OE2-CD 3.31Å; E436-K479 IonicContact OE2-NZ 2.77Å; E436-K479 PolarHBondContact OE2-NZ 2.8Å
437	L	93.3	Very high	67.5	Low	33 Å²	33	78.2 Å²	78.2	17%	0.173	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139.6	-178.5	-63	177.7	0	0	0	110.7	M458 V459 L476 V478	L437-M458 CarbonylContact O-C 3.48Å; L437-M458 WeakPolarHBondContact O-CA 3.19Å; L437-M458 WeakPolarHBondContact O-CG 3.14Å; L437-V459 HydrophobicContact CB-CB 3.97Å; L437-V459 HydrophobicContact CB-CG2 4.37Å; L437-V459 PolarHBondContact O-N 2.86Å; L437-L476 HydrophobicContact CB-CD1 4.34Å; L437-L476 HydrophobicContact CD2-CD1 4.32Å; L437-V478 HydrophobicContact CD2-CB 4.21Å; L437-V478 HydrophobicContact CD2-CG1 3.95Å; L437-V478 HydrophobicContact CD2-CG2 3.71Å
438	S	94	Very high	69.2	Low	0 Å²	0	78.6 Å²	78.6	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	144.1	176.9	-177	0	0	0	0	112.2	C440 F454 H457 V477	S438-C440 VanDerWaalsContact C-N 3.28Å; S438-C440 PolarHBondContact O-N 3.3Å; S438-C440 WeakPolarHBondContact OG-CB 3.44Å; S438-C440 PolarHBondContact OG-N 3.04Å; S438-C440 PolarHBondContact OG-SG 2.98Å; S438-F454 WeakPolarHBondContact CB-O 3.4Å; S438-F454 PolarHBondContact OG-O 3.33Å; S438-H457 CarbonylContact C-O 3.56Å; S438-H457 VanDerWaalsContact CA-O 3.3Å; S438-H457 WeakPolarHBondContact CA-O 3.27Å; S438-H457 VanDerWaalsContact OG-C 3.29Å; S438-H457 PolarHBondContact OG-O 3.32Å; S438-V477 PolarHBondContact N-O 3.49Å; S438-V477 WeakPolarHBondContact O-CB 3.41Å; S438-V477 PolarHBondContact O-N 3.41Å
439	L	92.2	Very high	71.6	Confident	48 Å²	48	73.5 Å²	73.5	25%	0.251	40%	0.404	S	S	.	.			trans	-92.5	21.6	177	-64.2	164.7	0	0	0	112.7	G441 H457 V459 L470 D473 N475 L476	L439-G441 VanDerWaalsContact C-N 3.28Å; L439-G441 PolarHBondContact O-N 2.87Å; L439-H457 HydrophobicContact CB-CB 4.42Å; L439-H457 PolarHBondContact N-O 2.85Å; L439-V459 HydrophobicContact CD1-CG2 3.87Å; L439-V459 HydrophobicContact CD2-CG2 4.43Å; L439-V459 HydrophobicContact CG-CG2 3.64Å; L439-L470 HydrophobicContact CD1-CD2 3.87Å; L439-D473 HydrophobicContact CD2-CB 3.75Å; L439-N475 CarbonylContact C-O 3.58Å; L439-N475 WeakPolarHBondContact O-CB 3.39Å; L439-L476 HydrophobicContact CD2-CB 4.28Å; L439-L476 HydrophobicContact CD2-CD1 4.24Å
440	C	89.5	Confident	73.7	Confident	8 Å²	8	69 Å²	69	5%	0.054	39%	0.386	C	S	.	.			trans	-71.8	-14.6	-174.1	64.3	0	0	0	0	114.8	S438 K453 H457 V477	S438-C440 VanDerWaalsContact C-N 3.28Å; S438-C440 PolarHBondContact O-N 3.3Å; S438-C440 WeakPolarHBondContact OG-CB 3.44Å; S438-C440 PolarHBondContact OG-N 3.04Å; S438-C440 PolarHBondContact OG-SG 2.98Å; C440-K453 HydrophobicContact CB-CD 4.27Å; C440-K453 HydrophobicContact CB-CG 4.14Å; C440-K453 WeakPolarHBondContact CB-O 3.47Å; C440-K453 WeakPolarHBondContact O-CE 3.12Å; C440-K453 PolarHBondContact O-NZ 2.93Å; C440-H457 HydrophobicContact CB-CB 4.01Å; C440-V477 WeakPolarHBondContact SG-CG2 3.45Å
441	G	86	Confident	76.2	Confident	3 Å²	3	66.9 Å²	66.9	3%	0.031	38%	0.375	C	S	.	.			trans	54.5	-159.6	179.9	0	0	0	0	0	115.1	L439 I449 N475	L439-G441 VanDerWaalsContact C-N 3.28Å; L439-G441 PolarHBondContact O-N 2.87Å; G441-I449 WeakPolarHBondContact O-CD1 3.08Å; G441-N475 VanDerWaalsContact CA-O 3.29Å; G441-N475 WeakPolarHBondContact CA-O 3.41Å; G441-N475 PolarHBondContact N-O 3.28Å
442	G	79	Confident	78.2	Confident	29 Å²	29	69.2 Å²	69.2	30%	0.299	38%	0.375	S	S	.	.			trans	90.5	-4.2	168.7	0	0	0	0	0	117.6	A444 D445 N446	G442-A444 PolarHBondContact O-N 3.41Å; G442-D445 PolarHBondContact O-N 3.24Å; G442-N446 PolarHBondContact O-N 2.94Å
443	L	78	Confident	79.9	Confident	34 Å²	34	66.3 Å²	66.3	18%	0.178	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-11.6	177.8	-65.1	93.8	0	0	0	114.4	N446 I449 V477 H484 M517	L443-N446 WeakPolarHBondContact CA-O 3.42Å; L443-I449 HydrophobicContact CD1-CD1 3.58Å; L443-I449 HydrophobicContact CG-CD1 3.74Å; L443-V477 HydrophobicContact CD1-CB 4.08Å; L443-V477 HydrophobicContact CD1-CG1 3.87Å; L443-V477 HydrophobicContact CD1-CG2 3.38Å; L443-H484 HydrophobicContact CD2-CB 4.12Å; L443-H484 WeakPolarHBondContact CD2-O 3.36Å; L443-M517 HydrophobicContact CB-CE 4.35Å; L443-M517 HydrophobicContact CD2-CE 3.46Å; L443-M517 VanDerWaalsContact CD2-CE 3.46Å
444	A	67	Low	81.2	Confident	60 Å²	60	64.7 Å²	64.7	50%	0.496	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-29.1	173.4	0	0	0	0	0	112.8	G442	G442-A444 PolarHBondContact O-N 3.41Å
445	D	64.2	Low	81.6	Confident	142 Å²	142	62.5 Å²	62.5	76%	0.759	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-35	-168.5	-52.7	-49.8	0	0	0	112	G442	G442-D445 PolarHBondContact O-N 3.24Å
446	N	62.1	Low	81.6	Confident	114 Å²	114	65.8 Å²	65.8	61%	0.61	35%	0.353	S	S	*	.			trans	-147.3	144.9	169.1	-109.1	-19.4	0	0	0	110.2	G442 L443 D448	G442-N446 PolarHBondContact O-N 2.94Å; L443-N446 WeakPolarHBondContact CA-O 3.42Å; N446-D448 VanDerWaalsContact C-N 3.32Å
447	R	62.8	Low	81.4	Confident	106 Å²	106	68.2 Å²	68.2	40%	0.4	37%	0.365	S	S	.	.	S	Bend	trans	-71.1	-32.3	171.9	-77.4	-172.2	166.7	-143.6	-9.4	112.1	I449 E513	R447-I449 PolarHBondContact O-N 3.22Å; R447-E513 IonicContact CZ-OE2 2.57Å; R447-E513 IonicContact NH1-OE1 2.67Å; R447-E513 IonicContact NH1-OE2 3.91Å; R447-E513 PolarHBondContact NH1-OE2 3.12Å; R447-E513 IonicContact NH2-OE2 2.97Å; R447-E513 PolarHBondContact NH2-OE2 2.71Å
448	D	69	Low	81.4	Confident	136 Å²	136	71.5 Å²	71.5	73%	0.727	38%	0.38	S	S	*	.			trans	-90.3	89.9	-172.4	-50	-47.5	0	0	0	109.4	N446	N446-D448 VanDerWaalsContact C-N 3.32Å
449	I	79.3	Confident	81.2	Confident	19 Å²	19	72.5 Å²	72.5	10%	0.097	39%	0.386	C	S	.	.			trans	-74.9	127.7	171.1	-68.2	168.6	0	0	0	108.2	G441 L443 R447 K453 F454 V477 H484	G441-I449 WeakPolarHBondContact O-CD1 3.08Å; L443-I449 HydrophobicContact CD1-CD1 3.58Å; L443-I449 HydrophobicContact CG-CD1 3.74Å; R447-I449 PolarHBondContact O-N 3.22Å; I449-K453 HydrophobicContact CG2-CB 4.44Å; I449-F454 HydrophobicContact CG2-CB 4.02Å; I449-V477 HydrophobicContact CD1-CB 4.43Å; I449-V477 HydrophobicContact CD1-CG1 3.78Å; I449-V477 HydrophobicContact CD1-CG2 3.89Å; I449-H484 HydrophobicContact CD1-CB 4.33Å
450	S	81	Confident	81.2	Confident	70 Å²	70	72.5 Å²	72.5	49%	0.49	39%	0.39	S	S	.	.			trans	-64.2	136.6	175.2	56.7	0	0	0	0	110.8	E452 K453 F454	S450-E452 PolarHBondContact O-N 3.07Å; S450-E452 VanDerWaalsContact O-N 3.15Å; S450-K453 PolarHBondContact O-N 2.82Å; S450-K453 WeakPolarHBondContact OG-CB 3.48Å; S450-F454 PolarHBondContact O-N 2.58Å; S450-F454 VanDerWaalsContact O-N 3.11Å
451	L	83.2	Confident	81.1	Confident	108 Å²	108	81 Å²	81	57%	0.565	42%	0.423	S	S	*	.	H	α-helix	trans	-53.9	-38.6	-177.1	-176.5	63.8	0	0	0	112	F454 T455	L451-F454 PolarHBondContact O-N 3.22Å; L451-T455 HydrophobicContact CD1-CG2 4.24Å; L451-T455 HydrophobicContact CG-CG2 4.42Å; L451-T455 WeakPolarHBondContact O-CG2 3.16Å; L451-T455 PolarHBondContact O-N 3.28Å; L451-T455 PolarHBondContact O-OG1 3.1Å
452	E	84.4	Confident	81.4	Confident	143 Å²	143	86.5 Å²	86.5	67%	0.668	45%	0.447	S	S	*	.	H	α-helix	trans	-58.6	-47	174.3	-61	-179.9	165.6	0	0	112.7	S450 F454 T455 Q456	S450-E452 PolarHBondContact O-N 3.07Å; S450-E452 VanDerWaalsContact O-N 3.15Å; E452-F454 VanDerWaalsContact C-N 3.31Å; E452-F454 PolarHBondContact O-N 2.92Å; E452-T455 PolarHBondContact O-N 2.87Å; E452-T455 PolarHBondContact O-OG1 2.66Å; E452-Q456 VanDerWaalsContact O-CB 3.31Å; E452-Q456 WeakPolarHBondContact O-CB 3.15Å; E452-Q456 WeakPolarHBondContact O-CG 3.45Å; E452-Q456 PolarHBondContact O-N 3.38Å
453	K	87.1	Confident	81.9	Confident	80 Å²	80	88.2 Å²	88.2	35%	0.348	45%	0.45	S	S	.	.	H	α-helix	trans	-67	-36.7	-179	-161.1	-158.3	-174.3	-159.3	0	111	C440 I449 S450 H457	C440-K453 HydrophobicContact CB-CD 4.27Å; C440-K453 HydrophobicContact CB-CG 4.14Å; C440-K453 WeakPolarHBondContact CB-O 3.47Å; C440-K453 WeakPolarHBondContact O-CE 3.12Å; C440-K453 PolarHBondContact O-NZ 2.93Å; I449-K453 HydrophobicContact CG2-CB 4.44Å; S450-K453 PolarHBondContact O-N 2.82Å; S450-K453 WeakPolarHBondContact OG-CB 3.48Å; K453-H457 PolarHBondContact O-ND1 2.99Å
454	F	91.2	Very high	82.3	Confident	1 Å²	1	89 Å²	89	0%	0.004	45%	0.454	C	S	.	.	H	α-helix	trans	-65.9	-50.1	175.4	-173.7	-88.3	0	0	0	111.7	E436 S438 I449 S450 L451 E452 Q456 H457 M458 V477 K479 H484	E436-F454 HydrophobicContact CB-CE1 3.78Å; E436-F454 HydrophobicContact CB-CZ 3.8Å; S438-F454 WeakPolarHBondContact CB-O 3.4Å; S438-F454 PolarHBondContact OG-O 3.33Å; I449-F454 HydrophobicContact CG2-CB 4.02Å; S450-F454 PolarHBondContact O-N 2.58Å; S450-F454 VanDerWaalsContact O-N 3.11Å; L451-F454 PolarHBondContact O-N 3.22Å; E452-F454 VanDerWaalsContact C-N 3.31Å; E452-F454 PolarHBondContact O-N 2.92Å; F454-Q456 PolarHBondContact O-N 3.25Å; F454-H457 PolarHBondContact O-N 2.94Å; F454-M458 PolarHBondContact O-N 3.09Å; F454-V477 HydrophobicContact CD2-CB 4.43Å; F454-V477 HydrophobicContact CD2-CG1 4.12Å; F454-V477 HydrophobicContact CE2-CB 4.15Å; F454-V477 HydrophobicContact CE2-CG1 3.88Å; F454-K479 HydrophobicContact CE1-CB 4.24Å; F454-K479 HydrophobicContact CE1-CD 4.15Å; F454-K479 HydrophobicContact CE2-CB 3.75Å; F454-K479 HydrophobicContact CZ-CB 3.5Å; F454-K479 HydrophobicContact CZ-CD 4.21Å; F454-H484 AromaticContact CD2-CD2 3.71Å; F454-H484 AromaticContact CD2-NE2 3.68Å; F454-H484 AromaticContact CE2-CD2 3.89Å
455	T	88.2	Confident	83.2	Confident	76 Å²	76	89.9 Å²	89.9	47%	0.466	45%	0.453	S	S	.	.	H	α-helix	trans	-67.1	-34.3	-179.1	53.6	0	0	0	0	112.9	L451 E452 H457 M458	L451-T455 HydrophobicContact CD1-CG2 4.24Å; L451-T455 HydrophobicContact CG-CG2 4.42Å; L451-T455 WeakPolarHBondContact O-CG2 3.16Å; L451-T455 PolarHBondContact O-N 3.28Å; L451-T455 PolarHBondContact O-OG1 3.1Å; E452-T455 PolarHBondContact O-N 2.87Å; E452-T455 PolarHBondContact O-OG1 2.66Å; T455-H457 PolarHBondContact O-N 2.86Å; T455-M458 WeakPolarHBondContact O-CB 3.4Å; T455-M458 PolarHBondContact O-N 3.45Å
456	Q	89	Confident	84.4	Confident	136 Å²	136	89.8 Å²	89.8	64%	0.636	45%	0.446	S	S	*	.	H	α-helix	trans	-59.8	-24.6	175	-78.4	166.5	10.7	0	0	114.6	E452 F454	E452-Q456 VanDerWaalsContact O-CB 3.31Å; E452-Q456 WeakPolarHBondContact O-CB 3.15Å; E452-Q456 WeakPolarHBondContact O-CG 3.45Å; E452-Q456 PolarHBondContact O-N 3.38Å; F454-Q456 PolarHBondContact O-N 3.25Å
457	H	89.3	Confident	85.5	Confident	87 Å²	87	88.1 Å²	88.1	40%	0.403	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	19.5	-176.8	-55.8	80.2	0	0	0	112.3	S438 L439 C440 K453 F454 T455 V459	S438-H457 CarbonylContact C-O 3.56Å; S438-H457 VanDerWaalsContact CA-O 3.3Å; S438-H457 WeakPolarHBondContact CA-O 3.27Å; S438-H457 VanDerWaalsContact OG-C 3.29Å; S438-H457 PolarHBondContact OG-O 3.32Å; L439-H457 HydrophobicContact CB-CB 4.42Å; L439-H457 PolarHBondContact N-O 2.85Å; C440-H457 HydrophobicContact CB-CB 4.01Å; K453-H457 PolarHBondContact O-ND1 2.99Å; F454-H457 PolarHBondContact O-N 2.94Å; T455-H457 PolarHBondContact O-N 2.86Å; H457-V459 PolarHBondContact O-N 3.39Å
458	M	92.4	Very high	86.6	Confident	102 Å²	102	87.5 Å²	87.5	50%	0.502	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-63.2	129	-177	-171.7	177.7	68.2	0	0	111.2	L437 F454 T455	L437-M458 CarbonylContact O-C 3.48Å; L437-M458 WeakPolarHBondContact O-CA 3.19Å; L437-M458 WeakPolarHBondContact O-CG 3.14Å; F454-M458 PolarHBondContact O-N 3.09Å; T455-M458 WeakPolarHBondContact O-CB 3.4Å; T455-M458 PolarHBondContact O-N 3.45Å
459	V	91.4	Very high	87.4	Confident	20 Å²	20	82.6 Å²	82.6	12%	0.121	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-84.8	119.1	-178.5	-178.4	0	0	0	0	109.3	L437 L439 H457 D463 L464 L470	L437-V459 HydrophobicContact CB-CB 3.97Å; L437-V459 HydrophobicContact CB-CG2 4.37Å; L437-V459 PolarHBondContact O-N 2.86Å; L439-V459 HydrophobicContact CD1-CG2 3.87Å; L439-V459 HydrophobicContact CD2-CG2 4.43Å; L439-V459 HydrophobicContact CG-CG2 3.64Å; H457-V459 PolarHBondContact O-N 3.39Å; V459-D463 HydrophobicContact CG1-CB 4.02Å; V459-L464 HydrophobicContact CG1-CB 4.35Å; V459-L470 HydrophobicContact CG1-CD1 3.9Å
460	S	91.2	Very high	87.8	Confident	49 Å²	49	82.8 Å²	82.8	34%	0.343	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-81.8	165.3	174.7	77.7	0	0	0	0	112.1	E462 D463 L464	S460-E462 PolarHBondContact O-N 2.84Å; S460-E462 PolarHBondContact OG-N 3.49Å; S460-D463 VanDerWaalsContact CB-OD2 3.24Å; S460-D463 WeakPolarHBondContact CB-OD2 3.19Å; S460-D463 PolarHBondContact N-OD2 2.91Å; S460-D463 PolarHBondContact O-N 3.21Å; S460-D463 VanDerWaalsContact O-N 3.09Å; S460-D463 PolarHBondContact OG-N 2.91Å; S460-D463 PolarHBondContact OG-OD2 3.08Å; S460-L464 PolarHBondContact O-N 3.14Å; S460-L464 VanDerWaalsContact O-N 3.12Å
461	Y	88.2	Confident	88.1	Confident	186 Å²	186	81.8 Å²	81.8	73%	0.729	42%	0.418	S	S	*	.	H	α-helix	trans	-58.1	-33.2	170.4	177.5	-99.6	0	0	0	112.3	T465	Y461-T465 HydrophobicContact CD1-CG2 4.35Å; Y461-T465 HydrophobicContact CD2-CG2 4.45Å; Y461-T465 HydrophobicContact CE1-CG2 3.85Å; Y461-T465 HydrophobicContact CE2-CG2 3.98Å; Y461-T465 WeakPolarHBondContact O-CB 3.22Å; Y461-T465 WeakPolarHBondContact O-CG2 3.31Å; Y461-T465 PolarHBondContact O-N 3.16Å; Y461-T465 PolarHBondContact O-OG1 2.83Å
462	E	90.7	Very high	88.2	Confident	118 Å²	118	83.5 Å²	83.5	55%	0.551	43%	0.428	S	S	*	.	H	α-helix	trans	-66.8	-38	174.4	-78.5	-164.2	-146.8	0	0	112.4	S460 T465 K466	S460-E462 PolarHBondContact O-N 2.84Å; S460-E462 PolarHBondContact OG-N 3.49Å; E462-T465 WeakPolarHBondContact CA-OG1 3.33Å; E462-T465 PolarHBondContact O-N 2.95Å; E462-T465 PolarHBondContact O-OG1 3.37Å; E462-T465 VanDerWaalsContact O-OG1 3.07Å; E462-K466 WeakPolarHBondContact O-CB 3.37Å; E462-K466 WeakPolarHBondContact O-CD 3.39Å; E462-K466 WeakPolarHBondContact O-CG 3.49Å; E462-K466 PolarHBondContact O-N 2.89Å; E462-K466 WeakPolarHBondContact OE2-CE 3.23Å; E462-K466 IonicContact OE2-NZ 3.24Å; E462-K466 PolarHBondContact OE2-NZ 3.28Å
463	D	89.7	Confident	88.3	Confident	65 Å²	65	79.5 Å²	79.5	35%	0.348	41%	0.411	S	S	.	.	H	α-helix	trans	-71.1	-40.9	-179.1	-54.9	-51.6	0	0	0	111.1	V459 S460 K466 N467 L470	V459-D463 HydrophobicContact CG1-CB 4.02Å; S460-D463 VanDerWaalsContact CB-OD2 3.24Å; S460-D463 WeakPolarHBondContact CB-OD2 3.19Å; S460-D463 PolarHBondContact N-OD2 2.91Å; S460-D463 PolarHBondContact O-N 3.21Å; S460-D463 VanDerWaalsContact O-N 3.09Å; S460-D463 PolarHBondContact OG-N 2.91Å; S460-D463 PolarHBondContact OG-OD2 3.08Å; D463-K466 PolarHBondContact O-N 3.01Å; D463-N467 PolarHBondContact O-N 2.96Å; D463-L470 HydrophobicContact CB-CD1 4.03Å
464	L	87.4	Confident	88.2	Confident	50 Å²	50	80.7 Å²	80.7	26%	0.262	43%	0.427	S	S	.	.	H	α-helix	trans	-67.4	-33	176.1	-175.7	62.9	0	0	0	112.8	V459 S460 N467 P468 L471	V459-L464 HydrophobicContact CG1-CB 4.35Å; S460-L464 PolarHBondContact O-N 3.14Å; S460-L464 VanDerWaalsContact O-N 3.12Å; L464-N467 CarbonylContact O-C 3.56Å; L464-N467 VanDerWaalsContact O-C 3.27Å; L464-P468 WeakPolarHBondContact O-CA 3.22Å; L464-P468 VanDerWaalsContact O-N 3.16Å; L464-L471 HydrophobicContact CD1-CD1 4.26Å; L464-L471 HydrophobicContact CD1-CD2 4.02Å; L464-L471 HydrophobicContact CD1-CG 3.84Å
465	T	84.6	Confident	88.2	Confident	79 Å²	79	84.5 Å²	84.5	49%	0.485	45%	0.447	S	S	.	.	H	α-helix	trans	-78	-33.2	174.6	47.4	0	0	0	0	112.8	Y461 E462	Y461-T465 HydrophobicContact CD1-CG2 4.35Å; Y461-T465 HydrophobicContact CD2-CG2 4.45Å; Y461-T465 HydrophobicContact CE1-CG2 3.85Å; Y461-T465 HydrophobicContact CE2-CG2 3.98Å; Y461-T465 WeakPolarHBondContact O-CB 3.22Å; Y461-T465 WeakPolarHBondContact O-CG2 3.31Å; Y461-T465 PolarHBondContact O-N 3.16Å; Y461-T465 PolarHBondContact O-OG1 2.83Å; E462-T465 WeakPolarHBondContact CA-OG1 3.33Å; E462-T465 PolarHBondContact O-N 2.95Å; E462-T465 PolarHBondContact O-OG1 3.37Å; E462-T465 VanDerWaalsContact O-OG1 3.07Å
466	K	90	Very high	88.4	Confident	141 Å²	141	81.2 Å²	81.2	61%	0.613	43%	0.427	S	S	*	.	H	α-helix	trans	-70.3	-34.7	171.4	-69.6	160.9	-163.4	166.9	0	112.4	E462 D463	E462-K466 WeakPolarHBondContact O-CB 3.37Å; E462-K466 WeakPolarHBondContact O-CD 3.39Å; E462-K466 WeakPolarHBondContact O-CG 3.49Å; E462-K466 PolarHBondContact O-N 2.89Å; E462-K466 WeakPolarHBondContact OE2-CE 3.23Å; E462-K466 IonicContact OE2-NZ 3.24Å; E462-K466 PolarHBondContact OE2-NZ 3.28Å; D463-K466 PolarHBondContact O-N 3.01Å
467	N	84.9	Confident	88.6	Confident	79 Å²	79	74.7 Å²	74.7	42%	0.422	40%	0.397	S	S	.	.			trans	-141.2	90.5	177.5	-177.9	13.5	0	0	0	111.9	D463 L464 G469 L470	D463-N467 PolarHBondContact O-N 2.96Å; L464-N467 CarbonylContact O-C 3.56Å; L464-N467 VanDerWaalsContact O-C 3.27Å; N467-G469 PolarHBondContact O-N 2.83Å; N467-G469 VanDerWaalsContact O-N 3.09Å; N467-G469 WeakPolarHBondContact OD1-CA 3.47Å; N467-G469 PolarHBondContact OD1-N 2.93Å; N467-L470 HydrophobicContact CB-CD1 4.43Å; N467-L470 HydrophobicContact CB-CG 4.06Å; N467-L470 VanDerWaalsContact O-CG 3.3Å; N467-L470 WeakPolarHBondContact O-CG 3.23Å; N467-L470 PolarHBondContact O-N 3.3Å; N467-L470 VanDerWaalsContact O-N 3.14Å
468	P	85.4	Confident	88.8	Confident	93 Å²	93	70.6 Å²	70.6	60%	0.604	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-65.9	-11	174.7	26.4	-34.8	0	0	0	113.5	L464 L470	L464-P468 WeakPolarHBondContact O-CA 3.22Å; L464-P468 VanDerWaalsContact O-N 3.16Å; P468-L470 PolarHBondContact O-N 2.97Å
469	G	86.6	Confident	88.8	Confident	32 Å²	32	66.1 Å²	66.1	33%	0.33	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-72.8	-7.1	172.6	0	0	0	0	0	114.5	N467 L471 D472	N467-G469 PolarHBondContact O-N 2.83Å; N467-G469 VanDerWaalsContact O-N 3.09Å; N467-G469 WeakPolarHBondContact OD1-CA 3.47Å; N467-G469 PolarHBondContact OD1-N 2.93Å; G469-L471 PolarHBondContact O-N 2.87Å; G469-D472 PolarHBondContact O-N 3.1Å
470	L	87.7	Confident	88.7	Confident	23 Å²	23	65.5 Å²	65.5	12%	0.12	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-61.3	-21.6	173.9	-68.4	179.3	0	0	0	113.2	L439 V459 D463 N467 P468 D472 D473	L439-L470 HydrophobicContact CD1-CD2 3.87Å; V459-L470 HydrophobicContact CG1-CD1 3.9Å; D463-L470 HydrophobicContact CB-CD1 4.03Å; N467-L470 HydrophobicContact CB-CD1 4.43Å; N467-L470 HydrophobicContact CB-CG 4.06Å; N467-L470 VanDerWaalsContact O-CG 3.3Å; N467-L470 WeakPolarHBondContact O-CG 3.23Å; N467-L470 PolarHBondContact O-N 3.3Å; N467-L470 VanDerWaalsContact O-N 3.14Å; P468-L470 PolarHBondContact O-N 2.97Å; L470-D472 PolarHBondContact O-N 3.31Å; L470-D473 WeakPolarHBondContact O-CB 3.12Å; L470-D473 PolarHBondContact O-N 3.33Å
471	L	87	Confident	88.3	Confident	50 Å²	50	66.9 Å²	66.9	26%	0.262	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-70.7	-16.6	173.9	-60.6	-179.7	0	0	0	113.7	L464 G469 L476 W487	L464-L471 HydrophobicContact CD1-CD1 4.26Å; L464-L471 HydrophobicContact CD1-CD2 4.02Å; L464-L471 HydrophobicContact CD1-CG 3.84Å; G469-L471 PolarHBondContact O-N 2.87Å; L471-L476 HydrophobicContact CD2-CD2 3.96Å; L471-W487 HydrophobicContact CB-CZ2 4.41Å; L471-W487 HydrophobicContact CD1-CH2 4.39Å; L471-W487 HydrophobicContact CD1-CZ2 4.09Å; L471-W487 HydrophobicContact CD2-CH2 4.02Å; L471-W487 HydrophobicContact CD2-CZ2 4.16Å; L471-W487 HydrophobicContact CD2-CZ3 4.21Å; L471-W487 HydrophobicContact CG-CZ2 4.45Å; L471-W487 VanDerWaalsContact O-CD1 3.26Å
472	D	84.9	Confident	88.1	Confident	144 Å²	144	64.1 Å²	64.1	77%	0.77	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-96.5	1.1	175.2	-68.3	-43.1	0	0	0	112.7	G469 L470	G469-D472 PolarHBondContact O-N 3.1Å; L470-D472 PolarHBondContact O-N 3.31Å
473	D	86.4	Confident	88	Confident	58 Å²	58	63.7 Å²	63.7	31%	0.31	35%	0.345	S	S	.	.			trans	-71.8	129	-177.4	-165.2	-68.7	0	0	0	111.8	L439 L470 N475 L476	L439-D473 HydrophobicContact CD2-CB 3.75Å; L470-D473 WeakPolarHBondContact O-CB 3.12Å; L470-D473 PolarHBondContact O-N 3.33Å; D473-N475 PolarHBondContact O-N 2.75Å; D473-N475 VanDerWaalsContact O-N 3.12Å; D473-N475 WeakPolarHBondContact OD1-CA 3.42Å; D473-N475 VanDerWaalsContact OD1-CB 3.27Å; D473-N475 WeakPolarHBondContact OD1-CB 3.26Å; D473-N475 PolarHBondContact OD1-N 2.86Å; D473-N475 PolarHBondContact OD1-ND2 3.48Å; D473-L476 WeakPolarHBondContact O-CB 3.26Å; D473-L476 PolarHBondContact O-N 2.77Å
474	P	85.9	Confident	88.1	Confident	105 Å²	105	62.2 Å²	62.2	68%	0.682	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.1	-178.9	28.6	-36.7	0	0	0	114.5
475	N	90.3	Very high	88.3	Confident	81 Å²	81	60.2 Å²	60.2	43%	0.433	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-0.5	175.2	-50.4	-78.7	0	0	0	112.8	L439 G441 D473 V477	L439-N475 CarbonylContact C-O 3.58Å; L439-N475 WeakPolarHBondContact O-CB 3.39Å; G441-N475 VanDerWaalsContact CA-O 3.29Å; G441-N475 WeakPolarHBondContact CA-O 3.41Å; G441-N475 PolarHBondContact N-O 3.28Å; D473-N475 PolarHBondContact O-N 2.75Å; D473-N475 VanDerWaalsContact O-N 3.12Å; D473-N475 WeakPolarHBondContact OD1-CA 3.42Å; D473-N475 VanDerWaalsContact OD1-CB 3.27Å; D473-N475 WeakPolarHBondContact OD1-CB 3.26Å; D473-N475 PolarHBondContact OD1-N 2.86Å; D473-N475 PolarHBondContact OD1-ND2 3.48Å; N475-V477 WeakPolarHBondContact O-CG2 3.29Å; N475-V477 PolarHBondContact O-N 2.51Å
476	L	92.6	Very high	88.7	Confident	7 Å²	7	58 Å²	58	4%	0.037	31%	0.31	C	S	.	.			trans	-65.6	120.4	-179.3	-178.5	61.4	0	0	0	111.7	L437 L439 L471 D473 W487	L437-L476 HydrophobicContact CB-CD1 4.34Å; L437-L476 HydrophobicContact CD2-CD1 4.32Å; L439-L476 HydrophobicContact CD2-CB 4.28Å; L439-L476 HydrophobicContact CD2-CD1 4.24Å; L471-L476 HydrophobicContact CD2-CD2 3.96Å; D473-L476 WeakPolarHBondContact O-CB 3.26Å; D473-L476 PolarHBondContact O-N 2.77Å; L476-W487 HydrophobicContact CD2-CB 4.33Å; L476-W487 HydrophobicContact CD2-CD2 4.33Å; L476-W487 HydrophobicContact CD2-CE3 4.2Å; L476-W487 HydrophobicContact CD2-CG 4.39Å
477	V	93.4	Very high	88.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.4	173.2	-171.7	0	0	0	0	108.3	S438 C440 L443 I449 F454 N475 H484	S438-V477 PolarHBondContact N-O 3.49Å; S438-V477 WeakPolarHBondContact O-CB 3.41Å; S438-V477 PolarHBondContact O-N 3.41Å; C440-V477 WeakPolarHBondContact SG-CG2 3.45Å; L443-V477 HydrophobicContact CD1-CB 4.08Å; L443-V477 HydrophobicContact CD1-CG1 3.87Å; L443-V477 HydrophobicContact CD1-CG2 3.38Å; I449-V477 HydrophobicContact CD1-CB 4.43Å; I449-V477 HydrophobicContact CD1-CG1 3.78Å; I449-V477 HydrophobicContact CD1-CG2 3.89Å; F454-V477 HydrophobicContact CD2-CB 4.43Å; F454-V477 HydrophobicContact CD2-CG1 4.12Å; F454-V477 HydrophobicContact CE2-CB 4.15Å; F454-V477 HydrophobicContact CE2-CG1 3.88Å; N475-V477 WeakPolarHBondContact O-CG2 3.29Å; N475-V477 PolarHBondContact O-N 2.51Å; V477-H484 HydrophobicContact CG1-CB 4.02Å
478	V	93.4	Very high	89.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126	166.6	-168.4	0	0	0	0	107.8	I435 E436 L437 I480 Y485 W487 A490 I494	I435-V478 HydrophobicContact CG2-CG1 3.86Å; E436-V478 WeakPolarHBondContact O-CA 3.47Å; L437-V478 HydrophobicContact CD2-CB 4.21Å; L437-V478 HydrophobicContact CD2-CG1 3.95Å; L437-V478 HydrophobicContact CD2-CG2 3.71Å; V478-I480 HydrophobicContact CG1-CD1 4.05Å; V478-I480 HydrophobicContact CG1-CG1 3.69Å; V478-Y485 PolarHBondContact N-O 3.1Å; V478-Y485 PolarHBondContact O-N 3.42Å; V478-W487 HydrophobicContact CG2-CE3 3.73Å; V478-W487 HydrophobicContact CG2-CZ3 4.24Å; V478-A490 HydrophobicContact CB-CB 3.53Å; V478-A490 HydrophobicContact CG1-CB 3.9Å; V478-A490 HydrophobicContact CG2-CB 3.45Å; V478-A490 VanDerWaalsContact CG2-CB 3.45Å; V478-I494 HydrophobicContact CG1-CD1 4.1Å
479	K	92.5	Very high	89.5	Confident	9 Å²	9	48 Å²	48	4%	0.039	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.2	168.6	-175.8	-178.2	164.9	-147.1	0	108.1	I435 E436 F454 E482 K483	I435-K479 WeakPolarHBondContact CA-O 3.48Å; E436-K479 HydrophobicContact CB-CB 4.28Å; E436-K479 PolarHBondContact N-O 3.31Å; E436-K479 PolarHBondContact O-N 3.1Å; E436-K479 WeakPolarHBondContact OE2-CD 3.31Å; E436-K479 IonicContact OE2-NZ 2.77Å; E436-K479 PolarHBondContact OE2-NZ 2.8Å; F454-K479 HydrophobicContact CE1-CB 4.24Å; F454-K479 HydrophobicContact CE1-CD 4.15Å; F454-K479 HydrophobicContact CE2-CB 3.75Å; F454-K479 HydrophobicContact CZ-CB 3.5Å; F454-K479 HydrophobicContact CZ-CD 4.21Å; K479-E482 WeakPolarHBondContact CE-OE1 3.31Å; K479-E482 WeakPolarHBondContact CE-OE2 3.4Å; K479-E482 IonicContact NZ-OE1 2.72Å; K479-E482 PolarHBondContact NZ-OE1 2.87Å; K479-E482 IonicContact NZ-OE2 3.91Å; K479-E482 PolarHBondContact NZ-OE2 3.43Å; K479-K483 WeakPolarHBondContact CA-O 3.45Å
480	I	89.5	Confident	89.8	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	120.6	175.9	-49.4	-179.9	0	0	0	106.6	I435 V478 E482 K483 Y485 A490 M493 I494	I435-I480 HydrophobicContact CG1-CG1 4.36Å; I435-I480 HydrophobicContact CG1-CG2 4.42Å; V478-I480 HydrophobicContact CG1-CD1 4.05Å; V478-I480 HydrophobicContact CG1-CG1 3.69Å; I480-E482 PolarHBondContact O-N 3.44Å; I480-K483 PolarHBondContact N-O 3.32Å; I480-K483 PolarHBondContact O-N 2.79Å; I480-Y485 HydrophobicContact CB-CD2 4.17Å; I480-Y485 HydrophobicContact CB-CE2 4.17Å; I480-Y485 HydrophobicContact CD1-CD2 4.38Å; I480-Y485 HydrophobicContact CG1-CD2 4.23Å; I480-A490 HydrophobicContact CD1-CB 4.04Å; I480-M493 HydrophobicContact CB-CE 4.45Å; I480-M493 HydrophobicContact CD1-CB 4.17Å; I480-M493 HydrophobicContact CD1-CE 4.07Å; I480-M493 HydrophobicContact CD1-SD 4.34Å; I480-M493 HydrophobicContact CG2-CE 4.32Å; I480-I494 HydrophobicContact CD1-CD1 4.37Å; I480-I494 HydrophobicContact CD1-CG1 3.98Å
481	N	83.2	Confident	90	Very high	79 Å²	79	46.7 Å²	46.7	42%	0.422	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	54.2	178.3	-61	-0.2	0	0	0	112.6	D433 K483	D433-N481 WeakPolarHBondContact CA-OD1 3.48Å; D433-N481 PolarHBondContact OD1-ND2 2.84Å; D433-N481 PolarHBondContact OD1-OD1 3.47Å; N481-K483 PolarHBondContact O-N 2.56Å
482	E	84	Confident	90.3	Very high	128 Å²	128	46.5 Å²	46.5	60%	0.598	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	-1.3	-175.6	-58.1	-54.9	114.4	0	0	116.9	K479 I480	K479-E482 WeakPolarHBondContact CE-OE1 3.31Å; K479-E482 WeakPolarHBondContact CE-OE2 3.4Å; K479-E482 IonicContact NZ-OE1 2.72Å; K479-E482 PolarHBondContact NZ-OE1 2.87Å; K479-E482 IonicContact NZ-OE2 3.91Å; K479-E482 PolarHBondContact NZ-OE2 3.43Å; I480-E482 PolarHBondContact O-N 3.44Å
483	K	88.6	Confident	90.7	Very high	109 Å²	109	40.5 Å²	40.5	47%	0.474	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	140	172.1	-67.2	176.9	-176.1	172.8	0	110.9	K479 I480 N481 Y485	K479-K483 WeakPolarHBondContact CA-O 3.45Å; I480-K483 PolarHBondContact N-O 3.32Å; I480-K483 PolarHBondContact O-N 2.79Å; N481-K483 PolarHBondContact O-N 2.56Å; K483-Y485 HydrophobicContact CB-CD2 4.39Å; K483-Y485 HydrophobicContact CB-CE2 3.53Å; K483-Y485 VanDerWaalsContact CD-OH 3.25Å; K483-Y485 WeakPolarHBondContact CD-OH 3.5Å
484	H	91.7	Very high	91	Very high	34 Å²	34	39.7 Å²	39.7	16%	0.157	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.7	178.7	-62.4	101.9	0	0	0	111.5	L443 I449 F454 V477	L443-H484 HydrophobicContact CD2-CB 4.12Å; L443-H484 WeakPolarHBondContact CD2-O 3.36Å; I449-H484 HydrophobicContact CD1-CB 4.33Å; F454-H484 AromaticContact CD2-CD2 3.71Å; F454-H484 AromaticContact CD2-NE2 3.68Å; F454-H484 AromaticContact CE2-CD2 3.89Å; V477-H484 HydrophobicContact CG1-CB 4.02Å
485	Y	91.8	Very high	91.2	Very high	7 Å²	7	40.3 Å²	40.3	3%	0.027	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	155.5	-176.6	-64.7	-75.6	0	0	0	111.1	V478 I480 K483 V489 M493 V509 E513 M517	V478-Y485 PolarHBondContact N-O 3.1Å; V478-Y485 PolarHBondContact O-N 3.42Å; I480-Y485 HydrophobicContact CB-CD2 4.17Å; I480-Y485 HydrophobicContact CB-CE2 4.17Å; I480-Y485 HydrophobicContact CD1-CD2 4.38Å; I480-Y485 HydrophobicContact CG1-CD2 4.23Å; K483-Y485 HydrophobicContact CB-CD2 4.39Å; K483-Y485 HydrophobicContact CB-CE2 3.53Å; K483-Y485 VanDerWaalsContact CD-OH 3.25Å; K483-Y485 WeakPolarHBondContact CD-OH 3.5Å; Y485-V489 HydrophobicContact CD1-CB 4.01Å; Y485-V489 HydrophobicContact CD1-CG1 3.52Å; Y485-V489 HydrophobicContact CE1-CG1 3.92Å; Y485-V489 HydrophobicContact CG-CG1 4.37Å; Y485-M493 HydrophobicContact CD1-SD 4.41Å; Y485-M493 HydrophobicContact CD2-CE 4.42Å; Y485-M493 HydrophobicContact CD2-SD 4.4Å; Y485-M493 HydrophobicContact CE1-SD 4.22Å; Y485-M493 HydrophobicContact CE2-CE 3.82Å; Y485-M493 HydrophobicContact CE2-SD 4.21Å; Y485-M493 HydrophobicContact CG-SD 4.5Å; Y485-V509 HydrophobicContact CE1-CG1 4.05Å; Y485-E513 HydrophobicContact CE1-CG 4.11Å; Y485-E513 WeakPolarHBondContact CE1-OE1 3.4Å; Y485-M517 HydrophobicContact CD1-SD 4.28Å
486	N	93.1	Very high	91.3	Very high	33 Å²	33	37 Å²	37	18%	0.176	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	162.8	161.2	70.4	3.6	0	0	0	110.3	A488 V489 A490 K516 M517	N486-A488 PolarHBondContact O-N 3.01Å; N486-A488 WeakPolarHBondContact OD1-CB 3.27Å; N486-A488 PolarHBondContact OD1-N 3.03Å; N486-V489 PolarHBondContact O-N 3.36Å; N486-V489 VanDerWaalsContact O-N 3.13Å; N486-V489 PolarHBondContact OD1-N 3.21Å; N486-V489 VanDerWaalsContact OD1-N 3.16Å; N486-A490 WeakPolarHBondContact O-CB 3.28Å; N486-A490 PolarHBondContact O-N 3.36Å; N486-K516 PolarHBondContact ND2-O 2.87Å; N486-M517 HydrophobicContact CB-CG 4.42Å; N486-M517 HydrophobicContact CB-SD 4.44Å; N486-M517 VanDerWaalsContact CG-CG 3.49Å; N486-M517 WeakPolarHBondContact ND2-CG 3.27Å; N486-M517 WeakPolarHBondContact OD1-CG 3.36Å
487	W	93	Very high	91.1	Very high	83 Å²	83	38.8 Å²	38.8	31%	0.314	20%	0.199	S	C	.	.	H	α-helix	trans	-53.9	-28.6	178.6	-171	-125.7	0	0	0	113.5	L471 L476 V478 V489 A491 I494	L471-W487 HydrophobicContact CB-CZ2 4.41Å; L471-W487 HydrophobicContact CD1-CH2 4.39Å; L471-W487 HydrophobicContact CD1-CZ2 4.09Å; L471-W487 HydrophobicContact CD2-CH2 4.02Å; L471-W487 HydrophobicContact CD2-CZ2 4.16Å; L471-W487 HydrophobicContact CD2-CZ3 4.21Å; L471-W487 HydrophobicContact CG-CZ2 4.45Å; L471-W487 VanDerWaalsContact O-CD1 3.26Å; L476-W487 HydrophobicContact CD2-CB 4.33Å; L476-W487 HydrophobicContact CD2-CD2 4.33Å; L476-W487 HydrophobicContact CD2-CE3 4.2Å; L476-W487 HydrophobicContact CD2-CG 4.39Å; V478-W487 HydrophobicContact CG2-CE3 3.73Å; V478-W487 HydrophobicContact CG2-CZ3 4.24Å; W487-V489 PolarHBondContact O-N 3.08Å; W487-A491 HydrophobicContact CD2-CB 4.11Å; W487-A491 HydrophobicContact CE3-CB 4.47Å; W487-A491 HydrophobicContact CH2-CB 4.41Å; W487-A491 HydrophobicContact CZ2-CB 4.08Å; W487-A491 WeakPolarHBondContact O-CB 3.17Å; W487-A491 PolarHBondContact O-N 2.84Å; W487-I494 HydrophobicContact CZ3-CD1 4.09Å
488	A	90.7	Very high	90.7	Very high	19 Å²	19	46.6 Å²	46.6	16%	0.157	24%	0.235	C	C	.	.	H	α-helix	trans	-68.6	-31.3	-179.5	0	0	0	0	0	115	N486 P492 K516 W524	N486-A488 PolarHBondContact O-N 3.01Å; N486-A488 WeakPolarHBondContact OD1-CB 3.27Å; N486-A488 PolarHBondContact OD1-N 3.03Å; A488-P492 WeakPolarHBondContact O-CD 3.38Å; A488-K516 HydrophobicContact CB-CB 3.83Å; A488-K516 HydrophobicContact CB-CG 4.23Å; A488-W524 HydrophobicContact CB-CE3 4.41Å; A488-W524 HydrophobicContact CB-CH2 3.22Å; A488-W524 HydrophobicContact CB-CZ2 3.63Å; A488-W524 HydrophobicContact CB-CZ3 3.64Å
489	V	93	Very high	90.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-92.4	-38.5	173.8	-179.8	0	0	0	0	110.4	Y485 N486 W487 P492 M493 V509 L512 E513 K516 M517	Y485-V489 HydrophobicContact CD1-CB 4.01Å; Y485-V489 HydrophobicContact CD1-CG1 3.52Å; Y485-V489 HydrophobicContact CE1-CG1 3.92Å; Y485-V489 HydrophobicContact CG-CG1 4.37Å; N486-V489 PolarHBondContact O-N 3.36Å; N486-V489 VanDerWaalsContact O-N 3.13Å; N486-V489 PolarHBondContact OD1-N 3.21Å; N486-V489 VanDerWaalsContact OD1-N 3.16Å; W487-V489 PolarHBondContact O-N 3.08Å; V489-P492 WeakPolarHBondContact O-CD 3.32Å; V489-M493 HydrophobicContact CG1-SD 3.96Å; V489-M493 WeakPolarHBondContact O-CG 3.33Å; V489-V509 HydrophobicContact CG1-CG1 4.38Å; V489-L512 HydrophobicContact CG1-CB 4.01Å; V489-L512 HydrophobicContact CG2-CB 4.24Å; V489-E513 HydrophobicContact CG1-CG 4.31Å; V489-K516 HydrophobicContact CG2-CB 3.86Å; V489-K516 HydrophobicContact CG2-CG 4.37Å; V489-M517 HydrophobicContact CB-SD 4.16Å; V489-M517 HydrophobicContact CG2-CG 3.86Å; V489-M517 HydrophobicContact CG2-SD 3.65Å
490	A	93.3	Very high	90.5	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-67.8	-42.1	-178.3	0	0	0	0	0	113.9	V478 I480 N486 M493 I494	V478-A490 HydrophobicContact CB-CB 3.53Å; V478-A490 HydrophobicContact CG1-CB 3.9Å; V478-A490 HydrophobicContact CG2-CB 3.45Å; V478-A490 VanDerWaalsContact CG2-CB 3.45Å; I480-A490 HydrophobicContact CD1-CB 4.04Å; N486-A490 WeakPolarHBondContact O-CB 3.28Å; N486-A490 PolarHBondContact O-N 3.36Å; A490-M493 WeakPolarHBondContact O-CA 3.31Å; A490-M493 WeakPolarHBondContact O-CB 3.45Å; A490-M493 PolarHBondContact O-N 2.87Å; A490-I494 HydrophobicContact CB-CD1 4.48Å; A490-I494 WeakPolarHBondContact O-CG1 3.32Å; A490-I494 PolarHBondContact O-N 3.47Å
491	A	92.6	Very high	90.4	Very high	29 Å²	29	62.3 Å²	62.3	24%	0.24	32%	0.317	C	S	.	.	H	α-helix	trans	-61	-42.9	-176.8	0	0	0	0	0	113.1	W487 M493 L495	W487-A491 HydrophobicContact CD2-CB 4.11Å; W487-A491 HydrophobicContact CE3-CB 4.47Å; W487-A491 HydrophobicContact CH2-CB 4.41Å; W487-A491 HydrophobicContact CZ2-CB 4.08Å; W487-A491 WeakPolarHBondContact O-CB 3.17Å; W487-A491 PolarHBondContact O-N 2.84Å; A491-M493 VanDerWaalsContact C-N 3.33Å; A491-M493 PolarHBondContact O-N 3.13Å; A491-L495 WeakPolarHBondContact O-CB 3.47Å; A491-L495 PolarHBondContact O-N 2.99Å
492	P	92.5	Very high	90.6	Very high	46 Å²	46	65.8 Å²	65.8	30%	0.299	33%	0.328	S	S	.	.	H	α-helix	trans	-57.8	-38	168.2	-28.2	35.3	0	0	0	114.9	A488 V489 S496 L504 L512	A488-P492 WeakPolarHBondContact O-CD 3.38Å; V489-P492 WeakPolarHBondContact O-CD 3.32Å; P492-S496 WeakPolarHBondContact O-CB 3.47Å; P492-S496 PolarHBondContact O-N 3.48Å; P492-L504 HydrophobicContact CB-CD1 3.94Å; P492-L512 HydrophobicContact CB-CD1 3.88Å; P492-L512 HydrophobicContact CG-CD1 4.29Å; P492-L512 HydrophobicContact CG-CD2 4.4Å
493	M	93	Very high	90.9	Very high	17 Å²	17	63 Å²	63	8%	0.084	32%	0.317	C	S	.	.	H	α-helix	trans	-68.4	-51.3	179	-65.2	167.8	65.7	0	0	111.1	I480 Y485 V489 A490 A491 L495 S496 L497 L504 V509	I480-M493 HydrophobicContact CB-CE 4.45Å; I480-M493 HydrophobicContact CD1-CB 4.17Å; I480-M493 HydrophobicContact CD1-CE 4.07Å; I480-M493 HydrophobicContact CD1-SD 4.34Å; I480-M493 HydrophobicContact CG2-CE 4.32Å; Y485-M493 HydrophobicContact CD1-SD 4.41Å; Y485-M493 HydrophobicContact CD2-CE 4.42Å; Y485-M493 HydrophobicContact CD2-SD 4.4Å; Y485-M493 HydrophobicContact CE1-SD 4.22Å; Y485-M493 HydrophobicContact CE2-CE 3.82Å; Y485-M493 HydrophobicContact CE2-SD 4.21Å; Y485-M493 HydrophobicContact CG-SD 4.5Å; V489-M493 HydrophobicContact CG1-SD 3.96Å; V489-M493 WeakPolarHBondContact O-CG 3.33Å; A490-M493 WeakPolarHBondContact O-CA 3.31Å; A490-M493 WeakPolarHBondContact O-CB 3.45Å; A490-M493 PolarHBondContact O-N 2.87Å; A491-M493 VanDerWaalsContact C-N 3.33Å; A491-M493 PolarHBondContact O-N 3.13Å; M493-L495 VanDerWaalsContact C-N 3.34Å; M493-L495 PolarHBondContact O-N 3.22Å; M493-S496 WeakPolarHBondContact O-CB 3.14Å; M493-S496 PolarHBondContact O-N 3.42Å; M493-L497 PolarHBondContact O-N 3.02Å; M493-L504 HydrophobicContact CG-CD1 4.03Å; M493-V509 HydrophobicContact CE-CG1 4.31Å; M493-V509 HydrophobicContact CE-CG2 4.4Å; M493-V509 HydrophobicContact CG-CG2 4.24Å; M493-V509 HydrophobicContact SD-CG1 3.92Å; M493-V509 HydrophobicContact SD-CG2 4.26Å
494	I	92	Very high	90.9	Very high	41 Å²	41	59.7 Å²	59.7	21%	0.21	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-42	178	-62	171.2	0	0	0	110.6	I435 V478 I480 W487 A490 S496 L497 Q498	I435-I494 HydrophobicContact CD1-CD1 4.49Å; I435-I494 HydrophobicContact CD1-CG1 3.98Å; I435-I494 HydrophobicContact CD1-CG2 4.44Å; I435-I494 HydrophobicContact CG2-CD1 3.91Å; I435-I494 HydrophobicContact CG2-CG1 4.49Å; V478-I494 HydrophobicContact CG1-CD1 4.1Å; I480-I494 HydrophobicContact CD1-CD1 4.37Å; I480-I494 HydrophobicContact CD1-CG1 3.98Å; W487-I494 HydrophobicContact CZ3-CD1 4.09Å; A490-I494 HydrophobicContact CB-CD1 4.48Å; A490-I494 WeakPolarHBondContact O-CG1 3.32Å; A490-I494 PolarHBondContact O-N 3.47Å; I494-S496 VanDerWaalsContact C-N 3.35Å; I494-S496 PolarHBondContact O-N 3.1Å; I494-L497 PolarHBondContact O-N 3.17Å; I494-Q498 WeakPolarHBondContact O-CB 3.42Å; I494-Q498 PolarHBondContact O-N 2.67Å
495	L	92	Very high	90.9	Very high	118 Å²	118	61.9 Å²	61.9	62%	0.618	32%	0.322	S	S	*	.	H	α-helix	trans	-65.9	-36.8	177.5	-175.6	62.2	0	0	0	111.9	A491 M493 A499	A491-L495 WeakPolarHBondContact O-CB 3.47Å; A491-L495 PolarHBondContact O-N 2.99Å; M493-L495 VanDerWaalsContact C-N 3.34Å; M493-L495 PolarHBondContact O-N 3.22Å; L495-A499 WeakPolarHBondContact O-CB 3.39Å; L495-A499 PolarHBondContact O-N 3.04Å
496	S	91.2	Very high	90.7	Very high	13 Å²	13	68.3 Å²	68.3	9%	0.091	35%	0.352	C	S	.	.	H	α-helix	trans	-63.7	-45.3	172.9	-172.5	0	0	0	0	111.7	P492 M493 I494 F500 K502	P492-S496 WeakPolarHBondContact O-CB 3.47Å; P492-S496 PolarHBondContact O-N 3.48Å; M493-S496 WeakPolarHBondContact O-CB 3.14Å; M493-S496 PolarHBondContact O-N 3.42Å; I494-S496 VanDerWaalsContact C-N 3.35Å; I494-S496 PolarHBondContact O-N 3.1Å; S496-F500 WeakPolarHBondContact O-CB 3.31Å; S496-F500 PolarHBondContact O-N 3.04Å; S496-K502 CarbonylContact C-O 3.57Å; S496-K502 WeakPolarHBondContact CB-O 3.37Å; S496-K502 PolarHBondContact OG-O 2.89Å
497	L	88.5	Confident	90.7	Very high	44 Å²	44	70.1 Å²	70.1	23%	0.23	37%	0.367	C	S	.	.	H	α-helix	trans	-62.5	-45.7	177.6	-171.4	64	0	0	0	111.2	D433 I435 M493 I494 Q501 K502	D433-L497 HydrophobicContact CB-CD2 4.04Å; I435-L497 HydrophobicContact CD1-CD2 4.27Å; M493-L497 PolarHBondContact O-N 3.02Å; I494-L497 PolarHBondContact O-N 3.17Å; L497-Q501 WeakPolarHBondContact O-CA 3.45Å; L497-Q501 PolarHBondContact O-N 3.21Å; L497-K502 PolarHBondContact N-O 3.06Å
498	Q	85.6	Confident	90.6	Very high	163 Å²	163	68.6 Å²	68.6	76%	0.762	37%	0.367	S	S	*	.	H	α-helix	trans	-72.8	-37.5	-178.7	-169.8	65.6	16.2	0	0	113.5	I494	I494-Q498 WeakPolarHBondContact O-CB 3.42Å; I494-Q498 PolarHBondContact O-N 2.67Å
499	A	89	Confident	90.6	Very high	60 Å²	60	68.3 Å²	68.3	50%	0.496	36%	0.363	S	S	.	.	H	α-helix	trans	-89	-27.3	-175.3	0	0	0	0	0	114.1	L495	L495-A499 WeakPolarHBondContact O-CB 3.39Å; L495-A499 PolarHBondContact O-N 3.04Å
500	F	91.8	Very high	90.5	Very high	147 Å²	147	73 Å²	73	65%	0.645	39%	0.388	S	S	*	.	H	α-helix	trans	-125.5	0.4	-174.8	-52.7	-61.1	0	0	0	114.2	S496 K502	S496-F500 WeakPolarHBondContact O-CB 3.31Å; S496-F500 PolarHBondContact O-N 3.04Å; F500-K502 HydrophobicContact CB-CB 4.4Å; F500-K502 WeakPolarHBondContact O-CG 3.48Å; F500-K502 PolarHBondContact O-N 2.99Å
501	Q	89	Confident	90.4	Very high	139 Å²	139	79.6 Å²	79.6	65%	0.65	42%	0.417	S	S	*	.	S	Bend	trans	54.2	31.7	-174.2	-61.1	-179.6	1.9	0	0	112.6	H372 L497	H372-Q501 PolarHBondContact CE1-OE1 3.05Å; L497-Q501 WeakPolarHBondContact O-CA 3.45Å; L497-Q501 PolarHBondContact O-N 3.21Å
502	K	86.9	Confident	90.3	Very high	151 Å²	151	79.5 Å²	79.5	66%	0.657	41%	0.413	S	S	*	.	S	Bend	trans	-145.2	129.9	-172.9	-73.2	170.6	-173.5	170.5	0	111.3	S496 L497 F500	S496-K502 CarbonylContact C-O 3.57Å; S496-K502 WeakPolarHBondContact CB-O 3.37Å; S496-K502 PolarHBondContact OG-O 2.89Å; L497-K502 PolarHBondContact N-O 3.06Å; F500-K502 HydrophobicContact CB-CB 4.4Å; F500-K502 WeakPolarHBondContact O-CG 3.48Å; F500-K502 PolarHBondContact O-N 2.99Å
503	N	89.3	Confident	90.1	Very high	70 Å²	70	78.4 Å²	78.4	37%	0.374	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-63.7	150.9	168.4	-76	-54.1	0	0	0	111.9	D433	D433-N503 PolarHBondContact OD2-ND2 2.9Å
504	L	89.2	Confident	89.8	Confident	40 Å²	40	86.2 Å²	86.2	21%	0.209	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-64.6	142	172	-70.8	178	0	0	0	110.1	P492 M493 E506 T508 V509 L512	P492-L504 HydrophobicContact CB-CD1 3.94Å; M493-L504 HydrophobicContact CG-CD1 4.03Å; L504-E506 PolarHBondContact O-N 2.83Å; L504-T508 HydrophobicContact CD1-CG2 4.39Å; L504-V509 HydrophobicContact CB-CG2 3.9Å; L504-L512 HydrophobicContact CD1-CD1 3.77Å
505	P	90.8	Very high	89.5	Confident	80 Å²	80	89.5 Å²	89.5	52%	0.519	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-55.6	140.2	171.5	-24.1	33.6	0	0	0	111.1	S507 T508 V509	P505-S507 PolarHBondContact O-N 2.94Å; P505-S507 VanDerWaalsContact O-N 3.16Å; P505-T508 WeakPolarHBondContact O-CA 3.4Å; P505-T508 VanDerWaalsContact O-CB 3.29Å; P505-T508 WeakPolarHBondContact O-CB 3.41Å; P505-T508 PolarHBondContact O-N 3.34Å; P505-V509 PolarHBondContact O-N 3.13Å; P505-V509 VanDerWaalsContact O-N 3.16Å
506	E	89.6	Confident	89.2	Confident	141 Å²	141	85.5 Å²	85.5	66%	0.659	43%	0.429	S	S	*	.	H	α-helix	trans	-55.2	-39.3	-176.8	-66.2	-166.8	117.5	0	0	112.4	L504 T508 V509 D510	L504-E506 PolarHBondContact O-N 2.83Å; E506-T508 PolarHBondContact O-N 3.48Å; E506-V509 CarbonylContact O-C 3.36Å; E506-V509 WeakPolarHBondContact O-CA 3.47Å; E506-V509 WeakPolarHBondContact O-CB 3.29Å; E506-V509 PolarHBondContact O-N 2.94Å; E506-D510 PolarHBondContact O-N 3.49Å
507	S	91.3	Very high	88.8	Confident	71 Å²	71	86.2 Å²	86.2	50%	0.497	43%	0.431	S	S	.	.	H	α-helix	trans	-66	-9.3	176	69.5	0	0	0	0	115.1	P505 K511	P505-S507 PolarHBondContact O-N 2.94Å; P505-S507 VanDerWaalsContact O-N 3.16Å; S507-K511 WeakPolarHBondContact O-CD 3.5Å; S507-K511 WeakPolarHBondContact O-CE 3.39Å; S507-K511 VanDerWaalsContact O-CG 3.24Å; S507-K511 WeakPolarHBondContact O-CG 3.32Å
508	T	91.1	Very high	87.7	Confident	51 Å²	51	87.3 Å²	87.3	31%	0.313	44%	0.441	S	S	.	.	H	α-helix	trans	-93.4	-38.1	167.5	-60.3	0	0	0	0	110.9	L504 P505 E506 K511 L512	L504-T508 HydrophobicContact CD1-CG2 4.39Å; P505-T508 WeakPolarHBondContact O-CA 3.4Å; P505-T508 VanDerWaalsContact O-CB 3.29Å; P505-T508 WeakPolarHBondContact O-CB 3.41Å; P505-T508 PolarHBondContact O-N 3.34Å; E506-T508 PolarHBondContact O-N 3.48Å; T508-K511 PolarHBondContact O-N 2.85Å; T508-L512 HydrophobicContact CG2-CD1 4.37Å; T508-L512 WeakPolarHBondContact O-CG 3.26Å; T508-L512 PolarHBondContact O-N 3.12Å
509	V	91.7	Very high	86.5	Confident	13 Å²	13	90 Å²	90	8%	0.079	44%	0.444	C	S	.	.	H	α-helix	trans	-62.8	-44.8	173.4	-177.4	0	0	0	0	110.8	Y485 V489 M493 L504 P505 E506 K511 L512 E513	Y485-V509 HydrophobicContact CE1-CG1 4.05Å; V489-V509 HydrophobicContact CG1-CG1 4.38Å; M493-V509 HydrophobicContact CE-CG1 4.31Å; M493-V509 HydrophobicContact CE-CG2 4.4Å; M493-V509 HydrophobicContact CG-CG2 4.24Å; M493-V509 HydrophobicContact SD-CG1 3.92Å; M493-V509 HydrophobicContact SD-CG2 4.26Å; L504-V509 HydrophobicContact CB-CG2 3.9Å; P505-V509 PolarHBondContact O-N 3.13Å; P505-V509 VanDerWaalsContact O-N 3.16Å; E506-V509 CarbonylContact O-C 3.36Å; E506-V509 WeakPolarHBondContact O-CA 3.47Å; E506-V509 WeakPolarHBondContact O-CB 3.29Å; E506-V509 PolarHBondContact O-N 2.94Å; V509-K511 VanDerWaalsContact C-N 3.28Å; V509-K511 PolarHBondContact O-N 2.89Å; V509-L512 CarbonylContact O-C 3.52Å; V509-L512 WeakPolarHBondContact O-CB 3.32Å; V509-L512 PolarHBondContact O-N 2.91Å; V509-L512 VanDerWaalsContact O-N 3.09Å; V509-E513 PolarHBondContact O-N 2.82Å
510	D	90.3	Very high	84.8	Confident	98 Å²	98	96 Å²	96	52%	0.524	46%	0.459	S	S	.	.	H	α-helix	trans	-57.9	-38.4	174.6	-72.3	-28.4	0	0	0	112.6	E506 K514	E506-D510 PolarHBondContact O-N 3.49Å; D510-K514 VanDerWaalsContact O-CB 3.23Å; D510-K514 WeakPolarHBondContact O-CB 3.41Å; D510-K514 PolarHBondContact O-N 2.94Å
511	K	90.7	Very high	82.6	Confident	140 Å²	140	92.1 Å²	92.1	61%	0.609	46%	0.46	S	S	*	.	H	α-helix	trans	-68.3	-42.6	175.8	-71.8	168.7	-168.7	161.1	0	110.9	S507 T508 V509 K514 E515	S507-K511 WeakPolarHBondContact O-CD 3.5Å; S507-K511 WeakPolarHBondContact O-CE 3.39Å; S507-K511 VanDerWaalsContact O-CG 3.24Å; S507-K511 WeakPolarHBondContact O-CG 3.32Å; T508-K511 PolarHBondContact O-N 2.85Å; V509-K511 VanDerWaalsContact C-N 3.28Å; V509-K511 PolarHBondContact O-N 2.89Å; K511-K514 PolarHBondContact O-N 2.79Å; K511-E515 WeakPolarHBondContact O-CB 3.36Å; K511-E515 PolarHBondContact O-N 2.87Å
512	L	90.2	Very high	80.4	Confident	27 Å²	27	88.2 Å²	88.2	14%	0.141	46%	0.458	C	S	.	.	H	α-helix	trans	-64	-46.1	175.6	-74.3	167	0	0	0	111.5	V489 P492 L504 T508 V509 K514 E515 K516	V489-L512 HydrophobicContact CG1-CB 4.01Å; V489-L512 HydrophobicContact CG2-CB 4.24Å; P492-L512 HydrophobicContact CB-CD1 3.88Å; P492-L512 HydrophobicContact CG-CD1 4.29Å; P492-L512 HydrophobicContact CG-CD2 4.4Å; L504-L512 HydrophobicContact CD1-CD1 3.77Å; T508-L512 HydrophobicContact CG2-CD1 4.37Å; T508-L512 WeakPolarHBondContact O-CG 3.26Å; T508-L512 PolarHBondContact O-N 3.12Å; V509-L512 CarbonylContact O-C 3.52Å; V509-L512 WeakPolarHBondContact O-CB 3.32Å; V509-L512 PolarHBondContact O-N 2.91Å; V509-L512 VanDerWaalsContact O-N 3.09Å; L512-K514 VanDerWaalsContact C-N 3.33Å; L512-K514 PolarHBondContact O-N 2.92Å; L512-E515 PolarHBondContact O-N 2.82Å; L512-K516 WeakPolarHBondContact O-CB 3.49Å; L512-K516 WeakPolarHBondContact O-CG 3.1Å; L512-K516 PolarHBondContact O-N 2.93Å
513	E	89.1	Confident	78.6	Confident	23 Å²	23	90.7 Å²	90.7	11%	0.107	46%	0.463	C	S	.	.	H	α-helix	trans	-55.9	-47.6	172.3	-75.4	-169.1	-168.2	0	0	111.4	R447 Y485 V489 V509 E515 M517	R447-E513 IonicContact CZ-OE2 2.57Å; R447-E513 IonicContact NH1-OE1 2.67Å; R447-E513 IonicContact NH1-OE2 3.91Å; R447-E513 PolarHBondContact NH1-OE2 3.12Å; R447-E513 IonicContact NH2-OE2 2.97Å; R447-E513 PolarHBondContact NH2-OE2 2.71Å; Y485-E513 HydrophobicContact CE1-CG 4.11Å; Y485-E513 WeakPolarHBondContact CE1-OE1 3.4Å; V489-E513 HydrophobicContact CG1-CG 4.31Å; V509-E513 PolarHBondContact O-N 2.82Å; E513-E515 VanDerWaalsContact C-N 3.3Å; E513-E515 PolarHBondContact O-N 2.84Å; E513-M517 CarbonylContact O-C 3.52Å; E513-M517 VanDerWaalsContact O-CA 3.28Å; E513-M517 WeakPolarHBondContact O-CA 3.09Å; E513-M517 WeakPolarHBondContact O-CB 3.48Å; E513-M517 PolarHBondContact O-N 3.46Å
514	K	87.4	Confident	76.6	Confident	181 Å²	181	91 Å²	91	79%	0.787	46%	0.459	S	S	*	.	H	α-helix	trans	-65.8	-30.4	-178	-170.8	174.6	-179	179.4	0	113.2	D510 K511 L512	D510-K514 VanDerWaalsContact O-CB 3.23Å; D510-K514 WeakPolarHBondContact O-CB 3.41Å; D510-K514 PolarHBondContact O-N 2.94Å; K511-K514 PolarHBondContact O-N 2.79Å; L512-K514 VanDerWaalsContact C-N 3.33Å; L512-K514 PolarHBondContact O-N 2.92Å
515	E	85.1	Confident	74.5	Confident	110 Å²	110	95.4 Å²	95.4	51%	0.514	47%	0.473	S	S	.	.	H	α-helix	trans	-88.8	-37.5	179	-155.6	-139.8	135.7	0	0	113.4	K511 L512 E513	K511-E515 WeakPolarHBondContact O-CB 3.36Å; K511-E515 PolarHBondContact O-N 2.87Å; L512-E515 PolarHBondContact O-N 2.82Å; E513-E515 VanDerWaalsContact C-N 3.3Å; E513-E515 PolarHBondContact O-N 2.84Å
516	K	85.2	Confident	71.9	Confident	34 Å²	34	95.7 Å²	95.7	15%	0.148	47%	0.466	C	S	.	.	H	α-helix	trans	-109.3	-12.2	-170.2	-43.4	-59.2	-174	-172.7	0	114.6	N486 A488 V489 L512 W524	N486-K516 PolarHBondContact ND2-O 2.87Å; A488-K516 HydrophobicContact CB-CB 3.83Å; A488-K516 HydrophobicContact CB-CG 4.23Å; V489-K516 HydrophobicContact CG2-CB 3.86Å; V489-K516 HydrophobicContact CG2-CG 4.37Å; L512-K516 WeakPolarHBondContact O-CB 3.49Å; L512-K516 WeakPolarHBondContact O-CG 3.1Å; L512-K516 PolarHBondContact O-N 2.93Å; K516-W524 HydrophobicContact CD-CZ2 3.98Å
517	M	83.6	Confident	69.6	Low	27 Å²	27	91.3 Å²	91.3	13%	0.133	45%	0.451	C	S	.	.	S	Bend	trans	-127.4	55.4	176	-66.3	174.6	62.5	0	0	112.5	L443 Y485 N486 V489 E513	L443-M517 HydrophobicContact CB-CE 4.35Å; L443-M517 HydrophobicContact CD2-CE 3.46Å; L443-M517 VanDerWaalsContact CD2-CE 3.46Å; Y485-M517 HydrophobicContact CD1-SD 4.28Å; N486-M517 HydrophobicContact CB-CG 4.42Å; N486-M517 HydrophobicContact CB-SD 4.44Å; N486-M517 VanDerWaalsContact CG-CG 3.49Å; N486-M517 WeakPolarHBondContact ND2-CG 3.27Å; N486-M517 WeakPolarHBondContact OD1-CG 3.36Å; V489-M517 HydrophobicContact CB-SD 4.16Å; V489-M517 HydrophobicContact CG2-CG 3.86Å; V489-M517 HydrophobicContact CG2-SD 3.65Å; E513-M517 CarbonylContact O-C 3.52Å; E513-M517 VanDerWaalsContact O-CA 3.28Å; E513-M517 WeakPolarHBondContact O-CA 3.09Å; E513-M517 WeakPolarHBondContact O-CB 3.48Å; E513-M517 PolarHBondContact O-N 3.46Å
518	P	65.8	Low	67.1	Low	68 Å²	68	98.3 Å²	98.3	44%	0.442	47%	0.467	S	S	.	.			trans	-67.9	135.9	178.9	29.5	-35.7	0	0	0	112.3	K520	P518-K520 PolarHBondContact O-N 2.81Å
519	R	60.3	Low	65.1	Low	218 Å²	218	105.3 Å²	105.3	82%	0.823	49%	0.487	S	S	*	.	S	Bend	trans	-64.2	16.4	-177.5	-65.5	-174.2	174.9	-167.5	-2.3	116.6
520	K	52.4	Low	62.6	Low	187 Å²	187	114.5 Å²	114.5	81%	0.813	52%	0.521	S	S	*	.	S	Bend	trans	-127.9	102.6	173.9	-76.1	-171.2	173.6	-176.7	0	108.3	P518 G522	P518-K520 PolarHBondContact O-N 2.81Å; K520-G522 PolarHBondContact O-N 3.13Å
521	G	45	Very low	60	Low	65 Å²	65	119.4 Å²	119.4	67%	0.67	53%	0.532	S	S	*	.			trans	-53.9	118.1	-178.4	0	0	0	0	0	111.9
522	G	43.2	Very low	57.3	Low	58 Å²	58	119 Å²	119	60%	0.598	54%	0.536	S	S	*	.	S	Bend	trans	168.3	102	-178.3	0	0	0	0	0	115	K520 W524	K520-G522 PolarHBondContact O-N 3.13Å; G522-W524 PolarHBondContact O-N 2.96Å; G522-W524 VanDerWaalsContact O-N 3.13Å
523	R	49.9	Very low	54.5	Low	202 Å²	202	127.4 Å²	127.4	76%	0.762	57%	0.572	S	S	*	*			trans	64.3	16.6	152.4	-46.6	178.2	-167.2	-93.1	2.2	118.5	W525 F526	R523-W525 VanDerWaalsContact C-N 3.32Å; R523-W525 PolarHBondContact O-N 2.85Å; R523-F526 HydrophobicContact CB-CB 4.48Å; R523-F526 HydrophobicContact CB-CD2 3.91Å; R523-F526 HydrophobicContact CG-CD2 4.36Å; R523-F526 WeakPolarHBondContact O-CB 3.47Å; R523-F526 PolarHBondContact O-N 3.46Å
524	W	46.2	Very low	52	Low	76 Å²	76	132.7 Å²	132.7	29%	0.288	61%	0.609	S	S	.	*	H	α-helix	trans	-52.4	-44.6	179.5	173.5	78	0	0	0	113.3	A488 K516 G522 F526 S527	A488-W524 HydrophobicContact CB-CE3 4.41Å; A488-W524 HydrophobicContact CB-CH2 3.22Å; A488-W524 HydrophobicContact CB-CZ2 3.63Å; A488-W524 HydrophobicContact CB-CZ3 3.64Å; K516-W524 HydrophobicContact CD-CZ2 3.98Å; G522-W524 PolarHBondContact O-N 2.96Å; G522-W524 VanDerWaalsContact O-N 3.13Å; W524-F526 PolarHBondContact O-N 2.85Å; W524-F526 VanDerWaalsContact O-N 3.08Å; W524-S527 WeakPolarHBondContact O-CB 3.49Å; W524-S527 PolarHBondContact O-N 3Å; W524-S527 PolarHBondContact O-OG 2.81Å
525	W	45.6	Very low	49.3	Very low	133 Å²	133	128.3 Å²	128.3	50%	0.504	61%	0.606	S	S	.	*	H	α-helix	trans	-63.8	-18.1	179.2	70.6	-98.7	0	0	0	114.8	R523	R523-W525 VanDerWaalsContact C-N 3.32Å; R523-W525 PolarHBondContact O-N 2.85Å
526	F	36.7	Very low	46.9	Very low	87 Å²	87	131.7 Å²	131.7	38%	0.382	62%	0.622	S	S	.	*	H	α-helix	trans	-78.8	-19.1	172.3	-70.5	-80.5	0	0	0	113.2	R523 W524 W528 R529 R530	R523-F526 HydrophobicContact CB-CB 4.48Å; R523-F526 HydrophobicContact CB-CD2 3.91Å; R523-F526 HydrophobicContact CG-CD2 4.36Å; R523-F526 WeakPolarHBondContact O-CB 3.47Å; R523-F526 PolarHBondContact O-N 3.46Å; W524-F526 PolarHBondContact O-N 2.85Å; W524-F526 VanDerWaalsContact O-N 3.08Å; F526-W528 PolarHBondContact O-N 3.15Å; F526-R529 PolarHBondContact O-N 2.89Å; F526-R529 VanDerWaalsContact O-N 3.12Å; F526-R530 PolarHBondContact O-N 3.24Å
527	S	40.5	Very low	44.5	Very low	49 Å²	49	139.1 Å²	139.1	34%	0.343	66%	0.657	S	S	.	*	H	α-helix	trans	-69.3	-35.4	-176	71.3	0	0	0	0	112.5	W524 R529 R530	W524-S527 WeakPolarHBondContact O-CB 3.49Å; W524-S527 PolarHBondContact O-N 3Å; W524-S527 PolarHBondContact O-OG 2.81Å; S527-R529 PolarHBondContact O-N 2.95Å; S527-R530 PolarHBondContact O-N 2.87Å
528	W	39.1	Very low	42.1	Very low	218 Å²	218	145.9 Å²	145.9	83%	0.826	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-16.5	172.8	-105.5	11.1	0	0	0	113.5	F526	F526-W528 PolarHBondContact O-N 3.15Å
529	R	48.7	Very low	40.5	Very low	197 Å²	197	148.3 Å²	148.3	74%	0.743	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	9.3	178.4	-137.5	-170.2	-65.9	-158	1.2	113.7	F526 S527	F526-R529 PolarHBondContact O-N 2.89Å; F526-R529 VanDerWaalsContact O-N 3.12Å; S527-R529 PolarHBondContact O-N 2.95Å
530	R	40	Very low	39.1	Very low	206 Å²	206	143.4 Å²	143.4	78%	0.777	71%	0.706	S	S	*	*			trans	-150.4	26.4	-175.3	-144.1	-147.3	-68.7	-148.8	-1	118.1	F526 S527	F526-R530 PolarHBondContact O-N 3.24Å; S527-R530 PolarHBondContact O-N 2.87Å
531	R	35.2	Very low	38.4	Very low	201 Å²	201	143.8 Å²	143.8	76%	0.758	71%	0.711	S	S	*	*			trans	-89.3	132.2	146.4	-78.3	-177.7	179.5	127.1	-0.8	106.4
532	D	33.3	Very low	37.8	Very low	132 Å²	132	150.6 Å²	150.6	71%	0.706	72%	0.716	S	S	*	*	S	Bend	cis	-129.1	131.7	15.5	-64	-68.6	0	0	0	114.2
533	F	33.2	Very low	37.3	Very low	203 Å²	203	153.1 Å²	153.1	89%	0.89	71%	0.712	S	S	*	*			trans	-162.2	105.6	150	-86.1	-62.1	0	0	0	108.5	A535	F533-A535 PolarHBondContact O-N 2.65Å
534	P	36.1	Very low	36.6	Very low	135 Å²	135	151.9 Å²	151.9	88%	0.877	71%	0.712	S	S	*	*			trans	-72.8	119	166.5	29.4	-31	0	0	0	108.9
535	A	31.3	Very low	36.1	Very low	89 Å²	89	153.2 Å²	153.2	74%	0.736	74%	0.739	S	S	*	*			trans	-120.4	133.6	171.8	0	0	0	0	0	108.8	F533	F533-A535 PolarHBondContact O-N 2.65Å
536	E	33.3	Very low	35.6	Very low	180 Å²	180	150.8 Å²	150.8	84%	0.841	75%	0.748	S	S	*	*			trans	-73.8	126.5	175.9	-62.6	177.4	143.4	0	0	110.3
537	E	34.5	Very low	35.4	Very low	190 Å²	190	153.1 Å²	153.1	89%	0.888	77%	0.77	S	S	*	*			trans	-124.2	96.8	161.7	-74.1	-167	148.5	0	0	109.2	S539	E537-S539 PolarHBondContact O-N 2.96Å
538	H	33.4	Very low	35	Very low	169 Å²	169	160.5 Å²	160.5	78%	0.782	79%	0.79	S	S	*	*			trans	-71.8	103.2	168.3	-87.4	-82.3	0	0	0	110
539	S	32.7	Very low	34.8	Very low	120 Å²	120	157.9 Å²	157.9	84%	0.839	78%	0.784	S	S	*	*			trans	-73.8	137.7	171	56.6	0	0	0	0	111.3	E537	E537-S539 PolarHBondContact O-N 2.96Å
540	S	31.1	Very low	34.1	Very low	114 Å²	114	156.3 Å²	156.3	80%	0.797	79%	0.785	S	S	*	*			trans	-101.9	116.3	-166.6	-34.9	0	0	0	0	112.8
541	Q	36.7	Very low	33.6	Very low	196 Å²	196	155.6 Å²	155.6	92%	0.916	79%	0.791	S	S	*	*			trans	-172.9	155.1	158	-107.6	167	23.1	0	0	110.6
542	R	33.3	Very low	33.4	Very low	207 Å²	207	150 Å²	150	78%	0.781	80%	0.796	S	S	*	*			cis	-169.1	129.5	-44.2	172.8	170	170.2	161.4	0.2	107.6
543	E	33.5	Very low	33.1	Very low	111 Å²	111	152.5 Å²	152.5	52%	0.519	80%	0.803	S	S	.	*			trans	67.1	109.6	163.6	-72.9	-176.7	86.2	0	0	122.3
544	K	34.7	Very low	33.1	Very low	177 Å²	177	150.6 Å²	150.6	77%	0.77	80%	0.795	S	S	*	*				89.5	134	121.3	-72.6	172.7	176.5	161.1	0	122.7
545	A	34.6	Very low	32.7	Very low	103 Å²	103	149.5 Å²	149.5	85%	0.851	79%	0.786	S	S	*	*			trans	72.6	140.1	151.8	0	0	0	0	0	119.2
546	A	34.9	Very low	32.9	Very low	83 Å²	83	152.6 Å²	152.6	69%	0.686	79%	0.785	S	S	*	*			cis	-167.1	168	-17.1	0	0	0	0	0	110.9
547	T	33.9	Very low	32.9	Very low	136 Å²	136	149.6 Å²	149.6	83%	0.834	78%	0.779	S	S	*	*			trans	75.8	142.1	153.9	-53.2	0	0	0	0	117.7
548	R	32.5	Very low	33	Very low	204 Å²	204	148.6 Å²	148.6	77%	0.77	78%	0.778	S	S	*	*			cis	-174.9	147	-25.2	174	173.7	-176.5	-164.3	3.8	109.9
549	K	34.7	Very low	32.9	Very low	162 Å²	162	145.9 Å²	145.9	70%	0.704	78%	0.779	S	S	*	*			trans	67.4	143.2	174.7	-74.3	161.9	173.2	-167.3	0	115.4
550	Q	33	Very low	32.9	Very low	164 Å²	164	144.4 Å²	144.4	77%	0.766	77%	0.768	S	S	*	*			cis	109.3	127.9	9.9	-78.2	-173.2	-47.9	0	0	116.4
551	Q	29.1	Very low	33.4	Very low	192 Å²	192	146.9 Å²	146.9	90%	0.897	77%	0.772	S	S	*	*			trans	67.2	140.6	153.4	-79.9	176.7	-54.2	0	0	120.4
552	G	31.7	Very low	33.5	Very low	84 Å²	84	144.3 Å²	144.3	87%	0.866	77%	0.765	S	S	*	*			trans	167.2	44.6	-179.3	0	0	0	0	0	112.8
553	E	27.6	Very low	34	Very low	183 Å²	183	142.3 Å²	142.3	86%	0.855	77%	0.77	S	S	*	*			trans	-100.9	128.6	179.2	-179.7	-178.4	-178.2	0	0	109.8
554	K	32.4	Very low	34.7	Very low	164 Å²	164	143 Å²	143	71%	0.713	78%	0.781	S	S	*	*			trans	-157.3	123.3	163.1	-154.9	-173.3	179.7	-159.9	0	112.3	E556	K554-E556 VanDerWaalsContact CE-OE1 3.22Å; K554-E556 WeakPolarHBondContact CE-OE1 3.4Å; K554-E556 IonicContact NZ-OE1 2.91Å; K554-E556 PolarHBondContact NZ-OE1 3.28Å; K554-E556 IonicContact NZ-OE2 3.95Å
555	T	27.3	Very low	35	Very low	112 Å²	112	140.3 Å²	140.3	69%	0.687	78%	0.782	S	S	*	*			trans	-93.7	136.1	167.4	-55.5	0	0	0	0	109.5	V557	T555-V557 HydrophobicContact CG2-CG2 4.21Å
556	E	36.2	Very low	35	Very low	153 Å²	153	143.4 Å²	143.4	72%	0.715	78%	0.784	S	S	*	*			trans	-134.5	163.8	157.1	-69.4	-167.8	161.6	0	0	109.3	K554	K554-E556 VanDerWaalsContact CE-OE1 3.22Å; K554-E556 WeakPolarHBondContact CE-OE1 3.4Å; K554-E556 IonicContact NZ-OE1 2.91Å; K554-E556 PolarHBondContact NZ-OE1 3.28Å; K554-E556 IonicContact NZ-OE2 3.95Å
557	V	32.5	Very low	35.2	Very low	118 Å²	118	144.6 Å²	144.6	72%	0.715	79%	0.788	S	S	*	*			trans	-138.9	167.4	-156.7	-166.2	0	0	0	0	109.8	T555	T555-V557 HydrophobicContact CG2-CG2 4.21Å
558	L	36.3	Very low	35.5	Very low	168 Å²	168	142.7 Å²	142.7	88%	0.88	78%	0.777	S	S	*	*			trans	79.7	153.5	175	-48.4	160.4	0	0	0	113.5
559	S	32.6	Very low	35.8	Very low	113 Å²	113	139.6 Å²	139.6	79%	0.79	78%	0.781	S	S	*	*			cis	-143.9	170.1	1.8	-165.9	0	0	0	0	111.8
560	S	32	Very low	35.9	Very low	89 Å²	89	138.6 Å²	138.6	62%	0.622	78%	0.782	S	S	*	*			trans	-70.4	157.8	164	-167.5	0	0	0	0	112.6
561	D	41.5	Very low	36.5	Very low	165 Å²	165	138.3 Å²	138.3	88%	0.882	79%	0.785	S	S	*	*			trans	-160.3	152.7	134.1	-94.6	-30.2	0	0	0	110.2
562	D	39.2	Very low	36.9	Very low	142 Å²	142	138.1 Å²	138.1	76%	0.759	78%	0.784	S	S	*	*			trans	-83.3	162.9	-174.9	-66.5	-98	0	0	0	114.1
563	D	44.2	Very low	37.6	Very low	165 Å²	165	140 Å²	140	88%	0.882	78%	0.778	S	S	*	*			trans	-154	159.4	134.3	-131.8	-34.5	0	0	0	114.1
564	V	47.7	Very low	38.7	Very low	126 Å²	126	136.1 Å²	136.1	76%	0.764	77%	0.769	S	S	*	*			trans	-101.4	157.9	-155.9	161.9	0	0	0	0	113.2
565	P	40.7	Very low	39.1	Very low	121 Å²	121	134.5 Å²	134.5	79%	0.786	78%	0.775	S	S	*	*			trans	-98	166.4	-162.5	38.4	-35.3	0	0	0	115.4
566	D	35.6	Very low	39.9	Very low	167 Å²	167	136.6 Å²	136.6	89%	0.893	78%	0.781	S	S	*	*			trans	-126.6	143.5	-179.4	-124.5	-25.2	0	0	0	113.3
567	S	37.4	Very low	40.2	Very low	109 Å²	109	135 Å²	135	76%	0.762	78%	0.784	S	S	*	*			trans	-175.3	157.1	-175.6	-172.5	0	0	0	0	109.1
568	P	40.9	Very low	40.3	Very low	95 Å²	95	135.1 Å²	135.1	62%	0.617	79%	0.79	S	S	*	*			cis	-125	178.5	1.4	39.6	-25	0	0	0	114.1	I570	P568-I570 HydrophobicContact CG-CG1 4.47Å
569	V	39.5	Very low	40.7	Very low	139 Å²	139	132.4 Å²	132.4	84%	0.842	79%	0.785	S	S	*	*			trans	-125	119.4	150.5	177.6	0	0	0	0	108.6
570	I	36.3	Very low	41.1	Very low	142 Å²	142	133 Å²	133	73%	0.728	78%	0.784	S	S	*	*			trans	-90.2	122.6	179.1	-60.3	169.7	0	0	0	108.5	P568	P568-I570 HydrophobicContact CG-CG1 4.47Å
571	L	46	Very low	41.9	Very low	158 Å²	158	134.5 Å²	134.5	83%	0.827	79%	0.792	S	S	*	*			trans	-125.1	117.3	159.6	-83.3	172	0	0	0	108.8
572	E	36.5	Very low	42.1	Very low	188 Å²	188	129.8 Å²	129.8	88%	0.879	78%	0.782	S	S	*	*			trans	-82.4	119.4	-168.6	-170	171.5	-163.1	0	0	110.4
573	V	47.3	Very low	43.1	Very low	123 Å²	123	129.2 Å²	129.2	75%	0.745	77%	0.771	S	S	*	*			trans	-115.2	129.7	176.9	-179.1	0	0	0	0	108.3
574	P	50.7	Low	44	Very low	102 Å²	102	125.9 Å²	125.9	66%	0.662	76%	0.756	S	S	*	*			trans	-60.6	144.8	-175.4	-25.2	34.6	0	0	0	113.3	L576	P574-L576 PolarHBondContact O-N 2.81Å
575	P	41	Very low	44.8	Very low	129 Å²	129	121.2 Å²	121.2	84%	0.838	73%	0.728	S	S	*	*			trans	-68	116	178.3	27.9	-33.9	0	0	0	110.7
576	L	43.9	Very low	46.3	Very low	156 Å²	156	116.7 Å²	116.7	82%	0.817	70%	0.699	S	S	*	*			trans	-65.4	148.8	162.9	-95.4	70.9	0	0	0	109.5	P574	P574-L576 PolarHBondContact O-N 2.81Å
577	P	42.7	Very low	48.3	Very low	119 Å²	119	111.2 Å²	111.2	77%	0.773	67%	0.666	S	S	*	*			trans	-62	147.1	-178.7	27.1	-35.2	0	0	0	111	S579	P577-S579 PolarHBondContact O-N 2.77Å
578	S	35.4	Very low	50.5	Low	121 Å²	121	107.6 Å²	107.6	85%	0.846	64%	0.636	S	S	*	*			trans	-61.6	96.7	179.4	53.8	0	0	0	0	111.2	T580	S578-T580 PolarHBondContact O-N 2.91Å
579	S	42.9	Very low	52.6	Low	111 Å²	111	106.5 Å²	106.5	78%	0.776	62%	0.622	S	S	*	*			trans	-64.4	114.7	167	55.1	0	0	0	0	108.8	P577	P577-S579 PolarHBondContact O-N 2.77Å
580	T	41.1	Very low	54.9	Low	125 Å²	125	101 Å²	101	77%	0.767	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-47.8	136.3	167.7	-23.2	0	0	0	0	109	S578 G582	S578-T580 PolarHBondContact O-N 2.91Å; T580-G582 PolarHBondContact O-N 2.87Å
581	P	49.5	Very low	57.5	Low	121 Å²	121	97.2 Å²	97.2	79%	0.786	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-55.2	119.3	170.7	23.6	-33.3	0	0	0	108.2	Y583	P581-Y583 PolarHBondContact O-N 3.2Å
582	G	46.8	Very low	59.8	Low	66 Å²	66	94 Å²	94	68%	0.68	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-64	120.4	-176.8	0	0	0	0	0	109.5	T580 V584	T580-G582 PolarHBondContact O-N 2.87Å; G582-V584 PolarHBondContact O-N 3.31Å
583	Y	58.5	Low	62.5	Low	131 Å²	131	85.6 Å²	85.6	51%	0.514	51%	0.508	S	S	.	.			trans	-59.7	108.8	174.8	178.5	-107.9	0	0	0	109.1	L92 P581 P585	L92-Y583 PolarHBondContact O-OH 3.08Å; P581-Y583 PolarHBondContact O-N 3.2Å; Y583-P585 HydrophobicContact CE1-CB 3.86Å; Y583-P585 HydrophobicContact CE1-CG 4.45Å; Y583-P585 WeakPolarHBondContact O-CD 3.2Å
584	V	64	Low	64.7	Low	94 Å²	94	82.2 Å²	82.2	57%	0.57	49%	0.49	S	S	*	.			trans	-97.9	102.8	171.4	179.7	0	0	0	0	106.2	G582 T586	G582-V584 PolarHBondContact O-N 3.31Å; V584-T586 PolarHBondContact O-N 3.02Å
585	P	64.8	Low	66.9	Low	28 Å²	28	78.6 Å²	78.6	18%	0.182	47%	0.467	C	S	.	.			trans	-59.1	130.3	-178.1	19.2	-30.2	0	0	0	111.2	E91 Y583 Y587	E91-P585 VanDerWaalsContact CD-CB 3.49Å; E91-P585 HydrophobicContact CG-CB 3.63Å; E91-P585 VanDerWaalsContact OE1-CB 3.23Å; E91-P585 WeakPolarHBondContact OE1-CB 3.35Å; Y583-P585 HydrophobicContact CE1-CB 3.86Å; Y583-P585 HydrophobicContact CE1-CG 4.45Å; Y583-P585 WeakPolarHBondContact O-CD 3.2Å; P585-Y587 HydrophobicContact CB-CE2 4.07Å; P585-Y587 HydrophobicContact CG-CE2 3.93Å; P585-Y587 WeakPolarHBondContact CG-OH 3.44Å; P585-Y587 WeakPolarHBondContact O-CD2 3.33Å; P585-Y587 WeakPolarHBondContact O-CE2 3.35Å
586	T	72.8	Confident	69.5	Low	27 Å²	27	76.9 Å²	76.9	17%	0.166	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	141	172.6	-71.3	0	0	0	0	109.2	L92 V584	L92-T586 WeakPolarHBondContact CB-O 3.35Å; L92-T586 HydrophobicContact CD1-CG2 4.34Å; L92-T586 PolarHBondContact N-O 3.11Å; V584-T586 PolarHBondContact O-N 3.02Å
587	Y	77	Confident	71.9	Confident	52 Å²	52	72.6 Å²	72.6	20%	0.204	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.6	-176.3	-68.2	-77.5	0	0	0	112.6	V89 Q90 E91 T105 P585	V89-Y587 HydrophobicContact CG1-CD1 3.64Å; V89-Y587 HydrophobicContact CG1-CG 4.01Å; Q90-Y587 WeakPolarHBondContact O-CA 3.23Å; E91-Y587 HydrophobicContact CB-CD1 4.04Å; E91-Y587 HydrophobicContact CB-CE1 3.66Å; E91-Y587 HydrophobicContact CG-CD1 4.22Å; E91-Y587 HydrophobicContact CG-CE1 3.61Å; E91-Y587 WeakPolarHBondContact OE2-CE1 3.42Å; E91-Y587 VanDerWaalsContact OE2-CZ 3.22Å; E91-Y587 PolarHBondContact OE2-OH 3.18Å; T105-Y587 PolarHBondContact N-O 3.12Å; T105-Y587 VanDerWaalsContact N-O 3.08Å; T105-Y587 WeakPolarHBondContact OG1-CB 3.09Å; P585-Y587 HydrophobicContact CB-CE2 4.07Å; P585-Y587 HydrophobicContact CG-CE2 3.93Å; P585-Y587 WeakPolarHBondContact CG-OH 3.44Å; P585-Y587 WeakPolarHBondContact O-CD2 3.33Å; P585-Y587 WeakPolarHBondContact O-CE2 3.35Å
588	K	84.1	Confident	74.4	Confident	33 Å²	33	67.1 Å²	67.1	14%	0.143	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.6	176.4	65.8	-173.7	174	-158	0	112.5	Q90 L92 E97 V99 L103 S590	Q90-K588 HydrophobicContact CB-CG 4.04Å; Q90-K588 VanDerWaalsContact CD-CE 3.47Å; Q90-K588 HydrophobicContact CG-CG 4.35Å; Q90-K588 PolarHBondContact N-O 3.16Å; Q90-K588 PolarHBondContact O-N 3.3Å; Q90-K588 VanDerWaalsContact OE1-CE 3.27Å; L92-K588 HydrophobicContact CD1-CD 3.82Å; L92-K588 HydrophobicContact CD1-CG 4.39Å; L92-K588 HydrophobicContact CG-CD 4.14Å; E97-K588 IonicContact OE1-NZ 3.22Å; E97-K588 PolarHBondContact OE1-NZ 3.01Å; E97-K588 VanDerWaalsContact OE1-NZ 3.09Å; E97-K588 IonicContact OE2-NZ 3.88Å; E97-K588 PolarHBondContact OE2-NZ 2.71Å; V99-K588 HydrophobicContact CG1-CB 4.21Å; L103-K588 CarbonylContact O-C 3.56Å; L103-K588 WeakPolarHBondContact O-CA 3.22Å; K588-S590 PolarHBondContact O-N 3.05Å
589	K	83.9	Confident	77.2	Confident	72 Å²	72	67 Å²	67	31%	0.313	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	123.4	169.1	-62.8	173.9	-165.1	155.5	0	109.2	F87 F88 R102 L103 C104 T105	F87-K589 HydrophobicContact CB-CB 4.39Å; F87-K589 HydrophobicContact CD1-CD 4.22Å; F87-K589 HydrophobicContact CD1-CG 4.47Å; F87-K589 HydrophobicContact CD2-CB 4.01Å; F87-K589 HydrophobicContact CD2-CD 4.21Å; F87-K589 HydrophobicContact CD2-CG 3.61Å; F87-K589 HydrophobicContact CE1-CD 4.15Å; F87-K589 HydrophobicContact CE2-CD 4.16Å; F87-K589 HydrophobicContact CE2-CG 3.71Å; F87-K589 HydrophobicContact CG-CB 4.21Å; F87-K589 HydrophobicContact CG-CD 4.26Å; F87-K589 HydrophobicContact CG-CG 4.02Å; F87-K589 HydrophobicContact CZ-CD 4.13Å; F87-K589 HydrophobicContact CZ-CG 4.19Å; F88-K589 WeakPolarHBondContact O-CA 3.47Å; R102-K589 PolarHBondContact O-NZ 2.75Å; L103-K589 HydrophobicContact CD2-CB 4.48Å; L103-K589 WeakPolarHBondContact O-CG 3.38Å; L103-K589 PolarHBondContact O-N 2.83Å; C104-K589 VanDerWaalsContact O-CE 3.26Å; C104-K589 WeakPolarHBondContact O-CE 3.41Å; C104-K589 PolarHBondContact O-NZ 3.07Å; T105-K589 HydrophobicContact CG2-CD 4.22Å; T105-K589 HydrophobicContact CG2-CG 3.42Å; T105-K589 VanDerWaalsContact CG2-CG 3.42Å
590	S	88.8	Confident	79.7	Confident	22 Å²	22	66.2 Å²	66.2	15%	0.154	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	148.3	169.8	-172.2	0	0	0	0	111.4	F88 K588 R592	F88-S590 PolarHBondContact N-O 3.43Å; F88-S590 PolarHBondContact O-N 2.85Å; K588-S590 PolarHBondContact O-N 3.05Å; S590-R592 PolarHBondContact OG-N 3.07Å; S590-R592 PolarHBondContact OG-O 3.49Å
591	L	90.2	Very high	82.2	Confident	63 Å²	63	60.8 Å²	60.8	33%	0.33	33%	0.332	S	S	.	.	S	Bend	trans	-107.7	3.2	165.3	-59.7	179.9	0	0	0	111.8	P47 F48 F87	P47-L591 CarbonylContact C-O 3.52Å; P47-L591 WeakPolarHBondContact CA-O 3.35Å; P47-L591 HydrophobicContact CB-CB 4.02Å; F48-L591 PolarHBondContact N-O 2.84Å; F87-L591 HydrophobicContact CB-CD2 3.93Å
592	R	93.5	Very high	84.3	Confident	90 Å²	90	61.4 Å²	61.4	34%	0.34	33%	0.328	S	S	.	.	S	Bend	trans	-125.6	150	177.4	-65.8	-174.6	-153.5	-112.1	-0.1	110.5	C45 S590 D745	C45-R592 WeakPolarHBondContact O-CD 3.45Å; C45-R592 PolarHBondContact O-NH1 2.81Å; S590-R592 PolarHBondContact OG-N 3.07Å; S590-R592 PolarHBondContact OG-O 3.49Å; R592-D745 IonicContact CZ-OD1 3.57Å; R592-D745 VanDerWaalsContact CZ-OD1 3.24Å; R592-D745 IonicContact CZ-OD2 3.2Å; R592-D745 IonicContact NH1-OD1 2.67Å; R592-D745 PolarHBondContact NH1-OD1 2.67Å; R592-D745 IonicContact NH1-OD2 2.79Å; R592-D745 IonicContact NH2-OD1 3.18Å; R592-D745 PolarHBondContact NH2-OD1 2.75Å; R592-D745 IonicContact NH2-OD2 2.73Å; R592-D745 PolarHBondContact NH2-OD2 3.32Å
593	L	94.2	Very high	86.7	Confident	12 Å²	12	59.5 Å²	59.5	6%	0.063	30%	0.303	C	S	.	.			trans	-96.1	150	174.5	-64.1	175.7	0	0	0	110.6	C45 F48 L76 F88 Q597 I598 L601	C45-L593 PolarHBondContact SG-N 2.82Å; C45-L593 VanDerWaalsContact SG-N 3.37Å; F48-L593 HydrophobicContact CE1-CD1 4.36Å; F48-L593 HydrophobicContact CE2-CD1 3.82Å; F48-L593 HydrophobicContact CE2-CG 4.02Å; F48-L593 HydrophobicContact CZ-CD1 3.63Å; F48-L593 HydrophobicContact CZ-CG 4.33Å; L76-L593 HydrophobicContact CD1-CD2 4.07Å; L76-L593 HydrophobicContact CD2-CD1 3.59Å; L76-L593 HydrophobicContact CD2-CD2 3.78Å; L76-L593 HydrophobicContact CD2-CG 4.34Å; F88-L593 HydrophobicContact CD1-CD2 3.84Å; F88-L593 HydrophobicContact CD2-CD2 3.72Å; F88-L593 HydrophobicContact CD2-CG 4.24Å; F88-L593 HydrophobicContact CE1-CD2 3.77Å; F88-L593 HydrophobicContact CE1-CG 4.47Å; F88-L593 HydrophobicContact CE2-CD1 4.34Å; F88-L593 HydrophobicContact CE2-CD2 3.64Å; F88-L593 HydrophobicContact CE2-CG 3.77Å; F88-L593 HydrophobicContact CG-CD2 3.81Å; F88-L593 HydrophobicContact CZ-CD1 4.03Å; F88-L593 HydrophobicContact CZ-CD2 3.68Å; F88-L593 HydrophobicContact CZ-CG 3.91Å; L593-Q597 HydrophobicContact CB-CB 3.92Å; L593-Q597 HydrophobicContact CD2-CB 4.2Å; L593-Q597 HydrophobicContact CG-CB 4.49Å; L593-I598 HydrophobicContact CB-CD1 4.37Å; L593-I598 HydrophobicContact CB-CG1 3.74Å; L593-L601 HydrophobicContact CD1-CD1 3.91Å
594	S	94	Very high	88.5	Confident	52 Å²	52	58 Å²	58	36%	0.364	30%	0.303	S	S	.	.			trans	-66.4	163.6	170.4	78	0	0	0	0	111.2	D596 Q597 I598	S594-D596 PolarHBondContact O-N 2.92Å; S594-D596 VanDerWaalsContact O-N 3.16Å; S594-D596 PolarHBondContact OG-N 3.29Å; S594-Q597 PolarHBondContact O-N 2.87Å; S594-Q597 WeakPolarHBondContact OG-CG 3.45Å; S594-Q597 PolarHBondContact OG-N 3.29Å; S594-Q597 VanDerWaalsContact OG-N 3.11Å; S594-I598 WeakPolarHBondContact O-CD1 3.49Å; S594-I598 VanDerWaalsContact O-CG1 3.25Å; S594-I598 WeakPolarHBondContact O-CG1 3.17Å; S594-I598 PolarHBondContact O-N 3.03Å
595	S	95.7	Very high	90	Very high	26 Å²	26	59.3 Å²	59.3	18%	0.182	30%	0.303	C	S	.	.	H	α-helix	trans	-56	-33.3	176.7	-178.1	0	0	0	0	112.4	S42 F43 R599	S42-S595 WeakPolarHBondContact CA-OG 3.39Å; F43-S595 PolarHBondContact N-OG 2.79Å; S595-R599 WeakPolarHBondContact O-CB 3.43Å; S595-R599 PolarHBondContact O-N 3.12Å
596	D	94.8	Very high	91.5	Very high	94 Å²	94	59.1 Å²	59.1	50%	0.503	31%	0.306	S	S	.	.	H	α-helix	trans	-89	-32.1	-175.4	-55.4	-58.6	0	0	0	112.2	S594 I598 R599 C600	S594-D596 PolarHBondContact O-N 2.92Å; S594-D596 VanDerWaalsContact O-N 3.16Å; S594-D596 PolarHBondContact OG-N 3.29Å; D596-I598 VanDerWaalsContact C-N 3.29Å; D596-I598 PolarHBondContact O-N 2.9Å; D596-R599 WeakPolarHBondContact O-CB 3.41Å; D596-R599 PolarHBondContact O-N 2.82Å; D596-R599 VanDerWaalsContact O-N 3.16Å; D596-R599 IonicContact OD1-CZ 2.67Å; D596-R599 IonicContact OD1-NE 2.75Å; D596-R599 PolarHBondContact OD1-NE 2.89Å; D596-R599 IonicContact OD1-NH2 3.32Å; D596-C600 PolarHBondContact O-N 3.13Å; D596-C600 PolarHBondContact O-SG 3.26Å; D596-C600 VanDerWaalsContact O-SG 3.34Å
597	Q	94.5	Very high	92.6	Very high	66 Å²	66	59.9 Å²	59.9	31%	0.308	32%	0.315	S	S	.	.	H	α-helix	trans	-58.1	-42.9	164	-75.8	173.5	-32.4	0	0	111.3	L593 S594 R599 C600 L601	L593-Q597 HydrophobicContact CB-CB 3.92Å; L593-Q597 HydrophobicContact CD2-CB 4.2Å; L593-Q597 HydrophobicContact CG-CB 4.49Å; S594-Q597 PolarHBondContact O-N 2.87Å; S594-Q597 WeakPolarHBondContact OG-CG 3.45Å; S594-Q597 PolarHBondContact OG-N 3.29Å; S594-Q597 VanDerWaalsContact OG-N 3.11Å; Q597-R599 VanDerWaalsContact C-N 3.34Å; Q597-C600 PolarHBondContact O-N 3.33Å; Q597-L601 WeakPolarHBondContact O-CG 3.43Å; Q597-L601 PolarHBondContact O-N 2.83Å
598	I	96.2	Very high	93.7	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-64.2	-39.3	174.7	-64.2	163.1	0	0	0	111.2	V35 F43 C45 L593 S594 D596 C600 L601 L603	V35-I598 HydrophobicContact CG1-CG2 3.71Å; V35-I598 HydrophobicContact CG2-CG2 4.5Å; F43-I598 HydrophobicContact CB-CB 3.98Å; F43-I598 HydrophobicContact CB-CD1 3.86Å; F43-I598 HydrophobicContact CB-CG2 3.63Å; F43-I598 HydrophobicContact CD1-CG2 4.26Å; F43-I598 HydrophobicContact CD2-CB 4.43Å; F43-I598 HydrophobicContact CD2-CG2 4.09Å; F43-I598 HydrophobicContact CG-CB 4.37Å; F43-I598 HydrophobicContact CG-CG2 3.75Å; C45-I598 HydrophobicContact CB-CD1 3.84Å; L593-I598 HydrophobicContact CB-CD1 4.37Å; L593-I598 HydrophobicContact CB-CG1 3.74Å; S594-I598 WeakPolarHBondContact O-CD1 3.49Å; S594-I598 VanDerWaalsContact O-CG1 3.25Å; S594-I598 WeakPolarHBondContact O-CG1 3.17Å; S594-I598 PolarHBondContact O-N 3.03Å; D596-I598 VanDerWaalsContact C-N 3.29Å; D596-I598 PolarHBondContact O-N 2.9Å; I598-C600 VanDerWaalsContact C-N 3.31Å; I598-C600 PolarHBondContact O-N 3.06Å; I598-L601 WeakPolarHBondContact O-CB 3.2Å; I598-L601 PolarHBondContact O-N 2.88Å; I598-L601 VanDerWaalsContact O-N 3.11Å; I598-L603 HydrophobicContact CG2-CD1 4.21Å
599	R	94.9	Very high	94.3	Very high	117 Å²	117	60.9 Å²	60.9	44%	0.442	33%	0.326	S	S	.	.	H	α-helix	trans	-59.3	-42.1	177	-167.4	-176.1	-54.7	-70.9	-2.9	111.4	G41 F43 S595 D596 Q597 L601 N602	G41-R599 PolarHBondContact O-NH1 3.04Å; G41-R599 PolarHBondContact O-NH2 3.12Å; F43-R599 HydrophobicContact CD2-CB 4.48Å; F43-R599 HydrophobicContact CE2-CB 4.18Å; F43-R599 HydrophobicContact CE2-CG 4.36Å; S595-R599 WeakPolarHBondContact O-CB 3.43Å; S595-R599 PolarHBondContact O-N 3.12Å; D596-R599 WeakPolarHBondContact O-CB 3.41Å; D596-R599 PolarHBondContact O-N 2.82Å; D596-R599 VanDerWaalsContact O-N 3.16Å; D596-R599 IonicContact OD1-CZ 2.67Å; D596-R599 IonicContact OD1-NE 2.75Å; D596-R599 PolarHBondContact OD1-NE 2.89Å; D596-R599 IonicContact OD1-NH2 3.32Å; Q597-R599 VanDerWaalsContact C-N 3.34Å; R599-L601 PolarHBondContact O-N 2.84Å; R599-N602 PolarHBondContact O-N 2.88Å; R599-N602 PolarHBondContact O-OD1 2.91Å
600	C	93.5	Very high	94.9	Very high	95 Å²	95	57.5 Å²	57.5	64%	0.642	31%	0.311	S	S	*	.	H	α-helix	trans	-66.4	-15.6	176.6	-66.2	0	0	0	0	114.5	D596 Q597 I598 N602	D596-C600 PolarHBondContact O-N 3.13Å; D596-C600 PolarHBondContact O-SG 3.26Å; D596-C600 VanDerWaalsContact O-SG 3.34Å; Q597-C600 PolarHBondContact O-N 3.33Å; I598-C600 VanDerWaalsContact C-N 3.31Å; I598-C600 PolarHBondContact O-N 3.06Å; C600-N602 PolarHBondContact O-N 3.47Å
601	L	94.6	Very high	95.2	Very high	11 Å²	11	57.5 Å²	57.5	6%	0.058	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-9.6	176.1	-55	-174.1	0	0	0	113.8	I69 V74 L76 L593 Q597 I598 R599 L603	I69-L601 HydrophobicContact CD1-CB 3.96Å; I69-L601 HydrophobicContact CD1-CD1 3.98Å; I69-L601 HydrophobicContact CD1-CD2 3.88Å; I69-L601 HydrophobicContact CD1-CG 4.14Å; V74-L601 HydrophobicContact CG1-CD2 3.79Å; L76-L601 HydrophobicContact CD2-CD2 3.83Å; L593-L601 HydrophobicContact CD1-CD1 3.91Å; Q597-L601 WeakPolarHBondContact O-CG 3.43Å; Q597-L601 PolarHBondContact O-N 2.83Å; I598-L601 WeakPolarHBondContact O-CB 3.2Å; I598-L601 PolarHBondContact O-N 2.88Å; I598-L601 VanDerWaalsContact O-N 3.11Å; R599-L601 PolarHBondContact O-N 2.84Å; L601-L603 HydrophobicContact CB-CD1 4.47Å; L601-L603 HydrophobicContact CB-CD2 4.12Å; L601-L603 HydrophobicContact CB-CG 3.89Å; L601-L603 HydrophobicContact CD1-CD1 4.39Å; L601-L603 PolarHBondContact O-N 3.34Å; L601-L603 VanDerWaalsContact O-N 3.14Å
602	N	94	Very high	95.4	Very high	135 Å²	135	54.6 Å²	54.6	72%	0.722	30%	0.295	S	S	*	.			trans	48.2	42	179.3	-65	-32.3	0	0	0	114.1	R599 C600 N604	R599-N602 PolarHBondContact O-N 2.88Å; R599-N602 PolarHBondContact O-OD1 2.91Å; C600-N602 PolarHBondContact O-N 3.47Å; N602-N604 PolarHBondContact O-N 3.49Å
603	L	96.6	Very high	95.3	Very high	26 Å²	26	50.7 Å²	50.7	14%	0.136	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-64.2	131.6	-176.4	-62.3	172.7	0	0	0	112.3	V35 I69 I598 L601 N608 I628 L630	V35-L603 HydrophobicContact CB-CD1 4.38Å; V35-L603 HydrophobicContact CG1-CD1 4.44Å; V35-L603 HydrophobicContact CG2-CD1 3.95Å; I69-L603 HydrophobicContact CD1-CD2 4.42Å; I69-L603 HydrophobicContact CG2-CD2 4.09Å; I598-L603 HydrophobicContact CG2-CD1 4.21Å; L601-L603 HydrophobicContact CB-CD1 4.47Å; L601-L603 HydrophobicContact CB-CD2 4.12Å; L601-L603 HydrophobicContact CB-CG 3.89Å; L601-L603 HydrophobicContact CD1-CD1 4.39Å; L601-L603 PolarHBondContact O-N 3.34Å; L601-L603 VanDerWaalsContact O-N 3.14Å; L603-N608 HydrophobicContact CD2-CB 3.99Å; L603-I628 HydrophobicContact CD1-CG2 3.75Å; L603-I628 HydrophobicContact CD2-CB 4.26Å; L603-I628 HydrophobicContact CD2-CD1 4.26Å; L603-I628 HydrophobicContact CD2-CG2 4Å; L603-L630 HydrophobicContact CB-CB 4.43Å; L603-L630 HydrophobicContact CB-CD2 4.1Å; L603-L630 WeakPolarHBondContact O-CD2 3.39Å
604	N	96.6	Very high	95	Very high	99 Å²	99	50.1 Å²	50.1	53%	0.529	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-71	154.3	167.1	-63.3	-65.1	0	0	0	110.7	N70 N602 N608 L630	N70-N604 PolarHBondContact ND2-ND2 2.76Å; N602-N604 PolarHBondContact O-N 3.49Å; N604-N608 WeakPolarHBondContact CB-OD1 3.18Å; N604-N608 PolarHBondContact N-OD1 3.18Å; N604-N608 PolarHBondContact ND2-OD1 2.88Å; N604-N608 PolarHBondContact O-ND2 3.41Å; N604-L630 WeakPolarHBondContact O-CB 3.48Å
605	E	95.2	Very high	94.5	Very high	122 Å²	122	51.3 Å²	51.3	57%	0.57	28%	0.284	S	S	*	.	S	Bend	trans	-67.5	137.9	173.2	-174.3	162.7	-149.1	0	0	111.4	R37 N632	R37-E605 IonicContact NH2-OE1 3.98Å; E605-N632 PolarHBondContact OE1-ND2 3.18Å
606	G	95.8	Very high	93.4	Very high	23 Å²	23	50.6 Å²	50.6	24%	0.237	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	83.9	-136.1	-170.3	0	0	0	0	0	112.3	Y629 L630	G606-Y629 CarbonylContact O-C 3.55Å; G606-Y629 VanDerWaalsContact O-CA 3.26Å; G606-Y629 WeakPolarHBondContact O-CA 3.37Å; G606-L630 PolarHBondContact N-O 3.41Å; G606-L630 PolarHBondContact O-N 3.37Å
607	A	97.3	Very high	92.2	Very high	44 Å²	44	51.1 Å²	51.1	36%	0.364	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.2	-168.8	0	0	0	0	0	112.8	T627 Y629	A607-T627 HydrophobicContact CB-CG2 3.72Å; A607-Y629 HydrophobicContact CB-CD1 4.11Å; A607-Y629 HydrophobicContact CB-CE1 3.75Å
608	N	98.3	Very high	90.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.1	171.4	-60	-95.3	0	0	0	108.8	I69 N70 L603 N604 T627 I628	I69-N608 HydrophobicContact CG2-CB 4.41Å; N70-N608 PolarHBondContact ND2-OD1 2.99Å; N70-N608 VanDerWaalsContact OD1-CA 3.23Å; N70-N608 WeakPolarHBondContact OD1-CA 3.42Å; N70-N608 WeakPolarHBondContact OD1-CB 3.32Å; L603-N608 HydrophobicContact CD2-CB 3.99Å; N604-N608 WeakPolarHBondContact CB-OD1 3.18Å; N604-N608 PolarHBondContact N-OD1 3.18Å; N604-N608 PolarHBondContact ND2-OD1 2.88Å; N604-N608 PolarHBondContact O-ND2 3.41Å; N608-T627 CarbonylContact O-C 3.57Å; N608-T627 VanDerWaalsContact O-CA 3.27Å; N608-T627 WeakPolarHBondContact O-CA 3.34Å; N608-T627 WeakPolarHBondContact O-CG2 3.45Å; N608-I628 HydrophobicContact CB-CB 4.42Å; N608-I628 WeakPolarHBondContact CB-O 3.37Å; N608-I628 PolarHBondContact N-O 2.57Å; N608-I628 PolarHBondContact ND2-O 3.49Å; N608-I628 PolarHBondContact O-N 3.09Å
609	D	97.3	Very high	89.3	Confident	106 Å²	106	60.4 Å²	60.4	57%	0.567	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	135.9	177.7	-74.3	-27.9	0	0	0	110.3	I69 N70 T627	I69-D609 WeakPolarHBondContact CA-O 3.31Å; N70-D609 PolarHBondContact N-O 2.83Å; N70-D609 PolarHBondContact OD1-N 3.12Å; D609-T627 PolarHBondContact OD1-OG1 3.17Å
610	V	97	Very high	88.3	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.1	177.4	61.2	0	0	0	0	111	I67 E68 I69 F612 A626 I628	I67-V610 HydrophobicContact CG2-CG2 3.72Å; E68-V610 CarbonylContact O-C 3.59Å; E68-V610 WeakPolarHBondContact O-CA 3.46Å; I69-V610 HydrophobicContact CG1-CB 4.38Å; I69-V610 HydrophobicContact CG1-CG2 4.02Å; V610-F612 HydrophobicContact CB-CE2 4.37Å; V610-F612 HydrophobicContact CB-CZ 4.5Å; V610-F612 HydrophobicContact CG1-CE2 3.67Å; V610-F612 HydrophobicContact CG1-CZ 3.99Å; V610-F612 HydrophobicContact CG2-CD2 4.34Å; V610-F612 HydrophobicContact CG2-CE1 4.1Å; V610-F612 HydrophobicContact CG2-CE2 3.77Å; V610-F612 HydrophobicContact CG2-CZ 3.62Å; V610-A626 HydrophobicContact CG1-CB 3.88Å; V610-A626 VanDerWaalsContact CG1-O 3.31Å; V610-A626 WeakPolarHBondContact CG1-O 3.28Å; V610-A626 PolarHBondContact N-O 3.04Å; V610-A626 PolarHBondContact O-N 2.67Å; V610-A626 VanDerWaalsContact O-O 3.12Å; V610-I628 HydrophobicContact CB-CD1 3.95Å; V610-I628 HydrophobicContact CB-CG1 4.09Å; V610-I628 HydrophobicContact CG1-CD1 4.07Å; V610-I628 HydrophobicContact CG1-CG1 3.72Å; V610-I628 HydrophobicContact CG2-CD1 4.2Å
611	V	95.5	Very high	87.9	Confident	21 Å²	21	55.3 Å²	55.3	13%	0.127	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.2	174.4	-169.5	0	0	0	0	108.9	E68 R623 C624 K625	E68-V611 HydrophobicContact CB-CB 4.2Å; E68-V611 PolarHBondContact N-O 2.84Å; E68-V611 PolarHBondContact O-N 2.87Å; V611-R623 HydrophobicContact CG1-CB 3.97Å; V611-R623 HydrophobicContact CG1-CG 4.18Å; V611-C624 WeakPolarHBondContact CA-O 3.46Å; V611-K625 HydrophobicContact CG2-CG 4.37Å
612	F	94.2	Very high	87.3	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.009	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.2	171.8	-55.8	-88.1	0	0	0	108.3	F48 V50 F52 V65 D66 I67 M78 V610 R623 C624 A626	F48-F612 HydrophobicContact CD1-CE1 4.23Å; F48-F612 AromaticContact CD1-CZ 4Å; F48-F612 HydrophobicContact CD1-CZ 4Å; F48-F612 HydrophobicContact CE1-CZ 4.46Å; V50-F612 HydrophobicContact CB-CG 4.48Å; V50-F612 HydrophobicContact CG1-CB 3.92Å; V50-F612 HydrophobicContact CG1-CD1 4.48Å; V50-F612 HydrophobicContact CG1-CD2 4.08Å; V50-F612 HydrophobicContact CG1-CG 3.91Å; V50-F612 HydrophobicContact CG2-CD1 3.93Å; V50-F612 HydrophobicContact CG2-CD2 3.61Å; V50-F612 HydrophobicContact CG2-CE1 3.86Å; V50-F612 HydrophobicContact CG2-CE2 3.52Å; V50-F612 HydrophobicContact CG2-CG 3.82Å; V50-F612 HydrophobicContact CG2-CZ 3.66Å; F52-F612 HydrophobicContact CE2-CB 4.48Å; F52-F612 HydrophobicContact CZ-CB 4Å; V65-F612 HydrophobicContact CG1-CB 3.99Å; D66-F612 CarbonylContact O-C 3.59Å; D66-F612 WeakPolarHBondContact O-CA 3.21Å; I67-F612 HydrophobicContact CD1-CD1 4.26Å; I67-F612 HydrophobicContact CD1-CE1 4.01Å; I67-F612 HydrophobicContact CG1-CD1 3.97Å; I67-F612 HydrophobicContact CG1-CE1 4.17Å; I67-F612 HydrophobicContact CG2-CE1 4.4Å; M78-F612 HydrophobicContact SD-CD1 3.8Å; M78-F612 HydrophobicContact SD-CE1 3.87Å; V610-F612 HydrophobicContact CB-CE2 4.37Å; V610-F612 HydrophobicContact CB-CZ 4.5Å; V610-F612 HydrophobicContact CG1-CE2 3.67Å; V610-F612 HydrophobicContact CG1-CZ 3.99Å; V610-F612 HydrophobicContact CG2-CD2 4.34Å; V610-F612 HydrophobicContact CG2-CE1 4.1Å; V610-F612 HydrophobicContact CG2-CE2 3.77Å; V610-F612 HydrophobicContact CG2-CZ 3.62Å; F612-R623 CarbonylContact O-C 3.57Å; F612-R623 WeakPolarHBondContact O-CA 3.3Å; F612-C624 HydrophobicContact CB-CB 4.42Å; F612-C624 PolarHBondContact N-O 2.72Å; F612-C624 PolarHBondContact O-N 2.8Å; F612-A626 HydrophobicContact CE2-CB 4.31Å
613	S	91.4	Very high	87.1	Confident	8 Å²	8	56.3 Å²	56.3	6%	0.056	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.4	-178	91.6	0	0	0	0	113.3	V65 D66 C622	V65-S613 CarbonylContact C-O 3.12Å; V65-S613 VanDerWaalsContact CA-O 3.32Å; V65-S613 WeakPolarHBondContact CA-O 3.38Å; D66-S613 PolarHBondContact N-O 3.03Å; D66-S613 PolarHBondContact O-N 3.48Å; S613-C622 CarbonylContact C-O 3.45Å; S613-C622 VanDerWaalsContact CA-O 3.31Å; S613-C622 WeakPolarHBondContact CA-O 3.34Å
614	V	87.5	Confident	86.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	119.8	175.9	174	0	0	0	0	109.3	F52 V57 K63 V65 T616 T621 C622	F52-V614 HydrophobicContact CD1-CB 4.11Å; F52-V614 HydrophobicContact CD1-CG2 4.02Å; F52-V614 HydrophobicContact CD2-CG2 3.91Å; F52-V614 HydrophobicContact CE1-CB 3.97Å; F52-V614 HydrophobicContact CE1-CG2 3.74Å; F52-V614 HydrophobicContact CE2-CG2 3.63Å; F52-V614 HydrophobicContact CG-CG2 4.1Å; F52-V614 HydrophobicContact CZ-CB 4.28Å; F52-V614 HydrophobicContact CZ-CG2 3.55Å; V57-V614 HydrophobicContact CG2-CG1 4.31Å; K63-V614 HydrophobicContact CB-CG1 4.47Å; K63-V614 HydrophobicContact CD-CG1 4.17Å; V65-V614 HydrophobicContact CB-CG2 4.07Å; V65-V614 HydrophobicContact CG1-CG2 3.96Å; V65-V614 HydrophobicContact CG2-CG2 3.68Å; V614-T616 HydrophobicContact CG1-CG2 3.94Å; V614-T621 WeakPolarHBondContact O-CA 3.36Å; V614-C622 PolarHBondContact N-O 3.05Å; V614-C622 PolarHBondContact O-N 2.68Å
615	T	83.5	Confident	86.5	Confident	78 Å²	78	57 Å²	57	48%	0.479	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	135.8	178.4	-60.4	0	0	0	0	112.1	K63 T621	K63-T615 PolarHBondContact NZ-O 3.31Å; T615-T621 WeakPolarHBondContact OG1-CG2 3.5Å; T615-T621 PolarHBondContact OG1-OG1 3.01Å
616	T	73.6	Confident	86.5	Confident	10 Å²	10	51.5 Å²	51.5	6%	0.061	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	140.3	-174.4	77.4	0	0	0	0	113.1	G56 V57 K63 V614 Y618 Q619 G620	G56-T616 WeakPolarHBondContact O-CG2 3.06Å; G56-T616 PolarHBondContact O-OG1 2.95Å; V57-T616 HydrophobicContact CG1-CG2 4.26Å; V57-T616 HydrophobicContact CG2-CG2 4.33Å; K63-T616 HydrophobicContact CD-CG2 4.38Å; V614-T616 HydrophobicContact CG1-CG2 3.94Å; T616-Y618 PolarHBondContact O-N 3.28Å; T616-Q619 PolarHBondContact O-N 2.93Å; T616-Q619 PolarHBondContact OG1-N 2.87Å; T616-Q619 VanDerWaalsContact OG1-N 3.17Å; T616-G620 PolarHBondContact N-O 3.14Å; T616-G620 WeakPolarHBondContact O-CA 3.45Å; T616-G620 PolarHBondContact O-N 2.83Å; T616-G620 PolarHBondContact OG1-O 3.28Å
617	Q	68.9	Low	86.6	Confident	106 Å²	106	51.3 Å²	51.3	50%	0.495	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.5	-179.2	-70.1	171.9	-33.5	0	0	114.9
618	Y	65	Low	86.6	Confident	159 Å²	159	49.2 Å²	49.2	62%	0.624	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-15.2	-172.4	-58.5	-79.3	0	0	0	114.6	T616	T616-Y618 PolarHBondContact O-N 3.28Å
619	Q	64.1	Low	86.6	Confident	105 Å²	105	50.1 Å²	50.1	49%	0.491	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	3.4	178	-58.7	-147.6	-13.6	0	0	113.9	L55 G56 T616	L55-Q619 PolarHBondContact O-NE2 2.95Å; L55-Q619 VanDerWaalsContact O-NE2 3.1Å; G56-Q619 VanDerWaalsContact CA-OE1 3.28Å; T616-Q619 PolarHBondContact O-N 2.93Å; T616-Q619 PolarHBondContact OG1-N 2.87Å; T616-Q619 VanDerWaalsContact OG1-N 3.17Å
620	G	75.5	Confident	86.7	Confident	36 Å²	36	45.9 Å²	45.9	37%	0.371	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	66.3	-146.6	-170.6	0	0	0	0	0	111.4	T616	T616-G620 PolarHBondContact N-O 3.14Å; T616-G620 WeakPolarHBondContact O-CA 3.45Å; T616-G620 PolarHBondContact O-N 2.83Å; T616-G620 PolarHBondContact OG1-O 3.28Å
621	T	83.9	Confident	86.7	Confident	69 Å²	69	46.1 Å²	46.1	42%	0.423	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	111.4	-176.6	-50.4	0	0	0	0	111.9	V614 T615 R623	V614-T621 WeakPolarHBondContact O-CA 3.36Å; T615-T621 WeakPolarHBondContact OG1-CG2 3.5Å; T615-T621 PolarHBondContact OG1-OG1 3.01Å; T621-R623 HydrophobicContact CG2-CG 4.21Å
622	C	83	Confident	86.7	Confident	36 Å²	36	46.1 Å²	46.1	24%	0.243	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	137.5	167.3	-172.2	0	0	0	0	109.3	F52 S613 V614	F52-C622 HydrophobicContact CD1-CB 4.04Å; F52-C622 HydrophobicContact CE1-CB 4.33Å; S613-C622 CarbonylContact C-O 3.45Å; S613-C622 VanDerWaalsContact CA-O 3.31Å; S613-C622 WeakPolarHBondContact CA-O 3.34Å; V614-C622 PolarHBondContact N-O 3.05Å; V614-C622 PolarHBondContact O-N 2.68Å
623	R	88.7	Confident	86.6	Confident	132 Å²	132	48.3 Å²	48.3	50%	0.498	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.1	178.3	-70.3	177.6	169.5	-115.1	-5.7	110.5	E68 V611 F612 T621	E68-R623 IonicContact OE1-CZ 3.82Å; E68-R623 IonicContact OE1-NH1 2.95Å; E68-R623 PolarHBondContact OE1-NH1 2.94Å; E68-R623 IonicContact OE1-NH2 2.68Å; E68-R623 PolarHBondContact OE1-NH2 2.59Å; E68-R623 IonicContact OE2-CZ 2.64Å; E68-R623 IonicContact OE2-NH1 2.67Å; E68-R623 PolarHBondContact OE2-NH1 2.91Å; V611-R623 HydrophobicContact CG1-CB 3.97Å; V611-R623 HydrophobicContact CG1-CG 4.18Å; F612-R623 CarbonylContact O-C 3.57Å; F612-R623 WeakPolarHBondContact O-CA 3.3Å; T621-R623 HydrophobicContact CG2-CG 4.21Å
624	C	88.2	Confident	86.7	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.014	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.4	172.7	-57.6	0	0	0	0	109.7	S28 V50 F52 V611 F612	S28-C624 VanDerWaalsContact CB-SG 3.56Å; V50-C624 HydrophobicContact CG1-CB 4.39Å; F52-C624 WeakPolarHBondContact CE1-SG 3.38Å; F52-C624 HydrophobicContact CZ-CB 4.44Å; V611-C624 WeakPolarHBondContact CA-O 3.46Å; F612-C624 HydrophobicContact CB-CB 4.42Å; F612-C624 PolarHBondContact N-O 2.72Å; F612-C624 PolarHBondContact O-N 2.8Å
625	K	92.8	Very high	87	Confident	138 Å²	138	52.5 Å²	52.5	60%	0.6	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.7	179.3	-63.2	-166	175.2	-168.2	0	112.8	V611 K697	V611-K625 HydrophobicContact CG2-CG 4.37Å; K625-K697 PolarHBondContact O-NZ 2.92Å
626	A	95.3	Very high	87.6	Confident	5 Å²	5	52.5 Å²	52.5	4%	0.041	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	179.4	167.7	0	0	0	0	0	110.8	V610 F612	V610-A626 HydrophobicContact CG1-CB 3.88Å; V610-A626 VanDerWaalsContact CG1-O 3.31Å; V610-A626 WeakPolarHBondContact CG1-O 3.28Å; V610-A626 PolarHBondContact N-O 3.04Å; V610-A626 PolarHBondContact O-N 2.67Å; V610-A626 VanDerWaalsContact O-O 3.12Å; F612-A626 HydrophobicContact CE2-CB 4.31Å
627	T	97.5	Very high	88.7	Confident	20 Å²	20	52 Å²	52	12%	0.123	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132.1	175.4	-55.9	0	0	0	0	109.3	D32 V33 A607 N608 D609 Y629	D32-T627 WeakPolarHBondContact CA-O 3.41Å; D32-T627 VanDerWaalsContact CB-O 3.31Å; D32-T627 WeakPolarHBondContact CB-O 3.45Å; D32-T627 PolarHBondContact OD1-N 2.81Å; V33-T627 PolarHBondContact N-O 2.94Å; V33-T627 VanDerWaalsContact N-O 3.09Å; A607-T627 HydrophobicContact CB-CG2 3.72Å; N608-T627 CarbonylContact O-C 3.57Å; N608-T627 VanDerWaalsContact O-CA 3.27Å; N608-T627 WeakPolarHBondContact O-CA 3.34Å; N608-T627 WeakPolarHBondContact O-CG2 3.45Å; D609-T627 PolarHBondContact OD1-OG1 3.17Å; T627-Y629 HydrophobicContact CG2-CD2 3.85Å; T627-Y629 HydrophobicContact CG2-CE1 4.36Å; T627-Y629 HydrophobicContact CG2-CE2 3.38Å
628	I	98.2	Very high	90.1	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118.2	171.5	-55.1	172.6	0	0	0	107.4	V33 V35 F48 I69 L603 N608 V610	V33-I628 HydrophobicContact CB-CG1 4.31Å; V33-I628 HydrophobicContact CB-CG2 4.4Å; V33-I628 HydrophobicContact CG1-CG2 4.45Å; V33-I628 CarbonylContact O-C 3.58Å; V33-I628 WeakPolarHBondContact O-CA 3.48Å; V35-I628 HydrophobicContact CG2-CG2 3.69Å; F48-I628 HydrophobicContact CE1-CD1 4.12Å; F48-I628 HydrophobicContact CZ-CD1 4.41Å; I69-I628 HydrophobicContact CD1-CD1 3.89Å; I69-I628 HydrophobicContact CG1-CD1 4.44Å; L603-I628 HydrophobicContact CD1-CG2 3.75Å; L603-I628 HydrophobicContact CD2-CB 4.26Å; L603-I628 HydrophobicContact CD2-CD1 4.26Å; L603-I628 HydrophobicContact CD2-CG2 4Å; N608-I628 HydrophobicContact CB-CB 4.42Å; N608-I628 WeakPolarHBondContact CB-O 3.37Å; N608-I628 PolarHBondContact N-O 2.57Å; N608-I628 PolarHBondContact ND2-O 3.49Å; N608-I628 PolarHBondContact O-N 3.09Å; V610-I628 HydrophobicContact CB-CD1 3.95Å; V610-I628 HydrophobicContact CB-CG1 4.09Å; V610-I628 HydrophobicContact CG1-CD1 4.07Å; V610-I628 HydrophobicContact CG1-CG1 3.72Å; V610-I628 HydrophobicContact CG2-CD1 4.2Å
629	Y	98.4	Very high	91.7	Very high	18 Å²	18	39.4 Å²	39.4	7%	0.071	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.9	178	-72.8	-95.5	0	0	0	110.3	D32 V33 V35 G606 A607 T627 W631 K712 G713 P714	D32-Y629 HydrophobicContact CB-CE2 4.4Å; V33-Y629 PolarHBondContact O-N 2.77Å; V35-Y629 PolarHBondContact N-O 2.99Å; G606-Y629 CarbonylContact O-C 3.55Å; G606-Y629 VanDerWaalsContact O-CA 3.26Å; G606-Y629 WeakPolarHBondContact O-CA 3.37Å; A607-Y629 HydrophobicContact CB-CD1 4.11Å; A607-Y629 HydrophobicContact CB-CE1 3.75Å; T627-Y629 HydrophobicContact CG2-CD2 3.85Å; T627-Y629 HydrophobicContact CG2-CE1 4.36Å; T627-Y629 HydrophobicContact CG2-CE2 3.38Å; Y629-W631 HydrophobicContact CD1-CZ2 4.48Å; Y629-W631 AromaticContact CD1-NE1 3.94Å; Y629-K712 HydrophobicContact CE1-CB 4.48Å; Y629-G713 PolarHBondContact OH-N 3.21Å; Y629-G713 PolarHBondContact OH-O 3.26Å; Y629-P714 HydrophobicContact CD2-CB 3.56Å; Y629-P714 HydrophobicContact CD2-CG 3.87Å; Y629-P714 VanDerWaalsContact CE2-CA 3.47Å; Y629-P714 HydrophobicContact CE2-CB 3.88Å; Y629-P714 HydrophobicContact CE2-CG 4.38Å; Y629-P714 HydrophobicContact CG-CB 4.24Å; Y629-P714 HydrophobicContact CG-CG 4.04Å
630	L	98	Very high	93.3	Very high	17 Å²	17	34.4 Å²	34.4	9%	0.089	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	112.7	170	178.3	61.6	0	0	0	109.7	V35 R37 F43 L603 N604 G606	V35-L630 HydrophobicContact CB-CD1 4.11Å; V35-L630 HydrophobicContact CG1-CD1 3.67Å; V35-L630 WeakPolarHBondContact O-CA 3.33Å; R37-L630 HydrophobicContact CB-CD1 4.32Å; F43-L630 HydrophobicContact CD1-CD1 4.09Å; F43-L630 HydrophobicContact CE1-CD1 3.99Å; L603-L630 HydrophobicContact CB-CB 4.43Å; L603-L630 HydrophobicContact CB-CD2 4.1Å; L603-L630 WeakPolarHBondContact O-CD2 3.39Å; N604-L630 WeakPolarHBondContact O-CB 3.48Å; G606-L630 PolarHBondContact N-O 3.41Å; G606-L630 PolarHBondContact O-N 3.37Å
631	W	97	Very high	94.2	Very high	7 Å²	7	32.9 Å²	32.9	3%	0.027	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	172.1	176	-66.4	-9.1	0	0	0	110.8	L34 V35 V36 R37 Y629 D635 V637 K681 F682 P714 F750	L34-W631 HydrophobicContact CD1-CB 4.1Å; L34-W631 HydrophobicContact CD1-CD2 3.46Å; L34-W631 VanDerWaalsContact CD1-CD2 3.46Å; L34-W631 HydrophobicContact CD1-CE3 3.42Å; L34-W631 VanDerWaalsContact CD1-CE3 3.42Å; L34-W631 HydrophobicContact CD1-CG 3.79Å; L34-W631 HydrophobicContact CD1-CH2 4.5Å; L34-W631 HydrophobicContact CD1-CZ3 3.96Å; L34-W631 HydrophobicContact CD2-CE3 3.95Å; L34-W631 HydrophobicContact CD2-CZ3 4.01Å; L34-W631 HydrophobicContact CG-CE3 4.36Å; V35-W631 PolarHBondContact O-N 2.66Å; V36-W631 CarbonylContact C-O 3.55Å; V36-W631 WeakPolarHBondContact CA-O 3.41Å; R37-W631 PolarHBondContact N-O 2.69Å; Y629-W631 HydrophobicContact CD1-CZ2 4.48Å; Y629-W631 AromaticContact CD1-NE1 3.94Å; W631-D635 WeakPolarHBondContact CB-OD2 3.09Å; W631-V637 HydrophobicContact CE3-CG2 4.06Å; W631-V637 HydrophobicContact CZ3-CG1 4.14Å; W631-V637 HydrophobicContact CZ3-CG2 3.67Å; W631-K681 HydrophobicContact CD2-CB 4.15Å; W631-K681 HydrophobicContact CD2-CG 3.98Å; W631-K681 HydrophobicContact CE3-CB 4.11Å; W631-K681 HydrophobicContact CE3-CG 4.21Å; W631-K681 HydrophobicContact CG-CG 4.45Å; W631-K681 HydrophobicContact CH2-CB 3.66Å; W631-K681 HydrophobicContact CZ2-CB 3.64Å; W631-K681 HydrophobicContact CZ2-CG 4.28Å; W631-K681 HydrophobicContact CZ3-CB 3.9Å; W631-K681 HydrophobicContact CZ3-CG 4.49Å; W631-F682 WeakPolarHBondContact CH2-O 3.32Å; W631-P714 HydrophobicContact CH2-CG 3.86Å; W631-P714 HydrophobicContact CZ2-CG 3.97Å; W631-F750 HydrophobicContact CE3-CZ 4.13Å
632	N	95	Very high	94.6	Very high	20 Å²	20	29.6 Å²	29.6	11%	0.107	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	158.7	178.1	-57.3	-70.5	0	0	0	112.2	R37 E605 D634 D635 F750	R37-N632 VanDerWaalsContact CZ-OD1 3.22Å; R37-N632 PolarHBondContact NE-OD1 3.27Å; R37-N632 PolarHBondContact NH2-OD1 3.12Å; E605-N632 PolarHBondContact OE1-ND2 3.18Å; N632-D634 WeakPolarHBondContact CB-OD1 3.37Å; N632-D634 PolarHBondContact O-N 3.38Å; N632-D635 PolarHBondContact N-OD2 2.77Å; N632-D635 WeakPolarHBondContact O-CB 3.36Å; N632-D635 PolarHBondContact O-N 2.81Å; N632-F750 WeakPolarHBondContact O-CE1 3.45Å
633	W	94.1	Very high	94.9	Very high	49 Å²	49	28.6 Å²	28.6	19%	0.186	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.7	179.9	65.9	-85	0	0	0	114.7	V36 R37 R39 L751	V36-W633 HydrophobicContact CG1-CB 4.28Å; R37-W633 PolarHBondContact O-N 3.47Å; R39-W633 HydrophobicContact CB-CD2 4.23Å; R39-W633 HydrophobicContact CB-CG 4.31Å; R39-W633 HydrophobicContact CG-CZ2 4.22Å; R39-W633 VanDerWaalsContact NH1-CH2 3.29Å; W633-L751 WeakPolarHBondContact CB-O 3.34Å
634	D	92.6	Very high	94.9	Very high	75 Å²	75	22.4 Å²	22.4	40%	0.401	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-12.1	-178.9	56	-31	0	0	0	114.2	N632 K636	N632-D634 WeakPolarHBondContact CB-OD1 3.37Å; N632-D634 PolarHBondContact O-N 3.38Å; D634-K636 WeakPolarHBondContact O-CE 3.2Å; D634-K636 PolarHBondContact O-NZ 3.07Å
635	D	94.6	Very high	95.2	Very high	21 Å²	21	22.3 Å²	22.3	11%	0.112	11%	0.105	C	C	.	.			trans	-56.4	136.2	-179.7	-85.9	-44.9	0	0	0	112.7	W631 N632 K681	W631-D635 WeakPolarHBondContact CB-OD2 3.09Å; N632-D635 PolarHBondContact N-OD2 2.77Å; N632-D635 WeakPolarHBondContact O-CB 3.36Å; N632-D635 PolarHBondContact O-N 2.81Å; D635-K681 HydrophobicContact CB-CG 4.02Å; D635-K681 WeakPolarHBondContact OD1-CE 3.43Å; D635-K681 IonicContact OD1-NZ 3.85Å; D635-K681 PolarHBondContact OD1-NZ 3.35Å; D635-K681 WeakPolarHBondContact OD2-CE 3.33Å; D635-K681 IonicContact OD2-NZ 3.05Å
636	K	95.2	Very high	95.2	Very high	77 Å²	77	15.7 Å²	15.7	34%	0.335	8%	0.077	S	C	.	.			trans	-95.4	122.7	-179.8	-55.1	-50.5	177.7	-136.5	0	111	D634 Y680 K681 H758 V816	D634-K636 WeakPolarHBondContact O-CE 3.2Å; D634-K636 PolarHBondContact O-NZ 3.07Å; K636-Y680 HydrophobicContact CB-CD1 3.51Å; K636-Y680 HydrophobicContact CB-CE1 3.59Å; K636-Y680 HydrophobicContact CG-CE1 4.3Å; K636-Y680 WeakPolarHBondContact O-CA 3.37Å; K636-K681 PolarHBondContact O-N 2.85Å; K636-H758 HydrophobicContact CB-CB 4.48Å; K636-V816 HydrophobicContact CB-CG2 4.36Å; K636-V816 HydrophobicContact CG-CG1 4.4Å; K636-V816 HydrophobicContact CG-CG2 4.19Å
637	V	97.3	Very high	94.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.1	-169.5	-177.1	0	0	0	0	111	W631 K681 L683 F750 P756 F757 H758	W631-V637 HydrophobicContact CE3-CG2 4.06Å; W631-V637 HydrophobicContact CZ3-CG1 4.14Å; W631-V637 HydrophobicContact CZ3-CG2 3.67Å; V637-K681 CarbonylContact C-O 3.57Å; V637-K681 WeakPolarHBondContact CA-O 3.44Å; V637-L683 HydrophobicContact CG1-CB 3.58Å; V637-L683 HydrophobicContact CG1-CD2 4.23Å; V637-F750 HydrophobicContact CG2-CE1 4.36Å; V637-F750 HydrophobicContact CG2-CZ 3.92Å; V637-P756 HydrophobicContact CB-CB 4.45Å; V637-P756 HydrophobicContact CG2-CB 4.04Å; V637-P756 PolarHBondContact N-O 3.46Å; V637-F757 HydrophobicContact CB-CD1 4.05Å; V637-F757 HydrophobicContact CG1-CD1 4Å; V637-F757 HydrophobicContact CG1-CE1 4.18Å; V637-F757 CarbonylContact O-C 3.54Å; V637-F757 WeakPolarHBondContact O-CA 3.45Å; V637-H758 PolarHBondContact O-N 3.05Å
638	V	98.3	Very high	94.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.8	173.1	177.2	0	0	0	0	108.8	I675 Y680 K681 F682 L683 A759 F761 F813	V638-I675 HydrophobicContact CG2-CG2 4.01Å; V638-Y680 HydrophobicContact CG2-CD1 4.09Å; V638-Y680 HydrophobicContact CG2-CG 4.29Å; V638-K681 PolarHBondContact N-O 3.16Å; V638-F682 HydrophobicContact CB-CD1 4.34Å; V638-F682 HydrophobicContact CB-CE1 4.14Å; V638-F682 HydrophobicContact CB-CZ 4.3Å; V638-F682 HydrophobicContact CG1-CD1 4.26Å; V638-F682 HydrophobicContact CG1-CE1 3.74Å; V638-F682 HydrophobicContact CG1-CZ 4.11Å; V638-F682 WeakPolarHBondContact O-CA 3.37Å; V638-L683 PolarHBondContact O-N 3.11Å; V638-A759 WeakPolarHBondContact CA-O 3.45Å; V638-A759 HydrophobicContact CG1-CB 4.47Å; V638-F761 HydrophobicContact CG1-CD2 3.97Å; V638-F761 HydrophobicContact CG1-CE2 3.77Å; V638-F813 HydrophobicContact CG1-CE1 4.43Å; V638-F813 HydrophobicContact CG2-CD1 4.18Å; V638-F813 HydrophobicContact CG2-CE1 3.74Å
639	I	98.1	Very high	93	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	137.4	-179.9	-51.5	162.8	0	0	0	109.5	L683 L743 F757 A759 A760 F761 Y771 L776	I639-L683 CarbonylContact C-O 3.6Å; I639-L683 WeakPolarHBondContact CA-O 3.49Å; I639-L683 HydrophobicContact CG1-CD2 4.49Å; I639-L743 HydrophobicContact CD1-CD1 4.08Å; I639-L743 HydrophobicContact CD1-CD2 3.83Å; I639-L743 HydrophobicContact CG1-CD2 4.18Å; I639-L743 HydrophobicContact CG2-CD2 4.08Å; I639-F757 HydrophobicContact CD1-CB 4.3Å; I639-F757 HydrophobicContact CD1-CD1 3.67Å; I639-F757 HydrophobicContact CD1-CD2 4.15Å; I639-F757 HydrophobicContact CD1-CE1 3.95Å; I639-F757 HydrophobicContact CD1-CE2 4.39Å; I639-F757 HydrophobicContact CD1-CG 3.79Å; I639-F757 HydrophobicContact CD1-CZ 4.3Å; I639-F757 HydrophobicContact CG1-CD1 3.73Å; I639-F757 HydrophobicContact CG1-CE1 4.01Å; I639-F757 HydrophobicContact CG1-CG 4.31Å; I639-A759 PolarHBondContact N-O 2.91Å; I639-A760 HydrophobicContact CB-CB 3.96Å; I639-A760 HydrophobicContact CD1-CB 4.31Å; I639-A760 CarbonylContact O-C 3.52Å; I639-A760 VanDerWaalsContact O-CA 3.31Å; I639-A760 WeakPolarHBondContact O-CA 3.29Å; I639-F761 PolarHBondContact O-N 3.26Å; I639-Y771 HydrophobicContact CB-CE1 4.29Å; I639-Y771 HydrophobicContact CD1-CD1 4.06Å; I639-Y771 HydrophobicContact CD1-CE1 4.31Å; I639-Y771 HydrophobicContact CG2-CE1 3.72Å; I639-L776 HydrophobicContact CD1-CD1 3.93Å
640	S	97.6	Very high	91.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.5	166.7	-170.7	0	0	0	0	110.4	Y672 L683 Y684 C685	S640-Y672 WeakPolarHBondContact CB-OH 3.31Å; S640-Y672 WeakPolarHBondContact OG-CE2 3.45Å; S640-Y672 PolarHBondContact OG-OH 2.94Å; S640-L683 PolarHBondContact N-O 3.48Å; S640-Y684 WeakPolarHBondContact O-CA 3.3Å; S640-C685 PolarHBondContact O-N 3.31Å
641	D	95.1	Very high	89.5	Confident	5 Å²	5	23.7 Å²	23.7	3%	0.027	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	159.8	154.5	-163.4	-3.2	0	0	0	110	D643 I646 C685 K739 F761	D641-D643 PolarHBondContact OD1-N 2.95Å; D641-I646 WeakPolarHBondContact O-CG1 3.44Å; D641-C685 WeakPolarHBondContact CA-O 3.39Å; D641-K739 VanDerWaalsContact CG-NZ 3.25Å; D641-K739 IonicContact OD1-NZ 3.53Å; D641-K739 IonicContact OD2-NZ 3.82Å; D641-K739 PolarHBondContact OD2-NZ 3.39Å; D641-F761 PolarHBondContact N-O 2.84Å
642	I	92.5	Very high	87.5	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.14	C	C	.	.			trans	-104.8	-44.4	178.1	-55	170.6	0	0	0	110.1	I646 T647 C685 T696 Y699 L700 I715	I642-I646 HydrophobicContact CG1-CD1 4.35Å; I642-I646 PolarHBondContact O-N 2.9Å; I642-T647 PolarHBondContact O-N 3.33Å; I642-T647 PolarHBondContact O-OG1 3.3Å; I642-C685 PolarHBondContact N-O 3.4Å; I642-T696 HydrophobicContact CD1-CG2 3.62Å; I642-T696 HydrophobicContact CG2-CG2 4.5Å; I642-Y699 HydrophobicContact CG2-CD1 4.4Å; I642-Y699 HydrophobicContact CG2-CE1 4.3Å; I642-L700 HydrophobicContact CD1-CD1 3.87Å; I642-L700 HydrophobicContact CG1-CD1 4.35Å; I642-L700 HydrophobicContact CG2-CD2 4.28Å; I642-I715 HydrophobicContact CD1-CG2 4.02Å
643	D	88.7	Confident	85.6	Confident	14 Å²	14	24.8 Å²	24.8	8%	0.075	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	124.5	-174.1	-67.7	-64.2	0	0	0	109.4	D641 T645 T647 D650 S686 R688 N763	D641-D643 PolarHBondContact OD1-N 2.95Å; D643-T645 PolarHBondContact O-N 2.8Å; D643-T647 WeakPolarHBondContact CA-OG1 3.36Å; D643-D650 HydrophobicContact CB-CB 4.5Å; D643-S686 WeakPolarHBondContact OD2-CB 3.17Å; D643-S686 PolarHBondContact OD2-OG 3.04Å; D643-R688 IonicContact OD1-CZ 3.77Å; D643-R688 VanDerWaalsContact OD1-CZ 3.28Å; D643-R688 IonicContact OD1-NE 2.66Å; D643-R688 PolarHBondContact OD1-NE 3.43Å; D643-R688 IonicContact OD1-NH2 3.94Å; D643-R688 PolarHBondContact OD1-NH2 3.48Å; D643-R688 IonicContact OD2-CZ 3.99Å; D643-R688 IonicContact OD2-NE 3.92Å; D643-R688 PolarHBondContact OD2-NE 3.38Å; D643-R688 IonicContact OD2-NH2 3.32Å; D643-N763 PolarHBondContact O-OD1 2.84Å
644	G	89.2	Confident	83.8	Confident	2 Å²	2	25.6 Å²	25.6	2%	0.021	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	1.8	-175.4	0	0	0	0	0	117	T647 D650 N763	G644-T647 CarbonylContact C-O 3.54Å; G644-T647 WeakPolarHBondContact CA-O 3.34Å; G644-T647 PolarHBondContact N-O 3.03Å; G644-T647 PolarHBondContact N-OG1 3.06Å; G644-D650 WeakPolarHBondContact CA-OD1 3.48Å; G644-D650 PolarHBondContact N-OD1 2.81Å; G644-N763 WeakPolarHBondContact CA-ND2 3.41Å; G644-N763 WeakPolarHBondContact O-CB 3.49Å
645	T	94.2	Very high	82	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-55.4	177.5	-58.2	0	0	0	0	111.7	D643 T647 H665 F761 G762 N763 V784 Y802	D643-T645 PolarHBondContact O-N 2.8Å; T645-T647 PolarHBondContact N-O 3Å; T645-H665 PolarHBondContact O-CD2 3.21Å; T645-H665 VanDerWaalsContact O-CD2 3.28Å; T645-F761 HydrophobicContact CG2-CB 3.99Å; T645-G762 VanDerWaalsContact OG1-CA 3.3Å; T645-G762 WeakPolarHBondContact OG1-CA 3.4Å; T645-N763 WeakPolarHBondContact OG1-CB 3.42Å; T645-N763 PolarHBondContact OG1-N 3Å; T645-V784 HydrophobicContact CG2-CG1 4.24Å; T645-Y802 PolarHBondContact O-OH 2.93Å
646	I	93	Very high	80	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-47	168.3	-62.1	171.6	0	0	0	109	D641 I642 T664 H665 I668 Y684 Y699 L700 L710	D641-I646 WeakPolarHBondContact O-CG1 3.44Å; I642-I646 HydrophobicContact CG1-CD1 4.35Å; I642-I646 PolarHBondContact O-N 2.9Å; I646-T664 HydrophobicContact CG2-CG2 4.26Å; I646-T664 CarbonylContact O-C 3.59Å; I646-T664 VanDerWaalsContact O-CA 3.28Å; I646-T664 WeakPolarHBondContact O-CA 3.48Å; I646-H665 PolarHBondContact O-N 2.97Å; I646-I668 HydrophobicContact CB-CD1 4.37Å; I646-I668 HydrophobicContact CG1-CD1 3.94Å; I646-Y684 HydrophobicContact CD1-CD1 3.83Å; I646-Y684 HydrophobicContact CD1-CE1 3.8Å; I646-Y699 HydrophobicContact CG2-CE1 4.19Å; I646-L700 HydrophobicContact CD1-CD2 3.66Å; I646-L700 HydrophobicContact CG2-CD2 4.4Å; I646-L710 HydrophobicContact CD1-CD1 4.24Å; I646-L710 HydrophobicContact CG2-CD1 3.98Å
647	T	88.9	Confident	78	Confident	0 Å²	0	23 Å²	23	0%	0	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-78.7	148.9	169.9	55.7	0	0	0	0	111	I642 D643 G644 T645 S649 L656 W663 Y699	I642-T647 PolarHBondContact O-N 3.33Å; I642-T647 PolarHBondContact O-OG1 3.3Å; D643-T647 WeakPolarHBondContact CA-OG1 3.36Å; G644-T647 CarbonylContact C-O 3.54Å; G644-T647 WeakPolarHBondContact CA-O 3.34Å; G644-T647 PolarHBondContact N-O 3.03Å; G644-T647 PolarHBondContact N-OG1 3.06Å; T645-T647 PolarHBondContact N-O 3Å; T647-S649 VanDerWaalsContact C-N 3.25Å; T647-S649 PolarHBondContact O-N 2.98Å; T647-L656 HydrophobicContact CG2-CD2 3.88Å; T647-W663 CarbonylContact C-O 3.54Å; T647-Y699 HydrophobicContact CG2-CE1 3.62Å; T647-Y699 WeakPolarHBondContact CG2-OH 3.32Å
648	K	85.2	Confident	75.8	Confident	70 Å²	70	28.8 Å²	28.8	30%	0.304	16%	0.163	S	C	.	.	S	Bend	trans	-71.2	-10.9	179.8	-77.8	163.8	177.3	123.8	0	114.9	D662 W663 T664 H665	K648-D662 PolarHBondContact NZ-O 2.97Å; K648-W663 VanDerWaalsContact CB-O 3.3Å; K648-W663 WeakPolarHBondContact CB-O 3.37Å; K648-W663 WeakPolarHBondContact CD-O 3.42Å; K648-W663 WeakPolarHBondContact CG-O 3.49Å; K648-W663 PolarHBondContact N-O 3.43Å; K648-T664 WeakPolarHBondContact CE-O 3.28Å; K648-T664 PolarHBondContact NZ-O 2.89Å; K648-H665 WeakPolarHBondContact CA-NE2 3.2Å
649	S	70.8	Confident	73.7	Confident	44 Å²	44	32 Å²	32	31%	0.308	18%	0.18	S	C	.	.			trans	-166.7	127.4	-176.9	-70.2	0	0	0	0	111.7	T647 A651 L652 G653	T647-S649 VanDerWaalsContact C-N 3.25Å; T647-S649 PolarHBondContact O-N 2.98Å; S649-A651 PolarHBondContact O-N 2.95Å; S649-L652 PolarHBondContact O-N 2.98Å; S649-L652 VanDerWaalsContact O-N 3.13Å; S649-G653 PolarHBondContact O-N 3.39Å; S649-G653 VanDerWaalsContact O-N 3.14Å
650	D	64.5	Low	71.5	Confident	40 Å²	40	35.6 Å²	35.6	21%	0.214	22%	0.216	C	C	.	.	H	α-helix	trans	-47.3	-53.9	179.7	-36	-31.8	0	0	0	112.5	D643 G644 L652 G653 H654 N763 R764	D643-D650 HydrophobicContact CB-CB 4.5Å; G644-D650 WeakPolarHBondContact CA-OD1 3.48Å; G644-D650 PolarHBondContact N-OD1 2.81Å; D650-L652 VanDerWaalsContact C-N 3.29Å; D650-L652 PolarHBondContact O-N 2.74Å; D650-G653 PolarHBondContact O-N 3.45Å; D650-H654 PolarHBondContact O-CD2 3.27Å; D650-N763 PolarHBondContact OD1-ND2 3.48Å; D650-R764 IonicContact OD2-CZ 3.24Å; D650-R764 VanDerWaalsContact OD2-CZ 3.24Å; D650-R764 IonicContact OD2-NE 2.77Å; D650-R764 PolarHBondContact OD2-NE 3.03Å; D650-R764 IonicContact OD2-NH2 3.76Å; D650-R764 PolarHBondContact OD2-NH2 3.45Å
651	A	57.3	Low	69.7	Low	74 Å²	74	42.3 Å²	42.3	61%	0.612	25%	0.246	S	C	*	.	H	α-helix	trans	-63.1	-31.9	-175.2	0	0	0	0	0	113.6	S649	S649-A651 PolarHBondContact O-N 2.95Å
652	L	55.3	Low	68.4	Low	47 Å²	47	47.1 Å²	47.1	25%	0.246	27%	0.272	C	S	.	.	H	α-helix	trans	-77.3	-29.2	175.9	-65.7	179.4	0	0	0	111.4	S649 D650 H654 I655 L656 W663	S649-L652 PolarHBondContact O-N 2.98Å; S649-L652 VanDerWaalsContact O-N 3.13Å; D650-L652 VanDerWaalsContact C-N 3.29Å; D650-L652 PolarHBondContact O-N 2.74Å; L652-H654 PolarHBondContact O-N 3.09Å; L652-I655 HydrophobicContact CD2-CD1 4.27Å; L652-I655 PolarHBondContact O-N 2.86Å; L652-L656 VanDerWaalsContact C-CD1 3.46Å; L652-L656 HydrophobicContact CB-CD1 3.93Å; L652-L656 WeakPolarHBondContact O-CD1 3.26Å; L652-L656 PolarHBondContact O-N 2.8Å; L652-W663 HydrophobicContact CD1-CD2 3.97Å; L652-W663 HydrophobicContact CD1-CE3 3.52Å; L652-W663 HydrophobicContact CD1-CH2 3.8Å; L652-W663 HydrophobicContact CD1-CZ2 4.22Å; L652-W663 HydrophobicContact CD1-CZ3 3.44Å; L652-W663 VanDerWaalsContact CD1-CZ3 3.44Å
653	G	55.1	Low	67.6	Low	3 Å²	3	50.6 Å²	50.6	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-51.5	-30.4	178.3	0	0	0	0	0	114.3	S649 D650 R688	S649-G653 PolarHBondContact O-N 3.39Å; S649-G653 VanDerWaalsContact O-N 3.14Å; D650-G653 PolarHBondContact O-N 3.45Å; G653-R688 PolarHBondContact O-NH2 3.23Å
654	H	56.8	Low	67.6	Low	66 Å²	66	50.7 Å²	50.7	31%	0.306	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-15.6	176.9	-59.5	-83.3	0	0	0	114.8	D650 L652	D650-H654 PolarHBondContact O-CD2 3.27Å; L652-H654 PolarHBondContact O-N 3.09Å
655	I	54.1	Low	67.7	Low	28 Å²	28	50.8 Å²	50.8	14%	0.144	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-18.8	-172.3	-44.5	173	0	0	0	111.1	V11 V15 L652 P657	V11-I655 HydrophobicContact CG1-CD1 4.21Å; V15-I655 HydrophobicContact CG2-CB 4.49Å; V15-I655 HydrophobicContact CG2-CD1 3.54Å; V15-I655 HydrophobicContact CG2-CG1 3.77Å; V15-I655 HydrophobicContact CG2-CG2 3.89Å; L652-I655 HydrophobicContact CD2-CD1 4.27Å; L652-I655 PolarHBondContact O-N 2.86Å; I655-P657 VanDerWaalsContact C-CD 3.44Å; I655-P657 WeakPolarHBondContact O-CD 3.32Å
656	L	53.8	Low	67.5	Low	14 Å²	14	56.6 Å²	56.6	7%	0.073	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-48.2	-46.2	-160.9	-125.4	75.9	0	0	0	118.3	T647 L652 Q658 L659 W663 Y699	T647-L656 HydrophobicContact CG2-CD2 3.88Å; L652-L656 VanDerWaalsContact C-CD1 3.46Å; L652-L656 HydrophobicContact CB-CD1 3.93Å; L652-L656 WeakPolarHBondContact O-CD1 3.26Å; L652-L656 PolarHBondContact O-N 2.8Å; L656-Q658 PolarHBondContact O-N 3.05Å; L656-L659 PolarHBondContact O-N 2.78Å; L656-W663 HydrophobicContact CD1-CB 3.73Å; L656-W663 VanDerWaalsContact CD1-CD1 3.5Å; L656-W663 HydrophobicContact CD1-CG 3.69Å; L656-W663 HydrophobicContact CD2-CB 4.13Å; L656-W663 HydrophobicContact CG-CB 4.19Å; L656-W663 HydrophobicContact CG-CG 4.23Å; L656-Y699 HydrophobicContact CD2-CD2 3.82Å; L656-Y699 HydrophobicContact CD2-CE2 3.26Å
657	P	52.6	Low	67.5	Low	75 Å²	75	56.7 Å²	56.7	49%	0.487	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-62.5	-18.4	-165	-28.6	37.9	0	0	0	116.1	I655 L695	I655-P657 VanDerWaalsContact C-CD 3.44Å; I655-P657 WeakPolarHBondContact O-CD 3.32Å; P657-L695 HydrophobicContact CB-CD1 4.42Å; P657-L695 HydrophobicContact CG-CD1 3.89Å; P657-L695 HydrophobicContact CG-CD2 4.22Å; P657-L695 HydrophobicContact CG-CG 3.96Å
658	Q	51	Low	67.8	Low	122 Å²	122	56.7 Å²	56.7	57%	0.57	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-101.7	-8	-174.1	-65.9	-173.5	-20.8	0	0	114.5	L656	L656-Q658 PolarHBondContact O-N 3.05Å
659	L	54.1	Low	68.3	Low	68 Å²	68	53.4 Å²	53.4	36%	0.356	30%	0.3	S	S	.	.	S	Bend	trans	-104	6.2	-168.4	-137.6	74.3	0	0	0	115.6	L656 K661 W663	L656-L659 PolarHBondContact O-N 2.78Å; L659-K661 VanDerWaalsContact C-N 3.3Å; L659-K661 PolarHBondContact O-N 2.81Å; L659-K661 VanDerWaalsContact O-N 3.12Å; L659-W663 HydrophobicContact CD2-CZ2 4.49Å
660	G	52	Low	69.4	Low	75 Å²	75	53.7 Å²	53.7	77%	0.773	30%	0.302	S	S	*	.			trans	58.3	29.8	164.4	0	0	0	0	0	116.5
661	K	59.4	Low	71	Confident	142 Å²	142	51.9 Å²	51.9	62%	0.617	29%	0.292	S	S	*	.	S	Bend	trans	-136.1	143.8	178.8	-79.5	-174.9	175.2	179.1	0	111.8	L659 W663	L659-K661 VanDerWaalsContact C-N 3.3Å; L659-K661 PolarHBondContact O-N 2.81Å; L659-K661 VanDerWaalsContact O-N 3.12Å; K661-W663 PolarHBondContact O-N 3.22Å
662	D	68.3	Low	72.9	Confident	106 Å²	106	48.3 Å²	48.3	57%	0.567	26%	0.263	S	S	*	.			trans	-79.4	88.4	179.8	-54.2	-33.5	0	0	0	110.9	K648 T664 W702	K648-D662 PolarHBondContact NZ-O 2.97Å; D662-T664 PolarHBondContact O-N 2.84Å; D662-W702 VanDerWaalsContact OD1-CH2 3.28Å; D662-W702 WeakPolarHBondContact OD1-CH2 3.45Å; D662-W702 WeakPolarHBondContact OD1-CZ3 3.41Å
663	W	75.8	Confident	74.8	Confident	72 Å²	72	49.4 Å²	49.4	27%	0.273	27%	0.266	S	S	.	.			trans	-79.8	9.3	172.6	-56.8	94.9	0	0	0	112.9	T647 K648 L652 L656 L659 K661	T647-W663 CarbonylContact C-O 3.54Å; K648-W663 VanDerWaalsContact CB-O 3.3Å; K648-W663 WeakPolarHBondContact CB-O 3.37Å; K648-W663 WeakPolarHBondContact CD-O 3.42Å; K648-W663 WeakPolarHBondContact CG-O 3.49Å; K648-W663 PolarHBondContact N-O 3.43Å; L652-W663 HydrophobicContact CD1-CD2 3.97Å; L652-W663 HydrophobicContact CD1-CE3 3.52Å; L652-W663 HydrophobicContact CD1-CH2 3.8Å; L652-W663 HydrophobicContact CD1-CZ2 4.22Å; L652-W663 HydrophobicContact CD1-CZ3 3.44Å; L652-W663 VanDerWaalsContact CD1-CZ3 3.44Å; L656-W663 HydrophobicContact CD1-CB 3.73Å; L656-W663 VanDerWaalsContact CD1-CD1 3.5Å; L656-W663 HydrophobicContact CD1-CG 3.69Å; L656-W663 HydrophobicContact CD2-CB 4.13Å; L656-W663 HydrophobicContact CG-CB 4.19Å; L656-W663 HydrophobicContact CG-CG 4.23Å; L659-W663 HydrophobicContact CD2-CZ2 4.49Å; K661-W663 PolarHBondContact O-N 3.22Å
664	T	87.6	Confident	76.7	Confident	17 Å²	17	53 Å²	53	10%	0.104	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-68.6	144.9	173.5	-45.6	0	0	0	0	111.6	I646 K648 D662 I668 Y699 V703	I646-T664 HydrophobicContact CG2-CG2 4.26Å; I646-T664 CarbonylContact O-C 3.59Å; I646-T664 VanDerWaalsContact O-CA 3.28Å; I646-T664 WeakPolarHBondContact O-CA 3.48Å; K648-T664 WeakPolarHBondContact CE-O 3.28Å; K648-T664 PolarHBondContact NZ-O 2.89Å; D662-T664 PolarHBondContact O-N 2.84Å; T664-I668 HydrophobicContact CG2-CG2 3.63Å; T664-Y699 PolarHBondContact OG1-OH 3.49Å; T664-V703 HydrophobicContact CG2-CG1 3.64Å
665	H	91.2	Very high	78.7	Confident	3 Å²	3	49.9 Å²	49.9	1%	0.014	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-68	136.1	169.3	-85.2	-75	0	0	0	112.4	T645 I646 K648 I668 N785 G788 Y802	T645-H665 PolarHBondContact O-CD2 3.21Å; T645-H665 VanDerWaalsContact O-CD2 3.28Å; I646-H665 PolarHBondContact O-N 2.97Å; K648-H665 WeakPolarHBondContact CA-NE2 3.2Å; H665-I668 WeakPolarHBondContact O-CG2 3.45Å; H665-I668 PolarHBondContact O-N 3.06Å; H665-N785 PolarHBondContact CE1-O 3.29Å; H665-N785 VanDerWaalsContact CE1-O 3.23Å; H665-G788 PolarHBondContact CE1-N 2.95Å; H665-G788 WeakPolarHBondContact ND1-CA 3.45Å; H665-Y802 HydrophobicContact CB-CD2 3.93Å; H665-Y802 HydrophobicContact CB-CE2 3.62Å
666	Q	91.5	Very high	80.6	Confident	122 Å²	122	52.2 Å²	52.2	57%	0.57	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	137.9	-175.1	-162.7	-175.4	-3.2	0	0	112.2	I668 E705	Q666-I668 VanDerWaalsContact C-N 3.29Å; Q666-I668 PolarHBondContact O-N 3.24Å; Q666-E705 WeakPolarHBondContact CG-OE1 3.11Å
667	G	92.9	Very high	82.6	Confident	3 Å²	3	57.2 Å²	57.2	3%	0.031	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-3.7	-178.1	0	0	0	0	0	115.1	S670 L671 E705	G667-S670 PolarHBondContact O-N 3.09Å; G667-L671 PolarHBondContact O-N 2.9Å; G667-E705 PolarHBondContact N-OE1 3.28Å; G667-E705 PolarHBondContact N-OE2 3.08Å
668	I	95.3	Very high	84.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-68.5	-38.8	-174	-160.1	176.4	0	0	0	112	I646 T664 H665 Q666 L671 Y672 Y802	I646-I668 HydrophobicContact CB-CD1 4.37Å; I646-I668 HydrophobicContact CG1-CD1 3.94Å; T664-I668 HydrophobicContact CG2-CG2 3.63Å; H665-I668 WeakPolarHBondContact O-CG2 3.45Å; H665-I668 PolarHBondContact O-N 3.06Å; Q666-I668 VanDerWaalsContact C-N 3.29Å; Q666-I668 PolarHBondContact O-N 3.24Å; I668-L671 PolarHBondContact O-N 3.38Å; I668-Y672 HydrophobicContact CD1-CE1 4.26Å; I668-Y672 HydrophobicContact CD1-CE2 4.17Å; I668-Y672 HydrophobicContact CG1-CD1 4.06Å; I668-Y672 HydrophobicContact CG1-CD2 4.46Å; I668-Y672 HydrophobicContact CG1-CE1 3.77Å; I668-Y672 HydrophobicContact CG1-CE2 4.19Å; I668-Y672 HydrophobicContact CG1-CG 4.4Å; I668-Y672 WeakPolarHBondContact O-CB 3.32Å; I668-Y672 WeakPolarHBondContact O-CD1 3.44Å; I668-Y672 PolarHBondContact O-N 3.48Å; I668-Y802 HydrophobicContact CB-CD2 3.9Å; I668-Y802 HydrophobicContact CB-CE2 4.16Å; I668-Y802 HydrophobicContact CB-CG 4.19Å; I668-Y802 HydrophobicContact CD1-CD2 4.41Å; I668-Y802 HydrophobicContact CD1-CE1 4.23Å; I668-Y802 HydrophobicContact CD1-CE2 3.81Å; I668-Y802 HydrophobicContact CG1-CD1 4.24Å; I668-Y802 HydrophobicContact CG1-CD2 4.09Å; I668-Y802 HydrophobicContact CG1-CE1 4.12Å; I668-Y802 HydrophobicContact CG1-CE2 3.99Å; I668-Y802 HydrophobicContact CG1-CG 4.21Å
669	T	95.1	Very high	86.7	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69.1	-40	179.3	76.4	0	0	0	0	111	L671 Y672 H673 V703 E705 C708 L710	T669-L671 PolarHBondContact O-N 3.26Å; T669-Y672 PolarHBondContact O-N 3.28Å; T669-H673 WeakPolarHBondContact O-CB 3.31Å; T669-H673 PolarHBondContact O-N 2.89Å; T669-V703 HydrophobicContact CG2-CG1 3.76Å; T669-E705 HydrophobicContact CG2-CB 4.03Å; T669-E705 WeakPolarHBondContact OG1-CB 3.17Å; T669-C708 WeakPolarHBondContact CB-O 3.28Å; T669-C708 PolarHBondContact OG1-O 2.7Å; T669-L710 HydrophobicContact CG2-CD2 3.97Å; T669-L710 HydrophobicContact CG2-CG 4.23Å
670	S	94.5	Very high	88.8	Confident	50 Å²	50	47.1 Å²	47.1	35%	0.35	26%	0.255	S	S	.	.	H	α-helix	trans	-62.4	-43.2	176.1	-172.4	0	0	0	0	111.7	G667 K674	G667-S670 PolarHBondContact O-N 3.09Å; S670-K674 WeakPolarHBondContact O-CB 3.47Å; S670-K674 VanDerWaalsContact O-CG 3.27Å; S670-K674 WeakPolarHBondContact O-CG 3.16Å; S670-K674 PolarHBondContact O-N 2.58Å
671	L	96.5	Very high	91	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-52.7	173.2	174.1	68.1	0	0	0	111.6	G667 I668 T669 H673 K674 I675 F761 Y802 L805 V809	G667-L671 PolarHBondContact O-N 2.9Å; I668-L671 PolarHBondContact O-N 3.38Å; T669-L671 PolarHBondContact O-N 3.26Å; L671-H673 VanDerWaalsContact C-N 3.31Å; L671-H673 PolarHBondContact O-N 2.81Å; L671-K674 PolarHBondContact O-N 3Å; L671-I675 HydrophobicContact CD1-CD1 3.81Å; L671-I675 HydrophobicContact CD1-CG1 4.23Å; L671-I675 HydrophobicContact CD2-CD1 4.44Å; L671-I675 HydrophobicContact CG-CD1 3.8Å; L671-I675 WeakPolarHBondContact O-CG1 3.3Å; L671-I675 PolarHBondContact O-N 2.97Å; L671-F761 HydrophobicContact CD2-CE1 4.17Å; L671-F761 HydrophobicContact CD2-CZ 4.07Å; L671-Y802 HydrophobicContact CD2-CD1 3.54Å; L671-Y802 HydrophobicContact CD2-CE1 4.36Å; L671-Y802 HydrophobicContact CD2-CG 4.31Å; L671-L805 HydrophobicContact CD1-CB 4.26Å; L671-L805 HydrophobicContact CD1-CD2 4.47Å; L671-L805 HydrophobicContact CD1-CG 4.3Å; L671-L805 HydrophobicContact CD2-CB 4.34Å; L671-L805 HydrophobicContact CD2-CD2 3.95Å; L671-L805 HydrophobicContact CD2-CG 4.5Å; L671-V809 HydrophobicContact CD1-CG2 4.43Å
672	Y	97.6	Very high	92.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.8	-35.1	-174.8	-76.1	17.1	0	0	0	111.5	S640 I668 T669 I675 H676 F682 Y684 L710 F761	S640-Y672 WeakPolarHBondContact CB-OH 3.31Å; S640-Y672 WeakPolarHBondContact OG-CE2 3.45Å; S640-Y672 PolarHBondContact OG-OH 2.94Å; I668-Y672 HydrophobicContact CD1-CE1 4.26Å; I668-Y672 HydrophobicContact CD1-CE2 4.17Å; I668-Y672 HydrophobicContact CG1-CD1 4.06Å; I668-Y672 HydrophobicContact CG1-CD2 4.46Å; I668-Y672 HydrophobicContact CG1-CE1 3.77Å; I668-Y672 HydrophobicContact CG1-CE2 4.19Å; I668-Y672 HydrophobicContact CG1-CG 4.4Å; I668-Y672 WeakPolarHBondContact O-CB 3.32Å; I668-Y672 WeakPolarHBondContact O-CD1 3.44Å; I668-Y672 PolarHBondContact O-N 3.48Å; T669-Y672 PolarHBondContact O-N 3.28Å; Y672-I675 PolarHBondContact O-N 3.37Å; Y672-H676 VanDerWaalsContact O-CB 3.31Å; Y672-H676 WeakPolarHBondContact O-CB 3.33Å; Y672-H676 PolarHBondContact O-N 3.47Å; Y672-F682 AromaticContact CD1-CE1 3.83Å; Y672-F682 HydrophobicContact CD1-CE1 3.83Å; Y672-F682 HydrophobicContact CD1-CZ 4.05Å; Y672-F682 AromaticContact CD2-CD1 3.86Å; Y672-F682 HydrophobicContact CD2-CD1 3.86Å; Y672-F682 AromaticContact CD2-CE1 3.41Å; Y672-F682 HydrophobicContact CD2-CE1 3.41Å; Y672-F682 VanDerWaalsContact CD2-CE1 3.41Å; Y672-F682 HydrophobicContact CD2-CZ 4.13Å; Y672-F682 HydrophobicContact CE1-CE1 4.17Å; Y672-F682 HydrophobicContact CE2-CD1 4.17Å; Y672-F682 AromaticContact CE2-CE1 3.79Å; Y672-F682 HydrophobicContact CE2-CE1 3.79Å; Y672-F682 HydrophobicContact CG-CD1 4.3Å; Y672-F682 AromaticContact CG-CE1 3.43Å; Y672-F682 HydrophobicContact CG-CE1 3.43Å; Y672-F682 VanDerWaalsContact CG-CE1 3.43Å; Y672-F682 AromaticContact CG-CZ 3.71Å; Y672-F682 HydrophobicContact CG-CZ 3.71Å; Y672-F682 WeakPolarHBondContact O-CE2 3.43Å; Y672-Y684 HydrophobicContact CE2-CE1 4.41Å; Y672-L710 HydrophobicContact CD2-CD2 3.88Å; Y672-L710 HydrophobicContact CG-CD2 4.49Å; Y672-F761 AromaticContact CE1-CD2 3.82Å; Y672-F761 HydrophobicContact CE1-CD2 3.82Å; Y672-F761 AromaticContact CE1-CE2 3.84Å; Y672-F761 HydrophobicContact CE1-CE2 3.84Å; Y672-F761 HydrophobicContact CE1-CG 4.18Å; Y672-F761 HydrophobicContact CE1-CZ 4.22Å; Y672-F761 AromaticContact CZ-CD2 3.94Å; Y672-F761 VanDerWaalsContact OH-CB 3.3Å; Y672-F761 WeakPolarHBondContact OH-CB 3.49Å; Y672-F761 WeakPolarHBondContact OH-CD2 3.32Å; Y672-F761 WeakPolarHBondContact OH-CG 3.48Å
673	H	95.3	Very high	94.2	Very high	69 Å²	69	34.3 Å²	34.3	32%	0.319	17%	0.173	S	C	.	.	H	α-helix	trans	-63.8	-45.7	172.3	-173.4	71.3	0	0	0	111.8	T669 L671 I675 H676 L677	T669-H673 WeakPolarHBondContact O-CB 3.31Å; T669-H673 PolarHBondContact O-N 2.89Å; L671-H673 VanDerWaalsContact C-N 3.31Å; L671-H673 PolarHBondContact O-N 2.81Å; H673-I675 PolarHBondContact O-N 3.01Å; H673-H676 WeakPolarHBondContact O-CB 3.47Å; H673-H676 PolarHBondContact O-N 3.34Å; H673-L677 WeakPolarHBondContact O-CG 2.98Å; H673-L677 PolarHBondContact O-N 3.39Å
674	K	95.7	Very high	95.2	Very high	80 Å²	80	31.1 Å²	31.1	35%	0.348	16%	0.161	S	C	.	.	H	α-helix	trans	-58.7	-47.3	173.7	-76.2	167.4	166.5	-176.2	0	112.4	S670 L671 H676 L677 N678 G806 V809	S670-K674 WeakPolarHBondContact O-CB 3.47Å; S670-K674 VanDerWaalsContact O-CG 3.27Å; S670-K674 WeakPolarHBondContact O-CG 3.16Å; S670-K674 PolarHBondContact O-N 2.58Å; L671-K674 PolarHBondContact O-N 3Å; K674-H676 VanDerWaalsContact C-N 3.27Å; K674-H676 PolarHBondContact O-N 2.8Å; K674-L677 PolarHBondContact O-N 2.93Å; K674-N678 PolarHBondContact O-N 2.95Å; K674-G806 PolarHBondContact NZ-O 3.44Å; K674-V809 HydrophobicContact CB-CG1 4.24Å; K674-V809 HydrophobicContact CB-CG2 4.12Å; K674-V809 HydrophobicContact CD-CG1 4.22Å
675	I	97.3	Very high	95.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59	-40.6	176	-67.5	170.4	0	0	0	110.7	V638 L671 Y672 H673 N678 Y680 F682 F761 V809 F813	V638-I675 HydrophobicContact CG2-CG2 4.01Å; L671-I675 HydrophobicContact CD1-CD1 3.81Å; L671-I675 HydrophobicContact CD1-CG1 4.23Å; L671-I675 HydrophobicContact CD2-CD1 4.44Å; L671-I675 HydrophobicContact CG-CD1 3.8Å; L671-I675 WeakPolarHBondContact O-CG1 3.3Å; L671-I675 PolarHBondContact O-N 2.97Å; Y672-I675 PolarHBondContact O-N 3.37Å; H673-I675 PolarHBondContact O-N 3.01Å; I675-N678 PolarHBondContact O-N 3.16Å; I675-Y680 HydrophobicContact CG2-CD2 4.14Å; I675-Y680 HydrophobicContact CG2-CG 4.1Å; I675-Y680 WeakPolarHBondContact O-CD2 3.27Å; I675-F682 HydrophobicContact CB-CE2 4Å; I675-F682 HydrophobicContact CB-CZ 3.85Å; I675-F682 HydrophobicContact CD1-CZ 4.34Å; I675-F682 HydrophobicContact CG2-CE2 3.65Å; I675-F682 HydrophobicContact CG2-CZ 3.61Å; I675-F761 HydrophobicContact CD1-CE2 4.28Å; I675-F761 HydrophobicContact CD1-CZ 4.25Å; I675-V809 HydrophobicContact CG1-CG2 3.72Å; I675-F813 HydrophobicContact CB-CD1 4.47Å; I675-F813 HydrophobicContact CB-CG 4.47Å; I675-F813 HydrophobicContact CD1-CD1 4.18Å; I675-F813 HydrophobicContact CD1-CD2 3.84Å; I675-F813 HydrophobicContact CD1-CE1 3.98Å; I675-F813 HydrophobicContact CD1-CE2 3.64Å; I675-F813 HydrophobicContact CD1-CG 4.11Å; I675-F813 HydrophobicContact CD1-CZ 3.71Å; I675-F813 HydrophobicContact CG1-CB 4.19Å; I675-F813 HydrophobicContact CG1-CD1 4.06Å; I675-F813 HydrophobicContact CG1-CD2 3.77Å; I675-F813 HydrophobicContact CG1-CE1 4.37Å; I675-F813 HydrophobicContact CG1-CE2 4.13Å; I675-F813 HydrophobicContact CG1-CG 3.74Å; I675-F813 HydrophobicContact CG1-CZ 4.41Å; I675-F813 HydrophobicContact CG2-CB 4.45Å; I675-F813 HydrophobicContact CG2-CD1 3.65Å; I675-F813 HydrophobicContact CG2-CE1 4.05Å; I675-F813 HydrophobicContact CG2-CG 4.09Å
676	H	96	Very high	95.3	Very high	77 Å²	77	30.3 Å²	30.3	36%	0.356	16%	0.156	S	C	.	.	H	α-helix	trans	-67.9	-40.5	178	179.6	49.5	0	0	0	113.3	Y672 H673 K674 N678 G679 Y680 F682 P711	Y672-H676 VanDerWaalsContact O-CB 3.31Å; Y672-H676 WeakPolarHBondContact O-CB 3.33Å; Y672-H676 PolarHBondContact O-N 3.47Å; H673-H676 WeakPolarHBondContact O-CB 3.47Å; H673-H676 PolarHBondContact O-N 3.34Å; K674-H676 VanDerWaalsContact C-N 3.27Å; K674-H676 PolarHBondContact O-N 2.8Å; H676-N678 PolarHBondContact O-N 3.07Å; H676-G679 PolarHBondContact O-N 2.66Å; H676-Y680 PolarHBondContact ND1-O 2.86Å; H676-F682 HydrophobicContact CB-CD2 4.4Å; H676-F682 HydrophobicContact CB-CE2 4.15Å; H676-P711 HydrophobicContact CB-CB 3.73Å; H676-P711 HydrophobicContact CB-CG 4.14Å
677	L	94.6	Very high	94.8	Very high	119 Å²	119	26.2 Å²	26.2	62%	0.623	14%	0.143	S	C	*	.	H	α-helix	trans	-59.3	-30	173.7	-70.6	174.1	0	0	0	112.2	H673 K674 G679	H673-L677 WeakPolarHBondContact O-CG 2.98Å; H673-L677 PolarHBondContact O-N 3.39Å; K674-L677 PolarHBondContact O-N 2.93Å; L677-G679 PolarHBondContact O-N 3.14Å
678	N	95.8	Very high	94.3	Very high	20 Å²	20	26.7 Å²	26.7	11%	0.107	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	8.8	174.9	-69.7	3.1	0	0	0	113.6	K674 I675 H676 Y680 E810 F813 P815 V816	K674-N678 PolarHBondContact O-N 2.95Å; I675-N678 PolarHBondContact O-N 3.16Å; H676-N678 PolarHBondContact O-N 3.07Å; N678-Y680 HydrophobicContact CB-CD2 4.12Å; N678-Y680 HydrophobicContact CB-CE2 4.23Å; N678-E810 PolarHBondContact ND2-OE1 2.82Å; N678-F813 PolarHBondContact ND2-O 3.23Å; N678-P815 HydrophobicContact CB-CG 4.36Å; N678-P815 WeakPolarHBondContact O-CA 3.31Å; N678-V816 PolarHBondContact O-N 2.88Å
679	G	95	Very high	93.7	Very high	25 Å²	25	26.8 Å²	26.8	26%	0.258	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.8	-4	171.5	0	0	0	0	0	115.3	H676 L677	H676-G679 PolarHBondContact O-N 2.66Å; L677-G679 PolarHBondContact O-N 3.14Å
680	Y	97.4	Very high	93.2	Very high	7 Å²	7	26.9 Å²	26.9	3%	0.027	15%	0.145	C	C	.	.			trans	-73.8	141.3	-179.6	-65.6	-89.8	0	0	0	112.1	K636 V638 I675 H676 N678 H758 F813 P814 V816	K636-Y680 HydrophobicContact CB-CD1 3.51Å; K636-Y680 HydrophobicContact CB-CE1 3.59Å; K636-Y680 HydrophobicContact CG-CE1 4.3Å; K636-Y680 WeakPolarHBondContact O-CA 3.37Å; V638-Y680 HydrophobicContact CG2-CD1 4.09Å; V638-Y680 HydrophobicContact CG2-CG 4.29Å; I675-Y680 HydrophobicContact CG2-CD2 4.14Å; I675-Y680 HydrophobicContact CG2-CG 4.1Å; I675-Y680 WeakPolarHBondContact O-CD2 3.27Å; H676-Y680 PolarHBondContact ND1-O 2.86Å; N678-Y680 HydrophobicContact CB-CD2 4.12Å; N678-Y680 HydrophobicContact CB-CE2 4.23Å; Y680-H758 HydrophobicContact CD1-CB 4.19Å; Y680-H758 HydrophobicContact CE1-CB 3.81Å; Y680-H758 AromaticContact CE1-CD2 3.47Å; Y680-H758 VanDerWaalsContact CE1-CD2 3.47Å; Y680-H758 WeakPolarHBondContact CE1-CD2 3.48Å; Y680-H758 AromaticContact CE1-CE1 3.89Å; Y680-H758 AromaticContact CE1-CG 3.42Å; Y680-H758 VanDerWaalsContact CE1-CG 3.42Å; Y680-H758 AromaticContact CE1-ND1 3.71Å; Y680-H758 AromaticContact CE1-NE2 3.77Å; Y680-H758 AromaticContact CZ-CD2 3.89Å; Y680-H758 AromaticContact CZ-CE1 3.89Å; Y680-H758 AromaticContact CZ-NE2 3.72Å; Y680-H758 PolarHBondContact OH-CE1 3.37Å; Y680-H758 PolarHBondContact OH-NE2 3.43Å; Y680-F813 HydrophobicContact CD2-CB 4.13Å; Y680-F813 HydrophobicContact CD2-CD1 4.34Å; Y680-F813 HydrophobicContact CE1-CD1 4.48Å; Y680-F813 HydrophobicContact CE2-CB 3.66Å; Y680-F813 HydrophobicContact CE2-CD1 4.27Å; Y680-F813 HydrophobicContact CE2-CG 4.49Å; Y680-F813 HydrophobicContact CG-CD1 4.48Å; Y680-P814 WeakPolarHBondContact CE2-O 3.42Å; Y680-P814 PolarHBondContact OH-O 3.16Å; Y680-V816 HydrophobicContact CD1-CG2 4.26Å; Y680-V816 HydrophobicContact CD2-CG2 4.07Å; Y680-V816 HydrophobicContact CE1-CG2 3.96Å; Y680-V816 HydrophobicContact CE2-CG2 3.77Å; Y680-V816 HydrophobicContact CG-CG2 4.32Å
681	K	97.3	Very high	92.6	Very high	54 Å²	54	25.1 Å²	25.1	24%	0.235	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	147.9	171.9	-46	-63.2	-178.2	178.9	0	110	W631 D635 K636 V637 V638	W631-K681 HydrophobicContact CD2-CB 4.15Å; W631-K681 HydrophobicContact CD2-CG 3.98Å; W631-K681 HydrophobicContact CE3-CB 4.11Å; W631-K681 HydrophobicContact CE3-CG 4.21Å; W631-K681 HydrophobicContact CG-CG 4.45Å; W631-K681 HydrophobicContact CH2-CB 3.66Å; W631-K681 HydrophobicContact CZ2-CB 3.64Å; W631-K681 HydrophobicContact CZ2-CG 4.28Å; W631-K681 HydrophobicContact CZ3-CB 3.9Å; W631-K681 HydrophobicContact CZ3-CG 4.49Å; D635-K681 HydrophobicContact CB-CG 4.02Å; D635-K681 WeakPolarHBondContact OD1-CE 3.43Å; D635-K681 IonicContact OD1-NZ 3.85Å; D635-K681 PolarHBondContact OD1-NZ 3.35Å; D635-K681 WeakPolarHBondContact OD2-CE 3.33Å; D635-K681 IonicContact OD2-NZ 3.05Å; K636-K681 PolarHBondContact O-N 2.85Å; V637-K681 CarbonylContact C-O 3.57Å; V637-K681 WeakPolarHBondContact CA-O 3.44Å; V638-K681 PolarHBondContact N-O 3.16Å
682	F	98.1	Very high	91.8	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.1	176.6	-85.1	-97.9	0	0	0	111.9	W631 V638 Y672 I675 H676 Y684 P711 G713	W631-F682 WeakPolarHBondContact CH2-O 3.32Å; V638-F682 HydrophobicContact CB-CD1 4.34Å; V638-F682 HydrophobicContact CB-CE1 4.14Å; V638-F682 HydrophobicContact CB-CZ 4.3Å; V638-F682 HydrophobicContact CG1-CD1 4.26Å; V638-F682 HydrophobicContact CG1-CE1 3.74Å; V638-F682 HydrophobicContact CG1-CZ 4.11Å; V638-F682 WeakPolarHBondContact O-CA 3.37Å; Y672-F682 AromaticContact CD1-CE1 3.83Å; Y672-F682 HydrophobicContact CD1-CE1 3.83Å; Y672-F682 HydrophobicContact CD1-CZ 4.05Å; Y672-F682 AromaticContact CD2-CD1 3.86Å; Y672-F682 HydrophobicContact CD2-CD1 3.86Å; Y672-F682 AromaticContact CD2-CE1 3.41Å; Y672-F682 HydrophobicContact CD2-CE1 3.41Å; Y672-F682 VanDerWaalsContact CD2-CE1 3.41Å; Y672-F682 HydrophobicContact CD2-CZ 4.13Å; Y672-F682 HydrophobicContact CE1-CE1 4.17Å; Y672-F682 HydrophobicContact CE2-CD1 4.17Å; Y672-F682 AromaticContact CE2-CE1 3.79Å; Y672-F682 HydrophobicContact CE2-CE1 3.79Å; Y672-F682 HydrophobicContact CG-CD1 4.3Å; Y672-F682 AromaticContact CG-CE1 3.43Å; Y672-F682 HydrophobicContact CG-CE1 3.43Å; Y672-F682 VanDerWaalsContact CG-CE1 3.43Å; Y672-F682 AromaticContact CG-CZ 3.71Å; Y672-F682 HydrophobicContact CG-CZ 3.71Å; Y672-F682 WeakPolarHBondContact O-CE2 3.43Å; I675-F682 HydrophobicContact CB-CE2 4Å; I675-F682 HydrophobicContact CB-CZ 3.85Å; I675-F682 HydrophobicContact CD1-CZ 4.34Å; I675-F682 HydrophobicContact CG2-CE2 3.65Å; I675-F682 HydrophobicContact CG2-CZ 3.61Å; H676-F682 HydrophobicContact CB-CD2 4.4Å; H676-F682 HydrophobicContact CB-CE2 4.15Å; F682-Y684 HydrophobicContact CB-CE2 4.06Å; F682-P711 HydrophobicContact CB-CG 4.2Å; F682-P711 HydrophobicContact CD1-CG 4.28Å; F682-P711 HydrophobicContact CD2-CB 4.07Å; F682-P711 HydrophobicContact CD2-CG 3.35Å; F682-P711 HydrophobicContact CE2-CG 3.71Å; F682-P711 HydrophobicContact CG-CG 3.66Å; F682-P711 HydrophobicContact CZ-CG 4.33Å; F682-G713 VanDerWaalsContact O-CA 3.29Å; F682-G713 WeakPolarHBondContact O-CA 3.41Å
683	L	97.9	Very high	91.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	114.8	174.2	-177.3	66.7	0	0	0	109	V637 V638 I639 S640 P714 L716 L743 I746 F757	V637-L683 HydrophobicContact CG1-CB 3.58Å; V637-L683 HydrophobicContact CG1-CD2 4.23Å; V638-L683 PolarHBondContact O-N 3.11Å; I639-L683 CarbonylContact C-O 3.6Å; I639-L683 WeakPolarHBondContact CA-O 3.49Å; I639-L683 HydrophobicContact CG1-CD2 4.49Å; S640-L683 PolarHBondContact N-O 3.48Å; L683-P714 HydrophobicContact CD1-CB 4.37Å; L683-P714 HydrophobicContact CD1-CG 3.77Å; L683-L716 HydrophobicContact CD1-CD1 3.81Å; L683-L716 HydrophobicContact CD1-CD2 4.48Å; L683-L716 HydrophobicContact CD1-CG 3.95Å; L683-L716 HydrophobicContact CD2-CD1 3.98Å; L683-L716 HydrophobicContact CG-CD1 4Å; L683-L743 HydrophobicContact CD2-CD2 3.99Å; L683-I746 HydrophobicContact CD2-CG1 4.45Å; L683-I746 HydrophobicContact CD2-CG2 4Å; L683-F757 HydrophobicContact CD2-CE1 3.88Å
684	Y	97.2	Very high	90.9	Very high	5 Å²	5	26.8 Å²	26.8	2%	0.02	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	138.5	179.2	-59	-76.6	0	0	0	109.9	S640 I646 Y672 F682 L700 P711 P714 I715 L716	S640-Y684 WeakPolarHBondContact O-CA 3.3Å; I646-Y684 HydrophobicContact CD1-CD1 3.83Å; I646-Y684 HydrophobicContact CD1-CE1 3.8Å; Y672-Y684 HydrophobicContact CE2-CE1 4.41Å; F682-Y684 HydrophobicContact CB-CE2 4.06Å; Y684-L700 HydrophobicContact CD1-CD1 4.49Å; Y684-L700 HydrophobicContact CD2-CD1 4.45Å; Y684-L700 HydrophobicContact CG-CD1 4.2Å; Y684-P711 WeakPolarHBondContact CE2-O 3.36Å; Y684-P711 PolarHBondContact OH-O 2.93Å; Y684-P714 PolarHBondContact N-O 2.82Å; Y684-I715 HydrophobicContact CD2-CG1 4.14Å; Y684-I715 HydrophobicContact CG-CG1 4.38Å; Y684-L716 PolarHBondContact O-N 3.46Å
685	C	92.2	Very high	90.3	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.014	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	139.6	179.6	-173.8	0	0	0	0	110.3	S640 D641 I642 L716	S640-C685 PolarHBondContact O-N 3.31Å; D641-C685 WeakPolarHBondContact CA-O 3.39Å; I642-C685 PolarHBondContact N-O 3.4Å; C685-L716 WeakPolarHBondContact CA-O 3.44Å; C685-L716 HydrophobicContact CB-CB 4.43Å
686	S	87.4	Confident	89.9	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	154.4	172.2	166	0	0	0	0	111	D643 R688 L716 F738	D643-S686 WeakPolarHBondContact OD2-CB 3.17Å; D643-S686 PolarHBondContact OD2-OG 3.04Å; S686-R688 VanDerWaalsContact C-N 3.25Å; S686-R688 PolarHBondContact O-N 3.39Å; S686-R688 WeakPolarHBondContact OG-CB 3.35Å; S686-R688 VanDerWaalsContact OG-CD 3.28Å; S686-R688 WeakPolarHBondContact OG-CD 3.4Å; S686-R688 WeakPolarHBondContact OG-CG 3.5Å; S686-R688 PolarHBondContact OG-N 3.14Å; S686-R688 VanDerWaalsContact OG-N 3.12Å; S686-L716 PolarHBondContact N-O 3.3Å; S686-F738 WeakPolarHBondContact O-CE1 3.46Å
687	A	81.8	Confident	89.5	Confident	36 Å²	36	23.7 Å²	23.7	30%	0.298	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-7.3	174.6	0	0	0	0	0	113.8	S718	A687-S718 WeakPolarHBondContact O-CB 3.25Å
688	R	83.1	Confident	89.2	Confident	13 Å²	13	19.7 Å²	19.7	5%	0.049	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	146.7	176.6	-70.1	162.7	-173.6	-134.6	-4.9	111.9	D643 G653 S686 T696 L717 S718	D643-R688 IonicContact OD1-CZ 3.77Å; D643-R688 VanDerWaalsContact OD1-CZ 3.28Å; D643-R688 IonicContact OD1-NE 2.66Å; D643-R688 PolarHBondContact OD1-NE 3.43Å; D643-R688 IonicContact OD1-NH2 3.94Å; D643-R688 PolarHBondContact OD1-NH2 3.48Å; D643-R688 IonicContact OD2-CZ 3.99Å; D643-R688 IonicContact OD2-NE 3.92Å; D643-R688 PolarHBondContact OD2-NE 3.38Å; D643-R688 IonicContact OD2-NH2 3.32Å; G653-R688 PolarHBondContact O-NH2 3.23Å; S686-R688 VanDerWaalsContact C-N 3.25Å; S686-R688 PolarHBondContact O-N 3.39Å; S686-R688 WeakPolarHBondContact OG-CB 3.35Å; S686-R688 VanDerWaalsContact OG-CD 3.28Å; S686-R688 WeakPolarHBondContact OG-CD 3.4Å; S686-R688 WeakPolarHBondContact OG-CG 3.5Å; S686-R688 PolarHBondContact OG-N 3.14Å; S686-R688 VanDerWaalsContact OG-N 3.12Å; R688-T696 WeakPolarHBondContact CD-OG1 3.24Å; R688-T696 PolarHBondContact NH1-OG1 3.41Å; R688-L717 HydrophobicContact CB-CD2 4.1Å; R688-S718 WeakPolarHBondContact O-CB 3.38Å; R688-S718 PolarHBondContact O-N 2.82Å
689	A	82.1	Confident	88.7	Confident	2 Å²	2	19.5 Å²	19.5	2%	0.017	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	153.6	175.8	0	0	0	0	0	113	G691 M692 S718 L722 A725	A689-G691 PolarHBondContact O-N 2.96Å; A689-G691 VanDerWaalsContact O-N 3.12Å; A689-M692 WeakPolarHBondContact O-CB 3.39Å; A689-M692 PolarHBondContact O-N 2.83Å; A689-S718 CarbonylContact C-O 3.55Å; A689-L722 HydrophobicContact CB-CD2 3.71Å; A689-L722 HydrophobicContact CB-CG 3.98Å; A689-A725 HydrophobicContact CB-CB 3.77Å
690	I	84.4	Confident	88.5	Confident	3 Å²	3	19 Å²	19	2%	0.015	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-49.7	-35.2	175	-174.1	169.7	0	0	0	114.3	G29 I31 H49 R51 M692 A693 S718	G29-I690 WeakPolarHBondContact O-CD1 3.4Å; I31-I690 HydrophobicContact CD1-CB 4.32Å; I31-I690 HydrophobicContact CD1-CD1 4.33Å; I31-I690 HydrophobicContact CD1-CG1 4.36Å; I31-I690 HydrophobicContact CG1-CB 4.25Å; I31-I690 HydrophobicContact CG1-CD1 3.87Å; I31-I690 HydrophobicContact CG1-CG1 3.81Å; H49-I690 HydrophobicContact CB-CD1 4.24Å; H49-I690 VanDerWaalsContact O-CD1 3.32Å; H49-I690 WeakPolarHBondContact O-CD1 3.46Å; R51-I690 HydrophobicContact CB-CD1 3.97Å; R51-I690 HydrophobicContact CB-CG2 4.27Å; I690-M692 PolarHBondContact O-N 3.5Å; I690-A693 WeakPolarHBondContact O-CB 3.44Å; I690-A693 PolarHBondContact O-N 3.42Å; I690-S718 PolarHBondContact N-O 3.14Å
691	G	80.7	Confident	88.1	Confident	13 Å²	13	26.5 Å²	26.5	13%	0.134	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-67.3	-2.5	176.1	0	0	0	0	0	115.1	A689	A689-G691 PolarHBondContact O-N 2.96Å; A689-G691 VanDerWaalsContact O-N 3.12Å
692	M	80.4	Confident	87.6	Confident	20 Å²	20	31.7 Å²	31.7	10%	0.099	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-109.9	10.3	173.5	-54.2	-59.3	-64.7	0	0	112.4	A689 I690 L695 T696 L722	A689-M692 WeakPolarHBondContact O-CB 3.39Å; A689-M692 PolarHBondContact O-N 2.83Å; I690-M692 PolarHBondContact O-N 3.5Å; M692-L695 HydrophobicContact CE-CD2 3.56Å; M692-L695 PolarHBondContact O-N 2.93Å; M692-T696 WeakPolarHBondContact O-CB 3.32Å; M692-T696 PolarHBondContact O-N 2.9Å; M692-T696 VanDerWaalsContact O-N 3.07Å; M692-T696 PolarHBondContact O-OG1 3.27Å; M692-L722 HydrophobicContact CG-CD2 4.09Å; M692-L722 HydrophobicContact SD-CD1 4.48Å; M692-L722 HydrophobicContact SD-CD2 4.38Å
693	A	87.3	Confident	87.1	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-59.5	-54.6	-175.2	0	0	0	0	0	112.4	G30 I690 L695 T696 K697 L717	G30-A693 WeakPolarHBondContact O-CB 3.49Å; I690-A693 WeakPolarHBondContact O-CB 3.44Å; I690-A693 PolarHBondContact O-N 3.42Å; A693-L695 VanDerWaalsContact C-N 3.29Å; A693-L695 PolarHBondContact O-N 3.49Å; A693-T696 PolarHBondContact O-N 3.47Å; A693-K697 WeakPolarHBondContact O-CB 3.42Å; A693-K697 WeakPolarHBondContact O-CG 3.48Å; A693-K697 PolarHBondContact O-N 3.08Å; A693-L717 HydrophobicContact CB-CD1 3.57Å
694	D	87.1	Confident	86.5	Confident	84 Å²	84	35.1 Å²	35.1	45%	0.449	19%	0.188	S	C	.	.	H	α-helix	trans	-61.4	-38	-177	-63.2	-9.7	0	0	0	112.1	T696 G698	D694-T696 VanDerWaalsContact C-N 3.33Å; D694-T696 PolarHBondContact O-N 3.24Å; D694-G698 PolarHBondContact O-N 3.28Å
695	L	83.9	Confident	86	Confident	74 Å²	74	36.5 Å²	36.5	39%	0.387	20%	0.195	S	C	.	.	H	α-helix	trans	-66.3	-36.3	176	-159.8	74.6	0	0	0	112.1	P657 M692 A693 Y699	P657-L695 HydrophobicContact CB-CD1 4.42Å; P657-L695 HydrophobicContact CG-CD1 3.89Å; P657-L695 HydrophobicContact CG-CD2 4.22Å; P657-L695 HydrophobicContact CG-CG 3.96Å; M692-L695 HydrophobicContact CE-CD2 3.56Å; M692-L695 PolarHBondContact O-N 2.93Å; A693-L695 VanDerWaalsContact C-N 3.29Å; A693-L695 PolarHBondContact O-N 3.49Å; L695-Y699 WeakPolarHBondContact O-CB 3.44Å; L695-Y699 PolarHBondContact O-N 3.04Å
696	T	86.9	Confident	85.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-76.7	-38.6	-179.7	-53.4	0	0	0	0	111.2	I642 R688 M692 A693 D694 Y699 L700 I715	I642-T696 HydrophobicContact CD1-CG2 3.62Å; I642-T696 HydrophobicContact CG2-CG2 4.5Å; R688-T696 WeakPolarHBondContact CD-OG1 3.24Å; R688-T696 PolarHBondContact NH1-OG1 3.41Å; M692-T696 WeakPolarHBondContact O-CB 3.32Å; M692-T696 PolarHBondContact O-N 2.9Å; M692-T696 VanDerWaalsContact O-N 3.07Å; M692-T696 PolarHBondContact O-OG1 3.27Å; A693-T696 PolarHBondContact O-N 3.47Å; D694-T696 VanDerWaalsContact C-N 3.33Å; D694-T696 PolarHBondContact O-N 3.24Å; T696-Y699 PolarHBondContact O-N 3.42Å; T696-L700 WeakPolarHBondContact O-CG 3.17Å; T696-L700 PolarHBondContact O-N 2.84Å; T696-L700 VanDerWaalsContact O-N 3.09Å; T696-I715 HydrophobicContact CG2-CG2 4.31Å
697	K	89.4	Confident	85.5	Confident	19 Å²	19	48 Å²	48	8%	0.083	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-51	170.5	-72.3	166.6	-177.3	-176.1	0	111.2	G30 D32 K625 A693 Y699 L700 Q701 I715	G30-K697 PolarHBondContact O-NZ 2.77Å; D32-K697 WeakPolarHBondContact OD1-CE 3.5Å; D32-K697 IonicContact OD1-NZ 2.83Å; D32-K697 PolarHBondContact OD1-NZ 3Å; D32-K697 WeakPolarHBondContact OD2-CE 3.45Å; D32-K697 IonicContact OD2-NZ 2.71Å; K625-K697 PolarHBondContact O-NZ 2.92Å; A693-K697 WeakPolarHBondContact O-CB 3.42Å; A693-K697 WeakPolarHBondContact O-CG 3.48Å; A693-K697 PolarHBondContact O-N 3.08Å; K697-Y699 VanDerWaalsContact C-N 3.32Å; K697-Y699 PolarHBondContact O-N 3.06Å; K697-L700 PolarHBondContact O-N 2.89Å; K697-Q701 VanDerWaalsContact O-CG 3.31Å; K697-Q701 WeakPolarHBondContact O-CG 3.46Å; K697-Q701 PolarHBondContact O-N 2.84Å; K697-I715 HydrophobicContact CB-CD1 4.39Å; K697-I715 HydrophobicContact CG-CD1 3.61Å
698	G	87.1	Confident	85.7	Confident	34 Å²	34	48.1 Å²	48.1	35%	0.351	26%	0.264	S	S	.	.	H	α-helix	trans	-60	-39.1	177.5	0	0	0	0	0	113	D694 W702	D694-G698 PolarHBondContact O-N 3.28Å; G698-W702 WeakPolarHBondContact O-CB 3.3Å; G698-W702 PolarHBondContact O-N 3.29Å
699	Y	86.4	Confident	86.2	Confident	16 Å²	16	49 Å²	49	6%	0.063	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-53.1	172.3	170.4	-112.4	0	0	0	112.1	I642 I646 T647 L656 T664 L695 T696 K697 Q701 W702 V703	I642-Y699 HydrophobicContact CG2-CD1 4.4Å; I642-Y699 HydrophobicContact CG2-CE1 4.3Å; I646-Y699 HydrophobicContact CG2-CE1 4.19Å; T647-Y699 HydrophobicContact CG2-CE1 3.62Å; T647-Y699 WeakPolarHBondContact CG2-OH 3.32Å; L656-Y699 HydrophobicContact CD2-CD2 3.82Å; L656-Y699 HydrophobicContact CD2-CE2 3.26Å; T664-Y699 PolarHBondContact OG1-OH 3.49Å; L695-Y699 WeakPolarHBondContact O-CB 3.44Å; L695-Y699 PolarHBondContact O-N 3.04Å; T696-Y699 PolarHBondContact O-N 3.42Å; K697-Y699 VanDerWaalsContact C-N 3.32Å; K697-Y699 PolarHBondContact O-N 3.06Å; Y699-Q701 VanDerWaalsContact C-N 3.26Å; Y699-Q701 PolarHBondContact O-N 3.49Å; Y699-W702 PolarHBondContact O-N 3Å; Y699-V703 HydrophobicContact CD1-CG2 4.45Å; Y699-V703 HydrophobicContact CD2-CG2 3.96Å; Y699-V703 HydrophobicContact CE1-CG2 3.92Å; Y699-V703 HydrophobicContact CE2-CG2 3.34Å; Y699-V703 HydrophobicContact CG-CG2 4.47Å; Y699-V703 WeakPolarHBondContact O-CG2 3.05Å; Y699-V703 PolarHBondContact O-N 2.67Å
700	L	90.6	Very high	86.8	Confident	14 Å²	14	50 Å²	50	7%	0.073	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-31.6	-177.8	-70.1	172.9	0	0	0	113.1	I642 I646 Y684 T696 K697 L710 I715	I642-L700 HydrophobicContact CD1-CD1 3.87Å; I642-L700 HydrophobicContact CG1-CD1 4.35Å; I642-L700 HydrophobicContact CG2-CD2 4.28Å; I646-L700 HydrophobicContact CD1-CD2 3.66Å; I646-L700 HydrophobicContact CG2-CD2 4.4Å; Y684-L700 HydrophobicContact CD1-CD1 4.49Å; Y684-L700 HydrophobicContact CD2-CD1 4.45Å; Y684-L700 HydrophobicContact CG-CD1 4.2Å; T696-L700 WeakPolarHBondContact O-CG 3.17Å; T696-L700 PolarHBondContact O-N 2.84Å; T696-L700 VanDerWaalsContact O-N 3.09Å; K697-L700 PolarHBondContact O-N 2.89Å; L700-L710 HydrophobicContact CD2-CD1 3.6Å; L700-I715 HydrophobicContact CD1-CD1 3.61Å; L700-I715 HydrophobicContact CD1-CG1 3.73Å
701	Q	88.4	Confident	87.4	Confident	166 Å²	166	50.3 Å²	50.3	78%	0.776	29%	0.285	S	S	*	.	H	α-helix	trans	-71.3	-29.6	172.5	-70.5	173	1.9	0	0	113.2	K697 Y699	K697-Q701 VanDerWaalsContact O-CG 3.31Å; K697-Q701 WeakPolarHBondContact O-CG 3.46Å; K697-Q701 PolarHBondContact O-N 2.84Å; Y699-Q701 VanDerWaalsContact C-N 3.26Å; Y699-Q701 PolarHBondContact O-N 3.49Å
702	W	86.1	Confident	88.1	Confident	162 Å²	162	57.7 Å²	57.7	61%	0.614	31%	0.313	S	S	*	.	H	α-helix	trans	-83.2	-25.6	179.9	-171.7	86.4	0	0	0	113.2	D662 G698 Y699 S704	D662-W702 VanDerWaalsContact OD1-CH2 3.28Å; D662-W702 WeakPolarHBondContact OD1-CH2 3.45Å; D662-W702 WeakPolarHBondContact OD1-CZ3 3.41Å; G698-W702 WeakPolarHBondContact O-CB 3.3Å; G698-W702 PolarHBondContact O-N 3.29Å; Y699-W702 PolarHBondContact O-N 3Å; W702-S704 PolarHBondContact O-N 2.85Å
703	V	87.9	Confident	88.9	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.024	31%	0.31	C	S	.	.			trans	-62.7	109.9	177.6	172.4	0	0	0	0	111.1	T664 T669 Y699 G709 L710	T664-V703 HydrophobicContact CG2-CG1 3.64Å; T669-V703 HydrophobicContact CG2-CG1 3.76Å; Y699-V703 HydrophobicContact CD1-CG2 4.45Å; Y699-V703 HydrophobicContact CD2-CG2 3.96Å; Y699-V703 HydrophobicContact CE1-CG2 3.92Å; Y699-V703 HydrophobicContact CE2-CG2 3.34Å; Y699-V703 HydrophobicContact CG-CG2 4.47Å; Y699-V703 WeakPolarHBondContact O-CG2 3.05Å; Y699-V703 PolarHBondContact O-N 2.67Å; V703-G709 WeakPolarHBondContact O-CA 3.44Å; V703-L710 HydrophobicContact CB-CD1 3.9Å; V703-L710 HydrophobicContact CB-CG 4.29Å; V703-L710 HydrophobicContact CG1-CD1 3.8Å; V703-L710 HydrophobicContact CG1-CG 3.9Å; V703-L710 HydrophobicContact CG2-CD1 4.46Å
704	S	86.7	Confident	89.3	Confident	69 Å²	69	56.9 Å²	56.9	48%	0.483	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	138.7	170.8	-174	0	0	0	0	110.1	W702 C708	W702-S704 PolarHBondContact O-N 2.85Å; S704-C708 WeakPolarHBondContact CA-O 3.45Å
705	E	86.2	Confident	89.7	Confident	34 Å²	34	53.4 Å²	53.4	16%	0.159	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	123.6	176.9	-169.8	-169.4	159.9	0	0	108	Q666 G667 T669 G707 C708	Q666-E705 WeakPolarHBondContact CG-OE1 3.11Å; G667-E705 PolarHBondContact N-OE1 3.28Å; G667-E705 PolarHBondContact N-OE2 3.08Å; T669-E705 HydrophobicContact CG2-CB 4.03Å; T669-E705 WeakPolarHBondContact OG1-CB 3.17Å; E705-G707 PolarHBondContact O-N 3.26Å; E705-C708 PolarHBondContact N-O 3.42Å; E705-C708 PolarHBondContact O-N 3.23Å
706	H	85.1	Confident	90.1	Very high	176 Å²	176	50.1 Å²	50.1	82%	0.815	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	24.8	-175.4	-59.6	-64.5	0	0	0	115.2
707	G	83.8	Confident	90.3	Very high	67 Å²	67	50.3 Å²	50.3	69%	0.691	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.9	-12.3	-176.9	0	0	0	0	0	114.6	E705	E705-G707 PolarHBondContact O-N 3.26Å
708	C	86.8	Confident	89.9	Confident	39 Å²	39	49.8 Å²	49.8	26%	0.264	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	114.6	171.6	-65.7	0	0	0	0	110.1	T669 S704 E705	T669-C708 WeakPolarHBondContact CB-O 3.28Å; T669-C708 PolarHBondContact OG1-O 2.7Å; S704-C708 WeakPolarHBondContact CA-O 3.45Å; E705-C708 PolarHBondContact N-O 3.42Å; E705-C708 PolarHBondContact O-N 3.23Å
709	G	92	Very high	89.3	Confident	31 Å²	31	50.4 Å²	50.4	32%	0.32	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	171.7	167.1	0	0	0	0	0	112.9	V703	V703-G709 WeakPolarHBondContact O-CA 3.44Å
710	L	95.6	Very high	88.5	Confident	25 Å²	25	51 Å²	51	13%	0.131	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-72.5	144.9	171.1	-66.2	172.2	0	0	0	111.4	I646 T669 Y672 L700 V703	I646-L710 HydrophobicContact CD1-CD1 4.24Å; I646-L710 HydrophobicContact CG2-CD1 3.98Å; T669-L710 HydrophobicContact CG2-CD2 3.97Å; T669-L710 HydrophobicContact CG2-CG 4.23Å; Y672-L710 HydrophobicContact CD2-CD2 3.88Å; Y672-L710 HydrophobicContact CG-CD2 4.49Å; L700-L710 HydrophobicContact CD2-CD1 3.6Å; V703-L710 HydrophobicContact CB-CD1 3.9Å; V703-L710 HydrophobicContact CB-CG 4.29Å; V703-L710 HydrophobicContact CG1-CD1 3.8Å; V703-L710 HydrophobicContact CG1-CG 3.9Å; V703-L710 HydrophobicContact CG2-CD1 4.46Å
711	P	96.3	Very high	86.9	Confident	9 Å²	9	51.4 Å²	51.4	6%	0.058	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-67.7	142.6	175.9	28.1	-34	0	0	0	111.5	H676 F682 Y684	H676-P711 HydrophobicContact CB-CB 3.73Å; H676-P711 HydrophobicContact CB-CG 4.14Å; F682-P711 HydrophobicContact CB-CG 4.2Å; F682-P711 HydrophobicContact CD1-CG 4.28Å; F682-P711 HydrophobicContact CD2-CB 4.07Å; F682-P711 HydrophobicContact CD2-CG 3.35Å; F682-P711 HydrophobicContact CE2-CG 3.71Å; F682-P711 HydrophobicContact CG-CG 3.66Å; F682-P711 HydrophobicContact CZ-CG 4.33Å; Y684-P711 WeakPolarHBondContact CE2-O 3.36Å; Y684-P711 PolarHBondContact OH-O 2.93Å
712	K	95.6	Very high	85.1	Confident	168 Å²	168	45.6 Å²	45.6	73%	0.73	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-64.1	143	177.2	-68.6	-170.4	178.4	-172.9	0	111.1	Y629	Y629-K712 HydrophobicContact CE1-CB 4.48Å
713	G	96.8	Very high	83.1	Confident	3 Å²	3	44.6 Å²	44.6	3%	0.031	26%	0.256	C	S	.	.			trans	-175.7	157	178.3	0	0	0	0	0	111.7	Y629 F682	Y629-G713 PolarHBondContact OH-N 3.21Å; Y629-G713 PolarHBondContact OH-O 3.26Å; F682-G713 VanDerWaalsContact O-CA 3.29Å; F682-G713 WeakPolarHBondContact O-CA 3.41Å
714	P	97.1	Very high	81.3	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.276	C	S	.	.			trans	-64.6	141.7	-179.6	18.2	-22.9	0	0	0	111.9	D32 Y629 W631 L683 Y684	D32-P714 HydrophobicContact CB-CB 3.88Å; Y629-P714 HydrophobicContact CD2-CB 3.56Å; Y629-P714 HydrophobicContact CD2-CG 3.87Å; Y629-P714 VanDerWaalsContact CE2-CA 3.47Å; Y629-P714 HydrophobicContact CE2-CB 3.88Å; Y629-P714 HydrophobicContact CE2-CG 4.38Å; Y629-P714 HydrophobicContact CG-CB 4.24Å; Y629-P714 HydrophobicContact CG-CG 4.04Å; W631-P714 HydrophobicContact CH2-CG 3.86Å; W631-P714 HydrophobicContact CZ2-CG 3.97Å; L683-P714 HydrophobicContact CD1-CB 4.37Å; L683-P714 HydrophobicContact CD1-CG 3.77Å; Y684-P714 PolarHBondContact N-O 2.82Å
715	I	95.3	Very high	79.6	Confident	11 Å²	11	44.6 Å²	44.6	6%	0.056	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	107.3	-179	-62.9	149.9	0	0	0	109.6	I31 D32 I642 Y684 T696 K697 L700 L717	I31-I715 WeakPolarHBondContact CG2-O 3.41Å; D32-I715 PolarHBondContact OD2-N 2.82Å; D32-I715 VanDerWaalsContact OD2-N 3.08Å; I642-I715 HydrophobicContact CD1-CG2 4.02Å; Y684-I715 HydrophobicContact CD2-CG1 4.14Å; Y684-I715 HydrophobicContact CG-CG1 4.38Å; T696-I715 HydrophobicContact CG2-CG2 4.31Å; K697-I715 HydrophobicContact CB-CD1 4.39Å; K697-I715 HydrophobicContact CG-CD1 3.61Å; L700-I715 HydrophobicContact CD1-CD1 3.61Å; L700-I715 HydrophobicContact CD1-CG1 3.73Å; I715-L717 HydrophobicContact CG2-CD1 4.36Å; I715-L717 HydrophobicContact CG2-CD2 3.97Å; I715-L717 HydrophobicContact CG2-CG 4.05Å
716	L	92.3	Very high	77.8	Confident	6 Å²	6	46.9 Å²	46.9	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	130.8	177.6	-54.9	178.5	0	0	0	110.8	L683 Y684 C685 S686 I746	L683-L716 HydrophobicContact CD1-CD1 3.81Å; L683-L716 HydrophobicContact CD1-CD2 4.48Å; L683-L716 HydrophobicContact CD1-CG 3.95Å; L683-L716 HydrophobicContact CD2-CD1 3.98Å; L683-L716 HydrophobicContact CG-CD1 4Å; Y684-L716 PolarHBondContact O-N 3.46Å; C685-L716 WeakPolarHBondContact CA-O 3.44Å; C685-L716 HydrophobicContact CB-CB 4.43Å; S686-L716 PolarHBondContact N-O 3.3Å; L716-I746 HydrophobicContact CD1-CD1 4.43Å; L716-I746 HydrophobicContact CD1-CG1 3.89Å; L716-I746 HydrophobicContact CD2-CD1 4.31Å
717	L	90	Very high	75.9	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.016	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	165.4	-174.1	-60.8	172.3	0	0	0	110.4	I31 R688 A693 I715 P719 F738	I31-L717 HydrophobicContact CD1-CB 3.93Å; I31-L717 VanDerWaalsContact CD1-O 3.29Å; I31-L717 WeakPolarHBondContact CD1-O 3.46Å; I31-L717 HydrophobicContact CG1-CB 4.21Å; R688-L717 HydrophobicContact CB-CD2 4.1Å; A693-L717 HydrophobicContact CB-CD1 3.57Å; I715-L717 HydrophobicContact CG2-CD1 4.36Å; I715-L717 HydrophobicContact CG2-CD2 3.97Å; I715-L717 HydrophobicContact CG2-CG 4.05Å; L717-P719 WeakPolarHBondContact O-CD 3.23Å; L717-F738 VanDerWaalsContact C-CZ 3.41Å; L717-F738 WeakPolarHBondContact O-CZ 3.29Å
718	S	83	Confident	74.5	Confident	8 Å²	8	43 Å²	43	6%	0.056	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	120.4	171.5	-174.4	0	0	0	0	109.9	A687 R688 A689 I690 S720	A687-S718 WeakPolarHBondContact O-CB 3.25Å; R688-S718 WeakPolarHBondContact O-CB 3.38Å; R688-S718 PolarHBondContact O-N 2.82Å; A689-S718 CarbonylContact C-O 3.55Å; I690-S718 PolarHBondContact N-O 3.14Å; S718-S720 PolarHBondContact O-N 3.48Å; S718-S720 VanDerWaalsContact O-N 3.13Å; S718-S720 PolarHBondContact OG-OG 3.48Å
719	P	74.4	Confident	72.7	Confident	47 Å²	47	45.3 Å²	45.3	31%	0.305	24%	0.238	S	C	.	.			trans	-70.8	-6.6	179.6	30.5	-36.7	0	0	0	113.4	I31 H49 L717	I31-P719 HydrophobicContact CD1-CB 4.13Å; H49-P719 HydrophobicContact CB-CB 4.14Å; L717-P719 WeakPolarHBondContact O-CD 3.23Å
720	S	68.8	Low	70.6	Confident	29 Å²	29	47.8 Å²	47.8	20%	0.203	25%	0.247	C	C	.	.	S	Bend	trans	-76.3	151.8	-178.2	73.1	0	0	0	0	112.2	S718 A725	S718-S720 PolarHBondContact O-N 3.48Å; S718-S720 VanDerWaalsContact O-N 3.13Å; S718-S720 PolarHBondContact OG-OG 3.48Å; S720-A725 WeakPolarHBondContact OG-CA 3.37Å; S720-A725 WeakPolarHBondContact OG-CB 3.29Å; S720-A725 PolarHBondContact OG-N 2.73Å
721	S	56.7	Low	67.7	Low	23 Å²	23	51.9 Å²	51.9	16%	0.161	27%	0.267	C	S	.	.			trans	-60.2	155.1	173.6	-177.6	0	0	0	0	110.8	F723 S724 A725	S721-F723 PolarHBondContact O-N 3.5Å; S721-F723 VanDerWaalsContact O-N 3.1Å; S721-S724 CarbonylContact O-C 3.44Å; S721-S724 WeakPolarHBondContact O-CA 3.48Å; S721-S724 WeakPolarHBondContact O-CB 3.47Å; S721-S724 PolarHBondContact O-N 3.11Å; S721-A725 PolarHBondContact O-N 3.32Å
722	L	51.5	Low	65.5	Low	43 Å²	43	56.1 Å²	56.1	23%	0.225	29%	0.287	C	S	.	.	H	α-helix	trans	-48.6	-41.7	-179.8	-88.9	171.7	0	0	0	113.7	L27 A689 M692 A725 L726	L27-L722 HydrophobicContact CD1-CD1 3.41Å; L27-L722 VanDerWaalsContact CD1-CD1 3.41Å; A689-L722 HydrophobicContact CB-CD2 3.71Å; A689-L722 HydrophobicContact CB-CG 3.98Å; M692-L722 HydrophobicContact CG-CD2 4.09Å; M692-L722 HydrophobicContact SD-CD1 4.48Å; M692-L722 HydrophobicContact SD-CD2 4.38Å; L722-A725 PolarHBondContact O-N 3.27Å; L722-L726 VanDerWaalsContact O-CB 3.23Å; L722-L726 WeakPolarHBondContact O-CB 3.26Å; L722-L726 PolarHBondContact O-N 2.75Å
723	F	44.1	Very low	63.4	Low	141 Å²	141	55.3 Å²	55.3	62%	0.618	28%	0.283	S	S	*	.	H	α-helix	trans	-68.2	-37	176.7	-75	-63.3	0	0	0	113.2	P24 S721 H727	P24-F723 HydrophobicContact CB-CD2 4.01Å; P24-F723 HydrophobicContact CB-CE2 3.57Å; P24-F723 HydrophobicContact CB-CZ 4.35Å; P24-F723 HydrophobicContact CG-CD2 4.4Å; P24-F723 HydrophobicContact CG-CE2 3.57Å; P24-F723 HydrophobicContact CG-CZ 3.85Å; S721-F723 PolarHBondContact O-N 3.5Å; S721-F723 VanDerWaalsContact O-N 3.1Å; F723-H727 VanDerWaalsContact O-CB 3.26Å; F723-H727 WeakPolarHBondContact O-CB 3.34Å; F723-H727 PolarHBondContact O-N 2.79Å
724	S	49.9	Very low	61.7	Low	62 Å²	62	60.8 Å²	60.8	43%	0.434	31%	0.306	S	S	.	.	H	α-helix	trans	-71.1	-37.2	175.3	-53.4	0	0	0	0	111.9	S721 H727 R728	S721-S724 CarbonylContact O-C 3.44Å; S721-S724 WeakPolarHBondContact O-CA 3.48Å; S721-S724 WeakPolarHBondContact O-CB 3.47Å; S721-S724 PolarHBondContact O-N 3.11Å; S724-H727 PolarHBondContact O-N 3.02Å; S724-R728 WeakPolarHBondContact O-CB 3.43Å; S724-R728 PolarHBondContact O-N 3.1Å
725	A	50.8	Low	60.1	Low	11 Å²	11	62 Å²	62	9%	0.091	31%	0.314	C	S	.	.	H	α-helix	trans	-66.1	-46.1	173.8	0	0	0	0	0	111	A689 S720 S721 L722 H727 R728 E729	A689-A725 HydrophobicContact CB-CB 3.77Å; S720-A725 WeakPolarHBondContact OG-CA 3.37Å; S720-A725 WeakPolarHBondContact OG-CB 3.29Å; S720-A725 PolarHBondContact OG-N 2.73Å; S721-A725 PolarHBondContact O-N 3.32Å; L722-A725 PolarHBondContact O-N 3.27Å; A725-H727 VanDerWaalsContact C-N 3.34Å; A725-H727 PolarHBondContact O-N 3.43Å; A725-R728 PolarHBondContact O-N 2.78Å; A725-R728 VanDerWaalsContact O-N 3.15Å; A725-E729 WeakPolarHBondContact O-CB 3.3Å; A725-E729 PolarHBondContact O-N 2.91Å
726	L	48.1	Very low	59.1	Low	82 Å²	82	62.6 Å²	62.6	43%	0.429	32%	0.316	S	S	.	.	H	α-helix	trans	-62	-40.4	174.2	-167.8	81.8	0	0	0	111.4	L722 R728 E729 V730	L722-L726 VanDerWaalsContact O-CB 3.23Å; L722-L726 WeakPolarHBondContact O-CB 3.26Å; L722-L726 PolarHBondContact O-N 2.75Å; L726-R728 VanDerWaalsContact C-N 3.34Å; L726-E729 PolarHBondContact O-N 2.87Å; L726-V730 HydrophobicContact CD1-CG2 4.07Å; L726-V730 HydrophobicContact CG-CG2 4.12Å; L726-V730 VanDerWaalsContact O-CB 3.23Å; L726-V730 WeakPolarHBondContact O-CB 3.48Å; L726-V730 VanDerWaalsContact O-CG2 3.32Å; L726-V730 WeakPolarHBondContact O-CG2 3.31Å; L726-V730 PolarHBondContact O-N 2.88Å
727	H	45.6	Very low	58.3	Low	87 Å²	87	65.6 Å²	65.6	40%	0.403	34%	0.335	S	S	.	.	H	α-helix	trans	-61.3	-43.2	172.8	-171.5	-86	0	0	0	111.2	F723 S724 A725 I731 E732	F723-H727 VanDerWaalsContact O-CB 3.26Å; F723-H727 WeakPolarHBondContact O-CB 3.34Å; F723-H727 PolarHBondContact O-N 2.79Å; S724-H727 PolarHBondContact O-N 3.02Å; A725-H727 VanDerWaalsContact C-N 3.34Å; A725-H727 PolarHBondContact O-N 3.43Å; H727-I731 VanDerWaalsContact CD2-CD1 3.42Å; H727-I731 WeakPolarHBondContact CD2-CD1 3.38Å; H727-I731 CarbonylContact O-C 3.58Å; H727-I731 VanDerWaalsContact O-CA 3.29Å; H727-I731 WeakPolarHBondContact O-CA 3.46Å; H727-I731 VanDerWaalsContact O-CB 3.26Å; H727-I731 WeakPolarHBondContact O-CB 3.4Å; H727-I731 PolarHBondContact O-N 2.77Å; H727-E732 IonicContact CE1-OE1 2.7Å; H727-E732 IonicContact ND1-OE1 3.1Å; H727-E732 PolarHBondContact ND1-OE1 2.92Å; H727-E732 PolarHBondContact O-N 2.94Å
728	R	53	Low	57.7	Low	74 Å²	74	66.5 Å²	66.5	28%	0.279	34%	0.338	S	S	.	.	I	π-helix	trans	-67.2	-39.3	178	-177.1	152	177.9	163.9	-2.7	113.4	S724 A725 L726 E732 K733 F738	S724-R728 WeakPolarHBondContact O-CB 3.43Å; S724-R728 PolarHBondContact O-N 3.1Å; A725-R728 PolarHBondContact O-N 2.78Å; A725-R728 VanDerWaalsContact O-N 3.15Å; L726-R728 VanDerWaalsContact C-N 3.34Å; R728-E732 WeakPolarHBondContact CD-OE2 3.45Å; R728-E732 HydrophobicContact CG-CB 4.41Å; R728-E732 VanDerWaalsContact CG-OE2 3.27Å; R728-E732 WeakPolarHBondContact CG-OE2 3.49Å; R728-E732 IonicContact NE-OE2 3.64Å; R728-E732 WeakPolarHBondContact O-CB 3.36Å; R728-K733 PolarHBondContact O-N 3.43Å; R728-F738 VanDerWaalsContact NH2-N 3.17Å
729	E	49	Very low	57.9	Low	88 Å²	88	66.4 Å²	66.4	41%	0.411	34%	0.337	S	S	.	.	I	π-helix	trans	-72.1	-48.3	177.1	-174.9	171.9	-161.5	0	0	112.2	A725 L726	A725-E729 WeakPolarHBondContact O-CB 3.3Å; A725-E729 PolarHBondContact O-N 2.91Å; L726-E729 PolarHBondContact O-N 2.87Å
730	V	48.6	Very low	58.7	Low	84 Å²	84	65.7 Å²	65.7	51%	0.509	33%	0.332	S	S	.	.	I	π-helix	trans	-90	-33.5	-169.4	-177.4	0	0	0	0	113	L726 K733	L726-V730 HydrophobicContact CD1-CG2 4.07Å; L726-V730 HydrophobicContact CG-CG2 4.12Å; L726-V730 VanDerWaalsContact O-CB 3.23Å; L726-V730 WeakPolarHBondContact O-CB 3.48Å; L726-V730 VanDerWaalsContact O-CG2 3.32Å; L726-V730 WeakPolarHBondContact O-CG2 3.31Å; L726-V730 PolarHBondContact O-N 2.88Å; V730-K733 WeakPolarHBondContact O-CE 3.39Å; V730-K733 WeakPolarHBondContact O-CG 3.49Å
731	I	35	Very low	59.6	Low	111 Å²	111	67.1 Å²	67.1	57%	0.569	35%	0.345	S	S	*	.	I	π-helix	trans	-109.9	-46.2	-171.6	-63	165.2	0	0	0	112	H727	H727-I731 VanDerWaalsContact CD2-CD1 3.42Å; H727-I731 WeakPolarHBondContact CD2-CD1 3.38Å; H727-I731 CarbonylContact O-C 3.58Å; H727-I731 VanDerWaalsContact O-CA 3.29Å; H727-I731 WeakPolarHBondContact O-CA 3.46Å; H727-I731 VanDerWaalsContact O-CB 3.26Å; H727-I731 WeakPolarHBondContact O-CB 3.4Å; H727-I731 PolarHBondContact O-N 2.77Å
732	E	49.7	Very low	61.2	Low	98 Å²	98	67.2 Å²	67.2	46%	0.458	35%	0.346	S	S	.	.	I	π-helix	trans	-75.9	-28.5	174.1	-58.4	168.4	-158.3	0	0	112.3	H727 R728 K734	H727-E732 IonicContact CE1-OE1 2.7Å; H727-E732 IonicContact ND1-OE1 3.1Å; H727-E732 PolarHBondContact ND1-OE1 2.92Å; H727-E732 PolarHBondContact O-N 2.94Å; R728-E732 WeakPolarHBondContact CD-OE2 3.45Å; R728-E732 HydrophobicContact CG-CB 4.41Å; R728-E732 VanDerWaalsContact CG-OE2 3.27Å; R728-E732 WeakPolarHBondContact CG-OE2 3.49Å; R728-E732 IonicContact NE-OE2 3.64Å; R728-E732 WeakPolarHBondContact O-CB 3.36Å; E732-K734 VanDerWaalsContact C-N 3.29Å; E732-K734 PolarHBondContact O-N 2.91Å
733	K	51.1	Low	63.2	Low	151 Å²	151	65.1 Å²	65.1	66%	0.657	34%	0.335	S	S	*	.			trans	58.2	30.8	172.7	-60.2	-172.7	175	-170.7	0	115.4	R728 V730	R728-K733 PolarHBondContact O-N 3.43Å; V730-K733 WeakPolarHBondContact O-CE 3.39Å; V730-K733 WeakPolarHBondContact O-CG 3.49Å
734	K	61.1	Low	65.5	Low	118 Å²	118	60.3 Å²	60.3	51%	0.513	32%	0.319	S	S	.	.			trans	-131.2	68.7	-178.2	-68.2	-158.7	179.5	-173.1	0	113.6	E732 E736 V737	E732-K734 VanDerWaalsContact C-N 3.29Å; E732-K734 PolarHBondContact O-N 2.91Å; K734-E736 VanDerWaalsContact CA-OE1 3.31Å; K734-E736 WeakPolarHBondContact CA-OE1 3.35Å; K734-E736 WeakPolarHBondContact CB-OE1 3.5Å; K734-E736 WeakPolarHBondContact CG-OE1 3.35Å; K734-E736 PolarHBondContact O-N 3.04Å; K734-V737 HydrophobicContact CB-CB 4.18Å; K734-V737 HydrophobicContact CB-CG2 3.84Å; K734-V737 HydrophobicContact CD-CG2 3.77Å; K734-V737 HydrophobicContact CG-CG2 4.42Å; K734-V737 PolarHBondContact O-N 2.83Å
735	P	65.1	Low	67.5	Low	25 Å²	25	58.9 Å²	58.9	16%	0.162	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-31.9	173.4	27.1	-35	0	0	0	112.5	V737 F738 K739	P735-V737 VanDerWaalsContact C-N 3.31Å; P735-V737 PolarHBondContact O-N 2.93Å; P735-F738 WeakPolarHBondContact O-CB 3.42Å; P735-F738 PolarHBondContact O-N 2.82Å; P735-F738 VanDerWaalsContact O-N 3.07Å; P735-K739 PolarHBondContact O-N 2.85Å; P735-K739 VanDerWaalsContact O-N 3.12Å
736	E	72.8	Confident	69.6	Low	23 Å²	23	58.5 Å²	58.5	11%	0.107	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-36.5	177.3	68	-65	155.1	0	0	112.6	K734 F738 K739 V740 N766 F769	K734-E736 VanDerWaalsContact CA-OE1 3.31Å; K734-E736 WeakPolarHBondContact CA-OE1 3.35Å; K734-E736 WeakPolarHBondContact CB-OE1 3.5Å; K734-E736 WeakPolarHBondContact CG-OE1 3.35Å; K734-E736 PolarHBondContact O-N 3.04Å; E736-F738 PolarHBondContact O-N 3.04Å; E736-K739 PolarHBondContact O-N 2.84Å; E736-V740 WeakPolarHBondContact O-CB 3.34Å; E736-V740 VanDerWaalsContact O-CG2 3.26Å; E736-V740 WeakPolarHBondContact O-CG2 3.44Å; E736-V740 PolarHBondContact O-N 3.11Å; E736-N766 HydrophobicContact CB-CB 4.14Å; E736-N766 WeakPolarHBondContact CB-O 3.31Å; E736-N766 PolarHBondContact OE2-ND2 3.25Å; E736-F769 HydrophobicContact CB-CD1 4.12Å; E736-F769 HydrophobicContact CG-CD1 4Å; E736-F769 HydrophobicContact CG-CE1 4.28Å
737	V	76	Confident	71.8	Confident	70 Å²	70	56.1 Å²	56.1	42%	0.424	29%	0.289	S	S	.	.	H	α-helix	trans	-65.6	-26.1	176.9	177.7	0	0	0	0	111.6	K734 P735 A741	K734-V737 HydrophobicContact CB-CB 4.18Å; K734-V737 HydrophobicContact CB-CG2 3.84Å; K734-V737 HydrophobicContact CD-CG2 3.77Å; K734-V737 HydrophobicContact CG-CG2 4.42Å; K734-V737 PolarHBondContact O-N 2.83Å; P735-V737 VanDerWaalsContact C-N 3.31Å; P735-V737 PolarHBondContact O-N 2.93Å; V737-A741 WeakPolarHBondContact O-CB 3.12Å; V737-A741 PolarHBondContact O-N 3.06Å
738	F	77.2	Confident	74.1	Confident	21 Å²	21	56.9 Å²	56.9	9%	0.092	29%	0.293	C	S	.	.	H	α-helix	trans	-74.6	-51.5	169.5	168.9	-105.2	0	0	0	111.2	S686 L717 R728 P735 E736 V740 A741 C742	S686-F738 WeakPolarHBondContact O-CE1 3.46Å; L717-F738 VanDerWaalsContact C-CZ 3.41Å; L717-F738 WeakPolarHBondContact O-CZ 3.29Å; R728-F738 VanDerWaalsContact NH2-N 3.17Å; P735-F738 WeakPolarHBondContact O-CB 3.42Å; P735-F738 PolarHBondContact O-N 2.82Å; P735-F738 VanDerWaalsContact O-N 3.07Å; E736-F738 PolarHBondContact O-N 3.04Å; F738-V740 PolarHBondContact O-N 2.66Å; F738-A741 PolarHBondContact O-N 3.15Å; F738-C742 HydrophobicContact CE1-CB 4.5Å; F738-C742 HydrophobicContact CE2-CB 4Å; F738-C742 HydrophobicContact CZ-CB 3.93Å; F738-C742 WeakPolarHBondContact O-CB 3.46Å; F738-C742 PolarHBondContact O-N 3.2Å
739	K	88	Confident	76.1	Confident	7 Å²	7	53.6 Å²	53.6	3%	0.03	28%	0.281	C	S	.	.	H	α-helix	trans	-59.5	-42.9	-178.6	-69.7	-171.5	175	-179.3	0	112.4	D641 P735 E736 C742 L743 D767 A770	D641-K739 VanDerWaalsContact CG-NZ 3.25Å; D641-K739 IonicContact OD1-NZ 3.53Å; D641-K739 IonicContact OD2-NZ 3.82Å; D641-K739 PolarHBondContact OD2-NZ 3.39Å; P735-K739 PolarHBondContact O-N 2.85Å; P735-K739 VanDerWaalsContact O-N 3.12Å; E736-K739 PolarHBondContact O-N 2.84Å; K739-C742 PolarHBondContact O-N 3.49Å; K739-L743 WeakPolarHBondContact O-CB 3.27Å; K739-L743 VanDerWaalsContact O-CG 3.24Å; K739-L743 WeakPolarHBondContact O-CG 3.45Å; K739-L743 PolarHBondContact O-N 3.45Å; K739-D767 IonicContact NZ-OD1 3.33Å; K739-D767 PolarHBondContact NZ-OD1 2.86Å; K739-D767 IonicContact NZ-OD2 2.66Å; K739-A770 HydrophobicContact CB-CB 3.83Å
740	V	90	Very high	78.3	Confident	32 Å²	32	49.6 Å²	49.6	19%	0.194	26%	0.262	C	S	.	.	H	α-helix	trans	-57.6	-53.4	174.5	168.9	0	0	0	0	111.4	E736 F738 C742 L743 S744 F769 A770 Q773	E736-V740 WeakPolarHBondContact O-CB 3.34Å; E736-V740 VanDerWaalsContact O-CG2 3.26Å; E736-V740 WeakPolarHBondContact O-CG2 3.44Å; E736-V740 PolarHBondContact O-N 3.11Å; F738-V740 PolarHBondContact O-N 2.66Å; V740-C742 VanDerWaalsContact C-N 3.34Å; V740-C742 PolarHBondContact O-N 3.31Å; V740-L743 PolarHBondContact O-N 2.92Å; V740-S744 WeakPolarHBondContact O-CB 3.49Å; V740-S744 PolarHBondContact O-N 3.33Å; V740-F769 HydrophobicContact CG2-CE1 4.4Å; V740-A770 HydrophobicContact CG2-CB 3.78Å; V740-Q773 HydrophobicContact CG1-CB 4.42Å; V740-Q773 HydrophobicContact CG1-CG 3.65Å; V740-Q773 HydrophobicContact CG2-CB 3.99Å; V740-Q773 HydrophobicContact CG2-CG 3.99Å
741	A	88.3	Confident	80.2	Confident	59 Å²	59	47.3 Å²	47.3	49%	0.488	25%	0.247	S	C	.	.	H	α-helix	trans	-62.6	-42.4	-177.5	0	0	0	0	0	111.7	V737 F738 D745	V737-A741 WeakPolarHBondContact O-CB 3.12Å; V737-A741 PolarHBondContact O-N 3.06Å; F738-A741 PolarHBondContact O-N 3.15Å; A741-D745 WeakPolarHBondContact O-CB 3.22Å; A741-D745 PolarHBondContact O-N 3.39Å
742	C	89.3	Confident	82.5	Confident	24 Å²	24	46.1 Å²	46.1	16%	0.162	25%	0.246	C	C	.	.	H	α-helix	trans	-68.8	-43.6	-178.6	-162.2	0	0	0	0	112.3	F738 K739 V740 D745 I746	F738-C742 HydrophobicContact CE1-CB 4.5Å; F738-C742 HydrophobicContact CE2-CB 4Å; F738-C742 HydrophobicContact CZ-CB 3.93Å; F738-C742 WeakPolarHBondContact O-CB 3.46Å; F738-C742 PolarHBondContact O-N 3.2Å; K739-C742 PolarHBondContact O-N 3.49Å; V740-C742 VanDerWaalsContact C-N 3.34Å; V740-C742 PolarHBondContact O-N 3.31Å; C742-D745 PolarHBondContact O-N 3.35Å; C742-I746 WeakPolarHBondContact O-CG1 3.08Å; C742-I746 PolarHBondContact O-N 2.96Å
743	L	93.9	Very high	83.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-71.3	-34.2	176.8	-66	171.3	0	0	0	112.5	I639 L683 K739 V740 I746 Q747 F757 Y771 V774	I639-L743 HydrophobicContact CD1-CD1 4.08Å; I639-L743 HydrophobicContact CD1-CD2 3.83Å; I639-L743 HydrophobicContact CG1-CD2 4.18Å; I639-L743 HydrophobicContact CG2-CD2 4.08Å; L683-L743 HydrophobicContact CD2-CD2 3.99Å; K739-L743 WeakPolarHBondContact O-CB 3.27Å; K739-L743 VanDerWaalsContact O-CG 3.24Å; K739-L743 WeakPolarHBondContact O-CG 3.45Å; K739-L743 PolarHBondContact O-N 3.45Å; V740-L743 PolarHBondContact O-N 2.92Å; L743-I746 PolarHBondContact O-N 3.28Å; L743-Q747 WeakPolarHBondContact O-CB 3.44Å; L743-Q747 PolarHBondContact O-N 3.46Å; L743-F757 HydrophobicContact CB-CE2 4.42Å; L743-F757 HydrophobicContact CB-CZ 4.35Å; L743-F757 HydrophobicContact CD2-CZ 4.28Å; L743-F757 WeakPolarHBondContact O-CZ 3.41Å; L743-Y771 HydrophobicContact CD1-CD1 3.88Å; L743-Y771 HydrophobicContact CD1-CE1 3.92Å; L743-V774 HydrophobicContact CB-CG1 3.78Å; L743-V774 HydrophobicContact CB-CG2 4.42Å
744	S	93	Very high	85.3	Confident	40 Å²	40	46.2 Å²	46.2	28%	0.28	24%	0.243	S	C	.	.	H	α-helix	trans	-69.7	-31.6	175.9	-172.8	0	0	0	0	112.7	V740 Q747 Q748	V740-S744 WeakPolarHBondContact O-CB 3.49Å; V740-S744 PolarHBondContact O-N 3.33Å; S744-Q747 WeakPolarHBondContact O-CB 3.4Å; S744-Q747 PolarHBondContact O-N 3.46Å; S744-Q748 VanDerWaalsContact O-CG 3.3Å; S744-Q748 WeakPolarHBondContact O-CG 3.36Å; S744-Q748 PolarHBondContact O-N 3.06Å; S744-Q748 PolarHBondContact O-NE2 3.24Å; S744-Q748 VanDerWaalsContact O-NE2 3.08Å
745	D	92	Very high	86.6	Confident	32 Å²	32	47.9 Å²	47.9	17%	0.171	25%	0.253	C	S	.	.	H	α-helix	trans	-63	-51.8	170.3	-174.4	-0.6	0	0	0	110.7	P47 R592 A741 C742 Q747 Q748	P47-D745 WeakPolarHBondContact CD-OD2 3.46Å; P47-D745 WeakPolarHBondContact CG-OD2 3.3Å; R592-D745 IonicContact CZ-OD1 3.57Å; R592-D745 VanDerWaalsContact CZ-OD1 3.24Å; R592-D745 IonicContact CZ-OD2 3.2Å; R592-D745 IonicContact NH1-OD1 2.67Å; R592-D745 PolarHBondContact NH1-OD1 2.67Å; R592-D745 IonicContact NH1-OD2 2.79Å; R592-D745 IonicContact NH2-OD1 3.18Å; R592-D745 PolarHBondContact NH2-OD1 2.75Å; R592-D745 IonicContact NH2-OD2 2.73Å; R592-D745 PolarHBondContact NH2-OD2 3.32Å; A741-D745 WeakPolarHBondContact O-CB 3.22Å; A741-D745 PolarHBondContact O-N 3.39Å; C742-D745 PolarHBondContact O-N 3.35Å; D745-Q747 VanDerWaalsContact C-N 3.27Å; D745-Q747 PolarHBondContact O-N 2.8Å; D745-Q748 WeakPolarHBondContact O-CB 3.08Å; D745-Q748 PolarHBondContact O-N 2.67Å
746	I	95	Very high	88	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-56.1	-42.4	175.1	-63.3	-63.3	0	0	0	111.5	L34 L683 L716 C742 L743 Q748 L749 F750 F757	L34-I746 HydrophobicContact CB-CD1 4.18Å; L34-I746 HydrophobicContact CD2-CD1 4.1Å; L34-I746 HydrophobicContact CD2-CG2 3.94Å; L683-I746 HydrophobicContact CD2-CG1 4.45Å; L683-I746 HydrophobicContact CD2-CG2 4Å; L716-I746 HydrophobicContact CD1-CD1 4.43Å; L716-I746 HydrophobicContact CD1-CG1 3.89Å; L716-I746 HydrophobicContact CD2-CD1 4.31Å; C742-I746 WeakPolarHBondContact O-CG1 3.08Å; C742-I746 PolarHBondContact O-N 2.96Å; L743-I746 PolarHBondContact O-N 3.28Å; I746-Q748 PolarHBondContact O-N 2.85Å; I746-L749 HydrophobicContact CD1-CD1 4.01Å; I746-L749 WeakPolarHBondContact O-CB 3.11Å; I746-L749 PolarHBondContact O-N 3.02Å; I746-F750 HydrophobicContact CG2-CE2 4.01Å; I746-F750 VanDerWaalsContact O-CD2 3.31Å; I746-F750 WeakPolarHBondContact O-CD2 3.41Å; I746-F757 HydrophobicContact CB-CZ 4.24Å; I746-F757 HydrophobicContact CG2-CE1 4.06Å; I746-F757 HydrophobicContact CG2-CZ 3.96Å
747	Q	94.7	Very high	89.2	Confident	32 Å²	32	46.9 Å²	46.9	15%	0.15	25%	0.246	C	C	.	.	H	α-helix	trans	-57.6	-32.9	176.6	-172.3	172.1	17	0	0	113.5	L743 S744 D745 L749 R754 F757 V774	L743-Q747 WeakPolarHBondContact O-CB 3.44Å; L743-Q747 PolarHBondContact O-N 3.46Å; S744-Q747 WeakPolarHBondContact O-CB 3.4Å; S744-Q747 PolarHBondContact O-N 3.46Å; D745-Q747 VanDerWaalsContact C-N 3.27Å; D745-Q747 PolarHBondContact O-N 2.8Å; Q747-L749 VanDerWaalsContact C-N 3.29Å; Q747-L749 PolarHBondContact O-N 2.9Å; Q747-R754 HydrophobicContact CG-CB 4.43Å; Q747-R754 WeakPolarHBondContact CG-O 3.13Å; Q747-R754 PolarHBondContact NE2-O 2.91Å; Q747-F757 HydrophobicContact CB-CE2 3.99Å; Q747-F757 HydrophobicContact CB-CZ 4.48Å; Q747-F757 HydrophobicContact CG-CE2 4.47Å; Q747-V774 PolarHBondContact NE2-O 3.3Å; Q747-V774 PolarHBondContact OE1-O 2.89Å
748	Q	93.4	Very high	90.1	Very high	103 Å²	103	45.1 Å²	45.1	48%	0.481	23%	0.233	S	C	.	.	H	α-helix	trans	-77.5	-10.6	179	-69.3	167.7	54.2	0	0	113.6	S744 D745 I746	S744-Q748 VanDerWaalsContact O-CG 3.3Å; S744-Q748 WeakPolarHBondContact O-CG 3.36Å; S744-Q748 PolarHBondContact O-N 3.06Å; S744-Q748 PolarHBondContact O-NE2 3.24Å; S744-Q748 VanDerWaalsContact O-NE2 3.08Å; D745-Q748 WeakPolarHBondContact O-CB 3.08Å; D745-Q748 PolarHBondContact O-N 2.67Å; I746-Q748 PolarHBondContact O-N 2.85Å
749	L	95.1	Very high	91.1	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.031	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-21.1	174.9	-53.7	-179.5	0	0	0	113.2	L34 V36 Q38 R44 C45 I746 Q747	L34-L749 HydrophobicContact CB-CD1 4.43Å; L34-L749 HydrophobicContact CD2-CD1 4.32Å; L34-L749 HydrophobicContact CG-CD1 4.37Å; V36-L749 HydrophobicContact CB-CB 4.2Å; V36-L749 HydrophobicContact CG2-CB 3.66Å; V36-L749 HydrophobicContact CG2-CD1 4.33Å; Q38-L749 PolarHBondContact NE2-O 2.92Å; Q38-L749 PolarHBondContact OE1-O 2.95Å; R44-L749 HydrophobicContact CB-CD2 4.04Å; C45-L749 WeakPolarHBondContact O-CD2 3.45Å; I746-L749 HydrophobicContact CD1-CD1 4.01Å; I746-L749 WeakPolarHBondContact O-CB 3.11Å; I746-L749 PolarHBondContact O-N 3.02Å; Q747-L749 VanDerWaalsContact C-N 3.29Å; Q747-L749 PolarHBondContact O-N 2.9Å
750	F	94.7	Very high	91.6	Very high	3 Å²	3	43.8 Å²	43.8	1%	0.013	23%	0.227	C	C	.	.	S	Bend	trans	-100.6	86.1	-175.4	-65.4	-102.5	0	0	0	111	L34 V36 W631 N632 V637 I746 R754 P756	L34-F750 HydrophobicContact CD2-CE2 3.93Å; L34-F750 HydrophobicContact CD2-CZ 4.02Å; V36-F750 HydrophobicContact CG1-CD1 3.95Å; V36-F750 HydrophobicContact CG1-CE1 4.15Å; V36-F750 HydrophobicContact CG1-CG 4.29Å; V36-F750 HydrophobicContact CG2-CD1 4.43Å; V36-F750 HydrophobicContact CG2-CD2 4.14Å; V36-F750 HydrophobicContact CG2-CE1 4.12Å; V36-F750 HydrophobicContact CG2-CE2 3.8Å; V36-F750 HydrophobicContact CG2-CG 4.45Å; V36-F750 HydrophobicContact CG2-CZ 3.79Å; W631-F750 HydrophobicContact CE3-CZ 4.13Å; N632-F750 WeakPolarHBondContact O-CE1 3.45Å; V637-F750 HydrophobicContact CG2-CE1 4.36Å; V637-F750 HydrophobicContact CG2-CZ 3.92Å; I746-F750 HydrophobicContact CG2-CE2 4.01Å; I746-F750 VanDerWaalsContact O-CD2 3.31Å; I746-F750 WeakPolarHBondContact O-CD2 3.41Å; F750-R754 VanDerWaalsContact O-CA 3.27Å; F750-R754 WeakPolarHBondContact O-CA 3.5Å; F750-R754 PolarHBondContact O-N 2.78Å; F750-P756 HydrophobicContact CB-CB 4.17Å; F750-P756 HydrophobicContact CB-CG 4.28Å; F750-P756 HydrophobicContact CD1-CB 3.72Å; F750-P756 HydrophobicContact CD2-CB 3.64Å; F750-P756 HydrophobicContact CD2-CG 3.6Å; F750-P756 HydrophobicContact CE1-CB 3.89Å; F750-P756 HydrophobicContact CE2-CB 3.82Å; F750-P756 HydrophobicContact CE2-CG 3.95Å; F750-P756 HydrophobicContact CG-CB 3.59Å; F750-P756 HydrophobicContact CG-CG 3.92Å; F750-P756 HydrophobicContact CZ-CB 3.93Å
751	L	88.8	Confident	91.9	Very high	37 Å²	37	42.2 Å²	42.2	19%	0.194	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	147	174.8	-55.1	-177.2	0	0	0	111.2	R44 W633 R754	R44-L751 VanDerWaalsContact CZ-CD1 3.49Å; W633-L751 WeakPolarHBondContact CB-O 3.34Å; L751-R754 HydrophobicContact CD2-CG 3.73Å; L751-R754 VanDerWaalsContact CD2-NE 3.29Å
752	P	82.6	Confident	92.3	Very high	85 Å²	85	39.5 Å²	39.5	55%	0.552	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	cis	-85.3	-23.6	4.6	31.7	-35.8	0	0	0	115.8	R754	P752-R754 PolarHBondContact O-N 2.79Å
753	Q	76.7	Confident	92.5	Very high	110 Å²	110	39.8 Å²	39.8	51%	0.514	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-27.8	-163.9	-68.4	78.5	5.1	0	0	115	Q755	Q753-Q755 PolarHBondContact O-N 3.49Å; Q753-Q755 VanDerWaalsContact O-N 3.11Å
754	R	82.8	Confident	92.4	Very high	142 Å²	142	43.8 Å²	43.8	54%	0.536	21%	0.21	S	C	.	.			trans	52	29.3	-174.2	-59.7	-179.8	-178.6	-179.5	1.6	114	Q747 F750 L751 P752	Q747-R754 HydrophobicContact CG-CB 4.43Å; Q747-R754 WeakPolarHBondContact CG-O 3.13Å; Q747-R754 PolarHBondContact NE2-O 2.91Å; F750-R754 VanDerWaalsContact O-CA 3.27Å; F750-R754 WeakPolarHBondContact O-CA 3.5Å; F750-R754 PolarHBondContact O-N 2.78Å; L751-R754 HydrophobicContact CD2-CG 3.73Å; L751-R754 VanDerWaalsContact CD2-NE 3.29Å; P752-R754 PolarHBondContact O-N 2.79Å
755	Q	89.6	Confident	92.3	Very high	153 Å²	153	47 Å²	47	72%	0.715	23%	0.23	S	C	*	.			trans	-135.7	68.6	177.8	-67.2	-175.9	6.3	0	0	110.8	Q753	Q753-Q755 PolarHBondContact O-N 3.49Å; Q753-Q755 VanDerWaalsContact O-N 3.11Å
756	P	94.4	Very high	92.2	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.026	24%	0.237	C	C	.	.			trans	-77.4	-25.5	176.6	32.1	-35.6	0	0	0	112.9	V637 F750 H758	V637-P756 HydrophobicContact CB-CB 4.45Å; V637-P756 HydrophobicContact CG2-CB 4.04Å; V637-P756 PolarHBondContact N-O 3.46Å; F750-P756 HydrophobicContact CB-CB 4.17Å; F750-P756 HydrophobicContact CB-CG 4.28Å; F750-P756 HydrophobicContact CD1-CB 3.72Å; F750-P756 HydrophobicContact CD2-CB 3.64Å; F750-P756 HydrophobicContact CD2-CG 3.6Å; F750-P756 HydrophobicContact CE1-CB 3.89Å; F750-P756 HydrophobicContact CE2-CB 3.82Å; F750-P756 HydrophobicContact CE2-CG 3.95Å; F750-P756 HydrophobicContact CG-CB 3.59Å; F750-P756 HydrophobicContact CG-CG 3.92Å; F750-P756 HydrophobicContact CZ-CB 3.93Å; P756-H758 PolarHBondContact O-N 2.81Å
757	F	96.7	Very high	92.1	Very high	22 Å²	22	48.5 Å²	48.5	10%	0.096	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	119.2	-169.6	-53.3	-50.2	0	0	0	111.8	V637 I639 L683 L743 I746 Q747 V774 L776	V637-F757 HydrophobicContact CB-CD1 4.05Å; V637-F757 HydrophobicContact CG1-CD1 4Å; V637-F757 HydrophobicContact CG1-CE1 4.18Å; V637-F757 CarbonylContact O-C 3.54Å; V637-F757 WeakPolarHBondContact O-CA 3.45Å; I639-F757 HydrophobicContact CD1-CB 4.3Å; I639-F757 HydrophobicContact CD1-CD1 3.67Å; I639-F757 HydrophobicContact CD1-CD2 4.15Å; I639-F757 HydrophobicContact CD1-CE1 3.95Å; I639-F757 HydrophobicContact CD1-CE2 4.39Å; I639-F757 HydrophobicContact CD1-CG 3.79Å; I639-F757 HydrophobicContact CD1-CZ 4.3Å; I639-F757 HydrophobicContact CG1-CD1 3.73Å; I639-F757 HydrophobicContact CG1-CE1 4.01Å; I639-F757 HydrophobicContact CG1-CG 4.31Å; L683-F757 HydrophobicContact CD2-CE1 3.88Å; L743-F757 HydrophobicContact CB-CE2 4.42Å; L743-F757 HydrophobicContact CB-CZ 4.35Å; L743-F757 HydrophobicContact CD2-CZ 4.28Å; L743-F757 WeakPolarHBondContact O-CZ 3.41Å; I746-F757 HydrophobicContact CB-CZ 4.24Å; I746-F757 HydrophobicContact CG2-CE1 4.06Å; I746-F757 HydrophobicContact CG2-CZ 3.96Å; Q747-F757 HydrophobicContact CB-CE2 3.99Å; Q747-F757 HydrophobicContact CB-CZ 4.48Å; Q747-F757 HydrophobicContact CG-CE2 4.47Å; F757-V774 HydrophobicContact CD2-CB 4.22Å; F757-V774 HydrophobicContact CD2-CG2 3.81Å; F757-V774 HydrophobicContact CE2-CB 4.05Å; F757-V774 HydrophobicContact CE2-CG2 3.89Å; F757-L776 HydrophobicContact CB-CD1 4.02Å; F757-L776 HydrophobicContact CB-CD2 3.9Å; F757-L776 HydrophobicContact CB-CG 3.91Å; F757-L776 WeakPolarHBondContact O-CD2 3.27Å
758	H	95.9	Very high	92.1	Very high	33 Å²	33	47.3 Å²	47.3	15%	0.153	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-33.8	177.5	-179.1	90.7	0	0	0	112.8	K636 V637 Y680 P756 R780 L812 F813	K636-H758 HydrophobicContact CB-CB 4.48Å; V637-H758 PolarHBondContact O-N 3.05Å; Y680-H758 HydrophobicContact CD1-CB 4.19Å; Y680-H758 HydrophobicContact CE1-CB 3.81Å; Y680-H758 AromaticContact CE1-CD2 3.47Å; Y680-H758 VanDerWaalsContact CE1-CD2 3.47Å; Y680-H758 WeakPolarHBondContact CE1-CD2 3.48Å; Y680-H758 AromaticContact CE1-CE1 3.89Å; Y680-H758 AromaticContact CE1-CG 3.42Å; Y680-H758 VanDerWaalsContact CE1-CG 3.42Å; Y680-H758 AromaticContact CE1-ND1 3.71Å; Y680-H758 AromaticContact CE1-NE2 3.77Å; Y680-H758 AromaticContact CZ-CD2 3.89Å; Y680-H758 AromaticContact CZ-CE1 3.89Å; Y680-H758 AromaticContact CZ-NE2 3.72Å; Y680-H758 PolarHBondContact OH-CE1 3.37Å; Y680-H758 PolarHBondContact OH-NE2 3.43Å; P756-H758 PolarHBondContact O-N 2.81Å; H758-R780 PolarHBondContact CE1-NH2 3.5Å; H758-R780 WeakPolarHBondContact O-CB 3.32Å; H758-R780 VanDerWaalsContact O-CD 3.23Å; H758-R780 WeakPolarHBondContact O-CD 3.42Å; H758-R780 VanDerWaalsContact O-CG 3.31Å; H758-R780 WeakPolarHBondContact O-CG 3.27Å; H758-L812 PolarHBondContact NE2-O 2.9Å; H758-F813 AromaticContact CD2-CD1 3.58Å; H758-F813 AromaticContact CD2-CE1 3.72Å; H758-F813 AromaticContact NE2-CD1 3.84Å
759	A	97.7	Very high	92.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	164.7	176.9	0	0	0	0	0	112.3	V638 I639 R780 F782 F813	V638-A759 WeakPolarHBondContact CA-O 3.45Å; V638-A759 HydrophobicContact CG1-CB 4.47Å; I639-A759 PolarHBondContact N-O 2.91Å; A759-R780 CarbonylContact C-O 3.58Å; A759-R780 VanDerWaalsContact CA-O 3.24Å; A759-R780 WeakPolarHBondContact CA-O 3.41Å; A759-R780 WeakPolarHBondContact CB-O 3.23Å; A759-F782 HydrophobicContact CB-CE2 4.44Å; A759-F813 HydrophobicContact CB-CE1 3.58Å; A759-F813 HydrophobicContact CB-CZ 3.65Å
760	A	98	Very high	92	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	144.8	171.9	0	0	0	0	0	113.3	I639 Y771 L776 R780 F782	I639-A760 HydrophobicContact CB-CB 3.96Å; I639-A760 HydrophobicContact CD1-CB 4.31Å; I639-A760 CarbonylContact O-C 3.52Å; I639-A760 VanDerWaalsContact O-CA 3.31Å; I639-A760 WeakPolarHBondContact O-CA 3.29Å; A760-Y771 HydrophobicContact CB-CD1 3.58Å; A760-Y771 HydrophobicContact CB-CD2 3.52Å; A760-Y771 HydrophobicContact CB-CE1 3.8Å; A760-Y771 HydrophobicContact CB-CE2 3.74Å; A760-Y771 HydrophobicContact CB-CG 3.45Å; A760-Y771 VanDerWaalsContact CB-CG 3.45Å; A760-L776 HydrophobicContact CB-CD1 3.55Å; A760-R780 PolarHBondContact N-O 3.27Å; A760-F782 PolarHBondContact O-N 3.23Å
761	F	97.9	Very high	92.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.5	172.5	-62.9	-86.3	0	0	0	110.2	V638 I639 D641 T645 L671 Y672 I675 Y771 F782 L790 Y802 L805 F813	V638-F761 HydrophobicContact CG1-CD2 3.97Å; V638-F761 HydrophobicContact CG1-CE2 3.77Å; I639-F761 PolarHBondContact O-N 3.26Å; D641-F761 PolarHBondContact N-O 2.84Å; T645-F761 HydrophobicContact CG2-CB 3.99Å; L671-F761 HydrophobicContact CD2-CE1 4.17Å; L671-F761 HydrophobicContact CD2-CZ 4.07Å; Y672-F761 AromaticContact CE1-CD2 3.82Å; Y672-F761 HydrophobicContact CE1-CD2 3.82Å; Y672-F761 AromaticContact CE1-CE2 3.84Å; Y672-F761 HydrophobicContact CE1-CE2 3.84Å; Y672-F761 HydrophobicContact CE1-CG 4.18Å; Y672-F761 HydrophobicContact CE1-CZ 4.22Å; Y672-F761 AromaticContact CZ-CD2 3.94Å; Y672-F761 VanDerWaalsContact OH-CB 3.3Å; Y672-F761 WeakPolarHBondContact OH-CB 3.49Å; Y672-F761 WeakPolarHBondContact OH-CD2 3.32Å; Y672-F761 WeakPolarHBondContact OH-CG 3.48Å; I675-F761 HydrophobicContact CD1-CE2 4.28Å; I675-F761 HydrophobicContact CD1-CZ 4.25Å; F761-Y771 PolarHBondContact O-OH 2.83Å; F761-Y771 VanDerWaalsContact O-OH 3.1Å; F761-F782 WeakPolarHBondContact CA-O 3.27Å; F761-F782 HydrophobicContact CD1-CB 3.64Å; F761-F782 HydrophobicContact CD1-CD2 4.14Å; F761-F782 HydrophobicContact CD1-CG 4.18Å; F761-F782 HydrophobicContact CE1-CB 3.83Å; F761-F782 AromaticContact CE1-CD2 3.69Å; F761-F782 HydrophobicContact CE1-CD2 3.69Å; F761-F782 HydrophobicContact CE1-CE2 4.49Å; F761-F782 AromaticContact CE1-CG 3.87Å; F761-F782 HydrophobicContact CE1-CG 3.87Å; F761-F782 AromaticContact CZ-CD2 3.99Å; F761-F782 HydrophobicContact CZ-CD2 3.99Å; F761-F782 HydrophobicContact CZ-CE2 4.45Å; F761-L790 HydrophobicContact CD1-CD1 4.49Å; F761-L790 HydrophobicContact CE1-CD2 4.42Å; F761-Y802 AromaticContact CD1-CE1 3.89Å; F761-Y802 HydrophobicContact CD1-CE1 3.89Å; F761-Y802 HydrophobicContact CE1-CE1 4.15Å; F761-L805 HydrophobicContact CE1-CD2 3.72Å; F761-L805 HydrophobicContact CZ-CD2 3.99Å; F761-F813 HydrophobicContact CE2-CZ 4.25Å; F761-F813 HydrophobicContact CZ-CZ 4.14Å
762	G	95.7	Very high	92.4	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	-170.5	174.7	0	0	0	0	0	112.1	T645 F782 T783 V784	T645-G762 VanDerWaalsContact OG1-CA 3.3Å; T645-G762 WeakPolarHBondContact OG1-CA 3.4Å; G762-F782 PolarHBondContact N-O 3.48Å; G762-T783 WeakPolarHBondContact O-CA 3.47Å; G762-V784 PolarHBondContact O-N 2.96Å
763	N	93.6	Very high	93	Very high	31 Å²	31	51 Å²	51	17%	0.166	24%	0.237	C	C	.	.	S	Bend	trans	-135	-16.6	-178.6	75.8	-36.2	0	0	0	114.9	D643 G644 T645 D650 D767 V784	D643-N763 PolarHBondContact O-OD1 2.84Å; G644-N763 WeakPolarHBondContact CA-ND2 3.41Å; G644-N763 WeakPolarHBondContact O-CB 3.49Å; T645-N763 WeakPolarHBondContact OG1-CB 3.42Å; T645-N763 PolarHBondContact OG1-N 3Å; D650-N763 PolarHBondContact OD1-ND2 3.48Å; N763-D767 PolarHBondContact N-OD2 3.02Å; N763-D767 PolarHBondContact OD1-OD2 2.84Å; N763-V784 WeakPolarHBondContact CA-O 3.31Å; N763-V784 HydrophobicContact CB-CG1 4.22Å; N763-V784 WeakPolarHBondContact CB-O 3.47Å
764	R	91	Very high	93.8	Very high	83 Å²	83	46 Å²	46	31%	0.313	21%	0.214	S	C	.	.	S	Bend	trans	-113.1	149.7	-178.7	-67.7	161.9	170.1	-156.5	0.7	111.1	D650 N766 D767 V768	D650-R764 IonicContact OD2-CZ 3.24Å; D650-R764 VanDerWaalsContact OD2-CZ 3.24Å; D650-R764 IonicContact OD2-NE 2.77Å; D650-R764 PolarHBondContact OD2-NE 3.03Å; D650-R764 IonicContact OD2-NH2 3.76Å; D650-R764 PolarHBondContact OD2-NH2 3.45Å; R764-N766 HydrophobicContact CB-CB 4.45Å; R764-N766 PolarHBondContact O-N 2.96Å; R764-N766 VanDerWaalsContact O-N 3.14Å; R764-D767 WeakPolarHBondContact CA-OD2 3.38Å; R764-D767 WeakPolarHBondContact CB-OD2 3.25Å; R764-D767 PolarHBondContact N-OD2 2.89Å; R764-D767 WeakPolarHBondContact O-CB 3.39Å; R764-D767 PolarHBondContact O-N 2.95Å; R764-V768 PolarHBondContact O-N 2.85Å
765	P	91.8	Very high	94.2	Very high	107 Å²	107	42.1 Å²	42.1	70%	0.695	22%	0.218	S	C	*	.	H	α-helix	trans	-56.7	-27.4	171.3	-26	35.6	0	0	0	113.8	D767 V768 F769	P765-D767 PolarHBondContact O-N 3.17Å; P765-V768 WeakPolarHBondContact O-CB 3.4Å; P765-V768 PolarHBondContact O-N 2.88Å; P765-F769 WeakPolarHBondContact O-CB 3.24Å; P765-F769 PolarHBondContact O-N 3.2Å
766	N	89.7	Confident	94.5	Very high	62 Å²	62	35.2 Å²	35.2	33%	0.332	19%	0.185	S	C	.	.	H	α-helix	trans	-62.5	-30.3	174	-64.6	60.6	0	0	0	112.4	E736 R764 A770	E736-N766 HydrophobicContact CB-CB 4.14Å; E736-N766 WeakPolarHBondContact CB-O 3.31Å; E736-N766 PolarHBondContact OE2-ND2 3.25Å; R764-N766 HydrophobicContact CB-CB 4.45Å; R764-N766 PolarHBondContact O-N 2.96Å; R764-N766 VanDerWaalsContact O-N 3.14Å; N766-A770 PolarHBondContact O-N 2.84Å; N766-A770 VanDerWaalsContact O-N 3.14Å
767	D	93.2	Very high	94.5	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-78.2	-45.3	177.7	-42	-38.1	0	0	0	109.8	K739 N763 R764 P765 F769 A770 Y771	K739-D767 IonicContact NZ-OD1 3.33Å; K739-D767 PolarHBondContact NZ-OD1 2.86Å; K739-D767 IonicContact NZ-OD2 2.66Å; N763-D767 PolarHBondContact N-OD2 3.02Å; N763-D767 PolarHBondContact OD1-OD2 2.84Å; R764-D767 WeakPolarHBondContact CA-OD2 3.38Å; R764-D767 WeakPolarHBondContact CB-OD2 3.25Å; R764-D767 PolarHBondContact N-OD2 2.89Å; R764-D767 WeakPolarHBondContact O-CB 3.39Å; R764-D767 PolarHBondContact O-N 2.95Å; P765-D767 PolarHBondContact O-N 3.17Å; D767-F769 PolarHBondContact O-N 3.39Å; D767-A770 CarbonylContact O-C 3.58Å; D767-A770 WeakPolarHBondContact O-CA 3.46Å; D767-A770 WeakPolarHBondContact O-CB 3.11Å; D767-A770 PolarHBondContact O-N 3.14Å; D767-Y771 VanDerWaalsContact C-CD2 3.49Å; D767-Y771 HydrophobicContact CB-CD2 4.3Å; D767-Y771 HydrophobicContact CB-CE2 3.58Å; D767-Y771 WeakPolarHBondContact O-CD2 3.41Å; D767-Y771 PolarHBondContact O-N 3.41Å
768	V	94.5	Very high	94.4	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-53	-44.5	172.3	173	0	0	0	0	111.2	R764 P765 R772 I781 T783 E793	R764-V768 PolarHBondContact O-N 2.85Å; P765-V768 WeakPolarHBondContact O-CB 3.4Å; P765-V768 PolarHBondContact O-N 2.88Å; V768-R772 WeakPolarHBondContact O-CD 3.48Å; V768-R772 VanDerWaalsContact O-CG 3.22Å; V768-R772 WeakPolarHBondContact O-CG 3.31Å; V768-R772 PolarHBondContact O-N 2.89Å; V768-I781 HydrophobicContact CG2-CG2 4.05Å; V768-T783 HydrophobicContact CG2-CG2 3.2Å; V768-E793 HydrophobicContact CG1-CG 3.9Å; V768-E793 WeakPolarHBondContact CG1-OE2 3.23Å; V768-E793 HydrophobicContact CG2-CG 3.82Å
769	F	94.2	Very high	94.3	Very high	111 Å²	111	41 Å²	41	49%	0.487	22%	0.223	S	C	.	.	H	α-helix	trans	-60.4	-46.9	173.1	177.5	-94.5	0	0	0	111.7	E736 V740 P765 D767 Y771 R772 Q773	E736-F769 HydrophobicContact CB-CD1 4.12Å; E736-F769 HydrophobicContact CG-CD1 4Å; E736-F769 HydrophobicContact CG-CE1 4.28Å; V740-F769 HydrophobicContact CG2-CE1 4.4Å; P765-F769 WeakPolarHBondContact O-CB 3.24Å; P765-F769 PolarHBondContact O-N 3.2Å; D767-F769 PolarHBondContact O-N 3.39Å; F769-Y771 PolarHBondContact O-N 2.95Å; F769-R772 PolarHBondContact O-N 3.01Å; F769-Q773 WeakPolarHBondContact O-CB 3.35Å; F769-Q773 PolarHBondContact O-N 2.94Å
770	A	93.1	Very high	94.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-39	179.3	0	0	0	0	0	113.4	K739 V740 N766 D767 Q773 V774	K739-A770 HydrophobicContact CB-CB 3.83Å; V740-A770 HydrophobicContact CG2-CB 3.78Å; N766-A770 PolarHBondContact O-N 2.84Å; N766-A770 VanDerWaalsContact O-N 3.14Å; D767-A770 CarbonylContact O-C 3.58Å; D767-A770 WeakPolarHBondContact O-CA 3.46Å; D767-A770 WeakPolarHBondContact O-CB 3.11Å; D767-A770 PolarHBondContact O-N 3.14Å; A770-Q773 PolarHBondContact O-N 3.03Å; A770-V774 PolarHBondContact O-N 3.47Å
771	Y	96.3	Very high	94.2	Very high	1 Å²	1	44 Å²	44	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-69	-42.2	177.6	-56.2	-39.8	0	0	0	112.2	I639 L743 A760 F761 D767 F769 Q773 V774 G775 L776 I781	I639-Y771 HydrophobicContact CB-CE1 4.29Å; I639-Y771 HydrophobicContact CD1-CD1 4.06Å; I639-Y771 HydrophobicContact CD1-CE1 4.31Å; I639-Y771 HydrophobicContact CG2-CE1 3.72Å; L743-Y771 HydrophobicContact CD1-CD1 3.88Å; L743-Y771 HydrophobicContact CD1-CE1 3.92Å; A760-Y771 HydrophobicContact CB-CD1 3.58Å; A760-Y771 HydrophobicContact CB-CD2 3.52Å; A760-Y771 HydrophobicContact CB-CE1 3.8Å; A760-Y771 HydrophobicContact CB-CE2 3.74Å; A760-Y771 HydrophobicContact CB-CG 3.45Å; A760-Y771 VanDerWaalsContact CB-CG 3.45Å; F761-Y771 PolarHBondContact O-OH 2.83Å; F761-Y771 VanDerWaalsContact O-OH 3.1Å; D767-Y771 VanDerWaalsContact C-CD2 3.49Å; D767-Y771 HydrophobicContact CB-CD2 4.3Å; D767-Y771 HydrophobicContact CB-CE2 3.58Å; D767-Y771 WeakPolarHBondContact O-CD2 3.41Å; D767-Y771 PolarHBondContact O-N 3.41Å; F769-Y771 PolarHBondContact O-N 2.95Å; Y771-Q773 VanDerWaalsContact C-N 3.28Å; Y771-Q773 PolarHBondContact O-N 2.89Å; Y771-V774 VanDerWaalsContact O-CG2 3.27Å; Y771-V774 WeakPolarHBondContact O-CG2 2.89Å; Y771-V774 PolarHBondContact O-N 3.37Å; Y771-G775 PolarHBondContact O-N 2.86Å; Y771-L776 WeakPolarHBondContact O-CB 3.49Å; Y771-L776 PolarHBondContact O-N 3.07Å; Y771-L776 VanDerWaalsContact O-N 3.15Å; Y771-I781 HydrophobicContact CD2-CG2 3.85Å
772	R	95.6	Very high	94.2	Very high	88 Å²	88	44.2 Å²	44.2	33%	0.332	24%	0.235	S	C	.	.	H	α-helix	trans	-58.5	-41.2	172.3	-70	167	-167.5	-122.7	-2.8	111.5	V768 F769 V774 G775 E778 I781 E793	V768-R772 WeakPolarHBondContact O-CD 3.48Å; V768-R772 VanDerWaalsContact O-CG 3.22Å; V768-R772 WeakPolarHBondContact O-CG 3.31Å; V768-R772 PolarHBondContact O-N 2.89Å; F769-R772 PolarHBondContact O-N 3.01Å; R772-V774 PolarHBondContact O-N 2.87Å; R772-G775 PolarHBondContact O-N 3.45Å; R772-E778 IonicContact CZ-OE1 2.57Å; R772-E778 IonicContact CZ-OE2 3.09Å; R772-E778 VanDerWaalsContact CZ-OE2 3.3Å; R772-E778 IonicContact NH1-OE1 3.28Å; R772-E778 PolarHBondContact NH1-OE1 2.62Å; R772-E778 IonicContact NH1-OE2 2.68Å; R772-E778 PolarHBondContact NH1-OE2 3.11Å; R772-E778 IonicContact NH2-OE1 2.82Å; R772-E778 IonicContact NH2-OE2 3.29Å; R772-E778 PolarHBondContact NH2-OE2 3.32Å; R772-I781 HydrophobicContact CG-CD1 3.8Å; R772-E793 IonicContact NH2-OE2 3.34Å; R772-E793 PolarHBondContact NH2-OE2 3.3Å
773	Q	94	Very high	94.2	Very high	113 Å²	113	45 Å²	45	53%	0.528	24%	0.24	S	C	.	.	H	α-helix	trans	-67.1	-21.5	-176.9	-171.7	57	79.5	0	0	114.1	V740 F769 A770 Y771	V740-Q773 HydrophobicContact CG1-CB 4.42Å; V740-Q773 HydrophobicContact CG1-CG 3.65Å; V740-Q773 HydrophobicContact CG2-CB 3.99Å; V740-Q773 HydrophobicContact CG2-CG 3.99Å; F769-Q773 WeakPolarHBondContact O-CB 3.35Å; F769-Q773 PolarHBondContact O-N 2.94Å; A770-Q773 PolarHBondContact O-N 3.03Å; Y771-Q773 VanDerWaalsContact C-N 3.28Å; Y771-Q773 PolarHBondContact O-N 2.89Å
774	V	93.5	Very high	94.3	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.03	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	11	170.5	-61.2	0	0	0	0	113.6	L743 Q747 F757 A770 Y771 R772	L743-V774 HydrophobicContact CB-CG1 3.78Å; L743-V774 HydrophobicContact CB-CG2 4.42Å; Q747-V774 PolarHBondContact NE2-O 3.3Å; Q747-V774 PolarHBondContact OE1-O 2.89Å; F757-V774 HydrophobicContact CD2-CB 4.22Å; F757-V774 HydrophobicContact CD2-CG2 3.81Å; F757-V774 HydrophobicContact CE2-CB 4.05Å; F757-V774 HydrophobicContact CE2-CG2 3.89Å; A770-V774 PolarHBondContact O-N 3.47Å; Y771-V774 VanDerWaalsContact O-CG2 3.27Å; Y771-V774 WeakPolarHBondContact O-CG2 2.89Å; Y771-V774 PolarHBondContact O-N 3.37Å; R772-V774 PolarHBondContact O-N 2.87Å
775	G	92.8	Very high	94.4	Very high	60 Å²	60	41.9 Å²	41.9	62%	0.619	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.2	10.7	171.3	0	0	0	0	0	116.1	Y771 R772	Y771-G775 PolarHBondContact O-N 2.86Å; R772-G775 PolarHBondContact O-N 3.45Å
776	L	95.5	Very high	94.3	Very high	7 Å²	7	41 Å²	41	4%	0.037	22%	0.224	C	C	.	.			trans	-73.4	126.6	171.7	-80.8	166.8	0	0	0	110.8	I639 F757 A760 Y771 R780 I781	I639-L776 HydrophobicContact CD1-CD1 3.93Å; F757-L776 HydrophobicContact CB-CD1 4.02Å; F757-L776 HydrophobicContact CB-CD2 3.9Å; F757-L776 HydrophobicContact CB-CG 3.91Å; F757-L776 WeakPolarHBondContact O-CD2 3.27Å; A760-L776 HydrophobicContact CB-CD1 3.55Å; Y771-L776 WeakPolarHBondContact O-CB 3.49Å; Y771-L776 PolarHBondContact O-N 3.07Å; Y771-L776 VanDerWaalsContact O-N 3.15Å; L776-R780 HydrophobicContact CD2-CB 4.12Å; L776-I781 HydrophobicContact CB-CD1 4.17Å; L776-I781 HydrophobicContact CB-CG1 4.04Å
777	P	94.7	Very high	94.3	Very high	69 Å²	69	48.4 Å²	48.4	45%	0.448	25%	0.247	S	C	.	.			trans	-74.4	157	176.3	31.2	-35.2	0	0	0	111.5	S779 R780	P777-S779 PolarHBondContact O-N 3.41Å; P777-S779 VanDerWaalsContact O-N 3.07Å; P777-R780 HydrophobicContact CG-CB 4.15Å; P777-R780 HydrophobicContact CG-CG 3.75Å; P777-R780 WeakPolarHBondContact O-CB 3.48Å; P777-R780 PolarHBondContact O-N 3.06Å
778	E	94.3	Very high	94.2	Very high	70 Å²	70	49 Å²	49	33%	0.327	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-62.1	-21.1	-176.3	-53.1	-165.3	-152.1	0	0	114	R772 R780 E793 L794	R772-E778 IonicContact CZ-OE1 2.57Å; R772-E778 IonicContact CZ-OE2 3.09Å; R772-E778 VanDerWaalsContact CZ-OE2 3.3Å; R772-E778 IonicContact NH1-OE1 3.28Å; R772-E778 PolarHBondContact NH1-OE1 2.62Å; R772-E778 IonicContact NH1-OE2 2.68Å; R772-E778 PolarHBondContact NH1-OE2 3.11Å; R772-E778 IonicContact NH2-OE1 2.82Å; R772-E778 IonicContact NH2-OE2 3.29Å; R772-E778 PolarHBondContact NH2-OE2 3.32Å; E778-R780 PolarHBondContact O-N 3.29Å; E778-E793 HydrophobicContact CB-CB 4.17Å; E778-L794 HydrophobicContact CB-CB 4.02Å; E778-L794 PolarHBondContact O-N 2.92Å
779	S	94.1	Very high	94.2	Very high	42 Å²	42	51.2 Å²	51.2	29%	0.294	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-70	-14.3	172.1	54.3	0	0	0	0	113.8	P777 Q792	P777-S779 PolarHBondContact O-N 3.41Å; P777-S779 VanDerWaalsContact O-N 3.07Å; S779-Q792 PolarHBondContact O-NE2 3.25Å
780	R	95.5	Very high	94.2	Very high	64 Å²	64	46 Å²	46	24%	0.242	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-113.7	0.4	-176.8	-64.5	-58.4	-165.6	-178.3	4.1	113.6	H758 A759 A760 L776 P777 E778 L812	H758-R780 PolarHBondContact CE1-NH2 3.5Å; H758-R780 WeakPolarHBondContact O-CB 3.32Å; H758-R780 VanDerWaalsContact O-CD 3.23Å; H758-R780 WeakPolarHBondContact O-CD 3.42Å; H758-R780 VanDerWaalsContact O-CG 3.31Å; H758-R780 WeakPolarHBondContact O-CG 3.27Å; A759-R780 CarbonylContact C-O 3.58Å; A759-R780 VanDerWaalsContact CA-O 3.24Å; A759-R780 WeakPolarHBondContact CA-O 3.41Å; A759-R780 WeakPolarHBondContact CB-O 3.23Å; A760-R780 PolarHBondContact N-O 3.27Å; L776-R780 HydrophobicContact CD2-CB 4.12Å; P777-R780 HydrophobicContact CG-CB 4.15Å; P777-R780 HydrophobicContact CG-CG 3.75Å; P777-R780 WeakPolarHBondContact O-CB 3.48Å; P777-R780 PolarHBondContact O-N 3.06Å; E778-R780 PolarHBondContact O-N 3.29Å; R780-L812 PolarHBondContact NH1-O 2.75Å
781	I	97.4	Very high	94.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128	178.5	-59.4	166.3	0	0	0	109	V768 Y771 R772 L776 E793	V768-I781 HydrophobicContact CG2-CG2 4.05Å; Y771-I781 HydrophobicContact CD2-CG2 3.85Å; R772-I781 HydrophobicContact CG-CD1 3.8Å; L776-I781 HydrophobicContact CB-CD1 4.17Å; L776-I781 HydrophobicContact CB-CG1 4.04Å; I781-E793 HydrophobicContact CB-CB 4.2Å; I781-E793 HydrophobicContact CB-CG 4.06Å; I781-E793 HydrophobicContact CG2-CB 4.39Å; I781-E793 HydrophobicContact CG2-CG 3.7Å; I781-E793 PolarHBondContact O-N 3.19Å
782	F	97.3	Very high	94.2	Very high	4 Å²	4	50 Å²	50	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.7	178.5	-56.3	-85.8	0	0	0	110.8	A759 A760 F761 G762 L790 I791 Q792 L805 L812 F813	A759-F782 HydrophobicContact CB-CE2 4.44Å; A760-F782 PolarHBondContact O-N 3.23Å; F761-F782 WeakPolarHBondContact CA-O 3.27Å; F761-F782 HydrophobicContact CD1-CB 3.64Å; F761-F782 HydrophobicContact CD1-CD2 4.14Å; F761-F782 HydrophobicContact CD1-CG 4.18Å; F761-F782 HydrophobicContact CE1-CB 3.83Å; F761-F782 AromaticContact CE1-CD2 3.69Å; F761-F782 HydrophobicContact CE1-CD2 3.69Å; F761-F782 HydrophobicContact CE1-CE2 4.49Å; F761-F782 AromaticContact CE1-CG 3.87Å; F761-F782 HydrophobicContact CE1-CG 3.87Å; F761-F782 AromaticContact CZ-CD2 3.99Å; F761-F782 HydrophobicContact CZ-CD2 3.99Å; F761-F782 HydrophobicContact CZ-CE2 4.45Å; G762-F782 PolarHBondContact N-O 3.48Å; F782-L790 HydrophobicContact CB-CD1 4.03Å; F782-L790 HydrophobicContact CB-CG 4.3Å; F782-I791 CarbonylContact C-O 3.49Å; F782-I791 VanDerWaalsContact CA-O 3.25Å; F782-I791 WeakPolarHBondContact CA-O 3.37Å; F782-Q792 HydrophobicContact CD1-CB 3.99Å; F782-Q792 HydrophobicContact CD1-CG 4.14Å; F782-Q792 HydrophobicContact CE1-CB 3.95Å; F782-Q792 HydrophobicContact CE1-CG 3.76Å; F782-Q792 HydrophobicContact CZ-CG 4.47Å; F782-L805 HydrophobicContact CD1-CD2 4.18Å; F782-L805 HydrophobicContact CE1-CD1 3.96Å; F782-L805 HydrophobicContact CE1-CD2 4.11Å; F782-L805 HydrophobicContact CG-CD2 4.43Å; F782-L805 HydrophobicContact CZ-CD1 4.36Å; F782-L805 HydrophobicContact CZ-CD2 4.31Å; F782-L812 HydrophobicContact CZ-CD1 4.24Å; F782-F813 HydrophobicContact CE2-CZ 4.44Å
783	T	96.3	Very high	94.1	Very high	17 Å²	17	46.6 Å²	46.6	10%	0.104	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124.4	177.7	40.8	0	0	0	0	111	G762 V768 L790 I791 E793	G762-T783 WeakPolarHBondContact O-CA 3.47Å; V768-T783 HydrophobicContact CG2-CG2 3.2Å; T783-L790 WeakPolarHBondContact O-CA 3.47Å; T783-I791 PolarHBondContact N-O 3Å; T783-I791 PolarHBondContact O-N 3.31Å; T783-E793 HydrophobicContact CG2-CG 4.27Å; T783-E793 VanDerWaalsContact CG2-OE1 3.31Å; T783-E793 WeakPolarHBondContact CG2-OE1 3.36Å; T783-E793 PolarHBondContact OG1-OE1 3.43Å
784	V	95.6	Very high	94	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	146.4	173.8	75.6	0	0	0	0	110.6	T645 G762 N763 E789 L790 Y802	T645-V784 HydrophobicContact CG2-CG1 4.24Å; G762-V784 PolarHBondContact O-N 2.96Å; N763-V784 WeakPolarHBondContact CA-O 3.31Å; N763-V784 HydrophobicContact CB-CG1 4.22Å; N763-V784 WeakPolarHBondContact CB-O 3.47Å; V784-E789 WeakPolarHBondContact CA-O 3.21Å; V784-L790 HydrophobicContact CB-CD1 3.76Å; V784-L790 HydrophobicContact CG2-CD1 4.23Å; V784-Y802 HydrophobicContact CB-CE2 4.38Å; V784-Y802 WeakPolarHBondContact CB-OH 3.32Å; V784-Y802 WeakPolarHBondContact CG1-OH 3.34Å; V784-Y802 HydrophobicContact CG2-CE2 3.85Å
785	N	93	Very high	93.9	Very high	45 Å²	45	49.6 Å²	49.6	24%	0.241	27%	0.267	C	S	.	.			trans	-107.2	164.9	170.4	78.4	24.8	0	0	0	111.9	H665 R787 G788 E789	H665-N785 PolarHBondContact CE1-O 3.29Å; H665-N785 VanDerWaalsContact CE1-O 3.23Å; N785-R787 PolarHBondContact O-N 3.33Å; N785-R787 WeakPolarHBondContact OD1-CA 3.49Å; N785-R787 VanDerWaalsContact OD1-CB 3.29Å; N785-R787 WeakPolarHBondContact OD1-CB 3.38Å; N785-R787 PolarHBondContact OD1-N 3.48Å; N785-G788 PolarHBondContact O-N 3.5Å; N785-E789 PolarHBondContact N-O 2.91Å; N785-E789 PolarHBondContact ND2-OE2 2.9Å; N785-E789 PolarHBondContact OD1-N 3.22Å
786	P	89.5	Confident	93.6	Very high	89 Å²	89	52.4 Å²	52.4	58%	0.578	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-7.4	-177.6	-29.1	37.5	0	0	0	116.7
787	R	89.8	Confident	93.2	Very high	218 Å²	218	57.4 Å²	57.4	82%	0.823	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-12.7	172.8	-54.1	-178.4	177.4	-138.7	-1.3	113.2	N785 E789	N785-R787 PolarHBondContact O-N 3.33Å; N785-R787 WeakPolarHBondContact OD1-CA 3.49Å; N785-R787 VanDerWaalsContact OD1-CB 3.29Å; N785-R787 WeakPolarHBondContact OD1-CB 3.38Å; N785-R787 PolarHBondContact OD1-N 3.48Å; R787-E789 HydrophobicContact CB-CG 4.34Å
788	G	91	Very high	92.9	Very high	17 Å²	17	59.2 Å²	59.2	18%	0.175	30%	0.3	C	S	.	.	S	Bend	trans	86.7	11.7	-172.8	0	0	0	0	0	114.4	H665 N785	H665-G788 PolarHBondContact CE1-N 2.95Å; H665-G788 WeakPolarHBondContact ND1-CA 3.45Å; N785-G788 PolarHBondContact O-N 3.5Å
789	E	94	Very high	92.8	Very high	53 Å²	53	60.9 Å²	60.9	25%	0.248	31%	0.306	C	S	.	.			trans	-74.9	128.3	166.9	-54	174.9	128.2	0	0	108.4	V784 N785 R787 K799	V784-E789 WeakPolarHBondContact CA-O 3.21Å; N785-E789 PolarHBondContact N-O 2.91Å; N785-E789 PolarHBondContact ND2-OE2 2.9Å; N785-E789 PolarHBondContact OD1-N 3.22Å; R787-E789 HydrophobicContact CB-CG 4.34Å; E789-K799 HydrophobicContact CB-CD 4.28Å; E789-K799 HydrophobicContact CG-CD 4.34Å; E789-K799 WeakPolarHBondContact OE1-CD 2.8Å; E789-K799 IonicContact OE1-NZ 3.3Å; E789-K799 PolarHBondContact OE1-NZ 3.18Å; E789-K799 IonicContact OE2-NZ 3.36Å; E789-K799 PolarHBondContact OE2-NZ 3.28Å
790	L	95.5	Very high	92.7	Very high	2 Å²	2	60 Å²	60	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.9	-178.8	-170.2	72.7	0	0	0	109.8	F761 F782 T783 V784 S800 Y802 L805	F761-L790 HydrophobicContact CD1-CD1 4.49Å; F761-L790 HydrophobicContact CE1-CD2 4.42Å; F782-L790 HydrophobicContact CB-CD1 4.03Å; F782-L790 HydrophobicContact CB-CG 4.3Å; T783-L790 WeakPolarHBondContact O-CA 3.47Å; V784-L790 HydrophobicContact CB-CD1 3.76Å; V784-L790 HydrophobicContact CG2-CD1 4.23Å; L790-S800 PolarHBondContact N-O 2.74Å; L790-S800 PolarHBondContact O-N 2.88Å; L790-Y802 HydrophobicContact CD1-CD1 4.26Å; L790-Y802 HydrophobicContact CD1-CE1 3.69Å; L790-Y802 HydrophobicContact CD2-CD1 3.76Å; L790-Y802 HydrophobicContact CD2-CE1 3.98Å; L790-Y802 HydrophobicContact CG-CE1 4.47Å; L790-L805 HydrophobicContact CD2-CB 4.25Å; L790-L805 HydrophobicContact CD2-CD2 3.64Å; L790-L805 HydrophobicContact CD2-CG 4.48Å
791	I	94.7	Very high	92.7	Very high	37 Å²	37	59.1 Å²	59.1	19%	0.19	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141.3	179.8	-63.2	173.7	0	0	0	108.5	F782 T783 K799	F782-I791 CarbonylContact C-O 3.49Å; F782-I791 VanDerWaalsContact CA-O 3.25Å; F782-I791 WeakPolarHBondContact CA-O 3.37Å; T783-I791 PolarHBondContact N-O 3Å; T783-I791 PolarHBondContact O-N 3.31Å; I791-K799 HydrophobicContact CG1-CG 4.28Å
792	Q	95	Very high	92.6	Very high	46 Å²	46	59.2 Å²	59.2	22%	0.215	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.4	168.7	-174.2	-179.4	26.6	0	0	107.7	S779 F782 L794 I795	S779-Q792 PolarHBondContact O-NE2 3.25Å; F782-Q792 HydrophobicContact CD1-CB 3.99Å; F782-Q792 HydrophobicContact CD1-CG 4.14Å; F782-Q792 HydrophobicContact CE1-CB 3.95Å; F782-Q792 HydrophobicContact CE1-CG 3.76Å; F782-Q792 HydrophobicContact CZ-CG 4.47Å; Q792-L794 PolarHBondContact O-N 2.89Å; Q792-L794 VanDerWaalsContact O-N 3.14Å; Q792-I795 CarbonylContact O-C 3.57Å; Q792-I795 VanDerWaalsContact O-C 3.3Å; Q792-I795 PolarHBondContact O-N 2.94Å
793	E	93.3	Very high	92.5	Very high	17 Å²	17	63.3 Å²	63.3	8%	0.079	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-61.5	-29.5	-168	-79.8	-68.2	127.9	0	0	113.9	V768 R772 E778 I781 T783 I795 K796	V768-E793 HydrophobicContact CG1-CG 3.9Å; V768-E793 WeakPolarHBondContact CG1-OE2 3.23Å; V768-E793 HydrophobicContact CG2-CG 3.82Å; R772-E793 IonicContact NH2-OE2 3.34Å; R772-E793 PolarHBondContact NH2-OE2 3.3Å; E778-E793 HydrophobicContact CB-CB 4.17Å; I781-E793 HydrophobicContact CB-CB 4.2Å; I781-E793 HydrophobicContact CB-CG 4.06Å; I781-E793 HydrophobicContact CG2-CB 4.39Å; I781-E793 HydrophobicContact CG2-CG 3.7Å; I781-E793 PolarHBondContact O-N 3.19Å; T783-E793 HydrophobicContact CG2-CG 4.27Å; T783-E793 VanDerWaalsContact CG2-OE1 3.31Å; T783-E793 WeakPolarHBondContact CG2-OE1 3.36Å; T783-E793 PolarHBondContact OG1-OE1 3.43Å; E793-I795 VanDerWaalsContact C-N 3.33Å; E793-I795 PolarHBondContact O-N 3.36Å; E793-K796 WeakPolarHBondContact O-CE 3.09Å; E793-K796 WeakPolarHBondContact O-CG 3.39Å; E793-K796 WeakPolarHBondContact OE2-CE 3.31Å; E793-K796 IonicContact OE2-NZ 3.73Å; E793-K796 PolarHBondContact OE2-NZ 2.78Å
794	L	91.2	Very high	92.4	Very high	106 Å²	106	69.4 Å²	69.4	56%	0.555	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-65.4	-32.1	172.7	-178.9	64	0	0	0	113.4	E778 Q792	E778-L794 HydrophobicContact CB-CB 4.02Å; E778-L794 PolarHBondContact O-N 2.92Å; Q792-L794 PolarHBondContact O-N 2.89Å; Q792-L794 VanDerWaalsContact O-N 3.14Å
795	I	91	Very high	92.3	Very high	75 Å²	75	69.8 Å²	69.8	39%	0.385	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-125	64.3	-170.7	-45.6	-178.3	0	0	0	109.3	Q792 E793 S797 H798	Q792-I795 CarbonylContact O-C 3.57Å; Q792-I795 VanDerWaalsContact O-C 3.3Å; Q792-I795 PolarHBondContact O-N 2.94Å; E793-I795 VanDerWaalsContact C-N 3.33Å; E793-I795 PolarHBondContact O-N 3.36Å; I795-S797 PolarHBondContact O-N 2.74Å; I795-H798 HydrophobicContact CG2-CB 3.88Å; I795-H798 PolarHBondContact O-N 3.34Å
796	K	87.4	Confident	92.4	Very high	119 Å²	119	67.8 Å²	67.8	52%	0.517	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.5	-172.5	-54.6	-165.1	174.7	-159.6	0	115.1	E793	E793-K796 WeakPolarHBondContact O-CE 3.09Å; E793-K796 WeakPolarHBondContact O-CG 3.39Å; E793-K796 WeakPolarHBondContact OE2-CE 3.31Å; E793-K796 IonicContact OE2-NZ 3.73Å; E793-K796 PolarHBondContact OE2-NZ 2.78Å
797	S	86	Confident	92.7	Very high	112 Å²	112	70.5 Å²	70.5	78%	0.783	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-24	174	51.7	0	0	0	0	113.8	I795	I795-S797 PolarHBondContact O-N 2.74Å
798	H	88.2	Confident	92.8	Very high	108 Å²	108	63.4 Å²	63.4	50%	0.5	32%	0.32	S	S	.	.			trans	-97.4	116.3	-175.1	-176.6	-90.8	0	0	0	112.1	I795	I795-H798 HydrophobicContact CG2-CB 3.88Å; I795-H798 PolarHBondContact O-N 3.34Å
799	K	92.2	Very high	93	Very high	105 Å²	105	62.9 Å²	62.9	46%	0.457	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	132.8	173.4	-62.8	-170.9	-179.6	-169.4	0	111.5	E789 I791	E789-K799 HydrophobicContact CB-CD 4.28Å; E789-K799 HydrophobicContact CG-CD 4.34Å; E789-K799 WeakPolarHBondContact OE1-CD 2.8Å; E789-K799 IonicContact OE1-NZ 3.3Å; E789-K799 PolarHBondContact OE1-NZ 3.18Å; E789-K799 IonicContact OE2-NZ 3.36Å; E789-K799 PolarHBondContact OE2-NZ 3.28Å; I791-K799 HydrophobicContact CG1-CG 4.28Å
800	S	93.6	Very high	92.9	Very high	22 Å²	22	64.9 Å²	64.9	15%	0.154	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	-167.2	174.8	-162.1	0	0	0	0	110.5	L790 R804	L790-S800 PolarHBondContact N-O 2.74Å; L790-S800 PolarHBondContact O-N 2.88Å; S800-R804 WeakPolarHBondContact OG-CB 3.37Å
801	T	95.1	Very high	92.7	Very high	46 Å²	46	71.3 Å²	71.3	28%	0.282	36%	0.357	S	S	.	.			trans	-138	165.5	169.7	63.9	0	0	0	0	109.3	Q803 R804 L805	T801-Q803 PolarHBondContact O-N 3.08Å; T801-R804 PolarHBondContact O-N 3.48Å; T801-R804 PolarHBondContact OG1-N 2.84Å; T801-L805 PolarHBondContact O-N 3.41Å
802	Y	96	Very high	92.6	Very high	2 Å²	2	71 Å²	71	1%	0.008	36%	0.355	C	S	.	.	H	α-helix	trans	-57.9	-36.2	173.8	-68.4	-58.2	0	0	0	112.8	T645 H665 I668 L671 F761 V784 L790 L805 G806	T645-Y802 PolarHBondContact O-OH 2.93Å; H665-Y802 HydrophobicContact CB-CD2 3.93Å; H665-Y802 HydrophobicContact CB-CE2 3.62Å; I668-Y802 HydrophobicContact CB-CD2 3.9Å; I668-Y802 HydrophobicContact CB-CE2 4.16Å; I668-Y802 HydrophobicContact CB-CG 4.19Å; I668-Y802 HydrophobicContact CD1-CD2 4.41Å; I668-Y802 HydrophobicContact CD1-CE1 4.23Å; I668-Y802 HydrophobicContact CD1-CE2 3.81Å; I668-Y802 HydrophobicContact CG1-CD1 4.24Å; I668-Y802 HydrophobicContact CG1-CD2 4.09Å; I668-Y802 HydrophobicContact CG1-CE1 4.12Å; I668-Y802 HydrophobicContact CG1-CE2 3.99Å; I668-Y802 HydrophobicContact CG1-CG 4.21Å; L671-Y802 HydrophobicContact CD2-CD1 3.54Å; L671-Y802 HydrophobicContact CD2-CE1 4.36Å; L671-Y802 HydrophobicContact CD2-CG 4.31Å; F761-Y802 AromaticContact CD1-CE1 3.89Å; F761-Y802 HydrophobicContact CD1-CE1 3.89Å; F761-Y802 HydrophobicContact CE1-CE1 4.15Å; V784-Y802 HydrophobicContact CB-CE2 4.38Å; V784-Y802 WeakPolarHBondContact CB-OH 3.32Å; V784-Y802 WeakPolarHBondContact CG1-OH 3.34Å; V784-Y802 HydrophobicContact CG2-CE2 3.85Å; L790-Y802 HydrophobicContact CD1-CD1 4.26Å; L790-Y802 HydrophobicContact CD1-CE1 3.69Å; L790-Y802 HydrophobicContact CD2-CD1 3.76Å; L790-Y802 HydrophobicContact CD2-CE1 3.98Å; L790-Y802 HydrophobicContact CG-CE1 4.47Å; Y802-L805 PolarHBondContact O-N 3.28Å; Y802-G806 PolarHBondContact O-N 2.76Å
803	Q	94	Very high	92.6	Very high	90 Å²	90	68.8 Å²	68.8	42%	0.421	35%	0.345	S	S	.	.	H	α-helix	trans	-61	-51.2	175.9	-65.8	177.1	-23.1	0	0	111.6	T801 L805 G806 E807	T801-Q803 PolarHBondContact O-N 3.08Å; Q803-L805 PolarHBondContact O-N 3.16Å; Q803-G806 CarbonylContact O-C 3.58Å; Q803-G806 VanDerWaalsContact O-CA 3.32Å; Q803-G806 WeakPolarHBondContact O-CA 3.41Å; Q803-G806 PolarHBondContact O-N 2.81Å; Q803-E807 PolarHBondContact O-N 3.33Å
804	R	94.3	Very high	92.7	Very high	145 Å²	145	70.6 Å²	70.6	55%	0.547	36%	0.358	S	S	.	.	H	α-helix	trans	-64	-38.1	176.9	-75.3	-177.5	174.6	-168.4	-2.6	113	S800 T801 G806 E807 V808	S800-R804 WeakPolarHBondContact OG-CB 3.37Å; T801-R804 PolarHBondContact O-N 3.48Å; T801-R804 PolarHBondContact OG1-N 2.84Å; R804-G806 PolarHBondContact O-N 3.45Å; R804-E807 WeakPolarHBondContact O-CB 3.37Å; R804-E807 PolarHBondContact O-N 2.76Å; R804-E807 VanDerWaalsContact O-N 3.08Å; R804-V808 PolarHBondContact O-N 3.46Å
805	L	94.5	Very high	92.7	Very high	11 Å²	11	67.1 Å²	67.1	6%	0.058	34%	0.342	C	S	.	.	H	α-helix	trans	-63.1	-31.1	173	-161.3	68.5	0	0	0	111.4	L671 F761 F782 L790 T801 Y802 Q803 E807 V808 V809 L812	L671-L805 HydrophobicContact CD1-CB 4.26Å; L671-L805 HydrophobicContact CD1-CD2 4.47Å; L671-L805 HydrophobicContact CD1-CG 4.3Å; L671-L805 HydrophobicContact CD2-CB 4.34Å; L671-L805 HydrophobicContact CD2-CD2 3.95Å; L671-L805 HydrophobicContact CD2-CG 4.5Å; F761-L805 HydrophobicContact CE1-CD2 3.72Å; F761-L805 HydrophobicContact CZ-CD2 3.99Å; F782-L805 HydrophobicContact CD1-CD2 4.18Å; F782-L805 HydrophobicContact CE1-CD1 3.96Å; F782-L805 HydrophobicContact CE1-CD2 4.11Å; F782-L805 HydrophobicContact CG-CD2 4.43Å; F782-L805 HydrophobicContact CZ-CD1 4.36Å; F782-L805 HydrophobicContact CZ-CD2 4.31Å; L790-L805 HydrophobicContact CD2-CB 4.25Å; L790-L805 HydrophobicContact CD2-CD2 3.64Å; L790-L805 HydrophobicContact CD2-CG 4.48Å; T801-L805 PolarHBondContact O-N 3.41Å; Y802-L805 PolarHBondContact O-N 3.28Å; Q803-L805 PolarHBondContact O-N 3.16Å; L805-E807 VanDerWaalsContact C-N 3.29Å; L805-E807 PolarHBondContact O-N 3.08Å; L805-V808 HydrophobicContact CD1-CG2 4.26Å; L805-V808 CarbonylContact O-C 3.56Å; L805-V808 PolarHBondContact O-N 3.21Å; L805-V809 PolarHBondContact O-N 3.48Å; L805-L812 HydrophobicContact CD1-CD1 3.35Å; L805-L812 HydrophobicContact CG-CD1 4.24Å
806	G	94.4	Very high	92.5	Very high	4 Å²	4	66.6 Å²	66.6	4%	0.041	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-9.4	173.8	0	0	0	0	0	115.1	K674 Y802 Q803 R804	K674-G806 PolarHBondContact NZ-O 3.44Å; Y802-G806 PolarHBondContact O-N 2.76Å; Q803-G806 CarbonylContact O-C 3.58Å; Q803-G806 VanDerWaalsContact O-CA 3.32Å; Q803-G806 WeakPolarHBondContact O-CA 3.41Å; Q803-G806 PolarHBondContact O-N 2.81Å; R804-G806 PolarHBondContact O-N 3.45Å
807	E	94.8	Very high	91.6	Very high	145 Å²	145	67.2 Å²	67.2	68%	0.678	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-38	169.9	-64.6	158	-165.9	0	0	110.4	Q803 R804 L805	Q803-E807 PolarHBondContact O-N 3.33Å; R804-E807 WeakPolarHBondContact O-CB 3.37Å; R804-E807 PolarHBondContact O-N 2.76Å; R804-E807 VanDerWaalsContact O-N 3.08Å; L805-E807 VanDerWaalsContact C-N 3.29Å; L805-E807 PolarHBondContact O-N 3.08Å
808	V	93.4	Very high	90	Very high	69 Å²	69	68.9 Å²	68.9	42%	0.418	34%	0.344	S	S	.	.	S	Bend	trans	-97.3	18.6	178.9	-60.9	0	0	0	0	113.7	R804 L805 E810 L811 L812	R804-V808 PolarHBondContact O-N 3.46Å; L805-V808 HydrophobicContact CD1-CG2 4.26Å; L805-V808 CarbonylContact O-C 3.56Å; L805-V808 PolarHBondContact O-N 3.21Å; V808-E810 VanDerWaalsContact C-N 3.32Å; V808-E810 PolarHBondContact O-N 3.11Å; V808-L811 PolarHBondContact O-N 3.22Å; V808-L811 VanDerWaalsContact O-N 3.11Å; V808-L812 HydrophobicContact CG2-CD1 4.11Å
809	V	94.1	Very high	88	Confident	7 Å²	7	66.1 Å²	66.1	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-57.5	-41	-172.5	67	0	0	0	0	112.6	L671 K674 I675 L805 L811 L812 F813	L671-V809 HydrophobicContact CD1-CG2 4.43Å; K674-V809 HydrophobicContact CB-CG1 4.24Å; K674-V809 HydrophobicContact CB-CG2 4.12Å; K674-V809 HydrophobicContact CD-CG1 4.22Å; I675-V809 HydrophobicContact CG1-CG2 3.72Å; L805-V809 PolarHBondContact O-N 3.48Å; V809-L811 PolarHBondContact O-N 3.41Å; V809-L812 PolarHBondContact O-N 3.27Å; V809-L812 VanDerWaalsContact O-N 3.16Å; V809-F813 HydrophobicContact CG2-CB 4.22Å; V809-F813 HydrophobicContact CG2-CD2 4.22Å; V809-F813 WeakPolarHBondContact O-CA 3.38Å; V809-F813 PolarHBondContact O-N 3.18Å
810	E	92.3	Very high	85.6	Confident	95 Å²	95	67.5 Å²	67.5	44%	0.444	37%	0.365	S	S	.	.	H	α-helix	trans	-61.9	-28.4	179.8	-63	-54.1	114.8	0	0	114	N678 V808 P814 P815	N678-E810 PolarHBondContact ND2-OE1 2.82Å; V808-E810 VanDerWaalsContact C-N 3.32Å; V808-E810 PolarHBondContact O-N 3.11Å; E810-P814 WeakPolarHBondContact O-CA 3.43Å; E810-P815 VanDerWaalsContact OE2-CD 3.31Å; E810-P815 WeakPolarHBondContact OE2-CD 3.45Å
811	L	91.9	Very high	83	Confident	137 Å²	137	72.2 Å²	72.2	72%	0.717	40%	0.398	S	S	*	.	H	α-helix	trans	-78.7	-29.9	179.9	-178.9	61.7	0	0	0	111.9	V808 V809	V808-L811 PolarHBondContact O-N 3.22Å; V808-L811 VanDerWaalsContact O-N 3.11Å; V809-L811 PolarHBondContact O-N 3.41Å
812	L	91.7	Very high	80.6	Confident	29 Å²	29	74.1 Å²	74.1	15%	0.152	41%	0.409	C	S	.	.	H	α-helix	trans	-100.1	-35.5	-175.8	-63.7	174.4	0	0	0	112.2	H758 R780 F782 L805 V808 V809 P814	H758-L812 PolarHBondContact NE2-O 2.9Å; R780-L812 PolarHBondContact NH1-O 2.75Å; F782-L812 HydrophobicContact CZ-CD1 4.24Å; L805-L812 HydrophobicContact CD1-CD1 3.35Å; L805-L812 HydrophobicContact CG-CD1 4.24Å; V808-L812 HydrophobicContact CG2-CD1 4.11Å; V809-L812 PolarHBondContact O-N 3.27Å; V809-L812 VanDerWaalsContact O-N 3.16Å; L812-P814 WeakPolarHBondContact O-CD 3.41Å
813	F	95	Very high	77.9	Confident	1 Å²	1	79.7 Å²	79.7	0%	0.004	44%	0.439	C	S	.	.	S	Bend	trans	-125.5	63.3	-178.6	-59.7	-90.9	0	0	0	109	V638 I675 N678 Y680 H758 A759 F761 F782 V809	V638-F813 HydrophobicContact CG1-CE1 4.43Å; V638-F813 HydrophobicContact CG2-CD1 4.18Å; V638-F813 HydrophobicContact CG2-CE1 3.74Å; I675-F813 HydrophobicContact CB-CD1 4.47Å; I675-F813 HydrophobicContact CB-CG 4.47Å; I675-F813 HydrophobicContact CD1-CD1 4.18Å; I675-F813 HydrophobicContact CD1-CD2 3.84Å; I675-F813 HydrophobicContact CD1-CE1 3.98Å; I675-F813 HydrophobicContact CD1-CE2 3.64Å; I675-F813 HydrophobicContact CD1-CG 4.11Å; I675-F813 HydrophobicContact CD1-CZ 3.71Å; I675-F813 HydrophobicContact CG1-CB 4.19Å; I675-F813 HydrophobicContact CG1-CD1 4.06Å; I675-F813 HydrophobicContact CG1-CD2 3.77Å; I675-F813 HydrophobicContact CG1-CE1 4.37Å; I675-F813 HydrophobicContact CG1-CE2 4.13Å; I675-F813 HydrophobicContact CG1-CG 3.74Å; I675-F813 HydrophobicContact CG1-CZ 4.41Å; I675-F813 HydrophobicContact CG2-CB 4.45Å; I675-F813 HydrophobicContact CG2-CD1 3.65Å; I675-F813 HydrophobicContact CG2-CE1 4.05Å; I675-F813 HydrophobicContact CG2-CG 4.09Å; N678-F813 PolarHBondContact ND2-O 3.23Å; Y680-F813 HydrophobicContact CD2-CB 4.13Å; Y680-F813 HydrophobicContact CD2-CD1 4.34Å; Y680-F813 HydrophobicContact CE1-CD1 4.48Å; Y680-F813 HydrophobicContact CE2-CB 3.66Å; Y680-F813 HydrophobicContact CE2-CD1 4.27Å; Y680-F813 HydrophobicContact CE2-CG 4.49Å; Y680-F813 HydrophobicContact CG-CD1 4.48Å; H758-F813 AromaticContact CD2-CD1 3.58Å; H758-F813 AromaticContact CD2-CE1 3.72Å; H758-F813 AromaticContact NE2-CD1 3.84Å; A759-F813 HydrophobicContact CB-CE1 3.58Å; A759-F813 HydrophobicContact CB-CZ 3.65Å; F761-F813 HydrophobicContact CE2-CZ 4.25Å; F761-F813 HydrophobicContact CZ-CZ 4.14Å; F782-F813 HydrophobicContact CE2-CZ 4.44Å; V809-F813 HydrophobicContact CG2-CB 4.22Å; V809-F813 HydrophobicContact CG2-CD2 4.22Å; V809-F813 WeakPolarHBondContact O-CA 3.38Å; V809-F813 PolarHBondContact O-N 3.18Å
814	P	94.7	Very high	75.8	Confident	54 Å²	54	79.8 Å²	79.8	35%	0.351	44%	0.442	S	S	.	.			trans	-60.3	144.7	179.4	27	-35.8	0	0	0	110.8	Y680 E810 L812 V816	Y680-P814 WeakPolarHBondContact CE2-O 3.42Å; Y680-P814 PolarHBondContact OH-O 3.16Å; E810-P814 WeakPolarHBondContact O-CA 3.43Å; L812-P814 WeakPolarHBondContact O-CD 3.41Å; P814-V816 PolarHBondContact O-N 3.2Å; P814-V816 VanDerWaalsContact O-N 3.16Å
815	P	92.7	Very high	73.6	Confident	34 Å²	34	77.1 Å²	77.1	22%	0.221	45%	0.451	C	S	.	.			trans	-52.8	119.6	-179.4	-29.7	34.9	0	0	0	113.3	N678 E810 V817	N678-P815 HydrophobicContact CB-CG 4.36Å; N678-P815 WeakPolarHBondContact O-CA 3.31Å; E810-P815 VanDerWaalsContact OE2-CD 3.31Å; E810-P815 WeakPolarHBondContact OE2-CD 3.45Å; P815-V817 VanDerWaalsContact C-N 3.31Å; P815-V817 PolarHBondContact O-N 3.16Å
816	V	86.3	Confident	71.6	Confident	63 Å²	63	78.3 Å²	78.3	38%	0.382	46%	0.461	S	S	.	.	S	Bend	trans	-64.7	-37.3	-179	179.5	0	0	0	0	111	K636 N678 Y680 P814 R818	K636-V816 HydrophobicContact CB-CG2 4.36Å; K636-V816 HydrophobicContact CG-CG1 4.4Å; K636-V816 HydrophobicContact CG-CG2 4.19Å; N678-V816 PolarHBondContact O-N 2.88Å; Y680-V816 HydrophobicContact CD1-CG2 4.26Å; Y680-V816 HydrophobicContact CD2-CG2 4.07Å; Y680-V816 HydrophobicContact CE1-CG2 3.96Å; Y680-V816 HydrophobicContact CE2-CG2 3.77Å; Y680-V816 HydrophobicContact CG-CG2 4.32Å; P814-V816 PolarHBondContact O-N 3.2Å; P814-V816 VanDerWaalsContact O-N 3.16Å; V816-R818 PolarHBondContact O-N 2.71Å; V816-R818 VanDerWaalsContact O-N 3.08Å
817	V	68.5	Low	69.9	Low	132 Å²	132	82.7 Å²	82.7	80%	0.8	49%	0.488	S	S	*	.			trans	-86.2	79	-179.8	-169.9	0	0	0	0	110.3	P815	P815-V817 VanDerWaalsContact C-N 3.31Å; P815-V817 PolarHBondContact O-N 3.16Å
818	R	51.9	Low	68	Low	147 Å²	147	81.9 Å²	81.9	56%	0.555	48%	0.484	S	S	*	.			trans	-122.4	138.8	158.3	-62.9	-175.2	-175.1	-178.2	3.3	108.4	V816 T822	V816-R818 PolarHBondContact O-N 2.71Å; V816-R818 VanDerWaalsContact O-N 3.08Å; R818-T822 WeakPolarHBondContact CB-OG1 3.31Å
819	G	46	Very low	66.3	Low	50 Å²	50	84.8 Å²	84.8	52%	0.515	49%	0.489	S	S	.	.			trans	-63.7	174.4	-177.4	0	0	0	0	0	113.7	S821 T822	G819-S821 PolarHBondContact O-N 3.15Å; G819-T822 PolarHBondContact O-N 3.41Å
820	P	42.8	Very low	64.8	Low	135 Å²	135	85.7 Å²	85.7	88%	0.877	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	16.6	-169.2	27.6	-36.9	0	0	0	116.3
821	S	39.4	Very low	63.4	Low	120 Å²	120	87.4 Å²	87.4	84%	0.839	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-6.7	177.2	-50.4	0	0	0	0	114.1	G819	G819-S821 PolarHBondContact O-N 3.15Å
822	T	43.4	Very low	61.8	Low	86 Å²	86	87 Å²	87	53%	0.528	51%	0.505	S	S	.	.	S	Bend	trans	-131.3	5.2	174.9	59.2	0	0	0	0	114.3	R818 G819 L824	R818-T822 WeakPolarHBondContact CB-OG1 3.31Å; G819-T822 PolarHBondContact O-N 3.41Å; T822-L824 PolarHBondContact O-N 3.19Å
823	D	40.7	Very low	60.4	Low	119 Å²	119	88.4 Å²	88.4	64%	0.636	52%	0.518	S	S	*	.			trans	-76	106.6	-177.7	-173.4	21.4	0	0	0	111	A825	D823-A825 VanDerWaalsContact C-N 3.28Å; D823-A825 PolarHBondContact O-N 2.76Å; D823-A825 VanDerWaalsContact O-N 3.09Å
824	L	48.8	Very low	58.8	Low	93 Å²	93	94.4 Å²	94.4	49%	0.487	54%	0.541	S	S	.	.			trans	-77.6	88.7	161	-105.7	82.7	0	0	0	108	T822 S826	T822-L824 PolarHBondContact O-N 3.19Å; L824-S826 CarbonylContact O-C 3.48Å; L824-S826 PolarHBondContact O-N 2.94Å
825	A	49.2	Very low	57.3	Low	88 Å²	88	100.5 Å²	100.5	73%	0.727	56%	0.557	S	S	*	*	S	Bend	trans	-51.8	-12.8	177	0	0	0	0	0	114.4	D823	D823-A825 VanDerWaalsContact C-N 3.28Å; D823-A825 PolarHBondContact O-N 2.76Å; D823-A825 VanDerWaalsContact O-N 3.09Å
826	S	51	Low	55.8	Low	37 Å²	37	107.2 Å²	107.2	26%	0.259	58%	0.578	S	S	.	*	S	Bend	trans	-145.6	107.5	164.9	2.1	0	0	0	0	109	L824 E828 Y829	L824-S826 CarbonylContact O-C 3.48Å; L824-S826 PolarHBondContact O-N 2.94Å; S826-E828 WeakPolarHBondContact CB-OE1 2.99Å; S826-E828 PolarHBondContact O-N 3.08Å; S826-Y829 PolarHBondContact O-N 3.09Å; S826-Y829 WeakPolarHBondContact OG-CD2 3.37Å
827	P	59.1	Low	54.6	Low	95 Å²	95	113.5 Å²	113.5	62%	0.617	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-70.9	-10.2	-175.3	28.1	-35.3	0	0	0	113.6	Y829 S830 S833	P827-Y829 PolarHBondContact O-N 3.47Å; P827-S830 WeakPolarHBondContact O-CB 3.37Å; P827-S830 PolarHBondContact O-N 2.82Å; P827-S833 PolarHBondContact O-OG 3.21Å
828	E	55.8	Low	54.6	Low	129 Å²	129	113 Å²	113	60%	0.603	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-63.5	-18.4	164.3	65.7	-136.6	129.4	0	0	113.2	S826 S833	S826-E828 WeakPolarHBondContact CB-OE1 2.99Å; S826-E828 PolarHBondContact O-N 3.08Å; E828-S833 WeakPolarHBondContact O-CB 3.06Å
829	Y	57.6	Low	55.4	Low	129 Å²	129	113.8 Å²	113.8	51%	0.506	62%	0.615	S	S	.	*	G	3₁₀ helix	trans	-92.5	15.4	171.9	-61.1	-61.1	0	0	0	114.5	S826 P827 Y834	S826-Y829 PolarHBondContact O-N 3.09Å; S826-Y829 WeakPolarHBondContact OG-CD2 3.37Å; P827-Y829 PolarHBondContact O-N 3.47Å; Y829-Y834 HydrophobicContact CD1-CD1 4.16Å; Y829-Y834 AromaticContact CD1-CD2 3.52Å; Y829-Y834 HydrophobicContact CD1-CD2 3.52Å; Y829-Y834 HydrophobicContact CD1-CE1 4.35Å; Y829-Y834 AromaticContact CD1-CE2 3.75Å; Y829-Y834 HydrophobicContact CD1-CE2 3.75Å; Y829-Y834 AromaticContact CD1-CG 3.74Å; Y829-Y834 HydrophobicContact CD1-CG 3.74Å; Y829-Y834 AromaticContact CE1-CD2 3.81Å; Y829-Y834 HydrophobicContact CE1-CD2 3.81Å; Y829-Y834 AromaticContact CE1-CE2 3.7Å; Y829-Y834 HydrophobicContact CE1-CE2 3.7Å; Y829-Y834 HydrophobicContact CE1-CG 4.48Å
830	S	62.7	Low	56.6	Low	26 Å²	26	116.4 Å²	116.4	18%	0.182	62%	0.623	C	S	.	*	S	Bend	trans	-68.4	160.6	179.2	94.4	0	0	0	0	114	P827 L832 S833 Y834	P827-S830 WeakPolarHBondContact O-CB 3.37Å; P827-S830 PolarHBondContact O-N 2.82Å; S830-L832 PolarHBondContact O-N 3.19Å; S830-L832 PolarHBondContact OG-N 2.74Å; S830-S833 PolarHBondContact O-N 2.89Å; S830-S833 PolarHBondContact OG-N 3.06Å; S830-S833 PolarHBondContact OG-OG 3.36Å; S830-Y834 PolarHBondContact O-N 3.21Å
831	N	61.5	Low	58.1	Low	131 Å²	131	120 Å²	120	70%	0.701	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-19.2	171.7	-81.9	-3.1	0	0	0	114	W835	N831-W835 PolarHBondContact OD1-NE1 2.9Å
832	L	58.7	Low	59.5	Low	128 Å²	128	117.4 Å²	117.4	67%	0.67	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-21.8	174.7	-60.2	171.8	0	0	0	112.5	S830	S830-L832 PolarHBondContact O-N 3.19Å; S830-L832 PolarHBondContact OG-N 2.74Å
833	S	62	Low	61.1	Low	60 Å²	60	116.6 Å²	116.6	42%	0.42	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.4	-48.8	-168.2	-49	0	0	0	0	113.1	P827 E828 S830	P827-S833 PolarHBondContact O-OG 3.21Å; E828-S833 WeakPolarHBondContact O-CB 3.06Å; S830-S833 PolarHBondContact O-N 2.89Å; S830-S833 PolarHBondContact OG-N 3.06Å; S830-S833 PolarHBondContact OG-OG 3.36Å
834	Y	61	Low	62.5	Low	126 Å²	126	118.8 Å²	118.8	49%	0.494	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.6	-36.1	-161	176.4	-112.3	0	0	0	115.5	Y829 S830 R836	Y829-Y834 HydrophobicContact CD1-CD1 4.16Å; Y829-Y834 AromaticContact CD1-CD2 3.52Å; Y829-Y834 HydrophobicContact CD1-CD2 3.52Å; Y829-Y834 HydrophobicContact CD1-CE1 4.35Å; Y829-Y834 AromaticContact CD1-CE2 3.75Å; Y829-Y834 HydrophobicContact CD1-CE2 3.75Å; Y829-Y834 AromaticContact CD1-CG 3.74Å; Y829-Y834 HydrophobicContact CD1-CG 3.74Å; Y829-Y834 AromaticContact CE1-CD2 3.81Å; Y829-Y834 HydrophobicContact CE1-CD2 3.81Å; Y829-Y834 AromaticContact CE1-CE2 3.7Å; Y829-Y834 HydrophobicContact CE1-CE2 3.7Å; Y829-Y834 HydrophobicContact CE1-CG 4.48Å; S830-Y834 PolarHBondContact O-N 3.21Å; Y834-R836 PolarHBondContact O-N 2.94Å
835	W	64.7	Low	63.5	Low	182 Å²	182	121.7 Å²	121.7	69%	0.689	61%	0.607	S	S	*	*	S	Bend	trans	-73.4	-4	176.5	-53.4	126.7	0	0	0	113.6	N831	N831-W835 PolarHBondContact OD1-NE1 2.9Å
836	R	60.5	Low	64.6	Low	175 Å²	175	121 Å²	121	66%	0.66	60%	0.601	S	S	*	*	S	Bend	trans	-86.5	124.8	167.9	-66.7	-176	175.8	-164	-2.4	108.1	Y834	Y834-R836 PolarHBondContact O-N 2.94Å
837	K	62.1	Low	65.1	Low	195 Å²	195	125 Å²	125	85%	0.848	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-53.2	135.5	166	-66.7	-177.4	179	-179.2	0	108.1
838	P	67.3	Low	65	Low	121 Å²	121	124.5 Å²	124.5	79%	0.786	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-55.4	144.6	168.9	25.6	-33.6	0	0	0	108.6
839	L	68.8	Low	65.5	Low	165 Å²	165	124.3 Å²	124.3	86%	0.864	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-56.7	134.7	175.8	-66.9	174.4	0	0	0	108.4
840	P	72.5	Confident	65.9	Low	105 Å²	105	124.1 Å²	124.1	68%	0.682	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-57.8	146.6	175.5	26.9	-34.3	0	0	0	109	V842	P840-V842 PolarHBondContact O-N 3.33Å
841	Y	72.6	Confident	66.1	Low	209 Å²	209	129.5 Å²	129.5	82%	0.82	66%	0.655	S	S	*	*			trans	-61.6	108.3	175.5	-176.3	-92.2	0	0	0	108.8	D843	Y841-D843 HydrophobicContact CD1-CB 4.28Å; Y841-D843 HydrophobicContact CE1-CB 3.9Å; Y841-D843 PolarHBondContact O-N 3.07Å
842	V	70.4	Confident	66.3	Low	66 Å²	66	129.4 Å²	129.4	40%	0.4	65%	0.652	S	S	.	*			trans	-87.2	104.1	172.8	176.9	0	0	0	0	106.5	P840 F844 L847	P840-V842 PolarHBondContact O-N 3.33Å; V842-F844 HydrophobicContact CG1-CD1 4.39Å; V842-F844 HydrophobicContact CG1-CE1 4.18Å; V842-F844 HydrophobicContact CG1-CZ 4.26Å; V842-F844 WeakPolarHBondContact O-CD2 3.32Å; V842-F844 PolarHBondContact O-N 2.72Å; V842-L847 HydrophobicContact CG1-CD1 3.4Å; V842-L847 VanDerWaalsContact CG1-CD1 3.4Å
843	D	75.9	Confident	66.8	Low	69 Å²	69	129.5 Å²	129.5	37%	0.369	65%	0.651	S	S	.	*			trans	-70.6	115.4	166.9	-176.1	-0.8	0	0	0	108.7	Y841 E845 A846	Y841-D843 HydrophobicContact CD1-CB 4.28Å; Y841-D843 HydrophobicContact CE1-CB 3.9Å; Y841-D843 PolarHBondContact O-N 3.07Å; D843-E845 VanDerWaalsContact C-N 3.32Å; D843-E845 PolarHBondContact OD1-N 2.95Å; D843-A846 HydrophobicContact CB-CB 3.86Å; D843-A846 PolarHBondContact O-N 3.19Å
844	F	71	Confident	67.1	Low	165 Å²	165	134.1 Å²	134.1	72%	0.724	67%	0.667	S	S	*	*	S	Bend	trans	-78.2	-17.2	178.9	-68.1	-80.6	0	0	0	112.6	V842	V842-F844 HydrophobicContact CG1-CD1 4.39Å; V842-F844 HydrophobicContact CG1-CE1 4.18Å; V842-F844 HydrophobicContact CG1-CZ 4.26Å; V842-F844 WeakPolarHBondContact O-CD2 3.32Å; V842-F844 PolarHBondContact O-N 2.72Å
845	E	70	Confident	67.6	Low	154 Å²	154	134.7 Å²	134.7	72%	0.72	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-78.9	-24.4	171.1	-57	-163.7	162.5	0	0	111.3	D843 L847	D843-E845 VanDerWaalsContact C-N 3.32Å; D843-E845 PolarHBondContact OD1-N 2.95Å; E845-L847 VanDerWaalsContact C-N 3.29Å; E845-L847 PolarHBondContact O-N 2.88Å
846	A	70.7	Confident	67.8	Low	73 Å²	73	131.1 Å²	131.1	60%	0.603	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-83.5	4.3	171.6	0	0	0	0	0	114.5	D843	D843-A846 HydrophobicContact CB-CB 3.86Å; D843-A846 PolarHBondContact O-N 3.19Å
847	L	62.7	Low	68.4	Low	122 Å²	122	127.4 Å²	127.4	64%	0.639	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-121.8	4.4	179.1	-80.5	178.8	0	0	0	114.3	V842 E845	V842-L847 HydrophobicContact CG1-CD1 3.4Å; V842-L847 VanDerWaalsContact CG1-CD1 3.4Å; E845-L847 VanDerWaalsContact C-N 3.29Å; E845-L847 PolarHBondContact O-N 2.88Å
848	A	57.2	Low	69	Low	85 Å²	85	121.3 Å²	121.3	70%	0.702	66%	0.664	S	S	*	*			trans	-89.1	0	178.4	0	0	0	0	0	112.9	K192	K192-A848 WeakPolarHBondContact CA-O 3.33Å; K192-A848 PolarHBondContact N-O 3.3Å

Retrieved 848 of 848 residues in 276.1 ms (Link to these results)

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