A0A3Q0KLP2_SCHMA Loading...

Sodium/potassium-transporting ATPase subunit alpha

This is the catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of sodium and potassium ions across the plasma membrane. This action creates the electrochemical gradient of sodium and potassium ions, providing the energy for active transport of various nutrients.

AlphaFold DB , UniProt , Accession A0A3Q0KLP2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,019 aa.

						>A0A3Q0KLP2_SCHMA|A0A3Q0KLP2
MGVPNARGDNYRMATEKKSKKNPKKDDLNELKQELDMDEHRISLDELYSRLSTDPQSGLTAEQAKTRLERDGPNALTPPKTTPEWVKFCKTLFGGFSLLLWIGAVLCFIAFSIESGTHEDPPKDNLYLGIVLSVVVVVTGCFSYYQESKSSRIMESFKKMIPQTALVIRGGVKIEAPAEALVVGDLIDVKCGDRVPADIRIISASSFKVDNSALTGESEPQSRTSEYTNENPLETKNLAFFSTNAVDGTCRGIVVSTGDRTVMGRIANLASGLQIGQTPINKEINHFIHLITSVAVFLGVSFFVIAFILGYHWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMASKNCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTIAHMWFDNKIFDADTTDDQSVATYDKNSPTWIALARIGMLCNRAEFKVGEENKPVLKRECNGDASESALLKCVELSFGGVTEYRRKNPKVAEIPFNSTNKYQLSIHETNDSDERYLLVMKGAPERILDRCGTILINGKEEVMDESMRENFNSAYLELGGMGERVLGFCDYRLPLDTYKKGYPFNVDEPNFPLTNLRFVGLMSMIDPPRAAVPDAVAKCRSAGIKVIMVTGDHPITAKAIAKGVGIISESSKTVEDIAAERGIPVRQVNPRDAQACVIHGSDLREMTPAQIDDILLNHSEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDSPALKQADIGVAMGIAGSDVSKQAADMILLDDNFASIVTGVEEGRIIFDNLKKSIAYTLTSNIPEITPFLVYILADIPLPLGTITILCIDLGTDMIPAISLAYEEAEADIMKRMPRDPLHDKLVNERLISMAYGQIGMIQASGGFFVYFVIMAENGFWPSRLLGIRREWDSKAINDLADSYGQEWTYNQRKRLEYTCHTAFFASIVIVQWTDLMICKTRRNSIFQQGMWNHHLTFGLFFETTLAIFLSYCPGLDKGLRMMPMRFTWWLPGLPFSFLIFVYDEVRKFLLRRLPPGSWLEKETYY
					

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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	40.6	Very low	38.9	Very low	253 Å²	253	152.9 Å²	152.9	100%	1.246	85%	0.852	S	S	*	*				0	117.2	0	-58.8	178.4	-167.8	0	0	105.9
2	G	38.4	Very low	38.7	Very low	70 Å²	70	158.9 Å²	158.9	72%	0.722	85%	0.852	S	S	*	*			cis	147.1	87.7	14.1	0	0	0	0	0	106.8
3	V	40.3	Very low	38.3	Very low	149 Å²	149	161.5 Å²	161.5	90%	0.903	86%	0.859	S	S	*	*			trans	69.3	147.2	146.3	174.6	0	0	0	0	118.9
4	P	46.7	Very low	38.1	Very low	103 Å²	103	156.3 Å²	156.3	67%	0.669	85%	0.851	S	S	*	*			trans	-126	-166.7	-140.4	43.1	-26.7	0	0	0	115
5	N	36.3	Very low	37.9	Very low	157 Å²	157	154.7 Å²	154.7	84%	0.84	85%	0.848	S	S	*	*			trans	37.2	126.2	148.2	-79	-5.8	0	0	0	120.9
6	A	38.1	Very low	37.7	Very low	92 Å²	92	156.6 Å²	156.6	76%	0.76	85%	0.849	S	S	*	*				151.6	140.8	118.1	0	0	0	0	0	112.7
7	R	39.1	Very low	37.5	Very low	258 Å²	258	159 Å²	159	97%	0.974	85%	0.85	S	S	*	*			trans	129.3	117.3	156.7	-74	169.1	-178.1	-170.3	1.5	110.9
8	G	36.5	Very low	37.3	Very low	76 Å²	76	161.6 Å²	161.6	78%	0.784	85%	0.852	S	S	*	*			cis	-173.9	145.1	2.8	0	0	0	0	0	110.3
9	D	38	Very low	37.2	Very low	146 Å²	146	157.8 Å²	157.8	78%	0.781	84%	0.84	S	S	*	*			trans	-60.5	134.4	167	-68.2	-53	0	0	0	111
10	N	36.5	Very low	37	Very low	152 Å²	152	160.3 Å²	160.3	81%	0.813	84%	0.843	S	S	*	*			trans	-142.2	74.3	151.4	-100.5	-29.9	0	0	0	108.2	R12	N10-R12 PolarHBondContact O-N 2.95Å; N10-R12 VanDerWaalsContact O-N 3.1Å
11	Y	37.7	Very low	36.9	Very low	226 Å²	226	160 Å²	160	89%	0.886	84%	0.835	S	S	*	*			trans	-62.8	98.4	153.8	-98.9	-94	0	0	0	108
12	R	35.7	Very low	37.1	Very low	225 Å²	225	153 Å²	153	85%	0.849	80%	0.803	S	S	*	*			trans	-106	109.5	158.8	-89.1	-175.2	166.5	177	-3.1	108.1	N10 A14	N10-R12 PolarHBondContact O-N 2.95Å; N10-R12 VanDerWaalsContact O-N 3.1Å; R12-A14 VanDerWaalsContact C-N 3.34Å; R12-A14 PolarHBondContact O-N 3.4Å
13	M	33.9	Very low	37.3	Very low	192 Å²	192	154.4 Å²	154.4	95%	0.946	80%	0.799	S	S	*	*			trans	-47.7	97	159.4	-74.6	179	167.8	0	0	109.3
14	A	36	Very low	38	Very low	89 Å²	89	155 Å²	155	74%	0.736	79%	0.79	S	S	*	*			trans	-84	105.4	155.3	0	0	0	0	0	105.6	R12 E16	R12-A14 VanDerWaalsContact C-N 3.34Å; R12-A14 PolarHBondContact O-N 3.4Å; A14-E16 PolarHBondContact O-N 3.29Å
15	T	35.5	Very low	38.5	Very low	133 Å²	133	157 Å²	157	82%	0.816	79%	0.788	S	S	*	*			trans	-42.5	107.5	166.4	39.1	0	0	0	0	109.6	K17	T15-K17 VanDerWaalsContact C-N 3.32Å; T15-K17 PolarHBondContact O-N 3.02Å
16	E	33.4	Very low	39.5	Very low	185 Å²	185	153.2 Å²	153.2	86%	0.864	77%	0.768	S	S	*	*			trans	-57.7	99.5	164.8	-79.1	-174.7	150.3	0	0	107.3	A14 K18	A14-E16 PolarHBondContact O-N 3.29Å; E16-K18 VanDerWaalsContact C-N 3.3Å; E16-K18 PolarHBondContact O-N 3.34Å
17	K	34.5	Very low	41	Very low	197 Å²	197	153.4 Å²	153.4	86%	0.857	76%	0.756	S	S	*	*			trans	-55.7	107.2	152.1	-85.5	179.7	174.6	175.8	0	104.7	T15 S19	T15-K17 VanDerWaalsContact C-N 3.32Å; T15-K17 PolarHBondContact O-N 3.02Å; K17-S19 PolarHBondContact O-N 3.43Å
18	K	34.3	Very low	42.6	Very low	205 Å²	205	143 Å²	143	89%	0.891	72%	0.719	S	S	*	*			trans	-48.1	94.5	160.1	-80.6	-178.1	175.1	179.4	0	106.4	E16 K20	E16-K18 VanDerWaalsContact C-N 3.3Å; E16-K18 PolarHBondContact O-N 3.34Å; K18-K20 PolarHBondContact O-N 2.94Å
19	S	35.1	Very low	44.5	Very low	90 Å²	90	143.5 Å²	143.5	63%	0.629	70%	0.704	S	S	*	*			trans	-57.4	135.1	163.5	76.8	0	0	0	0	104.2	K17 K21	K17-S19 PolarHBondContact O-N 3.43Å; S19-K21 PolarHBondContact O-N 3.06Å
20	K	33.7	Very low	46.2	Very low	208 Å²	208	142.6 Å²	142.6	90%	0.904	70%	0.695	S	S	*	*			trans	-55.7	93.3	172.2	-79.8	178	172.4	178.4	0	106.4	K18 N22	K18-K20 PolarHBondContact O-N 2.94Å; K20-N22 PolarHBondContact O-N 3Å
21	K	35.2	Very low	48.1	Very low	155 Å²	155	136.7 Å²	136.7	67%	0.674	66%	0.663	S	S	*	*			trans	-57.4	124	174.8	-81.4	-171	175	-173.1	0	105.6	S19 P23	S19-K21 PolarHBondContact O-N 3.06Å; K21-P23 WeakPolarHBondContact O-CD 3.47Å
22	N	44.4	Very low	49.8	Very low	105 Å²	105	127.7 Å²	127.7	56%	0.561	63%	0.629	S	S	*	*			trans	-72.3	110.8	-173.9	-143.5	-2.6	0	0	0	105.9	K20 K24 K25	K20-N22 PolarHBondContact O-N 3Å; N22-K24 PolarHBondContact O-N 3.27Å; N22-K25 PolarHBondContact O-N 3.25Å
23	P	41.6	Very low	51.6	Low	99 Å²	99	123.2 Å²	123.2	64%	0.643	62%	0.617	S	S	*	*	H	α-helix	trans	-56.6	-27.6	-168.9	17.8	-30	0	0	0	113	K21 K25 D26 D27	K21-P23 WeakPolarHBondContact O-CD 3.47Å; P23-K25 VanDerWaalsContact C-N 3.34Å; P23-K25 PolarHBondContact O-N 2.78Å; P23-D26 PolarHBondContact O-N 3.39Å; P23-D27 PolarHBondContact O-N 3.39Å
24	K	55.5	Low	53.2	Low	162 Å²	162	116.5 Å²	116.5	70%	0.704	58%	0.584	S	S	*	*	H	α-helix	trans	-62.7	-31.6	173.3	-69.4	-171.4	175.1	-172.6	0	114.8	N22 L28	N22-K24 PolarHBondContact O-N 3.27Å; K24-L28 PolarHBondContact O-N 3.15Å
25	K	56.6	Low	54.8	Low	146 Å²	146	113.6 Å²	113.6	64%	0.635	56%	0.556	S	S	*	*	H	α-helix	trans	-75.4	-35.8	178.6	-81	-168.8	172.7	-171.9	0	111.4	N22 P23 N29	N22-K25 PolarHBondContact O-N 3.25Å; P23-K25 VanDerWaalsContact C-N 3.34Å; P23-K25 PolarHBondContact O-N 2.78Å; K25-N29 PolarHBondContact O-N 3.03Å; K25-N29 VanDerWaalsContact O-N 3.13Å; K25-N29 PolarHBondContact O-ND2 3.12Å
26	D	58	Low	56.5	Low	77 Å²	77	113.8 Å²	113.8	41%	0.412	55%	0.552	S	S	.	*	H	α-helix	trans	-68.4	-43.6	178.3	-68	-22.8	0	0	0	110	P23 L28 N29 E30	P23-D26 PolarHBondContact O-N 3.39Å; D26-L28 PolarHBondContact O-N 3.25Å; D26-N29 PolarHBondContact O-N 3.46Å; D26-E30 PolarHBondContact O-N 2.93Å
27	D	69.2	Low	58.8	Low	96 Å²	96	105.5 Å²	105.5	51%	0.513	51%	0.513	S	S	.	.	H	α-helix	trans	-59	-42.2	175.5	-164.2	16.6	0	0	0	112.5	P23 E30 L31	P23-D27 PolarHBondContact O-N 3.39Å; D27-E30 WeakPolarHBondContact O-CB 3.37Å; D27-E30 PolarHBondContact O-N 3.15Å; D27-L31 WeakPolarHBondContact O-CG 3.47Å; D27-L31 PolarHBondContact O-N 2.92Å
28	L	73.1	Confident	61.3	Low	39 Å²	39	99.1 Å²	99.1	20%	0.204	49%	0.488	C	S	.	.	H	α-helix	trans	-71.4	-35.4	179.9	-140.6	138.5	0	0	0	112.9	K24 D26 E30 L31 K32 L269 G272 L273	K24-L28 PolarHBondContact O-N 3.15Å; D26-L28 PolarHBondContact O-N 3.25Å; L28-E30 VanDerWaalsContact C-N 3.3Å; L28-L31 PolarHBondContact O-N 3.42Å; L28-K32 WeakPolarHBondContact O-CG 3.46Å; L28-K32 PolarHBondContact O-N 2.91Å; L28-K32 VanDerWaalsContact O-N 3.09Å; L28-L269 HydrophobicContact CD2-CD1 4Å; L28-G272 WeakPolarHBondContact CD1-O 3.2Å; L28-L273 HydrophobicContact CD2-CD2 3.9Å
29	N	75.6	Confident	63.8	Low	86 Å²	86	90.7 Å²	90.7	46%	0.46	45%	0.452	S	S	.	.	H	α-helix	trans	-67.8	-32.7	173.8	-76.1	-21	0	0	0	111.8	K25 D26 K32 Q33	K25-N29 PolarHBondContact O-N 3.03Å; K25-N29 VanDerWaalsContact O-N 3.13Å; K25-N29 PolarHBondContact O-ND2 3.12Å; D26-N29 PolarHBondContact O-N 3.46Å; N29-K32 PolarHBondContact O-N 3.39Å; N29-Q33 PolarHBondContact O-N 3.48Å
30	E	74.6	Confident	66.4	Low	128 Å²	128	86.4 Å²	86.4	60%	0.598	42%	0.422	S	S	*	.	H	α-helix	trans	-67.3	-42.9	172.7	-170.6	176.2	171.6	0	0	111.2	D26 D27 L28 K32 Q33	D26-E30 PolarHBondContact O-N 2.93Å; D27-E30 WeakPolarHBondContact O-CB 3.37Å; D27-E30 PolarHBondContact O-N 3.15Å; L28-E30 VanDerWaalsContact C-N 3.3Å; E30-K32 PolarHBondContact O-N 2.95Å; E30-Q33 WeakPolarHBondContact O-CB 3.49Å; E30-Q33 PolarHBondContact O-N 3.11Å; E30-Q33 VanDerWaalsContact O-N 3.08Å
31	L	76.5	Confident	69.2	Low	28 Å²	28	82.3 Å²	82.3	15%	0.147	40%	0.401	C	S	.	.	H	α-helix	trans	-63.2	-28.8	175.2	-70.2	174.5	0	0	0	113.7	D27 L28 Q33 R265 N268 L269	D27-L31 WeakPolarHBondContact O-CG 3.47Å; D27-L31 PolarHBondContact O-N 2.92Å; L28-L31 PolarHBondContact O-N 3.42Å; L31-Q33 VanDerWaalsContact C-N 3.31Å; L31-R265 HydrophobicContact CD2-CB 4.19Å; L31-R265 HydrophobicContact CD2-CG 4.04Å; L31-N268 HydrophobicContact CD1-CB 4.11Å; L31-L269 HydrophobicContact CB-CD1 4.32Å
32	K	73.1	Confident	71.8	Confident	36 Å²	36	75.9 Å²	75.9	16%	0.157	37%	0.374	C	S	.	.	H	α-helix	trans	-70.9	-24.4	174.5	-76	179.1	175.4	-165.5	0	113.4	L28 N29 E30 L269 L694 E698	L28-K32 WeakPolarHBondContact O-CG 3.46Å; L28-K32 PolarHBondContact O-N 2.91Å; L28-K32 VanDerWaalsContact O-N 3.09Å; N29-K32 PolarHBondContact O-N 3.39Å; E30-K32 PolarHBondContact O-N 2.95Å; K32-L269 HydrophobicContact CG-CD1 3.81Å; K32-L694 HydrophobicContact CD-CD2 4.48Å; K32-L694 HydrophobicContact CG-CD2 4.1Å; K32-E698 IonicContact NZ-OE1 2.76Å; K32-E698 PolarHBondContact NZ-OE1 3.46Å; K32-E698 IonicContact NZ-OE2 3.7Å; K32-E698 PolarHBondContact NZ-OE2 3.46Å
33	Q	73.5	Confident	74.1	Confident	131 Å²	131	74 Å²	74	61%	0.612	37%	0.369	S	S	*	.	S	Bend	trans	-72.7	148.4	176.4	-66.5	179.2	6.4	0	0	109.9	N29 E30 L31 R265	N29-Q33 PolarHBondContact O-N 3.48Å; E30-Q33 WeakPolarHBondContact O-CB 3.49Å; E30-Q33 PolarHBondContact O-N 3.11Å; E30-Q33 VanDerWaalsContact O-N 3.08Å; L31-Q33 VanDerWaalsContact C-N 3.31Å; Q33-R265 PolarHBondContact O-NH2 3.04Å
34	E	67.8	Low	76.4	Confident	51 Å²	51	71.9 Å²	71.9	24%	0.238	35%	0.352	C	S	.	.			trans	-59.1	152.6	174.6	-72	-175	-178.2	0	0	111	D36 R666 Q692	E34-D36 PolarHBondContact O-N 3.41Å; E34-R666 WeakPolarHBondContact OE2-CD 3.49Å; E34-R666 IonicContact OE2-CZ 2.75Å; E34-R666 IonicContact OE2-NE 2.85Å; E34-R666 PolarHBondContact OE2-NE 2.85Å; E34-R666 IonicContact OE2-NH1 3.85Å; E34-R666 PolarHBondContact OE2-NH1 3.38Å; E34-R666 IonicContact OE2-NH2 2.85Å; E34-Q692 PolarHBondContact OE1-NE2 3.02Å
35	L	69.8	Low	78.1	Confident	29 Å²	29	70 Å²	70	15%	0.152	35%	0.349	C	S	.	.			trans	-75.2	109.8	-179.2	174.2	125.6	0	0	0	109.7	M37 P232 V262	L35-M37 HydrophobicContact CD1-CG 4.32Å; L35-M37 HydrophobicContact CD1-SD 4.31Å; L35-M37 HydrophobicContact CD2-CB 4.12Å; L35-M37 HydrophobicContact CD2-CE 3.62Å; L35-M37 HydrophobicContact CD2-CG 3.42Å; L35-M37 VanDerWaalsContact CD2-CG 3.42Å; L35-M37 HydrophobicContact CD2-SD 3.55Å; L35-M37 VanDerWaalsContact CD2-SD 3.55Å; L35-M37 HydrophobicContact CG-CG 3.8Å; L35-M37 HydrophobicContact CG-SD 4.26Å; L35-P232 HydrophobicContact CD2-CB 4.27Å; L35-P232 HydrophobicContact CD2-CG 4.36Å; L35-V262 HydrophobicContact CD1-CG2 3.98Å; L35-V262 HydrophobicContact CD2-CG2 3.81Å
36	D	71.5	Confident	79.7	Confident	136 Å²	136	67.7 Å²	67.7	73%	0.727	34%	0.341	S	S	*	.			trans	-84.8	109.8	168.7	-163	13.6	0	0	0	108.6	E34	E34-D36 PolarHBondContact O-N 3.41Å
37	M	80.6	Confident	81.3	Confident	12 Å²	12	64 Å²	64	6%	0.059	32%	0.321	C	S	.	.			trans	-127.4	143.5	173.5	-78	-166.8	-31.8	0	0	108.4	L35 E39 H40 P232 L238	L35-M37 HydrophobicContact CD1-CG 4.32Å; L35-M37 HydrophobicContact CD1-SD 4.31Å; L35-M37 HydrophobicContact CD2-CB 4.12Å; L35-M37 HydrophobicContact CD2-CE 3.62Å; L35-M37 HydrophobicContact CD2-CG 3.42Å; L35-M37 VanDerWaalsContact CD2-CG 3.42Å; L35-M37 HydrophobicContact CD2-SD 3.55Å; L35-M37 VanDerWaalsContact CD2-SD 3.55Å; L35-M37 HydrophobicContact CG-CG 3.8Å; L35-M37 HydrophobicContact CG-SD 4.26Å; M37-E39 WeakPolarHBondContact CB-OE2 3.49Å; M37-H40 PolarHBondContact O-CE1 3.09Å; M37-H40 PolarHBondContact O-ND1 3.03Å; M37-P232 HydrophobicContact CB-CG 4.11Å; M37-P232 HydrophobicContact CE-CB 3.84Å; M37-P232 HydrophobicContact CE-CG 4.47Å; M37-L238 HydrophobicContact CE-CD1 3.59Å
38	D	87.7	Confident	82.3	Confident	63 Å²	63	61.3 Å²	61.3	34%	0.337	30%	0.304	S	S	.	.			trans	-117	-10.3	179.6	67.2	-20.8	0	0	0	112.7	H40 R41 I42 R50	D38-H40 PolarHBondContact O-N 3.42Å; D38-R41 WeakPolarHBondContact O-CB 3.41Å; D38-R41 PolarHBondContact O-N 2.99Å; D38-I42 PolarHBondContact O-N 3.15Å; D38-R50 IonicContact OD1-CZ 2.73Å; D38-R50 VanDerWaalsContact OD1-CZ 3.28Å; D38-R50 IonicContact OD1-NH1 3.2Å; D38-R50 PolarHBondContact OD1-NH1 2.78Å; D38-R50 IonicContact OD1-NH2 3.98Å; D38-R50 PolarHBondContact OD1-NH2 2.84Å; D38-R50 IonicContact OD2-CZ 3.39Å; D38-R50 IonicContact OD2-NH1 3.67Å; D38-R50 PolarHBondContact OD2-NH1 3.44Å; D38-R50 IonicContact OD2-NH2 2.69Å
39	E	87.5	Confident	83.2	Confident	28 Å²	28	63.7 Å²	63.7	13%	0.131	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.4	-176.5	-68.1	80.9	-176.7	0	0	113.7	M37 I42 L47 R50 R200 V255	M37-E39 WeakPolarHBondContact CB-OE2 3.49Å; E39-I42 WeakPolarHBondContact O-CG1 3.36Å; E39-L47 HydrophobicContact CB-CD1 4.21Å; E39-L47 HydrophobicContact CG-CD1 4.41Å; E39-R50 IonicContact OE1-CZ 3.88Å; E39-R50 IonicContact OE1-NH2 3.16Å; E39-R50 PolarHBondContact OE1-NH2 2.89Å; E39-R200 WeakPolarHBondContact O-CD 3.47Å; E39-R200 PolarHBondContact O-NE 2.94Å; E39-V255 HydrophobicContact CB-CG1 4.04Å; E39-V255 HydrophobicContact CG-CB 4.44Å; E39-V255 HydrophobicContact CG-CG1 4.15Å
40	H	89.6	Confident	83.9	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-19.4	175.1	66.7	-64.4	0	0	0	114.3	M37 D38 Y227 N229 E230 T235 N237 L238	M37-H40 PolarHBondContact O-CE1 3.09Å; M37-H40 PolarHBondContact O-ND1 3.03Å; D38-H40 PolarHBondContact O-N 3.42Å; H40-Y227 AromaticContact CD2-CD2 3.81Å; H40-Y227 AromaticContact CD2-CE2 3.69Å; H40-Y227 WeakPolarHBondContact O-CD2 3.33Å; H40-N229 PolarHBondContact CD2-O 3.4Å; H40-E230 PolarHBondContact NE2-O 3.08Å; H40-T235 HydrophobicContact CB-CG2 3.93Å; H40-N237 WeakPolarHBondContact CB-OD1 3.39Å; H40-N237 PolarHBondContact O-ND2 2.96Å; H40-L238 HydrophobicContact CB-CD1 3.87Å; H40-L238 HydrophobicContact CB-CD2 4.21Å; H40-L238 HydrophobicContact CB-CG 3.92Å
41	R	91.5	Very high	84.6	Confident	121 Å²	121	59.9 Å²	59.9	46%	0.457	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-32.2	-177.4	-59.7	179.5	-179.5	-177.2	-2.2	112.2	D38 Y227 E230	D38-R41 WeakPolarHBondContact O-CB 3.41Å; D38-R41 PolarHBondContact O-N 2.99Å; R41-Y227 HydrophobicContact CG-CD2 4.42Å; R41-Y227 HydrophobicContact CG-CE2 3.89Å; R41-E230 PolarHBondContact NH2-O 2.98Å
42	I	90.8	Very high	85.2	Confident	21 Å²	21	62.3 Å²	62.3	11%	0.108	32%	0.318	C	S	.	.	S	Bend	trans	-70.5	155.5	-178.6	61.9	176	0	0	0	112.4	D38 E39 E46 L47	D38-I42 PolarHBondContact O-N 3.15Å; E39-I42 WeakPolarHBondContact O-CG1 3.36Å; I42-E46 HydrophobicContact CB-CB 4.3Å; I42-E46 HydrophobicContact CB-CG 4.17Å; I42-E46 HydrophobicContact CD1-CG 4.38Å; I42-E46 HydrophobicContact CG2-CG 4.42Å; I42-L47 HydrophobicContact CD1-CB 3.98Å; I42-L47 HydrophobicContact CD1-CD1 3.9Å; I42-L47 HydrophobicContact CG1-CB 4.34Å; I42-L47 HydrophobicContact CG1-CD1 4.48Å
43	S	91.3	Very high	86	Confident	64 Å²	64	61.1 Å²	61.1	45%	0.448	31%	0.314	S	S	.	.			trans	-67	158.4	174.9	70.6	0	0	0	0	111.4	D45 E46 L47	S43-D45 VanDerWaalsContact C-N 3.3Å; S43-D45 PolarHBondContact O-N 3.49Å; S43-E46 PolarHBondContact O-N 2.92Å; S43-E46 WeakPolarHBondContact OG-CB 3.27Å; S43-E46 PolarHBondContact OG-N 3.33Å; S43-L47 PolarHBondContact O-N 2.91Å
44	L	91	Very high	86.8	Confident	55 Å²	55	58.3 Å²	58.3	29%	0.288	30%	0.303	S	S	.	.	H	α-helix	trans	-61.3	-38.7	178.1	-68.4	178.1	0	0	0	112	E46 L47 Y48 I202	L44-E46 VanDerWaalsContact C-N 3.34Å; L44-E46 PolarHBondContact O-N 3.42Å; L44-L47 HydrophobicContact CD2-CD2 4.49Å; L44-L47 WeakPolarHBondContact O-CB 3.45Å; L44-L47 PolarHBondContact O-N 2.96Å; L44-Y48 HydrophobicContact CB-CE2 3.89Å; L44-Y48 WeakPolarHBondContact O-CD1 3.3Å; L44-Y48 WeakPolarHBondContact O-CD2 3.32Å; L44-Y48 WeakPolarHBondContact O-CE2 3.3Å; L44-Y48 PolarHBondContact O-N 3.06Å; L44-I202 HydrophobicContact CD2-CG2 4.05Å
45	D	89.7	Confident	87.7	Confident	122 Å²	122	58 Å²	58	65%	0.652	31%	0.305	S	S	*	.	H	α-helix	trans	-65.4	-37.9	178.8	-62.9	-30.9	0	0	0	112.3	S43 S49	S43-D45 VanDerWaalsContact C-N 3.3Å; S43-D45 PolarHBondContact O-N 3.49Å; D45-S49 WeakPolarHBondContact O-CB 3.43Å; D45-S49 PolarHBondContact O-N 3.25Å; D45-S49 VanDerWaalsContact O-N 3.07Å; D45-S49 PolarHBondContact O-OG 3.44Å
46	E	91.7	Very high	88.6	Confident	98 Å²	98	64.2 Å²	64.2	46%	0.458	33%	0.334	S	S	.	.	H	α-helix	trans	-68.2	-40.6	174.4	-174.6	175.4	-176.8	0	0	111.5	I42 S43 L44 S49 R50	I42-E46 HydrophobicContact CB-CB 4.3Å; I42-E46 HydrophobicContact CB-CG 4.17Å; I42-E46 HydrophobicContact CD1-CG 4.38Å; I42-E46 HydrophobicContact CG2-CG 4.42Å; S43-E46 PolarHBondContact O-N 2.92Å; S43-E46 WeakPolarHBondContact OG-CB 3.27Å; S43-E46 PolarHBondContact OG-N 3.33Å; L44-E46 VanDerWaalsContact C-N 3.34Å; L44-E46 PolarHBondContact O-N 3.42Å; E46-S49 PolarHBondContact O-N 2.91Å; E46-R50 VanDerWaalsContact O-CB 3.3Å; E46-R50 WeakPolarHBondContact O-CB 3.31Å; E46-R50 PolarHBondContact O-N 3.38Å
47	L	90.8	Very high	89.3	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-60.9	-46.6	174.6	-176.8	78.3	0	0	0	111.6	E39 I42 S43 L44 S49 R50 L51 R200 I253	E39-L47 HydrophobicContact CB-CD1 4.21Å; E39-L47 HydrophobicContact CG-CD1 4.41Å; I42-L47 HydrophobicContact CD1-CB 3.98Å; I42-L47 HydrophobicContact CD1-CD1 3.9Å; I42-L47 HydrophobicContact CG1-CB 4.34Å; I42-L47 HydrophobicContact CG1-CD1 4.48Å; S43-L47 PolarHBondContact O-N 2.91Å; L44-L47 HydrophobicContact CD2-CD2 4.49Å; L44-L47 WeakPolarHBondContact O-CB 3.45Å; L44-L47 PolarHBondContact O-N 2.96Å; L47-S49 VanDerWaalsContact C-N 3.3Å; L47-S49 PolarHBondContact O-N 3.31Å; L47-R50 PolarHBondContact O-N 2.87Å; L47-L51 HydrophobicContact CD1-CD1 3.84Å; L47-L51 HydrophobicContact CD1-CG 4.42Å; L47-L51 HydrophobicContact CG-CD1 4.14Å; L47-L51 WeakPolarHBondContact O-CB 3.42Å; L47-L51 PolarHBondContact O-N 2.97Å; L47-R200 HydrophobicContact CD1-CG 4.37Å; L47-R200 HydrophobicContact CD2-CB 4.06Å; L47-R200 HydrophobicContact CD2-CG 3.49Å; L47-R200 VanDerWaalsContact CD2-CG 3.49Å; L47-I253 HydrophobicContact CD2-CD1 4.16Å
48	Y	91.6	Very high	89.8	Confident	38 Å²	38	59.5 Å²	59.5	15%	0.149	31%	0.313	C	S	.	.	H	α-helix	trans	-61.5	-40.5	178.1	-57.3	-30.9	0	0	0	111.5	L44 S52 T53 P55 I202 I253	L44-Y48 HydrophobicContact CB-CE2 3.89Å; L44-Y48 WeakPolarHBondContact O-CD1 3.3Å; L44-Y48 WeakPolarHBondContact O-CD2 3.32Å; L44-Y48 WeakPolarHBondContact O-CE2 3.3Å; L44-Y48 PolarHBondContact O-N 3.06Å; Y48-S52 VanDerWaalsContact O-CA 3.3Å; Y48-S52 WeakPolarHBondContact O-CA 3.33Å; Y48-S52 PolarHBondContact O-N 3.43Å; Y48-T53 HydrophobicContact CD1-CG2 4.43Å; Y48-T53 PolarHBondContact O-N 3.44Å; Y48-T53 VanDerWaalsContact O-N 3.13Å; Y48-P55 HydrophobicContact CD1-CB 4.5Å; Y48-P55 HydrophobicContact CD2-CB 4.34Å; Y48-P55 HydrophobicContact CD2-CG 4.27Å; Y48-P55 HydrophobicContact CE1-CB 4.01Å; Y48-P55 HydrophobicContact CE2-CB 3.83Å; Y48-P55 HydrophobicContact CE2-CG 4.08Å; Y48-I202 HydrophobicContact CE1-CG2 4.16Å; Y48-I253 HydrophobicContact CD1-CD1 3.54Å; Y48-I253 HydrophobicContact CE1-CD1 3.37Å
49	S	90.3	Very high	90.1	Very high	89 Å²	89	56.5 Å²	56.5	62%	0.622	30%	0.297	S	S	*	.	H	α-helix	trans	-65.9	-49.1	176.5	-59.3	0	0	0	0	111.8	D45 E46 L47 L51 S52	D45-S49 WeakPolarHBondContact O-CB 3.43Å; D45-S49 PolarHBondContact O-N 3.25Å; D45-S49 VanDerWaalsContact O-N 3.07Å; D45-S49 PolarHBondContact O-OG 3.44Å; E46-S49 PolarHBondContact O-N 2.91Å; L47-S49 VanDerWaalsContact C-N 3.3Å; L47-S49 PolarHBondContact O-N 3.31Å; S49-L51 VanDerWaalsContact C-N 3.35Å; S49-L51 PolarHBondContact O-N 3.43Å; S49-S52 PolarHBondContact O-N 2.82Å
50	R	91	Very high	90.3	Very high	117 Å²	117	58.1 Å²	58.1	44%	0.442	31%	0.309	S	S	.	.	H	α-helix	trans	-62.2	-39.6	-179.1	179	169.9	165.4	168.4	-13	112.4	D38 E39 E46 L47	D38-R50 IonicContact OD1-CZ 2.73Å; D38-R50 VanDerWaalsContact OD1-CZ 3.28Å; D38-R50 IonicContact OD1-NH1 3.2Å; D38-R50 PolarHBondContact OD1-NH1 2.78Å; D38-R50 IonicContact OD1-NH2 3.98Å; D38-R50 PolarHBondContact OD1-NH2 2.84Å; D38-R50 IonicContact OD2-CZ 3.39Å; D38-R50 IonicContact OD2-NH1 3.67Å; D38-R50 PolarHBondContact OD2-NH1 3.44Å; D38-R50 IonicContact OD2-NH2 2.69Å; E39-R50 IonicContact OE1-CZ 3.88Å; E39-R50 IonicContact OE1-NH2 3.16Å; E39-R50 PolarHBondContact OE1-NH2 2.89Å; E46-R50 VanDerWaalsContact O-CB 3.3Å; E46-R50 WeakPolarHBondContact O-CB 3.31Å; E46-R50 PolarHBondContact O-N 3.38Å; L47-R50 PolarHBondContact O-N 2.87Å
51	L	89.3	Confident	90.3	Very high	18 Å²	18	61.6 Å²	61.6	9%	0.094	34%	0.338	C	S	.	.	H	α-helix	trans	-91.9	-3.2	180	-61.1	-178.7	0	0	0	113.4	L47 S49 T53 R67 V183 I253	L47-L51 HydrophobicContact CD1-CD1 3.84Å; L47-L51 HydrophobicContact CD1-CG 4.42Å; L47-L51 HydrophobicContact CG-CD1 4.14Å; L47-L51 WeakPolarHBondContact O-CB 3.42Å; L47-L51 PolarHBondContact O-N 2.97Å; S49-L51 VanDerWaalsContact C-N 3.35Å; S49-L51 PolarHBondContact O-N 3.43Å; L51-T53 VanDerWaalsContact C-N 3.29Å; L51-T53 HydrophobicContact CB-CG2 4.01Å; L51-T53 PolarHBondContact O-N 2.87Å; L51-R67 VanDerWaalsContact O-CZ 3.31Å; L51-R67 PolarHBondContact O-NH1 3.25Å; L51-R67 PolarHBondContact O-NH2 2.96Å; L51-V183 HydrophobicContact CD2-CG1 3.81Å; L51-I253 HydrophobicContact CD1-CG2 3.59Å
52	S	90	Very high	90.3	Very high	78 Å²	78	63.1 Å²	63.1	55%	0.545	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.4	52.9	-175.7	-57.1	0	0	0	0	111.8	Y48 S49 L59 R67	Y48-S52 VanDerWaalsContact O-CA 3.3Å; Y48-S52 WeakPolarHBondContact O-CA 3.33Å; Y48-S52 PolarHBondContact O-N 3.43Å; S49-S52 PolarHBondContact O-N 2.82Å; S52-L59 WeakPolarHBondContact O-CD2 3.21Å; S52-R67 PolarHBondContact O-NH2 3.26Å
53	T	89.8	Confident	90.3	Very high	11 Å²	11	65.9 Å²	65.9	7%	0.067	36%	0.363	C	S	.	.			trans	-128.1	144	-176.1	-167.6	0	0	0	0	110.7	Y48 L51 G184 I253	Y48-T53 HydrophobicContact CD1-CG2 4.43Å; Y48-T53 PolarHBondContact O-N 3.44Å; Y48-T53 VanDerWaalsContact O-N 3.13Å; L51-T53 VanDerWaalsContact C-N 3.29Å; L51-T53 HydrophobicContact CB-CG2 4.01Å; L51-T53 PolarHBondContact O-N 2.87Å; T53-G184 VanDerWaalsContact CB-O 3.3Å; T53-G184 WeakPolarHBondContact CB-O 3.43Å; T53-G184 PolarHBondContact OG1-O 2.96Å; T53-I253 HydrophobicContact CG2-CD1 3.74Å; T53-I253 HydrophobicContact CG2-CG1 4.43Å; T53-I253 HydrophobicContact CG2-CG2 4.13Å
54	D	90.3	Very high	90.3	Very high	72 Å²	72	63 Å²	63	39%	0.385	34%	0.342	S	S	.	.			trans	-90.6	132.8	179.4	-173.9	-81.4	0	0	0	110.8	Q56 S57 G58	D54-Q56 PolarHBondContact O-N 3.09Å; D54-Q56 WeakPolarHBondContact OD1-CA 3.44Å; D54-Q56 PolarHBondContact OD1-N 3.2Å; D54-S57 WeakPolarHBondContact CB-OG 3.48Å; D54-S57 VanDerWaalsContact CG-OG 3.28Å; D54-S57 PolarHBondContact OD1-N 3.36Å; D54-S57 PolarHBondContact OD1-OG 3.3Å; D54-G58 VanDerWaalsContact O-CA 3.29Å; D54-G58 WeakPolarHBondContact O-CA 3.27Å; D54-G58 PolarHBondContact O-N 2.9Å
55	P	86	Confident	90.4	Very high	44 Å²	44	66.7 Å²	66.7	29%	0.286	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.6	-176.4	26.3	-35	0	0	0	114.7	Y48 L186	Y48-P55 HydrophobicContact CD1-CB 4.5Å; Y48-P55 HydrophobicContact CD2-CB 4.34Å; Y48-P55 HydrophobicContact CD2-CG 4.27Å; Y48-P55 HydrophobicContact CE1-CB 4.01Å; Y48-P55 HydrophobicContact CE2-CB 3.83Å; Y48-P55 HydrophobicContact CE2-CG 4.08Å; P55-L186 WeakPolarHBondContact O-CD2 3.49Å
56	Q	87.5	Confident	90.6	Very high	161 Å²	161	65 Å²	65	75%	0.752	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-47.2	-179.6	-64.2	-170.8	-0.3	0	0	112.5	D54	D54-Q56 PolarHBondContact O-N 3.09Å; D54-Q56 WeakPolarHBondContact OD1-CA 3.44Å; D54-Q56 PolarHBondContact OD1-N 3.2Å
57	S	87.9	Confident	90.6	Very high	43 Å²	43	61.9 Å²	61.9	30%	0.301	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-17	-177.8	68.5	0	0	0	0	114	D54 R169 G170 G171	D54-S57 WeakPolarHBondContact CB-OG 3.48Å; D54-S57 VanDerWaalsContact CG-OG 3.28Å; D54-S57 PolarHBondContact OD1-N 3.36Å; D54-S57 PolarHBondContact OD1-OG 3.3Å; S57-R169 CarbonylContact O-C 3.57Å; S57-G170 PolarHBondContact O-N 3.4Å; S57-G171 PolarHBondContact O-N 3.04Å
58	G	91.2	Very high	90.7	Very high	5 Å²	5	64.4 Å²	64.4	5%	0.052	35%	0.348	C	S	.	.			trans	63	-161.6	-170.2	0	0	0	0	0	112.5	D54	D54-G58 VanDerWaalsContact O-CA 3.29Å; D54-G58 WeakPolarHBondContact O-CA 3.27Å; D54-G58 PolarHBondContact O-N 2.9Å
59	L	92.2	Very high	90.8	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-73.5	156.2	177.7	-65.5	178.4	0	0	0	112.1	S52 Q63 R169 G170 V182	S52-L59 WeakPolarHBondContact O-CD2 3.21Å; L59-Q63 HydrophobicContact CB-CB 4.48Å; L59-R169 CarbonylContact O-C 3.4Å; L59-R169 WeakPolarHBondContact O-CA 3.36Å; L59-R169 VanDerWaalsContact O-CB 3.31Å; L59-R169 WeakPolarHBondContact O-CB 3.32Å; L59-G170 PolarHBondContact O-N 3.15Å; L59-V182 HydrophobicContact CD1-CG2 3.92Å
60	T	92	Very high	90.8	Very high	63 Å²	63	73 Å²	73	39%	0.387	37%	0.372	S	S	.	.			trans	-75.6	155.9	166.7	71.9	0	0	0	0	110.9	E62 Q63 A64	T60-E62 PolarHBondContact O-N 2.95Å; T60-Q63 PolarHBondContact O-N 3.4Å; T60-Q63 WeakPolarHBondContact OG1-CB 3.22Å; T60-Q63 VanDerWaalsContact OG1-CG 3.25Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.12Å; T60-Q63 PolarHBondContact OG1-N 3.39Å; T60-Q63 PolarHBondContact OG1-OE1 3.09Å; T60-A64 PolarHBondContact O-N 2.85Å
61	A	89.7	Confident	90.8	Very high	72 Å²	72	69.6 Å²	69.6	60%	0.595	36%	0.363	S	S	*	.	H	α-helix	trans	-59.3	-33.2	177.6	0	0	0	0	0	112.9	K65	A61-K65 WeakPolarHBondContact O-CB 3.44Å; A61-K65 PolarHBondContact O-N 3.44Å
62	E	91.3	Very high	90.9	Very high	154 Å²	154	69.9 Å²	69.9	72%	0.72	37%	0.37	S	S	*	.	H	α-helix	trans	-72	-41.8	177.6	-172	173.7	-166.2	0	0	112.3	T60 A64 K65 T66	T60-E62 PolarHBondContact O-N 2.95Å; E62-A64 VanDerWaalsContact C-N 3.33Å; E62-A64 PolarHBondContact O-N 2.98Å; E62-K65 PolarHBondContact O-N 2.99Å; E62-T66 WeakPolarHBondContact O-CB 3.21Å; E62-T66 PolarHBondContact O-N 3Å; E62-T66 PolarHBondContact O-OG1 3.48Å
63	Q	91.9	Very high	91	Very high	79 Å²	79	69.8 Å²	69.8	37%	0.369	37%	0.368	S	S	.	.	H	α-helix	trans	-61.7	-43.6	172.6	-75.1	171.9	-25	0	0	111.1	L59 T60 K65 T66 R67	L59-Q63 HydrophobicContact CB-CB 4.48Å; T60-Q63 PolarHBondContact O-N 3.4Å; T60-Q63 WeakPolarHBondContact OG1-CB 3.22Å; T60-Q63 VanDerWaalsContact OG1-CG 3.25Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.12Å; T60-Q63 PolarHBondContact OG1-N 3.39Å; T60-Q63 PolarHBondContact OG1-OE1 3.09Å; Q63-K65 PolarHBondContact O-N 3.21Å; Q63-T66 PolarHBondContact O-N 3.03Å; Q63-R67 WeakPolarHBondContact O-CG 3.42Å; Q63-R67 PolarHBondContact O-N 3.22Å
64	A	91.7	Very high	91.1	Very high	2 Å²	2	69.3 Å²	69.3	2%	0.017	36%	0.364	C	S	.	.	H	α-helix	trans	-61.6	-44.5	177.9	0	0	0	0	0	111.8	T60 E62 R67 L68 R169 V182	T60-A64 PolarHBondContact O-N 2.85Å; E62-A64 VanDerWaalsContact C-N 3.33Å; E62-A64 PolarHBondContact O-N 2.98Å; A64-R67 PolarHBondContact O-N 3.36Å; A64-L68 WeakPolarHBondContact O-CB 3.37Å; A64-L68 PolarHBondContact O-N 3.11Å; A64-R169 VanDerWaalsContact CB-CZ 3.41Å; A64-V182 HydrophobicContact CB-CG2 4.14Å
65	K	92.4	Very high	90.9	Very high	134 Å²	134	67 Å²	67	58%	0.583	36%	0.356	S	S	*	.	H	α-helix	trans	-61.6	-44.6	175.8	-172.5	-177.9	176	-171	0	112.3	A61 E62 Q63 R67 L68 E69	A61-K65 WeakPolarHBondContact O-CB 3.44Å; A61-K65 PolarHBondContact O-N 3.44Å; E62-K65 PolarHBondContact O-N 2.99Å; Q63-K65 PolarHBondContact O-N 3.21Å; K65-R67 VanDerWaalsContact C-N 3.33Å; K65-R67 PolarHBondContact O-N 3.28Å; K65-L68 WeakPolarHBondContact O-CB 3.16Å; K65-L68 PolarHBondContact O-N 3.05Å; K65-E69 VanDerWaalsContact CE-OE1 3.26Å; K65-E69 WeakPolarHBondContact CE-OE1 3.3Å; K65-E69 PolarHBondContact O-N 2.95Å
66	T	93.1	Very high	90.9	Very high	86 Å²	86	65.8 Å²	65.8	53%	0.528	35%	0.346	S	S	.	.	H	α-helix	trans	-62.1	-41.3	179.1	-54.1	0	0	0	0	111.5	E62 Q63 R70	E62-T66 WeakPolarHBondContact O-CB 3.21Å; E62-T66 PolarHBondContact O-N 3Å; E62-T66 PolarHBondContact O-OG1 3.48Å; Q63-T66 PolarHBondContact O-N 3.03Å; T66-R70 WeakPolarHBondContact O-CB 3.29Å; T66-R70 PolarHBondContact O-N 3.39Å; T66-R70 VanDerWaalsContact O-N 3.12Å
67	R	93.3	Very high	90.6	Very high	32 Å²	32	62 Å²	62	12%	0.121	34%	0.335	C	S	.	.	H	α-helix	trans	-68.9	-36.5	176.2	-69.2	-178.5	-167.8	-158.3	2.7	112.1	L51 S52 Q63 A64 K65 R70 D71 V182 V183	L51-R67 VanDerWaalsContact O-CZ 3.31Å; L51-R67 PolarHBondContact O-NH1 3.25Å; L51-R67 PolarHBondContact O-NH2 2.96Å; S52-R67 PolarHBondContact O-NH2 3.26Å; Q63-R67 WeakPolarHBondContact O-CG 3.42Å; Q63-R67 PolarHBondContact O-N 3.22Å; A64-R67 PolarHBondContact O-N 3.36Å; K65-R67 VanDerWaalsContact C-N 3.33Å; K65-R67 PolarHBondContact O-N 3.28Å; R67-R70 PolarHBondContact O-N 2.92Å; R67-D71 WeakPolarHBondContact O-CB 3.47Å; R67-D71 PolarHBondContact O-N 3.33Å; R67-V182 HydrophobicContact CB-CB 3.86Å; R67-V182 HydrophobicContact CB-CG1 4.05Å; R67-V182 HydrophobicContact CB-CG2 3.99Å; R67-V183 VanDerWaalsContact CD-O 3.32Å; R67-V183 WeakPolarHBondContact CD-O 3.39Å; R67-V183 PolarHBondContact NH1-O 3.08Å
68	L	93.1	Very high	90	Very high	55 Å²	55	64.2 Å²	64.2	29%	0.288	35%	0.348	S	S	.	.	H	α-helix	trans	-63.5	-41.6	177.5	-173.2	67.8	0	0	0	111.4	A64 K65 G72 V182	A64-L68 WeakPolarHBondContact O-CB 3.37Å; A64-L68 PolarHBondContact O-N 3.11Å; K65-L68 WeakPolarHBondContact O-CB 3.16Å; K65-L68 PolarHBondContact O-N 3.05Å; L68-G72 CarbonylContact O-C 3.56Å; L68-G72 VanDerWaalsContact O-CA 3.27Å; L68-G72 WeakPolarHBondContact O-CA 3.32Å; L68-G72 PolarHBondContact O-N 2.95Å; L68-V182 HydrophobicContact CB-CG1 3.74Å; L68-V182 HydrophobicContact CD1-CG1 4.03Å
69	E	92.3	Very high	89	Confident	145 Å²	145	66.6 Å²	66.6	68%	0.678	36%	0.362	S	S	*	.	H	α-helix	trans	-68.3	-34	175.2	-71.3	175.5	-171.5	0	0	112.4	K65	K65-E69 VanDerWaalsContact CE-OE1 3.26Å; K65-E69 WeakPolarHBondContact CE-OE1 3.3Å; K65-E69 PolarHBondContact O-N 2.95Å
70	R	91.3	Very high	88	Confident	163 Å²	163	76.5 Å²	76.5	62%	0.615	41%	0.406	S	S	*	.	H	α-helix	trans	-73.6	-47.8	179	-174.1	-166.8	70.7	-168.8	-1.6	112.9	T66 R67	T66-R70 WeakPolarHBondContact O-CB 3.29Å; T66-R70 PolarHBondContact O-N 3.39Å; T66-R70 VanDerWaalsContact O-N 3.12Å; R67-R70 PolarHBondContact O-N 2.92Å
71	D	90.4	Very high	87	Confident	45 Å²	45	79 Å²	79	24%	0.241	42%	0.421	C	S	.	.	H	α-helix	trans	-98	-18.3	-168.8	-71.1	-7.5	0	0	0	113.3	R67 R260	R67-D71 WeakPolarHBondContact O-CB 3.47Å; R67-D71 PolarHBondContact O-N 3.33Å; D71-R260 IonicContact OD1-NH1 2.88Å; D71-R260 IonicContact OD2-NH1 3.45Å; D71-R260 IonicContact OD2-NH2 2.8Å; D71-R260 PolarHBondContact OD2-NH2 2.93Å
72	G	91.9	Very high	86.3	Confident	23 Å²	23	79.4 Å²	79.4	24%	0.237	42%	0.416	C	S	.	.			trans	85.4	174.5	-170.4	0	0	0	0	0	113.3	L68	L68-G72 CarbonylContact O-C 3.56Å; L68-G72 VanDerWaalsContact O-CA 3.27Å; L68-G72 WeakPolarHBondContact O-CA 3.32Å; L68-G72 PolarHBondContact O-N 2.95Å
73	P	92	Very high	86	Confident	77 Å²	77	75.1 Å²	75.1	50%	0.5	40%	0.402	S	S	.	.			trans	-68.4	153.6	180	29.8	-35	0	0	0	112	A75 E179	P73-A75 PolarHBondContact O-N 3.46Å; P73-E179 WeakPolarHBondContact CA-O 3.42Å; P73-E179 HydrophobicContact CB-CB 4.41Å
74	N	91.9	Very high	85.7	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	40%	0.402	C	S	.	.	S	Bend	trans	-75.7	71.3	169.9	178	41.8	0	0	0	110.6	A178 E179 L181 P196 T257 G258	N74-A178 WeakPolarHBondContact CB-O 3.47Å; N74-A178 PolarHBondContact ND2-O 2.89Å; N74-E179 PolarHBondContact N-O 2.83Å; N74-L181 HydrophobicContact CB-CB 4.3Å; N74-L181 WeakPolarHBondContact CB-O 3.47Å; N74-P196 PolarHBondContact ND2-O 2.73Å; N74-T257 HydrophobicContact CB-CG2 4.27Å; N74-T257 WeakPolarHBondContact OD1-CA 3.12Å; N74-G258 PolarHBondContact OD1-N 3.09Å
75	A	86.4	Confident	85.5	Confident	25 Å²	25	83.7 Å²	83.7	21%	0.207	43%	0.434	C	S	.	.	S	Bend	trans	-141.6	156.3	177.9	0	0	0	0	0	110.1	P73 E179 G258	P73-A75 PolarHBondContact O-N 3.46Å; A75-E179 HydrophobicContact CB-CG 4.43Å; A75-G258 WeakPolarHBondContact O-CA 3.46Å
76	L	85.1	Confident	85.4	Confident	17 Å²	17	80 Å²	80	9%	0.089	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-82	130.6	175.1	-60.7	178.7	0	0	0	110.3	P78 M154 F157 I161 F241 D259 A267	L76-P78 WeakPolarHBondContact O-CD 3.46Å; L76-M154 HydrophobicContact CB-SD 4.19Å; L76-F157 HydrophobicContact CD1-CB 3.83Å; L76-F157 HydrophobicContact CD1-CG 4.5Å; L76-I161 HydrophobicContact CG-CD1 4.42Å; L76-F241 HydrophobicContact CD1-CE1 4.28Å; L76-F241 HydrophobicContact CD2-CE1 4.25Å; L76-F241 HydrophobicContact CG-CE1 4.26Å; L76-D259 WeakPolarHBondContact CA-OD1 3.37Å; L76-A267 HydrophobicContact CD1-CB 4.06Å
77	T	82.2	Confident	84.9	Confident	83 Å²	83	77.4 Å²	77.4	51%	0.509	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-77.4	121.6	-179.1	-56.6	0	0	0	0	109.9	D259	T77-D259 WeakPolarHBondContact CB-OD2 3.33Å; T77-D259 PolarHBondContact N-OD1 2.87Å; T77-D259 PolarHBondContact OG1-OD2 3.06Å
78	P	74.5	Confident	84.7	Confident	89 Å²	89	78.7 Å²	78.7	58%	0.578	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-67.8	141.6	177.6	27.3	-33.3	0	0	0	112	L76 M154	L76-P78 WeakPolarHBondContact O-CD 3.46Å; P78-M154 HydrophobicContact CB-CG 3.95Å
79	P	70.4	Confident	84.6	Confident	54 Å²	54	78.3 Å²	78.3	35%	0.351	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-64.8	149.5	177.9	29.8	-36.8	0	0	0	109.8	T81	P79-T81 PolarHBondContact O-N 3.31Å
80	K	71.2	Confident	84.3	Confident	209 Å²	209	78.9 Å²	78.9	91%	0.909	41%	0.412	S	S	*	.			trans	-64.3	106.7	172	-66	-174.8	-179.7	-177	0	108.8
81	T	70.5	Confident	83.9	Confident	116 Å²	116	71.8 Å²	71.8	71%	0.712	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-75.2	143.8	175.1	53.4	0	0	0	0	110.2	P79 P83	P79-T81 PolarHBondContact O-N 3.31Å; T81-P83 WeakPolarHBondContact O-CD 3.48Å
82	T	76.4	Confident	83.7	Confident	80 Å²	80	70.5 Å²	70.5	49%	0.491	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-73.4	124.8	168.1	50.8	0	0	0	0	108.3	K87	T82-K87 WeakPolarHBondContact OG1-CE 3.41Å
83	P	84.7	Confident	83.3	Confident	64 Å²	64	75.2 Å²	75.2	42%	0.416	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-55.7	142	177.3	-24.4	33.4	0	0	0	111.8	T81 W85 V86 K87	T81-P83 WeakPolarHBondContact O-CD 3.48Å; P83-W85 VanDerWaalsContact C-N 3.25Å; P83-W85 VanDerWaalsContact CB-CD1 3.5Å; P83-W85 HydrophobicContact CB-CG 4.36Å; P83-W85 VanDerWaalsContact CB-NE1 3.31Å; P83-W85 PolarHBondContact O-N 2.97Å; P83-V86 HydrophobicContact CB-CG2 4.14Å; P83-V86 HydrophobicContact CG-CG2 4.24Å; P83-V86 WeakPolarHBondContact O-CB 3.41Å; P83-V86 PolarHBondContact O-N 2.82Å; P83-K87 PolarHBondContact O-N 2.94Å
84	E	84.1	Confident	82.6	Confident	81 Å²	81	73.1 Å²	73.1	38%	0.379	39%	0.387	S	S	.	.	H	α-helix	trans	-59	-34.1	-175.7	-68.7	-54.5	139.8	0	0	113.2	V86 K87 F88 Y144	E84-V86 VanDerWaalsContact C-N 3.29Å; E84-V86 PolarHBondContact O-N 2.89Å; E84-K87 PolarHBondContact O-N 3.22Å; E84-K87 IonicContact OE1-NZ 2.67Å; E84-K87 PolarHBondContact OE1-NZ 2.87Å; E84-K87 IonicContact OE2-NZ 3.39Å; E84-F88 PolarHBondContact O-N 2.7Å; E84-Y144 PolarHBondContact OE2-OH 2.87Å
85	W	89.3	Confident	81.8	Confident	179 Å²	179	74.9 Å²	74.9	68%	0.678	40%	0.404	S	S	*	.	H	α-helix	trans	-64.3	-32	175	69.4	-95.2	0	0	0	112.8	P83 F88 C89	P83-W85 VanDerWaalsContact C-N 3.25Å; P83-W85 VanDerWaalsContact CB-CD1 3.5Å; P83-W85 HydrophobicContact CB-CG 4.36Å; P83-W85 VanDerWaalsContact CB-NE1 3.31Å; P83-W85 PolarHBondContact O-N 2.97Å; W85-F88 PolarHBondContact O-N 2.68Å; W85-C89 WeakPolarHBondContact O-CB 3.5Å; W85-C89 PolarHBondContact O-N 3.35Å; W85-C89 PolarHBondContact O-SG 2.87Å
86	V	89.2	Confident	81.5	Confident	57 Å²	57	74 Å²	74	35%	0.345	40%	0.396	S	S	.	.	H	α-helix	trans	-69.8	-40.4	176.2	179.5	0	0	0	0	110.1	P83 E84 C89 K90	P83-V86 HydrophobicContact CB-CG2 4.14Å; P83-V86 HydrophobicContact CG-CG2 4.24Å; P83-V86 WeakPolarHBondContact O-CB 3.41Å; P83-V86 PolarHBondContact O-N 2.82Å; E84-V86 VanDerWaalsContact C-N 3.29Å; E84-V86 PolarHBondContact O-N 2.89Å; V86-C89 PolarHBondContact O-N 3.36Å; V86-K90 WeakPolarHBondContact O-CB 3.24Å; V86-K90 PolarHBondContact O-N 3.13Å
87	K	83.7	Confident	81.4	Confident	32 Å²	32	73.4 Å²	73.4	14%	0.139	39%	0.394	C	S	.	.	H	α-helix	trans	-62.1	-47.4	174.9	-61.5	-176.4	-169.6	163.8	0	110.6	T82 P83 E84 C89 K90 T91 Y144	T82-K87 WeakPolarHBondContact OG1-CE 3.41Å; P83-K87 PolarHBondContact O-N 2.94Å; E84-K87 PolarHBondContact O-N 3.22Å; E84-K87 IonicContact OE1-NZ 2.67Å; E84-K87 PolarHBondContact OE1-NZ 2.87Å; E84-K87 IonicContact OE2-NZ 3.39Å; K87-C89 PolarHBondContact O-N 2.66Å; K87-K90 WeakPolarHBondContact O-CB 3.43Å; K87-K90 PolarHBondContact O-N 2.85Å; K87-K90 VanDerWaalsContact O-N 3.1Å; K87-T91 PolarHBondContact O-N 2.81Å; K87-T91 VanDerWaalsContact O-N 3.09Å; K87-Y144 HydrophobicContact CB-CD2 4.4Å; K87-Y144 HydrophobicContact CB-CE2 4.23Å
88	F	88.2	Confident	81.6	Confident	59 Å²	59	73.9 Å²	73.9	26%	0.259	39%	0.392	S	S	.	.	H	α-helix	trans	-59.7	-43.1	175.8	-177	-108.1	0	0	0	112.7	E84 W85 K90 T91 L92 Y144	E84-F88 PolarHBondContact O-N 2.7Å; W85-F88 PolarHBondContact O-N 2.68Å; F88-K90 VanDerWaalsContact C-N 3.31Å; F88-K90 PolarHBondContact O-N 2.64Å; F88-T91 PolarHBondContact O-N 2.94Å; F88-T91 PolarHBondContact O-OG1 2.96Å; F88-L92 HydrophobicContact CD1-CD1 3.88Å; F88-L92 HydrophobicContact CE1-CD1 3.47Å; F88-L92 VanDerWaalsContact CE1-CD1 3.47Å; F88-L92 HydrophobicContact CE1-CG 4.26Å; F88-L92 HydrophobicContact CZ-CD1 3.91Å; F88-L92 HydrophobicContact CZ-CD2 4.4Å; F88-L92 HydrophobicContact CZ-CG 4.29Å; F88-L92 WeakPolarHBondContact O-CG 3.49Å; F88-L92 PolarHBondContact O-N 3Å; F88-Y144 HydrophobicContact CB-CD2 3.85Å; F88-Y144 HydrophobicContact CB-CE2 4.09Å; F88-Y144 HydrophobicContact CB-CG 4.29Å; F88-Y144 HydrophobicContact CD2-CD1 4.06Å; F88-Y144 HydrophobicContact CD2-CD2 4.13Å; F88-Y144 AromaticContact CD2-CG 3.69Å; F88-Y144 HydrophobicContact CD2-CG 3.69Å; F88-Y144 HydrophobicContact CG-CG 4.49Å
89	C	90	Very high	82.1	Confident	47 Å²	47	70.5 Å²	70.5	32%	0.318	37%	0.369	S	S	.	.	H	α-helix	trans	-64.1	-37.1	174.4	-70.7	0	0	0	0	112.1	W85 V86 K87 T91 L92 F93	W85-C89 WeakPolarHBondContact O-CB 3.5Å; W85-C89 PolarHBondContact O-N 3.35Å; W85-C89 PolarHBondContact O-SG 2.87Å; V86-C89 PolarHBondContact O-N 3.36Å; K87-C89 PolarHBondContact O-N 2.66Å; C89-T91 VanDerWaalsContact C-N 3.32Å; C89-T91 PolarHBondContact O-N 3.07Å; C89-L92 PolarHBondContact O-N 2.72Å; C89-F93 WeakPolarHBondContact O-CD2 3.35Å; C89-F93 PolarHBondContact O-N 3.35Å
90	K	85.9	Confident	82.9	Confident	157 Å²	157	68.1 Å²	68.1	68%	0.683	35%	0.354	S	S	*	.	H	α-helix	trans	-63.8	-37.4	178.2	-168.5	-174.6	175.5	-163.3	0	111.8	V86 K87 F88 G94	V86-K90 WeakPolarHBondContact O-CB 3.24Å; V86-K90 PolarHBondContact O-N 3.13Å; K87-K90 WeakPolarHBondContact O-CB 3.43Å; K87-K90 PolarHBondContact O-N 2.85Å; K87-K90 VanDerWaalsContact O-N 3.1Å; F88-K90 VanDerWaalsContact C-N 3.31Å; F88-K90 PolarHBondContact O-N 2.64Å; K90-G94 PolarHBondContact O-N 3.31Å
91	T	82.8	Confident	83.8	Confident	14 Å²	14	61.1 Å²	61.1	9%	0.086	32%	0.322	C	S	.	.	H	α-helix	trans	-69.6	-36.3	176	60.4	0	0	0	0	112	K87 F88 C89 F93 G94 G140	K87-T91 PolarHBondContact O-N 2.81Å; K87-T91 VanDerWaalsContact O-N 3.09Å; F88-T91 PolarHBondContact O-N 2.94Å; F88-T91 PolarHBondContact O-OG1 2.96Å; C89-T91 VanDerWaalsContact C-N 3.32Å; C89-T91 PolarHBondContact O-N 3.07Å; T91-F93 VanDerWaalsContact C-N 3.31Å; T91-F93 PolarHBondContact O-N 3.24Å; T91-G94 PolarHBondContact O-N 3.23Å; T91-G140 PolarHBondContact OG1-O 3.42Å
92	L	87.3	Confident	84.6	Confident	18 Å²	18	59.6 Å²	59.6	9%	0.094	31%	0.308	C	S	.	.	H	α-helix	trans	-67.1	-25.1	178.3	-73.4	173.2	0	0	0	114.9	F88 C89 S97 W101 V136	F88-L92 HydrophobicContact CD1-CD1 3.88Å; F88-L92 HydrophobicContact CE1-CD1 3.47Å; F88-L92 VanDerWaalsContact CE1-CD1 3.47Å; F88-L92 HydrophobicContact CE1-CG 4.26Å; F88-L92 HydrophobicContact CZ-CD1 3.91Å; F88-L92 HydrophobicContact CZ-CD2 4.4Å; F88-L92 HydrophobicContact CZ-CG 4.29Å; F88-L92 WeakPolarHBondContact O-CG 3.49Å; F88-L92 PolarHBondContact O-N 3Å; C89-L92 PolarHBondContact O-N 2.72Å; L92-S97 WeakPolarHBondContact O-CB 3.26Å; L92-W101 PolarHBondContact O-NE1 3.14Å; L92-V136 HydrophobicContact CD2-CG1 4.38Å
93	F	83.8	Confident	85.1	Confident	121 Å²	121	56 Å²	56	53%	0.531	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	10.9	-178.2	-63.5	-67.7	0	0	0	113	C89 T91 W101	C89-F93 WeakPolarHBondContact O-CD2 3.35Å; C89-F93 PolarHBondContact O-N 3.35Å; T91-F93 VanDerWaalsContact C-N 3.31Å; T91-F93 PolarHBondContact O-N 3.24Å; F93-W101 AromaticContact CD1-CD1 3.72Å; F93-W101 AromaticContact CD1-NE1 3.81Å; F93-W101 AromaticContact CE1-CD1 3.81Å; F93-W101 HydrophobicContact CE1-CG 4.4Å; F93-W101 AromaticContact CE1-NE1 3.65Å
94	G	77.1	Confident	85.3	Confident	34 Å²	34	52.9 Å²	52.9	35%	0.351	27%	0.267	S	S	.	.	S	Bend	trans	-87.4	143.5	177.9	0	0	0	0	0	113	K90 T91 F96 S97	K90-G94 PolarHBondContact O-N 3.31Å; T91-G94 PolarHBondContact O-N 3.23Å; G94-F96 PolarHBondContact O-N 3.26Å; G94-S97 WeakPolarHBondContact O-CB 3.33Å; G94-S97 PolarHBondContact O-N 3.49Å
95	G	75.8	Confident	85.6	Confident	36 Å²	36	52.7 Å²	52.7	37%	0.371	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	-128.2	166.4	0	0	0	0	0	115.4	S97 L98	G95-S97 PolarHBondContact O-N 2.74Å; G95-L98 WeakPolarHBondContact O-CB 3.5Å; G95-L98 PolarHBondContact O-N 3.06Å
96	F	78.5	Confident	85.5	Confident	6 Å²	6	46.3 Å²	46.3	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-58.9	-31.2	-179.7	-67.4	-47.9	0	0	0	113.4	G94 L98 L99 L100 F287 I288 I291 V328 P329 L333	G94-F96 PolarHBondContact O-N 3.26Å; F96-L98 PolarHBondContact O-N 3.04Å; F96-L98 VanDerWaalsContact O-N 3.16Å; F96-L99 HydrophobicContact CD1-CD1 4.42Å; F96-L99 WeakPolarHBondContact O-CB 3.16Å; F96-L99 PolarHBondContact O-N 2.84Å; F96-L100 WeakPolarHBondContact O-CG 3.22Å; F96-L100 PolarHBondContact O-N 3.07Å; F96-F287 HydrophobicContact CE2-CD1 4.38Å; F96-F287 AromaticContact CE2-CE1 3.69Å; F96-F287 HydrophobicContact CE2-CE1 3.69Å; F96-F287 HydrophobicContact CE2-CZ 4.26Å; F96-F287 HydrophobicContact CZ-CD1 4.44Å; F96-F287 AromaticContact CZ-CE1 3.83Å; F96-F287 HydrophobicContact CZ-CE1 3.83Å; F96-F287 HydrophobicContact CZ-CZ 4.06Å; F96-I288 HydrophobicContact CD1-CG2 4.27Å; F96-I288 HydrophobicContact CD2-CG1 3.95Å; F96-I288 HydrophobicContact CE1-CB 4.48Å; F96-I288 HydrophobicContact CE1-CG1 4.46Å; F96-I288 HydrophobicContact CE1-CG2 4.27Å; F96-I288 HydrophobicContact CE2-CB 4.49Å; F96-I288 HydrophobicContact CE2-CG1 3.65Å; F96-I288 HydrophobicContact CG-CG1 4.48Å; F96-I288 HydrophobicContact CZ-CB 4.29Å; F96-I288 HydrophobicContact CZ-CG1 3.93Å; F96-I291 HydrophobicContact CE1-CB 3.82Å; F96-I291 HydrophobicContact CE1-CG2 3.71Å; F96-I291 HydrophobicContact CZ-CB 3.87Å; F96-I291 HydrophobicContact CZ-CG1 4.34Å; F96-I291 HydrophobicContact CZ-CG2 3.96Å; F96-V328 HydrophobicContact CB-CG1 3.91Å; F96-V328 HydrophobicContact CD1-CG1 3.97Å; F96-V328 HydrophobicContact CD1-CG2 4.44Å; F96-V328 HydrophobicContact CG-CG1 3.97Å; F96-P329 HydrophobicContact CE2-CG 4.42Å; F96-P329 HydrophobicContact CZ-CG 4.45Å; F96-L333 HydrophobicContact CD2-CD1 4.11Å; F96-L333 HydrophobicContact CD2-CG 4.3Å
97	S	84.7	Confident	85.4	Confident	6 Å²	6	43.6 Å²	43.6	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-59	-31.2	179.6	-56	0	0	0	0	112.1	L92 G94 G95 L100 W101	L92-S97 WeakPolarHBondContact O-CB 3.26Å; G94-S97 WeakPolarHBondContact O-CB 3.33Å; G94-S97 PolarHBondContact O-N 3.49Å; G95-S97 PolarHBondContact O-N 2.74Å; S97-L100 PolarHBondContact O-N 2.8Å; S97-W101 WeakPolarHBondContact O-CB 3.32Å; S97-W101 PolarHBondContact O-N 3.15Å
98	L	86.2	Confident	85.7	Confident	92 Å²	92	45.6 Å²	45.6	48%	0.482	24%	0.242	S	C	.	.	H	α-helix	trans	-66.3	-43.1	174.8	-174.6	67	0	0	0	112	G95 F96 W101 I102	G95-L98 WeakPolarHBondContact O-CB 3.5Å; G95-L98 PolarHBondContact O-N 3.06Å; F96-L98 PolarHBondContact O-N 3.04Å; F96-L98 VanDerWaalsContact O-N 3.16Å; L98-W101 PolarHBondContact O-N 2.79Å; L98-I102 HydrophobicContact CG-CD1 4.29Å; L98-I102 VanDerWaalsContact O-CG1 3.28Å; L98-I102 WeakPolarHBondContact O-CG1 3.48Å; L98-I102 PolarHBondContact O-N 3.24Å
99	L	84.8	Confident	85.8	Confident	18 Å²	18	46.9 Å²	46.9	9%	0.094	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-42.6	176.1	-69.2	174.2	0	0	0	111.3	F96 I102 G103 T292 V296 V328	F96-L99 HydrophobicContact CD1-CD1 4.42Å; F96-L99 WeakPolarHBondContact O-CB 3.16Å; F96-L99 PolarHBondContact O-N 2.84Å; L99-I102 PolarHBondContact O-N 2.98Å; L99-G103 PolarHBondContact O-N 2.83Å; L99-T292 HydrophobicContact CD1-CG2 3.76Å; L99-T292 HydrophobicContact CD2-CG2 4.19Å; L99-T292 HydrophobicContact CG-CG2 4.26Å; L99-V296 HydrophobicContact CD2-CG2 4.23Å; L99-V328 HydrophobicContact CB-CG2 4.39Å; L99-V328 HydrophobicContact CD1-CG2 3.91Å
100	L	87.2	Confident	85.5	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-66.3	-37	177.6	-65	177.6	0	0	0	111.8	F96 S97 G103 A104 L132 V135 V136 V328 E330	F96-L100 WeakPolarHBondContact O-CG 3.22Å; F96-L100 PolarHBondContact O-N 3.07Å; S97-L100 PolarHBondContact O-N 2.8Å; L100-G103 PolarHBondContact O-N 3.3Å; L100-A104 WeakPolarHBondContact O-CB 3.33Å; L100-A104 PolarHBondContact O-N 3.34Å; L100-L132 HydrophobicContact CD2-CD2 4.17Å; L100-V135 HydrophobicContact CD1-CG1 4.29Å; L100-V136 HydrophobicContact CB-CG2 3.34Å; L100-V136 HydrophobicContact CD1-CG2 3.91Å; L100-V136 HydrophobicContact CG-CG2 4.29Å; L100-V328 HydrophobicContact CD1-CG1 4.34Å; L100-V328 HydrophobicContact CD2-CB 4.26Å; L100-V328 HydrophobicContact CD2-CG1 3.9Å; L100-V328 HydrophobicContact CG-CG1 4.11Å; L100-E330 HydrophobicContact CD1-CG 4.1Å; L100-E330 HydrophobicContact CD2-CG 3.98Å
101	W	90.5	Very high	85.6	Confident	62 Å²	62	39.2 Å²	39.2	24%	0.235	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-43.9	170.7	-84.7	125.3	0	0	0	112	L92 F93 S97 L98 G103 A104 V105 V136	L92-W101 PolarHBondContact O-NE1 3.14Å; F93-W101 AromaticContact CD1-CD1 3.72Å; F93-W101 AromaticContact CD1-NE1 3.81Å; F93-W101 AromaticContact CE1-CD1 3.81Å; F93-W101 HydrophobicContact CE1-CG 4.4Å; F93-W101 AromaticContact CE1-NE1 3.65Å; S97-W101 WeakPolarHBondContact O-CB 3.32Å; S97-W101 PolarHBondContact O-N 3.15Å; L98-W101 PolarHBondContact O-N 2.79Å; W101-G103 VanDerWaalsContact C-N 3.32Å; W101-A104 PolarHBondContact O-N 2.93Å; W101-V105 WeakPolarHBondContact O-CB 3.29Å; W101-V105 VanDerWaalsContact O-CG2 3.27Å; W101-V105 WeakPolarHBondContact O-CG2 3.15Å; W101-V105 PolarHBondContact O-N 2.87Å; W101-V136 HydrophobicContact CD2-CG1 4.28Å; W101-V136 HydrophobicContact CG-CG1 4.42Å; W101-V136 HydrophobicContact CZ2-CB 4.28Å; W101-V136 HydrophobicContact CZ2-CG1 3.85Å
102	I	87.2	Confident	85.8	Confident	83 Å²	83	42.4 Å²	42.4	43%	0.426	24%	0.235	S	C	.	.	H	α-helix	trans	-60.5	-46	175.2	-68.9	164.8	0	0	0	109.7	L98 L99 A104 V105 L106	L98-I102 HydrophobicContact CG-CD1 4.29Å; L98-I102 VanDerWaalsContact O-CG1 3.28Å; L98-I102 WeakPolarHBondContact O-CG1 3.48Å; L98-I102 PolarHBondContact O-N 3.24Å; L99-I102 PolarHBondContact O-N 2.98Å; I102-A104 PolarHBondContact O-N 2.97Å; I102-V105 PolarHBondContact O-N 3.16Å; I102-L106 HydrophobicContact CG2-CD1 3.82Å; I102-L106 HydrophobicContact CG2-CG 4.34Å; I102-L106 WeakPolarHBondContact O-CB 3.42Å; I102-L106 VanDerWaalsContact O-CG 3.23Å; I102-L106 WeakPolarHBondContact O-CG 3.41Å; I102-L106 PolarHBondContact O-N 3.02Å
103	G	85.6	Confident	85.8	Confident	4 Å²	4	43.8 Å²	43.8	4%	0.041	24%	0.242	C	C	.	.	H	α-helix	trans	-58.2	-47.1	175.1	0	0	0	0	0	112.5	L99 L100 W101 L106 C107	L99-G103 PolarHBondContact O-N 2.83Å; L100-G103 PolarHBondContact O-N 3.3Å; W101-G103 VanDerWaalsContact C-N 3.32Å; G103-L106 PolarHBondContact O-N 3.37Å; G103-C107 PolarHBondContact O-N 3.01Å; G103-C107 PolarHBondContact O-SG 3.08Å
104	A	89.5	Confident	85.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-46.6	178.4	0	0	0	0	0	112.3	L100 W101 I102 L106 C107 F108 L132	L100-A104 WeakPolarHBondContact O-CB 3.33Å; L100-A104 PolarHBondContact O-N 3.34Å; W101-A104 PolarHBondContact O-N 2.93Å; I102-A104 PolarHBondContact O-N 2.97Å; A104-L106 VanDerWaalsContact C-N 3.35Å; A104-L106 PolarHBondContact O-N 3Å; A104-C107 WeakPolarHBondContact O-CB 3.48Å; A104-C107 PolarHBondContact O-N 2.69Å; A104-F108 HydrophobicContact CB-CE2 4.42Å; A104-F108 WeakPolarHBondContact O-CD2 3.42Å; A104-F108 WeakPolarHBondContact O-CG 3.27Å; A104-F108 PolarHBondContact O-N 2.82Å; A104-L132 HydrophobicContact CB-CB 3.92Å
105	V	90.8	Very high	86.1	Confident	77 Å²	77	39.7 Å²	39.7	47%	0.467	22%	0.222	S	C	.	.	H	α-helix	trans	-61.6	-43.8	176.8	170.6	0	0	0	0	110.8	W101 I102 C107 F108 I109	W101-V105 WeakPolarHBondContact O-CB 3.29Å; W101-V105 VanDerWaalsContact O-CG2 3.27Å; W101-V105 WeakPolarHBondContact O-CG2 3.15Å; W101-V105 PolarHBondContact O-N 2.87Å; I102-V105 PolarHBondContact O-N 3.16Å; V105-C107 VanDerWaalsContact C-N 3.33Å; V105-C107 PolarHBondContact O-N 3.26Å; V105-F108 PolarHBondContact O-N 3.04Å; V105-I109 HydrophobicContact CG1-CD1 3.88Å; V105-I109 WeakPolarHBondContact O-CG1 3.23Å; V105-I109 PolarHBondContact O-N 3.44Å
106	L	87.3	Confident	86.6	Confident	45 Å²	45	41.2 Å²	41.2	24%	0.236	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-36.6	176.2	-72.3	173.1	0	0	0	112.2	I102 G103 A104 I109 A110 V317 I321	I102-L106 HydrophobicContact CG2-CD1 3.82Å; I102-L106 HydrophobicContact CG2-CG 4.34Å; I102-L106 WeakPolarHBondContact O-CB 3.42Å; I102-L106 VanDerWaalsContact O-CG 3.23Å; I102-L106 WeakPolarHBondContact O-CG 3.41Å; I102-L106 PolarHBondContact O-N 3.02Å; G103-L106 PolarHBondContact O-N 3.37Å; A104-L106 VanDerWaalsContact C-N 3.35Å; A104-L106 PolarHBondContact O-N 3Å; L106-I109 PolarHBondContact O-N 3.47Å; L106-A110 WeakPolarHBondContact O-CB 3.4Å; L106-A110 PolarHBondContact O-N 2.6Å; L106-V317 HydrophobicContact CD2-CG1 4.49Å; L106-I321 HydrophobicContact CB-CD1 3.57Å; L106-I321 HydrophobicContact CB-CG1 3.85Å; L106-I321 HydrophobicContact CD1-CG1 4.08Å
107	C	86.6	Confident	86.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-43.4	173	-69.8	0	0	0	0	111.9	G103 A104 V105 I109 A110 F111 N125	G103-C107 PolarHBondContact O-N 3.01Å; G103-C107 PolarHBondContact O-SG 3.08Å; A104-C107 WeakPolarHBondContact O-CB 3.48Å; A104-C107 PolarHBondContact O-N 2.69Å; V105-C107 VanDerWaalsContact C-N 3.33Å; V105-C107 PolarHBondContact O-N 3.26Å; C107-I109 VanDerWaalsContact C-N 3.34Å; C107-I109 PolarHBondContact O-N 2.93Å; C107-A110 PolarHBondContact O-N 2.95Å; C107-F111 WeakPolarHBondContact O-CB 3.11Å; C107-F111 PolarHBondContact O-N 2.85Å; C107-N125 WeakPolarHBondContact CB-O 3.23Å
108	F	90.6	Very high	86.3	Confident	74 Å²	74	50.2 Å²	50.2	33%	0.325	28%	0.284	S	S	.	.	H	α-helix	trans	-65.3	-37.6	175.7	-65.3	-51.9	0	0	0	112.3	A104 V105 S112 L126 G129 I130	A104-F108 HydrophobicContact CB-CE2 4.42Å; A104-F108 WeakPolarHBondContact O-CD2 3.42Å; A104-F108 WeakPolarHBondContact O-CG 3.27Å; A104-F108 PolarHBondContact O-N 2.82Å; V105-F108 PolarHBondContact O-N 3.04Å; F108-S112 WeakPolarHBondContact O-CB 3.27Å; F108-S112 PolarHBondContact O-N 2.85Å; F108-L126 HydrophobicContact CD1-CD1 4.24Å; F108-L126 HydrophobicContact CE1-CD1 4.15Å; F108-G129 WeakPolarHBondContact CZ-O 3.4Å; F108-I130 HydrophobicContact CE1-CG1 4.11Å; F108-I130 HydrophobicContact CZ-CG1 4.31Å
109	I	88.6	Confident	85.6	Confident	85 Å²	85	55.1 Å²	55.1	44%	0.436	31%	0.305	S	S	.	.	H	α-helix	trans	-64.9	-47.5	174.4	-69.1	167.1	0	0	0	110.5	V105 L106 C107 F111 S112 I113	V105-I109 HydrophobicContact CG1-CD1 3.88Å; V105-I109 WeakPolarHBondContact O-CG1 3.23Å; V105-I109 PolarHBondContact O-N 3.44Å; L106-I109 PolarHBondContact O-N 3.47Å; C107-I109 VanDerWaalsContact C-N 3.34Å; C107-I109 PolarHBondContact O-N 2.93Å; I109-F111 VanDerWaalsContact C-N 3.35Å; I109-F111 PolarHBondContact O-N 2.88Å; I109-S112 WeakPolarHBondContact O-CB 2.96Å; I109-S112 PolarHBondContact O-N 3.08Å; I109-S112 VanDerWaalsContact O-N 3.14Å; I109-I113 HydrophobicContact CG2-CD1 3.72Å; I109-I113 HydrophobicContact CG2-CG1 4.47Å; I109-I113 WeakPolarHBondContact O-CG1 3.41Å; I109-I113 PolarHBondContact O-N 2.88Å
110	A	84.8	Confident	85	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.008	33%	0.334	C	S	.	.	H	α-helix	trans	-58.4	-47.4	178	0	0	0	0	0	111.1	L106 C107 S112 I113 E114 I318	L106-A110 WeakPolarHBondContact O-CB 3.4Å; L106-A110 PolarHBondContact O-N 2.6Å; C107-A110 PolarHBondContact O-N 2.95Å; A110-S112 VanDerWaalsContact C-N 3.33Å; A110-S112 PolarHBondContact O-N 2.9Å; A110-I113 PolarHBondContact O-N 2.95Å; A110-E114 WeakPolarHBondContact O-CG 3.34Å; A110-E114 PolarHBondContact O-N 2.88Å; A110-I318 HydrophobicContact CB-CG1 4.47Å
111	F	87	Confident	84.3	Confident	42 Å²	42	62 Å²	62	18%	0.184	34%	0.343	C	S	.	.	H	α-helix	trans	-60.8	-40.4	175.1	-179.8	-106.3	0	0	0	112.7	C107 I109 I113 E114 S115 P121 N125 L126	C107-F111 WeakPolarHBondContact O-CB 3.11Å; C107-F111 PolarHBondContact O-N 2.85Å; I109-F111 VanDerWaalsContact C-N 3.35Å; I109-F111 PolarHBondContact O-N 2.88Å; F111-I113 VanDerWaalsContact C-N 3.31Å; F111-I113 PolarHBondContact O-N 3.06Å; F111-E114 PolarHBondContact O-N 3.29Å; F111-S115 WeakPolarHBondContact CZ-OG 3.49Å; F111-S115 VanDerWaalsContact O-CB 3.28Å; F111-S115 WeakPolarHBondContact O-CB 3.42Å; F111-S115 PolarHBondContact O-N 3.05Å; F111-S115 PolarHBondContact O-OG 2.85Å; F111-P121 HydrophobicContact CE2-CB 4.35Å; F111-P121 HydrophobicContact CE2-CG 4.41Å; F111-N125 HydrophobicContact CB-CB 3.87Å; F111-L126 HydrophobicContact CD1-CB 4Å; F111-L126 HydrophobicContact CD1-CD1 4.1Å; F111-L126 HydrophobicContact CD1-CG 4.47Å; F111-L126 HydrophobicContact CD2-CB 3.81Å; F111-L126 HydrophobicContact CE1-CB 4.14Å; F111-L126 HydrophobicContact CE1-CD1 4.17Å; F111-L126 HydrophobicContact CE1-CD2 4.03Å; F111-L126 HydrophobicContact CE1-CG 4.35Å; F111-L126 HydrophobicContact CE2-CB 3.95Å; F111-L126 HydrophobicContact CG-CB 3.83Å; F111-L126 HydrophobicContact CZ-CB 4.11Å; F111-L126 HydrophobicContact CZ-CD2 3.96Å
112	S	88	Confident	83.5	Confident	81 Å²	81	61.3 Å²	61.3	57%	0.566	35%	0.347	S	S	*	.	H	α-helix	trans	-64.8	-36.2	177.7	-174.4	0	0	0	0	112.2	F108 I109 A110 G116	F108-S112 WeakPolarHBondContact O-CB 3.27Å; F108-S112 PolarHBondContact O-N 2.85Å; I109-S112 WeakPolarHBondContact O-CB 2.96Å; I109-S112 PolarHBondContact O-N 3.08Å; I109-S112 VanDerWaalsContact O-N 3.14Å; A110-S112 VanDerWaalsContact C-N 3.33Å; A110-S112 PolarHBondContact O-N 2.9Å; S112-G116 PolarHBondContact O-N 3.25Å
113	I	86.4	Confident	83.4	Confident	48 Å²	48	63.3 Å²	63.3	25%	0.246	35%	0.353	C	S	.	.	H	α-helix	trans	-71.1	-48.7	177.1	-66.5	160.6	0	0	0	109.7	I109 A110 F111 S115 G116 T117 W313 L314	I109-I113 HydrophobicContact CG2-CD1 3.72Å; I109-I113 HydrophobicContact CG2-CG1 4.47Å; I109-I113 WeakPolarHBondContact O-CG1 3.41Å; I109-I113 PolarHBondContact O-N 2.88Å; A110-I113 PolarHBondContact O-N 2.95Å; F111-I113 VanDerWaalsContact C-N 3.31Å; F111-I113 PolarHBondContact O-N 3.06Å; I113-S115 VanDerWaalsContact C-N 3.29Å; I113-S115 PolarHBondContact O-N 2.86Å; I113-G116 WeakPolarHBondContact O-CA 3.34Å; I113-G116 PolarHBondContact O-N 2.98Å; I113-T117 HydrophobicContact CG2-CG2 4.42Å; I113-T117 PolarHBondContact O-N 2.75Å; I113-T117 PolarHBondContact O-OG1 2.93Å; I113-W313 HydrophobicContact CD1-CH2 3.69Å; I113-W313 HydrophobicContact CD1-CZ3 4.35Å; I113-L314 HydrophobicContact CB-CD1 4.25Å; I113-L314 HydrophobicContact CD1-CD1 3.77Å; I113-L314 HydrophobicContact CG2-CD1 4.06Å; I113-L314 HydrophobicContact CG2-CD2 4.02Å
114	E	83.2	Confident	83	Confident	18 Å²	18	65.7 Å²	65.7	8%	0.084	37%	0.365	C	S	.	.	H	α-helix	trans	-60.3	-39	179.1	-72.8	173.6	165	0	0	112.4	A110 F111 G116 T117 H118 P121 N125 L314	A110-E114 WeakPolarHBondContact O-CG 3.34Å; A110-E114 PolarHBondContact O-N 2.88Å; F111-E114 PolarHBondContact O-N 3.29Å; E114-G116 PolarHBondContact O-N 3.39Å; E114-T117 WeakPolarHBondContact CA-OG1 3.31Å; E114-T117 PolarHBondContact O-N 2.85Å; E114-T117 PolarHBondContact O-OG1 3.23Å; E114-H118 PolarHBondContact O-N 3.43Å; E114-P121 HydrophobicContact CB-CB 4.18Å; E114-N125 PolarHBondContact OE1-ND2 3.09Å; E114-N125 PolarHBondContact OE2-ND2 2.76Å; E114-L314 HydrophobicContact CG-CD2 4.2Å
115	S	84.7	Confident	82.7	Confident	51 Å²	51	66.5 Å²	66.5	36%	0.357	37%	0.369	S	S	.	.	H	α-helix	trans	-66.8	-23.4	175.4	-59.5	0	0	0	0	112.9	F111 I113	F111-S115 WeakPolarHBondContact CZ-OG 3.49Å; F111-S115 VanDerWaalsContact O-CB 3.28Å; F111-S115 WeakPolarHBondContact O-CB 3.42Å; F111-S115 PolarHBondContact O-N 3.05Å; F111-S115 PolarHBondContact O-OG 2.85Å; I113-S115 VanDerWaalsContact C-N 3.29Å; I113-S115 PolarHBondContact O-N 2.86Å
116	G	85.9	Confident	82.6	Confident	68 Å²	68	65.4 Å²	65.4	70%	0.701	36%	0.36	S	S	*	.	H	α-helix	trans	-85.5	-23.7	173.9	0	0	0	0	0	113.8	S112 I113 E114	S112-G116 PolarHBondContact O-N 3.25Å; I113-G116 WeakPolarHBondContact O-CA 3.34Å; I113-G116 PolarHBondContact O-N 2.98Å; E114-G116 PolarHBondContact O-N 3.39Å
117	T	82.5	Confident	82.5	Confident	87 Å²	87	69.8 Å²	69.8	53%	0.534	38%	0.375	S	S	.	.	H	α-helix	trans	-102.7	-26	-174.9	56.7	0	0	0	0	114.4	I113 E114	I113-T117 HydrophobicContact CG2-CG2 4.42Å; I113-T117 PolarHBondContact O-N 2.75Å; I113-T117 PolarHBondContact O-OG1 2.93Å; E114-T117 WeakPolarHBondContact CA-OG1 3.31Å; E114-T117 PolarHBondContact O-N 2.85Å; E114-T117 PolarHBondContact O-OG1 3.23Å
118	H	74.8	Confident	82.4	Confident	113 Å²	113	70.7 Å²	70.7	52%	0.523	38%	0.379	S	S	.	.			trans	-121.9	140.4	-175.5	-61.5	-60.9	0	0	0	111.5	E114 D120	E114-H118 PolarHBondContact O-N 3.43Å; H118-D120 VanDerWaalsContact C-N 3.29Å; H118-D120 PolarHBondContact O-N 3.22Å
119	E	72.1	Confident	82.3	Confident	195 Å²	195	67.1 Å²	67.1	91%	0.911	36%	0.364	S	S	*	.	S	Bend	trans	-63.9	-34.2	176.6	-73.1	-176.2	161	0	0	112.5
120	D	72.2	Confident	82.5	Confident	132 Å²	132	66.9 Å²	66.9	71%	0.706	36%	0.363	S	S	*	.	S	Bend	trans	-123.9	80.4	177.4	-75.4	-41.1	0	0	0	110.9	H118	H118-D120 VanDerWaalsContact C-N 3.29Å; H118-D120 PolarHBondContact O-N 3.22Å
121	P	71.8	Confident	82.7	Confident	35 Å²	35	69.7 Å²	69.7	23%	0.227	38%	0.379	C	S	.	.			trans	-66.9	137.1	179.5	28.8	-35.8	0	0	0	110.7	F111 E114 K123	F111-P121 HydrophobicContact CE2-CB 4.35Å; F111-P121 HydrophobicContact CE2-CG 4.41Å; E114-P121 HydrophobicContact CB-CB 4.18Å; P121-K123 PolarHBondContact O-N 3.21Å
122	P	75	Confident	82.8	Confident	49 Å²	49	67.7 Å²	67.7	32%	0.318	37%	0.371	S	S	.	.			trans	-61.7	129	172	26.2	-30.8	0	0	0	109.5	D124	P122-D124 PolarHBondContact O-N 2.81Å; P122-D124 VanDerWaalsContact O-N 3.16Å
123	K	83.3	Confident	83	Confident	125 Å²	125	64.9 Å²	64.9	54%	0.543	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	0.5	179.4	-64.2	-178	179.8	178	0	113.2	P121 N125 L126 Y127	P121-K123 PolarHBondContact O-N 3.21Å; K123-N125 PolarHBondContact O-N 2.74Å; K123-L126 WeakPolarHBondContact O-CB 3.34Å; K123-L126 PolarHBondContact O-N 3.46Å; K123-L126 VanDerWaalsContact O-N 3.11Å; K123-Y127 HydrophobicContact CB-CD2 3.78Å; K123-Y127 HydrophobicContact CB-CE2 3.62Å; K123-Y127 HydrophobicContact CD-CE2 4.22Å; K123-Y127 WeakPolarHBondContact O-CD2 3.27Å; K123-Y127 PolarHBondContact O-N 3Å
124	D	78.7	Confident	83.2	Confident	53 Å²	53	66.5 Å²	66.5	28%	0.283	36%	0.363	S	S	.	.	H	α-helix	trans	-63	-45.7	-169.7	-59.3	-7.4	0	0	0	111.2	P122 L126 Y127 L128 R974	P122-D124 PolarHBondContact O-N 2.81Å; P122-D124 VanDerWaalsContact O-N 3.16Å; D124-L126 VanDerWaalsContact C-N 3.3Å; D124-L126 PolarHBondContact O-N 3.11Å; D124-Y127 PolarHBondContact O-N 3.49Å; D124-L128 VanDerWaalsContact O-CB 3.28Å; D124-L128 WeakPolarHBondContact O-CB 3.32Å; D124-L128 PolarHBondContact O-N 3.19Å; D124-R974 IonicContact OD1-CZ 2.67Å; D124-R974 IonicContact OD1-NH1 3.12Å; D124-R974 IonicContact OD1-NH2 2.7Å; D124-R974 PolarHBondContact OD1-NH2 2.91Å; D124-R974 IonicContact OD2-CZ 3.34Å; D124-R974 IonicContact OD2-NH1 3.65Å; D124-R974 PolarHBondContact OD2-NH1 3.31Å; D124-R974 IonicContact OD2-NH2 2.62Å; D124-R974 PolarHBondContact OD2-NH2 2.85Å
125	N	82.3	Confident	83.5	Confident	17 Å²	17	66.2 Å²	66.2	9%	0.091	36%	0.362	C	S	.	.	H	α-helix	trans	-63.6	-35.7	176.4	-70	-32.1	0	0	0	111.8	C107 F111 E114 K123 G129	C107-N125 WeakPolarHBondContact CB-O 3.23Å; F111-N125 HydrophobicContact CB-CB 3.87Å; E114-N125 PolarHBondContact OE1-ND2 3.09Å; E114-N125 PolarHBondContact OE2-ND2 2.76Å; K123-N125 PolarHBondContact O-N 2.74Å; N125-G129 PolarHBondContact O-N 3.14Å
126	L	88.5	Confident	83.8	Confident	54 Å²	54	63.8 Å²	63.8	28%	0.283	35%	0.345	S	S	.	.	H	α-helix	trans	-66.5	-49.6	174.8	178.9	66.6	0	0	0	111.6	F108 F111 K123 D124 L128 G129 I130	F108-L126 HydrophobicContact CD1-CD1 4.24Å; F108-L126 HydrophobicContact CE1-CD1 4.15Å; F111-L126 HydrophobicContact CD1-CB 4Å; F111-L126 HydrophobicContact CD1-CD1 4.1Å; F111-L126 HydrophobicContact CD1-CG 4.47Å; F111-L126 HydrophobicContact CD2-CB 3.81Å; F111-L126 HydrophobicContact CE1-CB 4.14Å; F111-L126 HydrophobicContact CE1-CD1 4.17Å; F111-L126 HydrophobicContact CE1-CD2 4.03Å; F111-L126 HydrophobicContact CE1-CG 4.35Å; F111-L126 HydrophobicContact CE2-CB 3.95Å; F111-L126 HydrophobicContact CG-CB 3.83Å; F111-L126 HydrophobicContact CZ-CB 4.11Å; F111-L126 HydrophobicContact CZ-CD2 3.96Å; K123-L126 WeakPolarHBondContact O-CB 3.34Å; K123-L126 PolarHBondContact O-N 3.46Å; K123-L126 VanDerWaalsContact O-N 3.11Å; D124-L126 VanDerWaalsContact C-N 3.3Å; D124-L126 PolarHBondContact O-N 3.11Å; L126-L128 VanDerWaalsContact C-N 3.35Å; L126-G129 PolarHBondContact O-N 2.83Å; L126-I130 HydrophobicContact CD1-CD1 4.22Å; L126-I130 HydrophobicContact CG-CD1 4.12Å; L126-I130 WeakPolarHBondContact O-CG1 3.29Å; L126-I130 PolarHBondContact O-N 3.07Å
127	Y	86.2	Confident	84	Confident	137 Å²	137	63.6 Å²	63.6	54%	0.537	33%	0.33	S	S	.	.	H	α-helix	trans	-61.8	-44.1	178.4	-78.2	-71.4	0	0	0	111.3	K123 D124 I130 V131	K123-Y127 HydrophobicContact CB-CD2 3.78Å; K123-Y127 HydrophobicContact CB-CE2 3.62Å; K123-Y127 HydrophobicContact CD-CE2 4.22Å; K123-Y127 WeakPolarHBondContact O-CD2 3.27Å; K123-Y127 PolarHBondContact O-N 3Å; D124-Y127 PolarHBondContact O-N 3.49Å; Y127-I130 PolarHBondContact O-N 2.96Å; Y127-V131 VanDerWaalsContact O-CG2 3.26Å; Y127-V131 WeakPolarHBondContact O-CG2 3.38Å; Y127-V131 PolarHBondContact O-N 2.84Å
128	L	84.5	Confident	84.4	Confident	19 Å²	19	62.8 Å²	62.8	10%	0.099	33%	0.325	C	S	.	.	H	α-helix	trans	-61	-46.3	177.5	-176.6	60.8	0	0	0	111.5	D124 L126 I130 V131 L132 T799 L803	D124-L128 VanDerWaalsContact O-CB 3.28Å; D124-L128 WeakPolarHBondContact O-CB 3.32Å; D124-L128 PolarHBondContact O-N 3.19Å; L126-L128 VanDerWaalsContact C-N 3.35Å; L128-I130 VanDerWaalsContact C-N 3.33Å; L128-I130 PolarHBondContact O-N 3.25Å; L128-V131 PolarHBondContact O-N 3.31Å; L128-L132 HydrophobicContact CD1-CD1 4.25Å; L128-L132 HydrophobicContact CD1-CG 4.12Å; L128-L132 HydrophobicContact CG-CD1 4.08Å; L128-L132 HydrophobicContact CG-CG 4.37Å; L128-L132 WeakPolarHBondContact O-CB 3.34Å; L128-L132 VanDerWaalsContact O-CG 3.31Å; L128-L132 WeakPolarHBondContact O-CG 3.47Å; L128-L132 PolarHBondContact O-N 3.22Å; L128-T799 HydrophobicContact CD1-CG2 3.53Å; L128-T799 HydrophobicContact CD2-CG2 3.88Å; L128-T799 HydrophobicContact CG-CG2 4.38Å; L128-L803 HydrophobicContact CD1-CD1 4.03Å
129	G	88.8	Confident	84.8	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59.8	-40.5	176.5	0	0	0	0	0	113.2	F108 N125 L126 S133	F108-G129 WeakPolarHBondContact CZ-O 3.4Å; N125-G129 PolarHBondContact O-N 3.14Å; L126-G129 PolarHBondContact O-N 2.83Å; G129-S133 WeakPolarHBondContact O-CB 3.39Å; G129-S133 PolarHBondContact O-N 3.43Å; G129-S133 VanDerWaalsContact O-N 3.09Å; G129-S133 PolarHBondContact O-OG 3.33Å
130	I	92.4	Very high	85.4	Confident	80 Å²	80	48.7 Å²	48.7	41%	0.41	26%	0.26	S	S	.	.	H	α-helix	trans	-65.1	-48.3	174.9	-67.8	168	0	0	0	110.6	F108 L126 Y127 L128 S133 V134	F108-I130 HydrophobicContact CE1-CG1 4.11Å; F108-I130 HydrophobicContact CZ-CG1 4.31Å; L126-I130 HydrophobicContact CD1-CD1 4.22Å; L126-I130 HydrophobicContact CG-CD1 4.12Å; L126-I130 WeakPolarHBondContact O-CG1 3.29Å; L126-I130 PolarHBondContact O-N 3.07Å; Y127-I130 PolarHBondContact O-N 2.96Å; L128-I130 VanDerWaalsContact C-N 3.33Å; L128-I130 PolarHBondContact O-N 3.25Å; I130-S133 WeakPolarHBondContact O-CB 3.34Å; I130-S133 PolarHBondContact O-N 3.29Å; I130-V134 HydrophobicContact CG2-CG2 4.42Å; I130-V134 WeakPolarHBondContact O-CG2 3.44Å; I130-V134 PolarHBondContact O-N 2.74Å
131	V	88.8	Confident	86.2	Confident	60 Å²	60	45.1 Å²	45.1	36%	0.364	25%	0.245	S	C	.	.	H	α-helix	trans	-62.2	-48.3	-178.1	173.6	0	0	0	0	110.6	Y127 L128 S133 V134 V135 L803	Y127-V131 VanDerWaalsContact O-CG2 3.26Å; Y127-V131 WeakPolarHBondContact O-CG2 3.38Å; Y127-V131 PolarHBondContact O-N 2.84Å; L128-V131 PolarHBondContact O-N 3.31Å; V131-S133 VanDerWaalsContact C-N 3.29Å; V131-S133 PolarHBondContact O-N 3.46Å; V131-V134 PolarHBondContact O-N 3.01Å; V131-V134 VanDerWaalsContact O-N 3.09Å; V131-V135 HydrophobicContact CG1-CG2 4.28Å; V131-V135 VanDerWaalsContact O-CG2 3.28Å; V131-V135 WeakPolarHBondContact O-CG2 3.2Å; V131-V135 PolarHBondContact O-N 2.91Å; V131-L803 HydrophobicContact CG1-CD1 3.7Å
132	L	88.4	Confident	86.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.1	-41.6	176.2	-68.4	177.4	0	0	0	111.8	L100 A104 L128 V134 V135 V136 V325	L100-L132 HydrophobicContact CD2-CD2 4.17Å; A104-L132 HydrophobicContact CB-CB 3.92Å; L128-L132 HydrophobicContact CD1-CD1 4.25Å; L128-L132 HydrophobicContact CD1-CG 4.12Å; L128-L132 HydrophobicContact CG-CD1 4.08Å; L128-L132 HydrophobicContact CG-CG 4.37Å; L128-L132 WeakPolarHBondContact O-CB 3.34Å; L128-L132 VanDerWaalsContact O-CG 3.31Å; L128-L132 WeakPolarHBondContact O-CG 3.47Å; L128-L132 PolarHBondContact O-N 3.22Å; L132-V134 PolarHBondContact O-N 3.36Å; L132-V135 PolarHBondContact O-N 3.05Å; L132-V136 WeakPolarHBondContact O-CG2 3.41Å; L132-V136 PolarHBondContact O-N 3.31Å; L132-V325 HydrophobicContact CD1-CG2 4.02Å; L132-V325 HydrophobicContact CD2-CG1 4.35Å; L132-V325 HydrophobicContact CD2-CG2 4.32Å
133	S	91.8	Very high	86.8	Confident	21 Å²	21	46.7 Å²	46.7	15%	0.147	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-42.5	175.8	-57.9	0	0	0	0	112	G129 I130 V131 V136 V137	G129-S133 WeakPolarHBondContact O-CB 3.39Å; G129-S133 PolarHBondContact O-N 3.43Å; G129-S133 VanDerWaalsContact O-N 3.09Å; G129-S133 PolarHBondContact O-OG 3.33Å; I130-S133 WeakPolarHBondContact O-CB 3.34Å; I130-S133 PolarHBondContact O-N 3.29Å; V131-S133 VanDerWaalsContact C-N 3.29Å; V131-S133 PolarHBondContact O-N 3.46Å; S133-V136 PolarHBondContact O-N 3.39Å; S133-V137 WeakPolarHBondContact O-CG2 3.32Å; S133-V137 PolarHBondContact O-N 2.93Å; S133-V137 VanDerWaalsContact O-N 3.08Å
134	V	92	Very high	86.8	Confident	83 Å²	83	43.6 Å²	43.6	50%	0.503	23%	0.232	S	C	.	.	H	α-helix	trans	-64.6	-42.8	176.6	170.7	0	0	0	0	110.9	I130 V131 L132 V136 V137 V138	I130-V134 HydrophobicContact CG2-CG2 4.42Å; I130-V134 WeakPolarHBondContact O-CG2 3.44Å; I130-V134 PolarHBondContact O-N 2.74Å; V131-V134 PolarHBondContact O-N 3.01Å; V131-V134 VanDerWaalsContact O-N 3.09Å; L132-V134 PolarHBondContact O-N 3.36Å; V134-V136 VanDerWaalsContact C-N 3.32Å; V134-V136 PolarHBondContact O-N 3.1Å; V134-V137 PolarHBondContact O-N 3.01Å; V134-V138 HydrophobicContact CG1-CG2 4.17Å; V134-V138 WeakPolarHBondContact O-CG2 3.48Å; V134-V138 PolarHBondContact O-N 2.92Å
135	V	88.8	Confident	86.8	Confident	12 Å²	12	47 Å²	47	7%	0.073	24%	0.242	C	C	.	.	H	α-helix	trans	-58.6	-45	176.7	170.8	0	0	0	0	110.8	L100 V131 L132 V137 V138 T139 E330 L807	L100-V135 HydrophobicContact CD1-CG1 4.29Å; V131-V135 HydrophobicContact CG1-CG2 4.28Å; V131-V135 VanDerWaalsContact O-CG2 3.28Å; V131-V135 WeakPolarHBondContact O-CG2 3.2Å; V131-V135 PolarHBondContact O-N 2.91Å; L132-V135 PolarHBondContact O-N 3.05Å; V135-V137 VanDerWaalsContact C-N 3.35Å; V135-V137 PolarHBondContact O-N 3.39Å; V135-V138 PolarHBondContact O-N 3.27Å; V135-T139 HydrophobicContact CG1-CG2 4.32Å; V135-T139 WeakPolarHBondContact O-CB 3.45Å; V135-T139 VanDerWaalsContact O-CG2 3.3Å; V135-T139 WeakPolarHBondContact O-CG2 3.46Å; V135-T139 PolarHBondContact O-N 2.92Å; V135-T139 PolarHBondContact O-OG1 2.99Å; V135-E330 HydrophobicContact CG1-CB 3.93Å; V135-E330 HydrophobicContact CG1-CG 4.21Å; V135-L807 HydrophobicContact CG1-CD1 4.31Å; V135-L807 HydrophobicContact CG2-CD1 3.42Å; V135-L807 VanDerWaalsContact CG2-CD1 3.42Å
136	V	90.2	Very high	86.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.5	-40.2	177.1	177.1	0	0	0	0	112.2	L92 L100 W101 L132 S133 V134 T139 G140	L92-V136 HydrophobicContact CD2-CG1 4.38Å; L100-V136 HydrophobicContact CB-CG2 3.34Å; L100-V136 HydrophobicContact CD1-CG2 3.91Å; L100-V136 HydrophobicContact CG-CG2 4.29Å; W101-V136 HydrophobicContact CD2-CG1 4.28Å; W101-V136 HydrophobicContact CG-CG1 4.42Å; W101-V136 HydrophobicContact CZ2-CB 4.28Å; W101-V136 HydrophobicContact CZ2-CG1 3.85Å; L132-V136 WeakPolarHBondContact O-CG2 3.41Å; L132-V136 PolarHBondContact O-N 3.31Å; S133-V136 PolarHBondContact O-N 3.39Å; V134-V136 VanDerWaalsContact C-N 3.32Å; V134-V136 PolarHBondContact O-N 3.1Å; V136-T139 WeakPolarHBondContact CA-OG1 3.46Å; V136-T139 PolarHBondContact O-OG1 3.02Å; V136-G140 PolarHBondContact O-N 3.34Å
137	V	91.7	Very high	85.3	Confident	63 Å²	63	48.5 Å²	48.5	38%	0.382	25%	0.247	S	C	.	.	H	α-helix	trans	-65.9	-45	176.9	172.5	0	0	0	0	111.4	S133 V134 V135 G140 C141	S133-V137 WeakPolarHBondContact O-CG2 3.32Å; S133-V137 PolarHBondContact O-N 2.93Å; S133-V137 VanDerWaalsContact O-N 3.08Å; V134-V137 PolarHBondContact O-N 3.01Å; V135-V137 VanDerWaalsContact C-N 3.35Å; V135-V137 PolarHBondContact O-N 3.39Å; V137-G140 PolarHBondContact O-N 2.9Å; V137-C141 PolarHBondContact O-N 3.48Å; V137-C141 PolarHBondContact O-SG 3.35Å
138	V	89.1	Confident	84.3	Confident	70 Å²	70	43.9 Å²	43.9	42%	0.424	24%	0.235	S	C	.	.	H	α-helix	trans	-65	-47.5	-179.8	172.1	0	0	0	0	110.9	V134 V135 G140 C141 F142	V134-V138 HydrophobicContact CG1-CG2 4.17Å; V134-V138 WeakPolarHBondContact O-CG2 3.48Å; V134-V138 PolarHBondContact O-N 2.92Å; V135-V138 PolarHBondContact O-N 3.27Å; V138-G140 VanDerWaalsContact C-N 3.34Å; V138-G140 PolarHBondContact O-N 2.88Å; V138-C141 WeakPolarHBondContact O-CB 3.4Å; V138-C141 PolarHBondContact O-N 3.19Å; V138-F142 HydrophobicContact CG1-CD2 3.99Å; V138-F142 HydrophobicContact CG1-CE2 3.78Å; V138-F142 VanDerWaalsContact O-CD2 3.29Å; V138-F142 WeakPolarHBondContact O-CD2 3.35Å; V138-F142 PolarHBondContact O-N 3.14Å; V138-F142 VanDerWaalsContact O-N 3.1Å
139	T	83.8	Confident	83	Confident	12 Å²	12	48.3 Å²	48.3	7%	0.074	25%	0.254	C	S	.	.	H	α-helix	trans	-60.6	-43.6	175.7	51.5	0	0	0	0	111.2	V135 V136 C141 F142 S143	V135-T139 HydrophobicContact CG1-CG2 4.32Å; V135-T139 WeakPolarHBondContact O-CB 3.45Å; V135-T139 VanDerWaalsContact O-CG2 3.3Å; V135-T139 WeakPolarHBondContact O-CG2 3.46Å; V135-T139 PolarHBondContact O-N 2.92Å; V135-T139 PolarHBondContact O-OG1 2.99Å; V136-T139 WeakPolarHBondContact CA-OG1 3.46Å; V136-T139 PolarHBondContact O-OG1 3.02Å; T139-C141 VanDerWaalsContact C-N 3.31Å; T139-C141 PolarHBondContact O-N 2.95Å; T139-F142 PolarHBondContact O-N 3.42Å; T139-F142 VanDerWaalsContact O-N 3.15Å; T139-S143 PolarHBondContact O-N 3.32Å; T139-S143 PolarHBondContact O-OG 3.45Å
140	G	85.6	Confident	81.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-35.4	174.7	0	0	0	0	0	113.9	T91 V136 V137 V138 Y144	T91-G140 PolarHBondContact OG1-O 3.42Å; V136-G140 PolarHBondContact O-N 3.34Å; V137-G140 PolarHBondContact O-N 2.9Å; V138-G140 VanDerWaalsContact C-N 3.34Å; V138-G140 PolarHBondContact O-N 2.88Å; G140-Y144 VanDerWaalsContact O-CB 3.24Å; G140-Y144 WeakPolarHBondContact O-CB 3.3Å; G140-Y144 PolarHBondContact O-N 3.1Å
141	C	87.9	Confident	79.6	Confident	58 Å²	58	49.1 Å²	49.1	39%	0.392	27%	0.267	S	S	.	.	H	α-helix	trans	-65.2	-43.5	172.7	-74.4	0	0	0	0	112.3	V137 V138 T139 Y144 Y145	V137-C141 PolarHBondContact O-N 3.48Å; V137-C141 PolarHBondContact O-SG 3.35Å; V138-C141 WeakPolarHBondContact O-CB 3.4Å; V138-C141 PolarHBondContact O-N 3.19Å; T139-C141 VanDerWaalsContact C-N 3.31Å; T139-C141 PolarHBondContact O-N 2.95Å; C141-Y144 PolarHBondContact O-N 3.09Å; C141-Y145 WeakPolarHBondContact O-CB 3.31Å; C141-Y145 PolarHBondContact O-N 3.49Å
142	F	81.8	Confident	78.5	Confident	88 Å²	88	53.4 Å²	53.4	39%	0.386	28%	0.276	S	S	.	.	H	α-helix	trans	-62.7	-46.9	175.2	-82.2	-74.9	0	0	0	111.5	V138 T139 Y144 Y145 Q146	V138-F142 HydrophobicContact CG1-CD2 3.99Å; V138-F142 HydrophobicContact CG1-CE2 3.78Å; V138-F142 VanDerWaalsContact O-CD2 3.29Å; V138-F142 WeakPolarHBondContact O-CD2 3.35Å; V138-F142 PolarHBondContact O-N 3.14Å; V138-F142 VanDerWaalsContact O-N 3.1Å; T139-F142 PolarHBondContact O-N 3.42Å; T139-F142 VanDerWaalsContact O-N 3.15Å; F142-Y144 PolarHBondContact O-N 2.73Å; F142-Y145 PolarHBondContact O-N 3.49Å; F142-Q146 PolarHBondContact O-N 2.67Å; F142-Q146 VanDerWaalsContact O-N 3.12Å
143	S	78.6	Confident	77.1	Confident	29 Å²	29	54.3 Å²	54.3	20%	0.203	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-40	177.5	-58.3	0	0	0	0	112.5	T139 Q146 E147	T139-S143 PolarHBondContact O-N 3.32Å; T139-S143 PolarHBondContact O-OG 3.45Å; S143-Q146 WeakPolarHBondContact O-CB 3.41Å; S143-Q146 PolarHBondContact O-N 3Å; S143-E147 PolarHBondContact O-N 2.98Å; S143-E147 VanDerWaalsContact O-N 3.16Å
144	Y	82.8	Confident	75.4	Confident	59 Å²	59	54.4 Å²	54.4	23%	0.231	28%	0.279	C	S	.	.	H	α-helix	trans	-66.8	-39.3	175.4	172.2	-101.5	0	0	0	112.3	E84 K87 F88 G140 C141 F142 Q146 E147 S148	E84-Y144 PolarHBondContact OE2-OH 2.87Å; K87-Y144 HydrophobicContact CB-CD2 4.4Å; K87-Y144 HydrophobicContact CB-CE2 4.23Å; F88-Y144 HydrophobicContact CB-CD2 3.85Å; F88-Y144 HydrophobicContact CB-CE2 4.09Å; F88-Y144 HydrophobicContact CB-CG 4.29Å; F88-Y144 HydrophobicContact CD2-CD1 4.06Å; F88-Y144 HydrophobicContact CD2-CD2 4.13Å; F88-Y144 AromaticContact CD2-CG 3.69Å; F88-Y144 HydrophobicContact CD2-CG 3.69Å; F88-Y144 HydrophobicContact CG-CG 4.49Å; G140-Y144 VanDerWaalsContact O-CB 3.24Å; G140-Y144 WeakPolarHBondContact O-CB 3.3Å; G140-Y144 PolarHBondContact O-N 3.1Å; C141-Y144 PolarHBondContact O-N 3.09Å; F142-Y144 PolarHBondContact O-N 2.73Å; Y144-Q146 PolarHBondContact O-N 3.39Å; Y144-E147 PolarHBondContact O-N 2.84Å; Y144-E147 VanDerWaalsContact O-N 3.15Å; Y144-S148 WeakPolarHBondContact O-CB 3.49Å; Y144-S148 PolarHBondContact O-N 2.91Å; Y144-S148 PolarHBondContact O-OG 3.2Å
145	Y	78.1	Confident	74.3	Confident	124 Å²	124	54.8 Å²	54.8	49%	0.486	28%	0.275	S	S	.	.	H	α-helix	trans	-59.6	-38.7	176.1	-177.3	-98.5	0	0	0	111.5	C141 F142 S148 K149	C141-Y145 WeakPolarHBondContact O-CB 3.31Å; C141-Y145 PolarHBondContact O-N 3.49Å; F142-Y145 PolarHBondContact O-N 3.49Å; Y145-S148 PolarHBondContact O-OG 3.11Å; Y145-K149 WeakPolarHBondContact OH-CE 3.23Å; Y145-K149 PolarHBondContact OH-NZ 3.31Å
146	Q	70.8	Confident	73.3	Confident	20 Å²	20	54.6 Å²	54.6	9%	0.093	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-43.6	173.4	173.7	174.9	-11.1	0	0	112.6	F142 S143 Y144 T337 L357 E358	F142-Q146 PolarHBondContact O-N 2.67Å; F142-Q146 VanDerWaalsContact O-N 3.12Å; S143-Q146 WeakPolarHBondContact O-CB 3.41Å; S143-Q146 PolarHBondContact O-N 3Å; Y144-Q146 PolarHBondContact O-N 3.39Å; Q146-T337 HydrophobicContact CB-CG2 4.46Å; Q146-T337 PolarHBondContact OE1-OG1 2.87Å; Q146-L357 HydrophobicContact CB-CD1 4.23Å; Q146-L357 HydrophobicContact CG-CB 4.23Å; Q146-L357 HydrophobicContact CG-CD1 4.17Å; Q146-E358 PolarHBondContact NE2-OE1 2.95Å
147	E	68.6	Low	72.1	Confident	83 Å²	83	54.6 Å²	54.6	39%	0.388	28%	0.275	S	S	.	.	H	α-helix	trans	-76.8	-32.6	-179.1	-72.2	-168.2	176.3	0	0	114.3	S143 Y144 K149	S143-E147 PolarHBondContact O-N 2.98Å; S143-E147 VanDerWaalsContact O-N 3.16Å; Y144-E147 PolarHBondContact O-N 2.84Å; Y144-E147 VanDerWaalsContact O-N 3.15Å; E147-K149 VanDerWaalsContact C-N 3.26Å; E147-K149 PolarHBondContact O-N 2.96Å; E147-K149 VanDerWaalsContact O-N 3.13Å
148	S	65	Low	71	Confident	41 Å²	41	58.4 Å²	58.4	29%	0.287	29%	0.286	S	S	.	.	H	α-helix	trans	-66.5	-19.4	-166.8	69.2	0	0	0	0	115.2	Y144 Y145 S150	Y144-S148 WeakPolarHBondContact O-CB 3.49Å; Y144-S148 PolarHBondContact O-N 2.91Å; Y144-S148 PolarHBondContact O-OG 3.2Å; Y145-S148 PolarHBondContact O-OG 3.11Å; S148-S150 VanDerWaalsContact C-N 3.25Å; S148-S150 PolarHBondContact O-N 3.25Å; S148-S150 VanDerWaalsContact O-N 3.16Å
149	K	58.5	Low	70.1	Confident	111 Å²	111	62.3 Å²	62.3	48%	0.483	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-1.3	-172.7	-75.2	-174.8	179.5	174.3	0	115.4	Y145 E147	Y145-K149 WeakPolarHBondContact OH-CE 3.23Å; Y145-K149 PolarHBondContact OH-NZ 3.31Å; E147-K149 VanDerWaalsContact C-N 3.26Å; E147-K149 PolarHBondContact O-N 2.96Å; E147-K149 VanDerWaalsContact O-N 3.13Å
150	S	53.3	Low	69.3	Low	21 Å²	21	63.5 Å²	63.5	15%	0.147	30%	0.302	C	S	.	.			trans	-119.2	33.6	-157.4	-157.5	0	0	0	0	119.7	S148	S148-S150 VanDerWaalsContact C-N 3.25Å; S148-S150 PolarHBondContact O-N 3.25Å; S148-S150 VanDerWaalsContact O-N 3.16Å
151	S	57	Low	68.5	Low	77 Å²	77	64.6 Å²	64.6	54%	0.538	31%	0.308	S	S	.	.			trans	-153.1	89.3	177.7	-63.7	0	0	0	0	116.9
152	R	64.2	Low	67.5	Low	150 Å²	150	62.7 Å²	62.7	57%	0.566	30%	0.295	S	S	*	.			trans	-139.3	31.9	166.9	-58.7	-174.4	93	174.2	1.6	114.4	M154 E155	R152-M154 PolarHBondContact O-N 3.18Å; R152-E155 IonicContact CZ-OE1 2.64Å; R152-E155 IonicContact CZ-OE2 2.95Å; R152-E155 IonicContact NE-OE1 3.33Å; R152-E155 PolarHBondContact NE-OE1 2.88Å; R152-E155 IonicContact NE-OE2 3.95Å; R152-E155 PolarHBondContact NE-OE2 3.26Å; R152-E155 VanDerWaalsContact NH2-CD 3.29Å; R152-E155 IonicContact NH2-OE1 2.66Å; R152-E155 PolarHBondContact NH2-OE1 3.05Å; R152-E155 IonicContact NH2-OE2 3.17Å; R152-E155 PolarHBondContact NH2-OE2 3.41Å; R152-E155 PolarHBondContact O-N 2.74Å
153	I	58.6	Low	67.1	Low	19 Å²	19	66.9 Å²	66.9	10%	0.097	32%	0.316	C	S	.	.	H	α-helix	trans	-58	-48.9	-176.6	-64.2	170.6	0	0	0	112.4	E155 S156 F157 K721 Q739	I153-E155 VanDerWaalsContact C-N 3.28Å; I153-E155 PolarHBondContact O-N 3.21Å; I153-S156 PolarHBondContact O-N 3.11Å; I153-S156 VanDerWaalsContact O-N 3.1Å; I153-S156 PolarHBondContact O-OG 2.98Å; I153-F157 HydrophobicContact CG2-CD2 4.08Å; I153-F157 HydrophobicContact CG2-CE2 3.68Å; I153-K721 HydrophobicContact CD1-CD 4Å; I153-Q739 HydrophobicContact CB-CB 4.49Å; I153-Q739 HydrophobicContact CG1-CB 4.11Å; I153-Q739 WeakPolarHBondContact CG1-O 3.37Å
154	M	57.4	Low	67.6	Low	23 Å²	23	68.9 Å²	68.9	11%	0.113	33%	0.327	C	S	.	.	H	α-helix	trans	-65.8	-29.3	-175.6	-171.6	60.4	69	0	0	113.7	L76 P78 R152 S156 F157 K158	L76-M154 HydrophobicContact CB-SD 4.19Å; P78-M154 HydrophobicContact CB-CG 3.95Å; R152-M154 PolarHBondContact O-N 3.18Å; M154-S156 PolarHBondContact O-N 3.16Å; M154-F157 PolarHBondContact O-N 2.89Å; M154-F157 HydrophobicContact SD-CB 4.12Å; M154-F157 HydrophobicContact SD-CD2 4.49Å; M154-K158 PolarHBondContact O-N 2.87Å
155	E	68.2	Low	67.9	Low	90 Å²	90	66.5 Å²	66.5	42%	0.421	32%	0.32	S	S	.	.	H	α-helix	trans	-62.7	-30.6	176.6	-70.2	-175.1	-171.4	0	0	111.9	R152 I153 K159	R152-E155 IonicContact CZ-OE1 2.64Å; R152-E155 IonicContact CZ-OE2 2.95Å; R152-E155 IonicContact NE-OE1 3.33Å; R152-E155 PolarHBondContact NE-OE1 2.88Å; R152-E155 IonicContact NE-OE2 3.95Å; R152-E155 PolarHBondContact NE-OE2 3.26Å; R152-E155 VanDerWaalsContact NH2-CD 3.29Å; R152-E155 IonicContact NH2-OE1 2.66Å; R152-E155 PolarHBondContact NH2-OE1 3.05Å; R152-E155 IonicContact NH2-OE2 3.17Å; R152-E155 PolarHBondContact NH2-OE2 3.41Å; R152-E155 PolarHBondContact O-N 2.74Å; I153-E155 VanDerWaalsContact C-N 3.28Å; I153-E155 PolarHBondContact O-N 3.21Å; E155-K159 WeakPolarHBondContact O-CG 3.38Å; E155-K159 PolarHBondContact O-N 2.85Å
156	S	67.8	Low	68.6	Low	8 Å²	8	63.7 Å²	63.7	6%	0.056	31%	0.313	C	S	.	.	H	α-helix	trans	-70.7	-42.3	175.5	68.6	0	0	0	0	112.3	I153 M154 K158 K159	I153-S156 PolarHBondContact O-N 3.11Å; I153-S156 VanDerWaalsContact O-N 3.1Å; I153-S156 PolarHBondContact O-OG 2.98Å; M154-S156 PolarHBondContact O-N 3.16Å; S156-K158 VanDerWaalsContact C-N 3.33Å; S156-K158 PolarHBondContact O-N 3.49Å; S156-K159 PolarHBondContact O-N 3.27Å
157	F	65.4	Low	69.7	Low	1 Å²	1	62.8 Å²	62.8	0%	0.004	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-39.5	174.2	-72.9	-73.4	0	0	0	112.1	L76 I153 M154 K159 M160 M263 A267 V714 V736	L76-F157 HydrophobicContact CD1-CB 3.83Å; L76-F157 HydrophobicContact CD1-CG 4.5Å; I153-F157 HydrophobicContact CG2-CD2 4.08Å; I153-F157 HydrophobicContact CG2-CE2 3.68Å; M154-F157 PolarHBondContact O-N 2.89Å; M154-F157 HydrophobicContact SD-CB 4.12Å; M154-F157 HydrophobicContact SD-CD2 4.49Å; F157-K159 VanDerWaalsContact C-N 3.25Å; F157-K159 PolarHBondContact O-N 2.92Å; F157-M160 HydrophobicContact CB-CE 4.43Å; F157-M160 HydrophobicContact CD1-CE 3.31Å; F157-M160 HydrophobicContact CE1-CE 3.9Å; F157-M160 HydrophobicContact CG-CE 4.2Å; F157-M160 WeakPolarHBondContact O-CB 3.39Å; F157-M160 PolarHBondContact O-N 3.3Å; F157-M263 HydrophobicContact CD1-CE 3.85Å; F157-M263 HydrophobicContact CE1-CE 3.27Å; F157-M263 HydrophobicContact CZ-CE 4.26Å; F157-A267 HydrophobicContact CD1-CB 3.77Å; F157-A267 HydrophobicContact CD2-CB 4.03Å; F157-A267 HydrophobicContact CE1-CB 3.83Å; F157-A267 HydrophobicContact CE2-CB 4.01Å; F157-A267 HydrophobicContact CG-CB 3.89Å; F157-A267 HydrophobicContact CZ-CB 3.89Å; F157-V714 HydrophobicContact CE1-CG1 4.08Å; F157-V736 HydrophobicContact CD1-CG1 4.27Å; F157-V736 HydrophobicContact CD1-CG2 3.87Å; F157-V736 HydrophobicContact CD2-CG1 4.34Å; F157-V736 HydrophobicContact CE1-CB 4.23Å; F157-V736 HydrophobicContact CE1-CG1 3.42Å; F157-V736 VanDerWaalsContact CE1-CG1 3.42Å; F157-V736 HydrophobicContact CE1-CG2 3.74Å; F157-V736 HydrophobicContact CE2-CG1 3.59Å; F157-V736 HydrophobicContact CG-CG2 4.3Å; F157-V736 HydrophobicContact CZ-CB 4.28Å; F157-V736 HydrophobicContact CZ-CG1 3.08Å; F157-V736 HydrophobicContact CZ-CG2 4.2Å
158	K	68	Low	70.9	Confident	143 Å²	143	59.1 Å²	59.1	62%	0.622	29%	0.292	S	S	*	.	H	α-helix	trans	-62.2	-32.2	177.9	-167.8	174.4	-178.4	176.4	0	112.8	M154 S156 M160 I161	M154-K158 PolarHBondContact O-N 2.87Å; S156-K158 VanDerWaalsContact C-N 3.33Å; S156-K158 PolarHBondContact O-N 3.49Å; K158-M160 PolarHBondContact O-N 3.05Å; K158-I161 WeakPolarHBondContact O-CG1 3.46Å; K158-I161 PolarHBondContact O-N 2.79Å
159	K	70.5	Confident	72.2	Confident	152 Å²	152	59.1 Å²	59.1	66%	0.661	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-16.4	174.9	-71.5	176	-179.1	-178.1	0	113.5	E155 S156 F157	E155-K159 WeakPolarHBondContact O-CG 3.38Å; E155-K159 PolarHBondContact O-N 2.85Å; S156-K159 PolarHBondContact O-N 3.27Å; F157-K159 VanDerWaalsContact C-N 3.25Å; F157-K159 PolarHBondContact O-N 2.92Å
160	M	66.2	Low	73.7	Confident	36 Å²	36	56.3 Å²	56.3	18%	0.177	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-18.2	179.2	-63.7	-164.8	-67	0	0	113.4	F157 K158 R194 V714 V736	F157-M160 HydrophobicContact CB-CE 4.43Å; F157-M160 HydrophobicContact CD1-CE 3.31Å; F157-M160 HydrophobicContact CE1-CE 3.9Å; F157-M160 HydrophobicContact CG-CE 4.2Å; F157-M160 WeakPolarHBondContact O-CB 3.39Å; F157-M160 PolarHBondContact O-N 3.3Å; K158-M160 PolarHBondContact O-N 3.05Å; M160-R194 PolarHBondContact O-NH1 3Å; M160-V714 HydrophobicContact CE-CG1 4.46Å; M160-V714 HydrophobicContact SD-CG2 4.32Å; M160-V736 HydrophobicContact CE-CG2 3.31Å; M160-V736 HydrophobicContact SD-CG2 3.87Å
161	I	69.6	Low	75.3	Confident	24 Å²	24	57.6 Å²	57.6	12%	0.123	30%	0.304	C	S	.	.	S	Bend	trans	-68.3	124.5	-178.6	-45.9	-169.9	0	0	0	109.6	L76 K158 F241	L76-I161 HydrophobicContact CG-CD1 4.42Å; K158-I161 WeakPolarHBondContact O-CG1 3.46Å; K158-I161 PolarHBondContact O-N 2.79Å; I161-F241 HydrophobicContact CB-CZ 4.31Å; I161-F241 HydrophobicContact CD1-CZ 4.33Å; I161-F241 HydrophobicContact CG1-CZ 3.85Å; I161-F241 HydrophobicContact CG2-CE2 4.24Å; I161-F241 HydrophobicContact CG2-CZ 4.11Å
162	P	67.1	Low	76.9	Confident	18 Å²	18	58.1 Å²	58.1	12%	0.117	30%	0.304	C	S	.	.			trans	-60	145.4	172.2	20.7	-27.4	0	0	0	110.8	A178 R194 P196	P162-A178 HydrophobicContact CG-CB 4.28Å; P162-A178 WeakPolarHBondContact O-CB 3.45Å; P162-R194 HydrophobicContact CB-CB 4.04Å; P162-R194 HydrophobicContact CG-CB 4.15Å; P162-P196 HydrophobicContact CG-CB 3.7Å
163	Q	73.9	Confident	78.2	Confident	175 Å²	175	56.6 Å²	56.6	82%	0.818	30%	0.302	S	S	*	.	S	Bend	trans	-76.9	-36.4	-178.6	-66.5	-175.3	-8.2	0	0	111.8	P177 A178	Q163-P177 WeakPolarHBondContact O-CA 3.1Å; Q163-A178 PolarHBondContact O-N 3.18Å
164	T	88.5	Confident	79.7	Confident	71 Å²	71	59.4 Å²	59.4	44%	0.436	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	158.4	-178.4	61.5	0	0	0	0	111.9	E175 A176	T164-E175 WeakPolarHBondContact CB-OE1 3.3Å; T164-E175 HydrophobicContact CG2-CG 4.38Å; T164-E175 PolarHBondContact OG1-OE1 3.15Å; T164-A176 CarbonylContact C-O 3.46Å; T164-A176 WeakPolarHBondContact CA-O 3.47Å
165	A	90.3	Very high	81.3	Confident	10 Å²	10	64.8 Å²	64.8	8%	0.083	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	146.4	177.2	0	0	0	0	0	110.5	V167 A176 L181 P196	A165-V167 PolarHBondContact O-N 3.07Å; A165-A176 PolarHBondContact N-O 2.68Å; A165-A176 PolarHBondContact O-N 2.85Å; A165-L181 HydrophobicContact CB-CD1 3.77Å; A165-L181 HydrophobicContact CB-CD2 4.27Å; A165-L181 HydrophobicContact CB-CG 4.3Å; A165-P196 HydrophobicContact CB-CB 3.88Å; A165-P196 HydrophobicContact CB-CG 3.76Å
166	L	92.6	Very high	82.4	Confident	65 Å²	65	61 Å²	61	34%	0.34	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	102.9	176.3	-168.9	68.7	0	0	0	110	K173 I187 D188	L166-K173 HydrophobicContact CD1-CB 4.22Å; L166-K173 HydrophobicContact CD2-CD 4.27Å; L166-I187 WeakPolarHBondContact O-CA 3.42Å; L166-D188 HydrophobicContact CD2-CB 3.98Å; L166-D188 HydrophobicContact CG-CB 4.48Å; L166-D188 PolarHBondContact O-N 3.33Å
167	V	94.1	Very high	83.5	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	145	-177.8	68	0	0	0	0	111.1	A165 R169 K173 I174 A176 L181 D185 L186 I187	A165-V167 PolarHBondContact O-N 3.07Å; V167-R169 HydrophobicContact CG1-CG 4.42Å; V167-R169 HydrophobicContact CG2-CG 4.01Å; V167-K173 CarbonylContact O-C 3.56Å; V167-K173 WeakPolarHBondContact O-CA 3.01Å; V167-I174 HydrophobicContact CG1-CB 4.38Å; V167-I174 WeakPolarHBondContact CG1-O 3.43Å; V167-I174 PolarHBondContact N-O 3.17Å; V167-I174 PolarHBondContact O-N 2.75Å; V167-A176 HydrophobicContact CG1-CB 3.8Å; V167-L181 HydrophobicContact CB-CD2 3.97Å; V167-L181 HydrophobicContact CG2-CD2 4.05Å; V167-D185 HydrophobicContact CG2-CB 3.83Å; V167-L186 CarbonylContact C-O 3.58Å; V167-L186 WeakPolarHBondContact CA-O 3.01Å; V167-L186 WeakPolarHBondContact CG2-O 3.37Å; V167-I187 HydrophobicContact CB-CG2 4.26Å; V167-I187 HydrophobicContact CG2-CG2 4.11Å
168	I	93.6	Very high	84.7	Confident	6 Å²	6	64.3 Å²	64.3	3%	0.031	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	113.4	174.3	-48.5	-173.6	0	0	0	107.9	V172 K173 L186	I168-V172 WeakPolarHBondContact CA-O 3.41Å; I168-K173 HydrophobicContact CD1-CG 4.45Å; I168-K173 HydrophobicContact CG1-CG 4.19Å; I168-L186 HydrophobicContact CB-CB 4.21Å; I168-L186 HydrophobicContact CB-CD2 4.05Å; I168-L186 HydrophobicContact CB-CG 4.19Å; I168-L186 HydrophobicContact CD1-CD2 3.97Å; I168-L186 HydrophobicContact CD1-CG 4.17Å; I168-L186 HydrophobicContact CG1-CD2 4.42Å; I168-L186 HydrophobicContact CG1-CG 4.38Å; I168-L186 HydrophobicContact CG2-CD2 4.32Å; I168-L186 PolarHBondContact N-O 3.43Å
169	R	92.6	Very high	85.8	Confident	40 Å²	40	62.4 Å²	62.4	15%	0.151	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.1	176.3	-67.9	-179.3	179	164.4	0.3	110	S57 L59 A64 V167 G171 V172 I174 A180 D185	S57-R169 CarbonylContact O-C 3.57Å; L59-R169 CarbonylContact O-C 3.4Å; L59-R169 WeakPolarHBondContact O-CA 3.36Å; L59-R169 VanDerWaalsContact O-CB 3.31Å; L59-R169 WeakPolarHBondContact O-CB 3.32Å; A64-R169 VanDerWaalsContact CB-CZ 3.41Å; V167-R169 HydrophobicContact CG1-CG 4.42Å; V167-R169 HydrophobicContact CG2-CG 4.01Å; R169-G171 PolarHBondContact O-N 2.88Å; R169-V172 PolarHBondContact N-O 2.67Å; R169-V172 PolarHBondContact O-N 3.09Å; R169-V172 VanDerWaalsContact O-N 3.13Å; R169-I174 HydrophobicContact CB-CD1 4.45Å; R169-A180 PolarHBondContact NH2-O 3.38Å; R169-D185 IonicContact CZ-OD1 3.83Å; R169-D185 IonicContact CZ-OD2 3.98Å; R169-D185 IonicContact NE-OD1 3.8Å; R169-D185 PolarHBondContact NE-OD1 3.43Å; R169-D185 IonicContact NE-OD2 2.66Å; R169-D185 IonicContact NH2-OD1 2.7Å; R169-D185 PolarHBondContact NH2-OD1 3.05Å; R169-D185 IonicContact NH2-OD2 2.87Å; R169-D185 PolarHBondContact NH2-OD2 3.24Å
170	G	88.9	Confident	86.9	Confident	52 Å²	52	56.4 Å²	56.4	54%	0.536	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	28.2	-174.8	0	0	0	0	0	114.2	S57 L59 V172	S57-G170 PolarHBondContact O-N 3.4Å; L59-G170 PolarHBondContact O-N 3.15Å; G170-V172 VanDerWaalsContact C-N 3.31Å; G170-V172 PolarHBondContact O-N 3.36Å
171	G	87.5	Confident	88.2	Confident	48 Å²	48	54.7 Å²	54.7	50%	0.495	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	1.2	-178	0	0	0	0	0	115.5	S57 R169	S57-G171 PolarHBondContact O-N 3.04Å; R169-G171 PolarHBondContact O-N 2.88Å
172	V	90.4	Very high	89.4	Confident	89 Å²	89	53.6 Å²	53.6	54%	0.539	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.2	179.5	-175.2	0	0	0	0	109.7	I168 R169 G170 I174	I168-V172 WeakPolarHBondContact CA-O 3.41Å; R169-V172 PolarHBondContact N-O 2.67Å; R169-V172 PolarHBondContact O-N 3.09Å; R169-V172 VanDerWaalsContact O-N 3.13Å; G170-V172 VanDerWaalsContact C-N 3.31Å; G170-V172 PolarHBondContact O-N 3.36Å; V172-I174 HydrophobicContact CB-CG1 4.42Å; V172-I174 HydrophobicContact CG1-CG1 4.13Å
173	K	91.1	Very high	90.7	Very high	117 Å²	117	53.5 Å²	53.5	51%	0.509	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	120.9	170.8	-56	-163.1	-176	-169.3	0	109.3	L166 V167 I168 D188	L166-K173 HydrophobicContact CD1-CB 4.22Å; L166-K173 HydrophobicContact CD2-CD 4.27Å; V167-K173 CarbonylContact O-C 3.56Å; V167-K173 WeakPolarHBondContact O-CA 3.01Å; I168-K173 HydrophobicContact CD1-CG 4.45Å; I168-K173 HydrophobicContact CG1-CG 4.19Å; K173-D188 WeakPolarHBondContact CE-OD2 3.18Å; K173-D188 IonicContact NZ-OD2 2.83Å; K173-D188 PolarHBondContact NZ-OD2 2.96Å
174	I	91.1	Very high	91.6	Very high	78 Å²	78	45.2 Å²	45.2	40%	0.4	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.9	-177.2	-56.2	171.7	0	0	0	107.3	V167 R169 V172 A176	V167-I174 HydrophobicContact CG1-CB 4.38Å; V167-I174 WeakPolarHBondContact CG1-O 3.43Å; V167-I174 PolarHBondContact N-O 3.17Å; V167-I174 PolarHBondContact O-N 2.75Å; R169-I174 HydrophobicContact CB-CD1 4.45Å; V172-I174 HydrophobicContact CB-CG1 4.42Å; V172-I174 HydrophobicContact CG1-CG1 4.13Å; I174-A176 PolarHBondContact O-N 3.22Å
175	E	90.9	Very high	91.9	Very high	137 Å²	137	41.8 Å²	41.8	64%	0.64	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	113.8	167.7	-170.2	172.4	-174.1	0	0	108.4	T164	T164-E175 WeakPolarHBondContact CB-OE1 3.3Å; T164-E175 HydrophobicContact CG2-CG 4.38Å; T164-E175 PolarHBondContact OG1-OE1 3.15Å
176	A	90.2	Very high	92.1	Very high	9 Å²	9	41.3 Å²	41.3	7%	0.074	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	150.5	-177.9	0	0	0	0	0	110.5	T164 A165 V167 I174 A178	T164-A176 CarbonylContact C-O 3.46Å; T164-A176 WeakPolarHBondContact CA-O 3.47Å; A165-A176 PolarHBondContact N-O 2.68Å; A165-A176 PolarHBondContact O-N 2.85Å; V167-A176 HydrophobicContact CG1-CB 3.8Å; I174-A176 PolarHBondContact O-N 3.22Å; A176-A178 PolarHBondContact O-N 2.92Å
177	P	91.3	Very high	92.2	Very high	78 Å²	78	38.3 Å²	38.3	51%	0.506	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	138.1	168.2	-22	32.8	0	0	0	110.2	Q163 E179 A180	Q163-P177 WeakPolarHBondContact O-CA 3.1Å; P177-E179 PolarHBondContact O-N 3.11Å; P177-E179 VanDerWaalsContact O-N 3.12Å; P177-A180 WeakPolarHBondContact O-CB 3.42Å; P177-A180 PolarHBondContact O-N 3.49Å
178	A	90.4	Very high	92.1	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.008	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-58.6	-30.4	-177.6	0	0	0	0	0	112.6	N74 P162 Q163 A176 A180 L181 P196	N74-A178 WeakPolarHBondContact CB-O 3.47Å; N74-A178 PolarHBondContact ND2-O 2.89Å; P162-A178 HydrophobicContact CG-CB 4.28Å; P162-A178 WeakPolarHBondContact O-CB 3.45Å; Q163-A178 PolarHBondContact O-N 3.18Å; A176-A178 PolarHBondContact O-N 2.92Å; A178-A180 PolarHBondContact O-N 2.79Å; A178-L181 WeakPolarHBondContact O-CB 3.47Å; A178-L181 WeakPolarHBondContact O-CG 3.36Å; A178-L181 PolarHBondContact O-N 3.3Å; A178-P196 HydrophobicContact CB-CB 4.24Å
179	E	91.4	Very high	92.1	Very high	103 Å²	103	39.3 Å²	39.3	48%	0.481	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-61.9	-23.6	175.8	-60.9	-176	174.9	0	0	113.5	P73 N74 A75 P177	P73-E179 WeakPolarHBondContact CA-O 3.42Å; P73-E179 HydrophobicContact CB-CB 4.41Å; N74-E179 PolarHBondContact N-O 2.83Å; A75-E179 HydrophobicContact CB-CG 4.43Å; P177-E179 PolarHBondContact O-N 3.11Å; P177-E179 VanDerWaalsContact O-N 3.12Å
180	A	92.9	Very high	92	Very high	26 Å²	26	43.3 Å²	43.3	22%	0.215	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-89.1	-0.6	-178.9	0	0	0	0	0	113.6	R169 P177 A178	R169-A180 PolarHBondContact NH2-O 3.38Å; P177-A180 WeakPolarHBondContact O-CB 3.42Å; P177-A180 PolarHBondContact O-N 3.49Å; A178-A180 PolarHBondContact O-N 2.79Å
181	L	93.4	Very high	91.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.245	C	C	.	.			trans	-72.1	142.7	174.7	-65.5	178.9	0	0	0	111.1	N74 A165 V167 A178 D185 I187 P196	N74-L181 HydrophobicContact CB-CB 4.3Å; N74-L181 WeakPolarHBondContact CB-O 3.47Å; A165-L181 HydrophobicContact CB-CD1 3.77Å; A165-L181 HydrophobicContact CB-CD2 4.27Å; A165-L181 HydrophobicContact CB-CG 4.3Å; V167-L181 HydrophobicContact CB-CD2 3.97Å; V167-L181 HydrophobicContact CG2-CD2 4.05Å; A178-L181 WeakPolarHBondContact O-CB 3.47Å; A178-L181 WeakPolarHBondContact O-CG 3.36Å; A178-L181 PolarHBondContact O-N 3.3Å; L181-D185 WeakPolarHBondContact CA-OD2 3.48Å; L181-I187 HydrophobicContact CD2-CG2 4.02Å; L181-P196 HydrophobicContact CD1-CB 3.59Å; L181-P196 HydrophobicContact CD1-CG 3.54Å
182	V	95.3	Very high	91.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	25%	0.253	C	S	.	.			trans	-129.8	159.8	179.2	-61.9	0	0	0	0	111.4	L59 A64 R67 L68 G184 D185 V254	L59-V182 HydrophobicContact CD1-CG2 3.92Å; A64-V182 HydrophobicContact CB-CG2 4.14Å; R67-V182 HydrophobicContact CB-CB 3.86Å; R67-V182 HydrophobicContact CB-CG1 4.05Å; R67-V182 HydrophobicContact CB-CG2 3.99Å; L68-V182 HydrophobicContact CB-CG1 3.74Å; L68-V182 HydrophobicContact CD1-CG1 4.03Å; V182-G184 PolarHBondContact O-N 3.16Å; V182-D185 WeakPolarHBondContact CG2-OD2 3.37Å; V182-D185 PolarHBondContact N-OD2 3.36Å; V182-D185 WeakPolarHBondContact O-CB 3.45Å; V182-D185 PolarHBondContact O-N 3.26Å; V182-D185 VanDerWaalsContact O-N 3.09Å; V182-V254 WeakPolarHBondContact O-CB 3.32Å
183	V	94.3	Very high	91.7	Very high	17 Å²	17	43 Å²	43	10%	0.103	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	129.1	174.3	176.9	0	0	0	0	109.8	L51 R67 V255 T257	L51-V183 HydrophobicContact CD2-CG1 3.81Å; R67-V183 VanDerWaalsContact CD-O 3.32Å; R67-V183 WeakPolarHBondContact CD-O 3.39Å; R67-V183 PolarHBondContact NH1-O 3.08Å; V183-V255 WeakPolarHBondContact CG1-O 3.27Å; V183-T257 HydrophobicContact CG2-CG2 4.09Å
184	G	93.1	Very high	91.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.8	-7.1	-176.3	0	0	0	0	0	115.5	T53 V182 V254	T53-G184 VanDerWaalsContact CB-O 3.3Å; T53-G184 WeakPolarHBondContact CB-O 3.43Å; T53-G184 PolarHBondContact OG1-O 2.96Å; V182-G184 PolarHBondContact O-N 3.16Å; G184-V254 PolarHBondContact N-O 3Å
185	D	94.3	Very high	91.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.216	C	C	.	.			trans	-62.2	142.1	172.9	-87	-33.1	0	0	0	111.2	V167 R169 L181 V182 I253 V254	V167-D185 HydrophobicContact CG2-CB 3.83Å; R169-D185 IonicContact CZ-OD1 3.83Å; R169-D185 IonicContact CZ-OD2 3.98Å; R169-D185 IonicContact NE-OD1 3.8Å; R169-D185 PolarHBondContact NE-OD1 3.43Å; R169-D185 IonicContact NE-OD2 2.66Å; R169-D185 IonicContact NH2-OD1 2.7Å; R169-D185 PolarHBondContact NH2-OD1 3.05Å; R169-D185 IonicContact NH2-OD2 2.87Å; R169-D185 PolarHBondContact NH2-OD2 3.24Å; L181-D185 WeakPolarHBondContact CA-OD2 3.48Å; V182-D185 WeakPolarHBondContact CG2-OD2 3.37Å; V182-D185 PolarHBondContact N-OD2 3.36Å; V182-D185 WeakPolarHBondContact O-CB 3.45Å; V182-D185 PolarHBondContact O-N 3.26Å; V182-D185 VanDerWaalsContact O-N 3.09Å; D185-I253 CarbonylContact O-C 3.54Å; D185-I253 WeakPolarHBondContact O-CA 3.4Å; D185-V254 HydrophobicContact CB-CB 4.46Å; D185-V254 HydrophobicContact CB-CG2 4.04Å; D185-V254 PolarHBondContact O-N 2.96Å
186	L	94.9	Very high	91.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.3	174	-177.3	63.4	0	0	0	108.9	P55 V167 I168 I202 R251 I253	P55-L186 WeakPolarHBondContact O-CD2 3.49Å; V167-L186 CarbonylContact C-O 3.58Å; V167-L186 WeakPolarHBondContact CA-O 3.01Å; V167-L186 WeakPolarHBondContact CG2-O 3.37Å; I168-L186 HydrophobicContact CB-CB 4.21Å; I168-L186 HydrophobicContact CB-CD2 4.05Å; I168-L186 HydrophobicContact CB-CG 4.19Å; I168-L186 HydrophobicContact CD1-CD2 3.97Å; I168-L186 HydrophobicContact CD1-CG 4.17Å; I168-L186 HydrophobicContact CG1-CD2 4.42Å; I168-L186 HydrophobicContact CG1-CG 4.38Å; I168-L186 HydrophobicContact CG2-CD2 4.32Å; I168-L186 PolarHBondContact N-O 3.43Å; L186-I202 HydrophobicContact CD1-CD1 3.64Å; L186-R251 HydrophobicContact CD1-CG 3.61Å; L186-R251 HydrophobicContact CG-CG 4.17Å; L186-I253 HydrophobicContact CD1-CG1 3.89Å
187	I	94.3	Very high	91.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.3	-178.5	70.2	168.2	0	0	0	112.1	L166 V167 L181 V189 P196 I199 R251 G252 V254	L166-I187 WeakPolarHBondContact O-CA 3.42Å; V167-I187 HydrophobicContact CB-CG2 4.26Å; V167-I187 HydrophobicContact CG2-CG2 4.11Å; L181-I187 HydrophobicContact CD2-CG2 4.02Å; I187-V189 HydrophobicContact CD1-CG2 4.01Å; I187-V189 HydrophobicContact CG1-CG2 4.34Å; I187-P196 HydrophobicContact CD1-CG 3.53Å; I187-I199 HydrophobicContact CD1-CD1 4.21Å; I187-I199 HydrophobicContact CD1-CG2 3.43Å; I187-I199 VanDerWaalsContact CD1-CG2 3.43Å; I187-I199 HydrophobicContact CG1-CD1 4.4Å; I187-I199 HydrophobicContact CG1-CG2 3.86Å; I187-R251 WeakPolarHBondContact O-CA 3.43Å; I187-G252 PolarHBondContact N-O 3.17Å; I187-G252 PolarHBondContact O-N 3.01Å; I187-V254 HydrophobicContact CD1-CG2 4.45Å; I187-V254 HydrophobicContact CG2-CG2 4.04Å
188	D	93.2	Very high	91.9	Very high	24 Å²	24	28.5 Å²	28.5	13%	0.128	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.9	170.6	-81.3	-11.5	0	0	0	108.6	L166 K173 C250 R251	L166-D188 HydrophobicContact CD2-CB 3.98Å; L166-D188 HydrophobicContact CG-CB 4.48Å; L166-D188 PolarHBondContact O-N 3.33Å; K173-D188 WeakPolarHBondContact CE-OD2 3.18Å; K173-D188 IonicContact NZ-OD2 2.83Å; K173-D188 PolarHBondContact NZ-OD2 2.96Å; D188-C250 WeakPolarHBondContact CA-O 3.37Å; D188-R251 WeakPolarHBondContact OD1-CB 3.22Å; D188-R251 WeakPolarHBondContact OD1-CG 3.45Å; D188-R251 IonicContact OD1-CZ 2.87Å; D188-R251 IonicContact OD1-NE 3.78Å; D188-R251 PolarHBondContact OD1-NE 3.36Å; D188-R251 IonicContact OD1-NH2 2.88Å; D188-R251 PolarHBondContact OD1-NH2 3.28Å; D188-R251 IonicContact OD2-NH2 2.74Å
189	V	92.6	Very high	92.1	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.024	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130	177	-173.5	0	0	0	0	108.9	I187 D193 V195 I199 F207 A245 T249 C250	I187-V189 HydrophobicContact CD1-CG2 4.01Å; I187-V189 HydrophobicContact CG1-CG2 4.34Å; V189-D193 HydrophobicContact CG1-CB 4.03Å; V189-V195 HydrophobicContact CG1-CG2 4.27Å; V189-I199 HydrophobicContact CG2-CD1 4.03Å; V189-F207 HydrophobicContact CB-CE2 4.37Å; V189-F207 HydrophobicContact CB-CZ 4.19Å; V189-F207 HydrophobicContact CG1-CE2 4.11Å; V189-F207 HydrophobicContact CG1-CZ 3.91Å; V189-A245 HydrophobicContact CG1-CB 3.91Å; V189-T249 WeakPolarHBondContact O-CA 3.32Å; V189-C250 PolarHBondContact N-O 3.06Å; V189-C250 PolarHBondContact O-N 3.45Å
190	K	90.6	Very high	92.3	Very high	124 Å²	124	23.9 Å²	23.9	54%	0.539	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	162.1	176.8	54	170.9	-176.1	-173.9	0	111.1	G192 D193 A245 T249	K190-G192 PolarHBondContact O-N 3.34Å; K190-D193 WeakPolarHBondContact CE-OD1 3.12Å; K190-D193 VanDerWaalsContact CE-OD2 3.26Å; K190-D193 WeakPolarHBondContact CE-OD2 3.44Å; K190-D193 VanDerWaalsContact CG-CG 3.48Å; K190-D193 WeakPolarHBondContact CG-OD2 3.26Å; K190-D193 WeakPolarHBondContact O-CB 3.38Å; K190-D193 PolarHBondContact O-N 3.43Å; K190-A245 VanDerWaalsContact O-CB 3.27Å; K190-A245 WeakPolarHBondContact O-CB 3.48Å; K190-T249 HydrophobicContact CB-CG2 4.12Å
191	C	87.8	Confident	92.4	Very high	69 Å²	69	22.7 Å²	22.7	47%	0.466	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47	130.8	169	174	0	0	0	0	111.3	V246 G248	C191-V246 PolarHBondContact SG-O 2.82Å; C191-G248 PolarHBondContact N-O 2.87Å
192	G	84.3	Confident	92.5	Very high	64 Å²	64	23.6 Å²	23.6	66%	0.66	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.9	-18.5	-176.3	0	0	0	0	0	114.7	K190 A245	K190-G192 PolarHBondContact O-N 3.34Å; G192-A245 PolarHBondContact N-O 2.83Å
193	D	87.5	Confident	92.4	Very high	51 Å²	51	26.3 Å²	26.3	27%	0.273	15%	0.151	S	C	.	.	P	Polyproline II helix	trans	-81.4	150.2	179.1	-65.9	-7.9	0	0	0	111.5	V189 K190 A245	V189-D193 HydrophobicContact CG1-CB 4.03Å; K190-D193 WeakPolarHBondContact CE-OD1 3.12Å; K190-D193 VanDerWaalsContact CE-OD2 3.26Å; K190-D193 WeakPolarHBondContact CE-OD2 3.44Å; K190-D193 VanDerWaalsContact CG-CG 3.48Å; K190-D193 WeakPolarHBondContact CG-OD2 3.26Å; K190-D193 WeakPolarHBondContact O-CB 3.38Å; K190-D193 PolarHBondContact O-N 3.43Å; D193-A245 WeakPolarHBondContact O-CB 3.44Å; D193-A245 PolarHBondContact O-N 2.87Å
194	R	88.5	Confident	92.3	Very high	107 Å²	107	27.2 Å²	27.2	40%	0.404	16%	0.16	S	C	.	.	B	Isolated β-bridge	trans	-87.9	135.5	166	-84.3	177.5	-176.1	-176.2	6.7	109.9	M160 P162 P196 N244	M160-R194 PolarHBondContact O-NH1 3Å; P162-R194 HydrophobicContact CB-CB 4.04Å; P162-R194 HydrophobicContact CG-CB 4.15Å; R194-P196 WeakPolarHBondContact O-CD 3.43Å; R194-N244 WeakPolarHBondContact CG-OD1 3.27Å; R194-N244 PolarHBondContact NE-OD1 2.87Å; R194-N244 VanDerWaalsContact NE-OD1 3.16Å
195	V	92.2	Very high	92.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-67.9	117.5	177.2	177.8	0	0	0	0	108.9	V189 A197 I199 A239 F240 S242 T243	V189-V195 HydrophobicContact CG1-CG2 4.27Å; V195-A197 WeakPolarHBondContact CG1-O 3.34Å; V195-I199 HydrophobicContact CG1-CD1 4.21Å; V195-I199 HydrophobicContact CG1-CG1 4.17Å; V195-A239 HydrophobicContact CG1-CB 4.29Å; V195-A239 HydrophobicContact CG2-CB 4.26Å; V195-F240 VanDerWaalsContact CB-O 3.29Å; V195-F240 WeakPolarHBondContact CB-O 3.49Å; V195-F240 WeakPolarHBondContact CG1-O 3.17Å; V195-S242 PolarHBondContact O-N 2.92Å; V195-S242 VanDerWaalsContact O-N 3.11Å; V195-T243 WeakPolarHBondContact CG2-OG1 3.29Å; V195-T243 PolarHBondContact N-O 2.92Å
196	P	92.4	Very high	91.7	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.026	22%	0.217	C	C	.	.			trans	-84.8	-12.8	-165.2	34.8	-39.1	0	0	0	114.9	N74 P162 A165 A178 L181 I187 R194 F241	N74-P196 PolarHBondContact ND2-O 2.73Å; P162-P196 HydrophobicContact CG-CB 3.7Å; A165-P196 HydrophobicContact CB-CB 3.88Å; A165-P196 HydrophobicContact CB-CG 3.76Å; A178-P196 HydrophobicContact CB-CB 4.24Å; L181-P196 HydrophobicContact CD1-CB 3.59Å; L181-P196 HydrophobicContact CD1-CG 3.54Å; I187-P196 HydrophobicContact CD1-CG 3.53Å; R194-P196 WeakPolarHBondContact O-CD 3.43Å; P196-F241 VanDerWaalsContact O-CD2 3.23Å; P196-F241 WeakPolarHBondContact O-CD2 3.23Å; P196-F241 VanDerWaalsContact O-CE2 3.32Å; P196-F241 WeakPolarHBondContact O-CE2 3.43Å
197	A	93.3	Very high	91.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-159.3	170.3	177.1	0	0	0	0	0	108.5	V195 I199 V254	V195-A197 WeakPolarHBondContact CG1-O 3.34Å; A197-I199 PolarHBondContact O-N 2.91Å; A197-V254 HydrophobicContact CB-CG1 3.73Å; A197-V254 HydrophobicContact CB-CG2 4.26Å
198	D	94.3	Very high	91.2	Very high	2 Å²	2	39 Å²	39	1%	0.011	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	127.7	172.2	-67.5	-17.4	0	0	0	109.2	F240 F241 V255 S256 T261 V262	D198-F240 VanDerWaalsContact OD1-CA 3.28Å; D198-F240 WeakPolarHBondContact OD1-CA 3.4Å; D198-F241 PolarHBondContact OD1-N 2.88Å; D198-V255 HydrophobicContact CB-CG2 3.92Å; D198-V255 VanDerWaalsContact O-CG2 3.31Å; D198-V255 WeakPolarHBondContact O-CG2 3.46Å; D198-V255 PolarHBondContact O-N 3.22Å; D198-S256 PolarHBondContact N-O 2.93Å; D198-T261 HydrophobicContact CB-CG2 4.47Å; D198-T261 WeakPolarHBondContact OD2-CA 3.32Å; D198-T261 WeakPolarHBondContact OD2-CB 3.36Å; D198-V262 PolarHBondContact OD2-N 2.8Å
199	I	94.7	Very high	91.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	142	-175.2	63.8	174.1	0	0	0	113.3	I187 V189 V195 A197 L238 A239 I253 V254	I187-I199 HydrophobicContact CD1-CD1 4.21Å; I187-I199 HydrophobicContact CD1-CG2 3.43Å; I187-I199 VanDerWaalsContact CD1-CG2 3.43Å; I187-I199 HydrophobicContact CG1-CD1 4.4Å; I187-I199 HydrophobicContact CG1-CG2 3.86Å; V189-I199 HydrophobicContact CG2-CD1 4.03Å; V195-I199 HydrophobicContact CG1-CD1 4.21Å; V195-I199 HydrophobicContact CG1-CG1 4.17Å; A197-I199 PolarHBondContact O-N 2.91Å; I199-L238 WeakPolarHBondContact O-CA 3.42Å; I199-A239 HydrophobicContact CD1-CB 4.09Å; I199-A239 HydrophobicContact CG1-CB 3.75Å; I199-A239 PolarHBondContact N-O 3.09Å; I199-A239 PolarHBondContact O-N 3.05Å; I199-I253 CarbonylContact C-O 3.57Å; I199-I253 VanDerWaalsContact CA-O 3.25Å; I199-I253 WeakPolarHBondContact CA-O 3.48Å; I199-V254 HydrophobicContact CG2-CG2 4.12Å
200	R	95.5	Very high	90.8	Very high	8 Å²	8	39.1 Å²	39.1	3%	0.03	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	116.2	168.3	-179.9	68.7	-174.1	83.3	5.6	109.6	E39 L47 I202 S225 N237 L238 G252 I253 V255	E39-R200 WeakPolarHBondContact O-CD 3.47Å; E39-R200 PolarHBondContact O-NE 2.94Å; L47-R200 HydrophobicContact CD1-CG 4.37Å; L47-R200 HydrophobicContact CD2-CB 4.06Å; L47-R200 HydrophobicContact CD2-CG 3.49Å; L47-R200 VanDerWaalsContact CD2-CG 3.49Å; R200-I202 PolarHBondContact O-N 3.41Å; R200-S225 PolarHBondContact NH1-O 3.37Å; R200-S225 PolarHBondContact NH2-O 2.94Å; R200-N237 WeakPolarHBondContact CD-O 3.36Å; R200-N237 PolarHBondContact NE-ND2 3.37Å; R200-N237 PolarHBondContact NH1-ND2 3.23Å; R200-N237 PolarHBondContact NH1-O 2.71Å; R200-N237 PolarHBondContact NH2-ND2 2.89Å; R200-L238 HydrophobicContact CB-CD2 4.23Å; R200-G252 CarbonylContact O-C 3.5Å; R200-G252 WeakPolarHBondContact O-CA 3.48Å; R200-I253 PolarHBondContact N-O 3.44Å; R200-I253 PolarHBondContact O-N 2.8Å; R200-V255 HydrophobicContact CB-CG1 3.68Å
201	I	95.1	Very high	90.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	122.2	-173	-60.2	176	0	0	0	110.4	A204 F207 R223 S225 N237 A239 C250	I201-A204 HydrophobicContact CG2-CB 3.93Å; I201-F207 HydrophobicContact CD1-CD1 4.31Å; I201-R223 HydrophobicContact CD1-CB 3.55Å; I201-R223 HydrophobicContact CD1-CG 4.09Å; I201-S225 WeakPolarHBondContact O-CA 3.45Å; I201-N237 PolarHBondContact N-O 2.81Å; I201-A239 HydrophobicContact CD1-CB 4.19Å; I201-C250 HydrophobicContact CG2-CB 4.33Å
202	I	93.9	Very high	90.2	Very high	20 Å²	20	31.9 Å²	31.9	10%	0.103	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-30.9	178.6	65.8	169.3	0	0	0	111.9	L44 Y48 L186 R200 S225 R251 I253	L44-I202 HydrophobicContact CD2-CG2 4.05Å; Y48-I202 HydrophobicContact CE1-CG2 4.16Å; L186-I202 HydrophobicContact CD1-CD1 3.64Å; R200-I202 PolarHBondContact O-N 3.41Å; I202-S225 VanDerWaalsContact O-CB 3.27Å; I202-S225 WeakPolarHBondContact O-CB 3.31Å; I202-R251 HydrophobicContact CD1-CB 4.49Å; I202-R251 HydrophobicContact CD1-CG 3.82Å; I202-R251 HydrophobicContact CG1-CB 4.08Å; I202-R251 HydrophobicContact CG1-CG 3.91Å; I202-R251 WeakPolarHBondContact CG1-O 3.33Å; I202-R251 PolarHBondContact N-O 2.83Å; I202-I253 HydrophobicContact CG2-CD1 4Å; I202-I253 HydrophobicContact CG2-CG1 4.18Å
203	S	93	Very high	89.9	Confident	57 Å²	57	29.5 Å²	29.5	40%	0.399	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	138.6	175.1	63.8	0	0	0	0	110.1	C250 R251	S203-C250 WeakPolarHBondContact O-CA 3.36Å; S203-R251 PolarHBondContact N-O 2.97Å; S203-R251 PolarHBondContact O-N 2.5Å; S203-R251 WeakPolarHBondContact OG-CB 3.43Å
204	A	92.1	Very high	89.6	Confident	36 Å²	36	27.6 Å²	27.6	30%	0.298	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	142.7	178.2	0	0	0	0	0	110.5	I201 F207 R223 C250	I201-A204 HydrophobicContact CG2-CB 3.93Å; A204-F207 HydrophobicContact CB-CB 3.83Å; A204-R223 WeakPolarHBondContact CB-O 3.46Å; A204-C250 HydrophobicContact CB-CB 4.04Å
205	S	90.1	Very high	89	Confident	76 Å²	76	24.3 Å²	24.3	53%	0.531	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	103.4	174.3	-179.5	0	0	0	0	108.8	F207 G248 T249	S205-F207 PolarHBondContact O-N 3.04Å; S205-G248 VanDerWaalsContact O-CA 3.26Å; S205-G248 WeakPolarHBondContact O-CA 3.42Å; S205-T249 PolarHBondContact N-O 2.96Å; S205-T249 PolarHBondContact O-N 2.96Å; S205-T249 VanDerWaalsContact O-N 3.14Å
206	S	85.2	Confident	88	Confident	95 Å²	95	24.7 Å²	24.7	66%	0.664	16%	0.158	S	C	*	.	E	Extended strand (participates in β ladder)	trans	50.7	28.6	-175.8	-57.8	0	0	0	0	114.2	K208	S206-K208 PolarHBondContact O-N 2.8Å
207	F	89.9	Confident	87.2	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.009	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127.4	-173.7	-168.5	-121.6	0	0	0	111.3	V189 I201 A204 S205 V209 R223 A239 A245 D247 C250	V189-F207 HydrophobicContact CB-CE2 4.37Å; V189-F207 HydrophobicContact CB-CZ 4.19Å; V189-F207 HydrophobicContact CG1-CE2 4.11Å; V189-F207 HydrophobicContact CG1-CZ 3.91Å; I201-F207 HydrophobicContact CD1-CD1 4.31Å; A204-F207 HydrophobicContact CB-CB 3.83Å; S205-F207 PolarHBondContact O-N 3.04Å; F207-V209 HydrophobicContact CD1-CG1 4.08Å; F207-V209 HydrophobicContact CE1-CG1 3.29Å; F207-V209 HydrophobicContact CE2-CG1 4.5Å; F207-V209 HydrophobicContact CZ-CG1 3.55Å; F207-R223 HydrophobicContact CB-CB 4.44Å; F207-R223 HydrophobicContact CD1-CB 3.65Å; F207-R223 HydrophobicContact CD1-CG 4.01Å; F207-R223 HydrophobicContact CE1-CB 4.44Å; F207-R223 HydrophobicContact CE1-CG 4.38Å; F207-R223 HydrophobicContact CG-CB 4.48Å; F207-R223 PolarHBondContact O-N 3.11Å; F207-A239 HydrophobicContact CE1-CB 4.45Å; F207-A245 HydrophobicContact CE2-CB 3.51Å; F207-A245 HydrophobicContact CZ-CB 3.79Å; F207-D247 WeakPolarHBondContact CA-O 3.45Å; F207-D247 WeakPolarHBondContact CD2-O 3.47Å; F207-C250 HydrophobicContact CB-CB 4.05Å; F207-C250 HydrophobicContact CD1-CB 3.5Å; F207-C250 VanDerWaalsContact CD1-CB 3.5Å; F207-C250 VanDerWaalsContact CD1-SG 3.53Å; F207-C250 HydrophobicContact CD2-CB 3.97Å; F207-C250 HydrophobicContact CE1-CB 3.9Å; F207-C250 WeakPolarHBondContact CE1-SG 3.35Å; F207-C250 HydrophobicContact CE2-CB 4.28Å; F207-C250 HydrophobicContact CG-CB 3.58Å; F207-C250 HydrophobicContact CZ-CB 4.28Å; F207-C250 WeakPolarHBondContact CZ-SG 3.3Å
208	K	89.5	Confident	86.1	Confident	77 Å²	77	28.9 Å²	28.9	34%	0.335	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.2	175	-63	-179.1	-179.6	175	0	110.1	S206 P220 Q221 V246 D247	S206-K208 PolarHBondContact O-N 2.8Å; K208-P220 HydrophobicContact CB-CB 4.02Å; K208-P220 HydrophobicContact CD-CB 4.21Å; K208-Q221 WeakPolarHBondContact CA-O 3.5Å; K208-V246 PolarHBondContact O-N 3Å; K208-D247 HydrophobicContact CB-CB 4.14Å; K208-D247 HydrophobicContact CD-CB 4.33Å; K208-D247 HydrophobicContact CG-CB 4.39Å; K208-D247 PolarHBondContact N-O 3.18Å; K208-D247 PolarHBondContact O-N 3.12Å
209	V	90.2	Very high	85.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145	178.6	-61.5	0	0	0	0	111.1	F207 N211 Q221 R223 A239 N244	F207-V209 HydrophobicContact CD1-CG1 4.08Å; F207-V209 HydrophobicContact CE1-CG1 3.29Å; F207-V209 HydrophobicContact CE2-CG1 4.5Å; F207-V209 HydrophobicContact CZ-CG1 3.55Å; V209-N211 WeakPolarHBondContact CG2-OD1 3.31Å; V209-Q221 PolarHBondContact N-O 2.92Å; V209-Q221 PolarHBondContact O-N 3.31Å; V209-R223 HydrophobicContact CB-CG 4.46Å; V209-R223 HydrophobicContact CG1-CG 4.09Å; V209-R223 HydrophobicContact CG2-CG 3.64Å; V209-A239 HydrophobicContact CG1-CB 4.4Å; V209-N244 CarbonylContact C-O 3.52Å; V209-N244 VanDerWaalsContact CA-O 3.28Å; V209-N244 WeakPolarHBondContact CA-O 3.17Å
210	D	87.3	Confident	84.7	Confident	29 Å²	29	35.5 Å²	35.5	16%	0.155	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	113.5	169.4	175.7	7	0	0	0	109.2	S212 T243 N244 V246	D210-S212 VanDerWaalsContact CG-OG 3.3Å; D210-S212 WeakPolarHBondContact OD1-CB 3.48Å; D210-S212 PolarHBondContact OD1-N 3.02Å; D210-S212 PolarHBondContact OD1-OG 2.9Å; D210-S212 PolarHBondContact OD2-OG 3.35Å; D210-T243 WeakPolarHBondContact O-CB 3.32Å; D210-N244 HydrophobicContact CB-CB 4.4Å; D210-N244 PolarHBondContact N-O 3.31Å; D210-V246 HydrophobicContact CB-CG2 3.62Å
211	N	86.3	Confident	84.3	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.021	23%	0.233	C	C	.	.			trans	-99.1	16.9	-179.8	-82.9	6.3	0	0	0	112.7	V209 A213 L214 T215 R223 T243	V209-N211 WeakPolarHBondContact CG2-OD1 3.31Å; N211-A213 PolarHBondContact O-N 2.87Å; N211-L214 PolarHBondContact O-N 3.43Å; N211-T215 HydrophobicContact CB-CG2 4.26Å; N211-T215 PolarHBondContact O-N 3.46Å; N211-T215 PolarHBondContact O-OG1 3.14Å; N211-R223 PolarHBondContact ND2-NH2 3.35Å; N211-T243 WeakPolarHBondContact OD1-CG2 3.46Å
212	S	79.4	Confident	84.1	Confident	38 Å²	38	41.2 Å²	41.2	27%	0.266	25%	0.252	S	S	.	.	H	α-helix	trans	-53.8	-36.3	-179.8	54.1	0	0	0	0	113.1	D210 L214 G216 E217	D210-S212 VanDerWaalsContact CG-OG 3.3Å; D210-S212 WeakPolarHBondContact OD1-CB 3.48Å; D210-S212 PolarHBondContact OD1-N 3.02Å; D210-S212 PolarHBondContact OD1-OG 2.9Å; D210-S212 PolarHBondContact OD2-OG 3.35Å; S212-L214 PolarHBondContact O-N 3.38Å; S212-G216 VanDerWaalsContact O-CA 3.24Å; S212-G216 WeakPolarHBondContact O-CA 3.32Å; S212-G216 PolarHBondContact O-N 3.17Å; S212-E217 WeakPolarHBondContact CA-O 3.08Å; S212-E217 WeakPolarHBondContact CB-O 3.38Å; S212-E217 PolarHBondContact N-O 3.15Å; S212-E217 VanDerWaalsContact N-O 3.1Å
213	A	78.4	Confident	84	Confident	13 Å²	13	40.8 Å²	40.8	11%	0.107	25%	0.249	C	C	.	.	H	α-helix	trans	-60.6	-28.4	176.4	0	0	0	0	0	114	N211 V714 N715	N211-A213 PolarHBondContact O-N 2.87Å; A213-V714 HydrophobicContact CB-CB 4.47Å; A213-V714 HydrophobicContact CB-CG2 4.47Å; A213-V714 WeakPolarHBondContact O-CB 3.28Å; A213-N715 PolarHBondContact O-N 2.93Å
214	L	80.4	Confident	84	Confident	11 Å²	11	40.5 Å²	40.5	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-103.2	-37.2	-177.2	-66.1	173.8	0	0	0	112.8	N211 S212 F240 T243 V262 M263 I266	N211-L214 PolarHBondContact O-N 3.43Å; S212-L214 PolarHBondContact O-N 3.38Å; L214-F240 HydrophobicContact CD1-CB 3.46Å; L214-F240 VanDerWaalsContact CD1-CB 3.46Å; L214-F240 HydrophobicContact CD1-CD1 4.36Å; L214-F240 HydrophobicContact CD1-CD2 3.55Å; L214-F240 HydrophobicContact CD1-CE2 4.41Å; L214-F240 HydrophobicContact CD1-CG 3.53Å; L214-T243 HydrophobicContact CD1-CG2 4.21Å; L214-V262 HydrophobicContact CD2-CG1 3.79Å; L214-M263 HydrophobicContact CD2-CB 4.48Å; L214-M263 HydrophobicContact CD2-SD 4.05Å; L214-I266 HydrophobicContact CD2-CD1 3.76Å
215	T	76.1	Confident	84	Confident	39 Å²	39	40.9 Å²	40.9	24%	0.239	25%	0.245	C	C	.	.	H	α-helix	trans	-107.1	-18.7	-170.4	60.7	0	0	0	0	113.3	N211 E217	N211-T215 HydrophobicContact CB-CG2 4.26Å; N211-T215 PolarHBondContact O-N 3.46Å; N211-T215 PolarHBondContact O-OG1 3.14Å; T215-E217 PolarHBondContact O-N 3.33Å; T215-E217 PolarHBondContact OG1-N 2.95Å
216	G	71.8	Confident	84	Confident	7 Å²	7	43.8 Å²	43.8	7%	0.072	25%	0.251	C	S	.	.	S	Bend	trans	81.6	-11.1	-167.4	0	0	0	0	0	113.7	S212	S212-G216 VanDerWaalsContact O-CA 3.24Å; S212-G216 WeakPolarHBondContact O-CA 3.32Å; S212-G216 PolarHBondContact O-N 3.17Å
217	E	74.4	Confident	84.3	Confident	37 Å²	37	44 Å²	44	17%	0.173	24%	0.237	C	C	.	.			trans	-95.4	126.2	-174.7	-64.3	-59.3	142.1	0	0	112	S212 T215 K373 T374	S212-E217 WeakPolarHBondContact CA-O 3.08Å; S212-E217 WeakPolarHBondContact CB-O 3.38Å; S212-E217 PolarHBondContact N-O 3.15Å; S212-E217 VanDerWaalsContact N-O 3.1Å; T215-E217 PolarHBondContact O-N 3.33Å; T215-E217 PolarHBondContact OG1-N 2.95Å; E217-K373 IonicContact OE1-NZ 2.77Å; E217-T374 PolarHBondContact OE1-OG1 2.75Å
218	S	70.9	Confident	84.3	Confident	56 Å²	56	46.9 Å²	46.9	39%	0.392	26%	0.255	S	S	.	.			trans	-85.4	-5	-179.5	58.2	0	0	0	0	113.8	P220 N380	S218-P220 WeakPolarHBondContact O-CD 3.21Å; S218-N380 PolarHBondContact OG-OD1 2.94Å
219	E	76.5	Confident	84.1	Confident	95 Å²	95	46.5 Å²	46.5	44%	0.444	26%	0.257	S	S	.	.	S	Bend	trans	-66.6	122	178.3	-172.8	175	-155.9	0	0	110.8	Q221 R546	E219-Q221 PolarHBondContact O-N 3.06Å; E219-Q221 PolarHBondContact O-NE2 2.78Å; E219-R546 IonicContact OE1-CZ 3.71Å; E219-R546 IonicContact OE1-NH1 2.94Å; E219-R546 PolarHBondContact OE1-NH1 3.14Å
220	P	83.3	Confident	83.9	Confident	45 Å²	45	52.5 Å²	52.5	29%	0.292	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-61.7	119.3	-179.2	-24.2	34.6	0	0	0	112.3	K208 S218 V246	K208-P220 HydrophobicContact CB-CB 4.02Å; K208-P220 HydrophobicContact CD-CB 4.21Å; S218-P220 WeakPolarHBondContact O-CD 3.21Å; P220-V246 HydrophobicContact CB-CB 4.25Å; P220-V246 HydrophobicContact CB-CG1 4.33Å; P220-V246 HydrophobicContact CB-CG2 4.29Å; P220-V246 HydrophobicContact CG-CB 4.35Å; P220-V246 HydrophobicContact CG-CG1 3.97Å; P220-V246 HydrophobicContact CG-CG2 4.29Å
221	Q	87	Confident	83.6	Confident	73 Å²	73	53.5 Å²	53.5	34%	0.341	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	124.2	-178.8	-61.5	-57.1	-48.4	0	0	110.8	K208 V209 E219 R223	K208-Q221 WeakPolarHBondContact CA-O 3.5Å; V209-Q221 PolarHBondContact N-O 2.92Å; V209-Q221 PolarHBondContact O-N 3.31Å; E219-Q221 PolarHBondContact O-N 3.06Å; E219-Q221 PolarHBondContact O-NE2 2.78Å; Q221-R223 VanDerWaalsContact CB-NH2 3.33Å
222	S	90.2	Very high	83.6	Confident	56 Å²	56	53.7 Å²	53.7	39%	0.392	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	140.4	177.3	-63	0	0	0	0	112.2
223	R	92.3	Very high	83.8	Confident	11 Å²	11	54.1 Å²	54.1	4%	0.042	29%	0.291	C	S	.	.			trans	-125.7	136	-175.3	-62.4	-65.1	155.3	-177	-17	111.6	I201 A204 F207 V209 N211 Q221 T235 K236 L238	I201-R223 HydrophobicContact CD1-CB 3.55Å; I201-R223 HydrophobicContact CD1-CG 4.09Å; A204-R223 WeakPolarHBondContact CB-O 3.46Å; F207-R223 HydrophobicContact CB-CB 4.44Å; F207-R223 HydrophobicContact CD1-CB 3.65Å; F207-R223 HydrophobicContact CD1-CG 4.01Å; F207-R223 HydrophobicContact CE1-CB 4.44Å; F207-R223 HydrophobicContact CE1-CG 4.38Å; F207-R223 HydrophobicContact CG-CB 4.48Å; F207-R223 PolarHBondContact O-N 3.11Å; V209-R223 HydrophobicContact CB-CG 4.46Å; V209-R223 HydrophobicContact CG1-CG 4.09Å; V209-R223 HydrophobicContact CG2-CG 3.64Å; N211-R223 PolarHBondContact ND2-NH2 3.35Å; Q221-R223 VanDerWaalsContact CB-NH2 3.33Å; R223-T235 PolarHBondContact NH1-O 3.13Å; R223-K236 CarbonylContact C-O 3.59Å; R223-K236 VanDerWaalsContact CA-O 3.23Å; R223-K236 WeakPolarHBondContact CA-O 3.37Å; R223-K236 VanDerWaalsContact CD-O 3.29Å; R223-K236 WeakPolarHBondContact CD-O 3.09Å; R223-L238 WeakPolarHBondContact CD-O 3.43Å; R223-L238 PolarHBondContact NH1-O 3.22Å
224	T	92.2	Very high	84	Confident	50 Å²	50	56.8 Å²	56.8	31%	0.307	30%	0.301	S	S	.	.			trans	-137.1	170.8	-175.4	57.8	0	0	0	0	110.1	E226 K236 N237	T224-E226 VanDerWaalsContact C-N 3.32Å; T224-K236 PolarHBondContact N-O 3.3Å; T224-K236 WeakPolarHBondContact OG1-CB 3.02Å; T224-N237 WeakPolarHBondContact O-CA 3.15Å; T224-N237 WeakPolarHBondContact O-CB 3.3Å
225	S	91.9	Very high	84.5	Confident	45 Å²	45	56.2 Å²	56.2	32%	0.315	30%	0.298	S	S	.	.	S	Bend	trans	-79.7	-16.7	174.4	49.8	0	0	0	0	113.5	R200 I201 I202	R200-S225 PolarHBondContact NH1-O 3.37Å; R200-S225 PolarHBondContact NH2-O 2.94Å; I201-S225 WeakPolarHBondContact O-CA 3.45Å; I202-S225 VanDerWaalsContact O-CB 3.27Å; I202-S225 WeakPolarHBondContact O-CB 3.31Å
226	E	90.6	Very high	85.2	Confident	137 Å²	137	58.9 Å²	58.9	64%	0.64	31%	0.306	S	S	*	.	S	Bend	trans	-81.5	134.5	-174.4	-64.1	179.8	172.8	0	0	113.1	T224 T228 N237	T224-E226 VanDerWaalsContact C-N 3.32Å; E226-T228 PolarHBondContact O-N 2.98Å; E226-N237 VanDerWaalsContact O-CB 3.32Å; E226-N237 WeakPolarHBondContact O-CB 3.44Å
227	Y	91.3	Very high	86.3	Confident	99 Å²	99	58.5 Å²	58.5	39%	0.388	30%	0.303	S	S	.	.			trans	-63.8	129.2	170.3	166.3	-100.5	0	0	0	111.2	H40 R41 N229 E230 N237	H40-Y227 AromaticContact CD2-CD2 3.81Å; H40-Y227 AromaticContact CD2-CE2 3.69Å; H40-Y227 WeakPolarHBondContact O-CD2 3.33Å; R41-Y227 HydrophobicContact CG-CD2 4.42Å; R41-Y227 HydrophobicContact CG-CE2 3.89Å; Y227-N229 VanDerWaalsContact CE2-C 3.49Å; Y227-N229 WeakPolarHBondContact CE2-O 3.25Å; Y227-E230 VanDerWaalsContact OH-CA 3.27Å; Y227-E230 WeakPolarHBondContact OH-CA 3.33Å; Y227-E230 WeakPolarHBondContact OH-CG 3.2Å; Y227-E230 PolarHBondContact OH-N 3.24Å; Y227-N237 WeakPolarHBondContact CA-ND2 3.36Å; Y227-N237 PolarHBondContact N-ND2 2.76Å
228	T	89.5	Confident	87.3	Confident	62 Å²	62	56.9 Å²	56.9	38%	0.38	30%	0.295	S	S	.	.			trans	-126.6	-18.9	-177.3	61.6	0	0	0	0	115.4	E226 T235 K236	E226-T228 PolarHBondContact O-N 2.98Å; T228-T235 PolarHBondContact N-OG1 3.1Å; T228-T235 WeakPolarHBondContact OG1-CA 2.96Å; T228-K236 HydrophobicContact CG2-CB 4.06Å; T228-K236 HydrophobicContact CG2-CD 3.95Å; T228-K236 HydrophobicContact CG2-CG 4.01Å; T228-K236 PolarHBondContact OG1-N 3.34Å
229	N	86.9	Confident	88.3	Confident	69 Å²	69	54.2 Å²	54.2	37%	0.369	28%	0.276	S	S	.	.			trans	-151.7	144.6	-176.2	-162.7	-53.4	0	0	0	110.9	H40 Y227 N231 E234	H40-N229 PolarHBondContact CD2-O 3.4Å; Y227-N229 VanDerWaalsContact CE2-C 3.49Å; Y227-N229 WeakPolarHBondContact CE2-O 3.25Å; N229-N231 VanDerWaalsContact C-N 3.29Å; N229-N231 PolarHBondContact O-N 3.11Å; N229-N231 PolarHBondContact OD1-N 3.18Å; N229-E234 HydrophobicContact CB-CB 3.91Å
230	E	84.4	Confident	89.1	Confident	127 Å²	127	49.7 Å²	49.7	59%	0.593	26%	0.256	S	S	*	.	S	Bend	trans	-62.8	-34.6	175.7	-79.1	-162.8	172.3	0	0	113	H40 R41 Y227 P232	H40-E230 PolarHBondContact NE2-O 3.08Å; R41-E230 PolarHBondContact NH2-O 2.98Å; Y227-E230 VanDerWaalsContact OH-CA 3.27Å; Y227-E230 WeakPolarHBondContact OH-CA 3.33Å; Y227-E230 WeakPolarHBondContact OH-CG 3.2Å; Y227-E230 PolarHBondContact OH-N 3.24Å; E230-P232 WeakPolarHBondContact O-CD 3.32Å
231	N	81.5	Confident	89.4	Confident	50 Å²	50	47.7 Å²	47.7	27%	0.267	24%	0.242	S	C	.	.	S	Bend	trans	-75	121.7	177.3	-175.1	-17.5	0	0	0	110	N229 L233 E234 T235	N229-N231 VanDerWaalsContact C-N 3.29Å; N229-N231 PolarHBondContact O-N 3.11Å; N229-N231 PolarHBondContact OD1-N 3.18Å; N231-L233 PolarHBondContact O-N 2.9Å; N231-L233 PolarHBondContact OD1-N 2.93Å; N231-E234 HydrophobicContact CB-CB 4.23Å; N231-E234 HydrophobicContact CB-CG 4.08Å; N231-E234 PolarHBondContact O-N 3.07Å; N231-E234 VanDerWaalsContact O-N 3.1Å; N231-T235 PolarHBondContact O-N 3.22Å; N231-T235 VanDerWaalsContact O-N 3.14Å
232	P	85.7	Confident	89.3	Confident	8 Å²	8	44.7 Å²	44.7	5%	0.052	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-38.2	177.6	-24.3	31.1	0	0	0	113.6	L35 M37 E230 E234 T235 L238 F240	L35-P232 HydrophobicContact CD2-CB 4.27Å; L35-P232 HydrophobicContact CD2-CG 4.36Å; M37-P232 HydrophobicContact CB-CG 4.11Å; M37-P232 HydrophobicContact CE-CB 3.84Å; M37-P232 HydrophobicContact CE-CG 4.47Å; E230-P232 WeakPolarHBondContact O-CD 3.32Å; P232-E234 VanDerWaalsContact C-N 3.26Å; P232-E234 PolarHBondContact O-N 3.42Å; P232-T235 VanDerWaalsContact O-CG2 3.26Å; P232-T235 WeakPolarHBondContact O-CG2 3.33Å; P232-L238 HydrophobicContact CB-CD1 3.87Å; P232-F240 WeakPolarHBondContact O-CZ 3.43Å
233	L	83.3	Confident	89.3	Confident	47 Å²	47	42.1 Å²	42.1	25%	0.246	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.4	-176.7	-60.4	177.9	0	0	0	113.3	N231 F240 V262	N231-L233 PolarHBondContact O-N 2.9Å; N231-L233 PolarHBondContact OD1-N 2.93Å; L233-F240 HydrophobicContact CD2-CE1 4.25Å; L233-F240 HydrophobicContact CD2-CE2 4.44Å; L233-F240 HydrophobicContact CD2-CZ 4.03Å; L233-V262 HydrophobicContact CD2-CG1 3.93Å; L233-V262 HydrophobicContact CD2-CG2 4.45Å
234	E	83.7	Confident	89.1	Confident	68 Å²	68	44.2 Å²	44.2	32%	0.318	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-20.8	-174.6	-62.7	-73.8	-170.2	0	0	113	N229 N231 P232 R687	N229-E234 HydrophobicContact CB-CB 3.91Å; N231-E234 HydrophobicContact CB-CB 4.23Å; N231-E234 HydrophobicContact CB-CG 4.08Å; N231-E234 PolarHBondContact O-N 3.07Å; N231-E234 VanDerWaalsContact O-N 3.1Å; P232-E234 VanDerWaalsContact C-N 3.26Å; P232-E234 PolarHBondContact O-N 3.42Å; E234-R687 IonicContact OE1-CZ 3.32Å; E234-R687 IonicContact OE1-NE 3.46Å; E234-R687 PolarHBondContact OE1-NE 3.24Å; E234-R687 IonicContact OE1-NH2 2.76Å; E234-R687 PolarHBondContact OE1-NH2 3.38Å; E234-R687 IonicContact OE2-CZ 2.74Å; E234-R687 IonicContact OE2-NH2 3.09Å; E234-R687 PolarHBondContact OE2-NH2 2.83Å
235	T	90.1	Very high	88.9	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.			trans	-68.8	142.8	-179.8	-171.9	0	0	0	0	111.3	H40 R223 T228 N231 P232 N237 L238	H40-T235 HydrophobicContact CB-CG2 3.93Å; R223-T235 PolarHBondContact NH1-O 3.13Å; T228-T235 PolarHBondContact N-OG1 3.1Å; T228-T235 WeakPolarHBondContact OG1-CA 2.96Å; N231-T235 PolarHBondContact O-N 3.22Å; N231-T235 VanDerWaalsContact O-N 3.14Å; P232-T235 VanDerWaalsContact O-CG2 3.26Å; P232-T235 WeakPolarHBondContact O-CG2 3.33Å; T235-N237 WeakPolarHBondContact CB-OD1 3.47Å; T235-N237 WeakPolarHBondContact CG2-OD1 3.37Å; T235-N237 PolarHBondContact O-N 2.77Å; T235-N237 PolarHBondContact OG1-OD1 2.77Å; T235-L238 HydrophobicContact CG2-CB 4.37Å; T235-L238 HydrophobicContact CG2-CD1 3.83Å; T235-L238 HydrophobicContact CG2-CG 3.94Å
236	K	92.3	Very high	88.7	Confident	94 Å²	94	43 Å²	43	41%	0.409	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-8.9	-177.4	-66.2	-174.6	-171.8	170.8	0	113.9	R223 T224 T228	R223-K236 CarbonylContact C-O 3.59Å; R223-K236 VanDerWaalsContact CA-O 3.23Å; R223-K236 WeakPolarHBondContact CA-O 3.37Å; R223-K236 VanDerWaalsContact CD-O 3.29Å; R223-K236 WeakPolarHBondContact CD-O 3.09Å; T224-K236 PolarHBondContact N-O 3.3Å; T224-K236 WeakPolarHBondContact OG1-CB 3.02Å; T228-K236 HydrophobicContact CG2-CB 4.06Å; T228-K236 HydrophobicContact CG2-CD 3.95Å; T228-K236 HydrophobicContact CG2-CG 4.01Å; T228-K236 PolarHBondContact OG1-N 3.34Å
237	N	94.5	Very high	88.5	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	10	-166.6	77.4	-22.6	0	0	0	115	H40 R200 I201 T224 E226 Y227 T235	H40-N237 WeakPolarHBondContact CB-OD1 3.39Å; H40-N237 PolarHBondContact O-ND2 2.96Å; R200-N237 WeakPolarHBondContact CD-O 3.36Å; R200-N237 PolarHBondContact NE-ND2 3.37Å; R200-N237 PolarHBondContact NH1-ND2 3.23Å; R200-N237 PolarHBondContact NH1-O 2.71Å; R200-N237 PolarHBondContact NH2-ND2 2.89Å; I201-N237 PolarHBondContact N-O 2.81Å; T224-N237 WeakPolarHBondContact O-CA 3.15Å; T224-N237 WeakPolarHBondContact O-CB 3.3Å; E226-N237 VanDerWaalsContact O-CB 3.32Å; E226-N237 WeakPolarHBondContact O-CB 3.44Å; Y227-N237 WeakPolarHBondContact CA-ND2 3.36Å; Y227-N237 PolarHBondContact N-ND2 2.76Å; T235-N237 WeakPolarHBondContact CB-OD1 3.47Å; T235-N237 WeakPolarHBondContact CG2-OD1 3.37Å; T235-N237 PolarHBondContact O-N 2.77Å; T235-N237 PolarHBondContact OG1-OD1 2.77Å
238	L	94.2	Very high	88.3	Confident	2 Å²	2	36 Å²	36	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.4	169.3	-65.1	175.8	0	0	0	110.2	M37 H40 I199 R200 R223 P232 T235 F240	M37-L238 HydrophobicContact CE-CD1 3.59Å; H40-L238 HydrophobicContact CB-CD1 3.87Å; H40-L238 HydrophobicContact CB-CD2 4.21Å; H40-L238 HydrophobicContact CB-CG 3.92Å; I199-L238 WeakPolarHBondContact O-CA 3.42Å; R200-L238 HydrophobicContact CB-CD2 4.23Å; R223-L238 WeakPolarHBondContact CD-O 3.43Å; R223-L238 PolarHBondContact NH1-O 3.22Å; P232-L238 HydrophobicContact CB-CD1 3.87Å; T235-L238 HydrophobicContact CG2-CB 4.37Å; T235-L238 HydrophobicContact CG2-CD1 3.83Å; T235-L238 HydrophobicContact CG2-CG 3.94Å; L238-F240 HydrophobicContact CB-CE1 4.23Å; L238-F240 HydrophobicContact CB-CE2 4.43Å; L238-F240 HydrophobicContact CB-CZ 3.91Å; L238-F240 HydrophobicContact CD1-CE1 4.23Å; L238-F240 HydrophobicContact CD1-CZ 4.17Å
239	A	93.4	Very high	88.4	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.2	161.5	0	0	0	0	0	109	V195 I199 I201 F207 V209	V195-A239 HydrophobicContact CG1-CB 4.29Å; V195-A239 HydrophobicContact CG2-CB 4.26Å; I199-A239 HydrophobicContact CD1-CB 4.09Å; I199-A239 HydrophobicContact CG1-CB 3.75Å; I199-A239 PolarHBondContact N-O 3.09Å; I199-A239 PolarHBondContact O-N 3.05Å; I201-A239 HydrophobicContact CD1-CB 4.19Å; F207-A239 HydrophobicContact CE1-CB 4.45Å; V209-A239 HydrophobicContact CG1-CB 4.4Å
240	F	92.3	Very high	88.7	Confident	1 Å²	1	33.7 Å²	33.7	0%	0.004	18%	0.179	C	C	.	.			trans	-111.8	154.2	-164.5	-58.9	-76.6	0	0	0	112.8	V195 D198 L214 P232 L233 L238 S242 T243 V262	V195-F240 VanDerWaalsContact CB-O 3.29Å; V195-F240 WeakPolarHBondContact CB-O 3.49Å; V195-F240 WeakPolarHBondContact CG1-O 3.17Å; D198-F240 VanDerWaalsContact OD1-CA 3.28Å; D198-F240 WeakPolarHBondContact OD1-CA 3.4Å; L214-F240 HydrophobicContact CD1-CB 3.46Å; L214-F240 VanDerWaalsContact CD1-CB 3.46Å; L214-F240 HydrophobicContact CD1-CD1 4.36Å; L214-F240 HydrophobicContact CD1-CD2 3.55Å; L214-F240 HydrophobicContact CD1-CE2 4.41Å; L214-F240 HydrophobicContact CD1-CG 3.53Å; P232-F240 WeakPolarHBondContact O-CZ 3.43Å; L233-F240 HydrophobicContact CD2-CE1 4.25Å; L233-F240 HydrophobicContact CD2-CE2 4.44Å; L233-F240 HydrophobicContact CD2-CZ 4.03Å; L238-F240 HydrophobicContact CB-CE1 4.23Å; L238-F240 HydrophobicContact CB-CE2 4.43Å; L238-F240 HydrophobicContact CB-CZ 3.91Å; L238-F240 HydrophobicContact CD1-CE1 4.23Å; L238-F240 HydrophobicContact CD1-CZ 4.17Å; F240-S242 PolarHBondContact O-N 3.31Å; F240-T243 HydrophobicContact CB-CG2 3.91Å; F240-T243 WeakPolarHBondContact O-CB 3.24Å; F240-T243 WeakPolarHBondContact O-CG2 3.09Å; F240-T243 PolarHBondContact O-N 2.89Å; F240-T243 VanDerWaalsContact O-N 3.17Å; F240-T243 PolarHBondContact O-OG1 3.46Å; F240-V262 HydrophobicContact CD1-CB 4.21Å; F240-V262 HydrophobicContact CD1-CG2 3.65Å; F240-V262 HydrophobicContact CE1-CG2 3.78Å
241	F	89.7	Confident	89.2	Confident	3 Å²	3	31.1 Å²	31.1	1%	0.013	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	136.2	175	-179.4	-131.5	0	0	0	111.4	L76 I161 P196 D198 T243 T261 M263	L76-F241 HydrophobicContact CD1-CE1 4.28Å; L76-F241 HydrophobicContact CD2-CE1 4.25Å; L76-F241 HydrophobicContact CG-CE1 4.26Å; I161-F241 HydrophobicContact CB-CZ 4.31Å; I161-F241 HydrophobicContact CD1-CZ 4.33Å; I161-F241 HydrophobicContact CG1-CZ 3.85Å; I161-F241 HydrophobicContact CG2-CE2 4.24Å; I161-F241 HydrophobicContact CG2-CZ 4.11Å; P196-F241 VanDerWaalsContact O-CD2 3.23Å; P196-F241 WeakPolarHBondContact O-CD2 3.23Å; P196-F241 VanDerWaalsContact O-CE2 3.32Å; P196-F241 WeakPolarHBondContact O-CE2 3.43Å; D198-F241 PolarHBondContact OD1-N 2.88Å; F241-T243 VanDerWaalsContact C-N 3.26Å; F241-T243 PolarHBondContact O-N 2.85Å; F241-T261 HydrophobicContact CB-CG2 3.94Å; F241-T261 HydrophobicContact CD1-CG2 4.41Å; F241-T261 WeakPolarHBondContact CD1-OG1 3.22Å; F241-T261 HydrophobicContact CG-CG2 4.28Å; F241-M263 HydrophobicContact CB-CB 4.37Å; F241-M263 HydrophobicContact CD1-CB 3.92Å; F241-M263 HydrophobicContact CD1-CG 4.33Å
242	S	85.7	Confident	89.8	Confident	10 Å²	10	28.8 Å²	28.8	7%	0.07	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	1.3	-177.1	80.1	0	0	0	0	117.5	V195 F240 M263	V195-S242 PolarHBondContact O-N 2.92Å; V195-S242 VanDerWaalsContact O-N 3.11Å; F240-S242 PolarHBondContact O-N 3.31Å; S242-M263 WeakPolarHBondContact OG-CG 3.48Å
243	T	89	Confident	90.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	15%	0.149	C	C	.	.			trans	-75.4	146.2	171.4	62.9	0	0	0	0	110.5	V195 D210 N211 L214 F240 F241	V195-T243 WeakPolarHBondContact CG2-OG1 3.29Å; V195-T243 PolarHBondContact N-O 2.92Å; D210-T243 WeakPolarHBondContact O-CB 3.32Å; N211-T243 WeakPolarHBondContact OD1-CG2 3.46Å; L214-T243 HydrophobicContact CD1-CG2 4.21Å; F240-T243 HydrophobicContact CB-CG2 3.91Å; F240-T243 WeakPolarHBondContact O-CB 3.24Å; F240-T243 WeakPolarHBondContact O-CG2 3.09Å; F240-T243 PolarHBondContact O-N 2.89Å; F240-T243 VanDerWaalsContact O-N 3.17Å; F240-T243 PolarHBondContact O-OG1 3.46Å; F241-T243 VanDerWaalsContact C-N 3.26Å; F241-T243 PolarHBondContact O-N 2.85Å
244	N	88.1	Confident	90.8	Very high	56 Å²	56	26.1 Å²	26.1	30%	0.299	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.8	179.7	-60	-53.4	0	0	0	110	R194 V209 D210 V246	R194-N244 WeakPolarHBondContact CG-OD1 3.27Å; R194-N244 PolarHBondContact NE-OD1 2.87Å; R194-N244 VanDerWaalsContact NE-OD1 3.16Å; V209-N244 CarbonylContact C-O 3.52Å; V209-N244 VanDerWaalsContact CA-O 3.28Å; V209-N244 WeakPolarHBondContact CA-O 3.17Å; D210-N244 HydrophobicContact CB-CB 4.4Å; D210-N244 PolarHBondContact N-O 3.31Å; N244-V246 PolarHBondContact O-N 2.88Å
245	A	89.8	Confident	91.3	Very high	3 Å²	3	23.4 Å²	23.4	3%	0.025	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	112.5	168.3	0	0	0	0	0	109.8	V189 K190 G192 D193 F207	V189-A245 HydrophobicContact CG1-CB 3.91Å; K190-A245 VanDerWaalsContact O-CB 3.27Å; K190-A245 WeakPolarHBondContact O-CB 3.48Å; G192-A245 PolarHBondContact N-O 2.83Å; D193-A245 WeakPolarHBondContact O-CB 3.44Å; D193-A245 PolarHBondContact O-N 2.87Å; F207-A245 HydrophobicContact CE2-CB 3.51Å; F207-A245 HydrophobicContact CZ-CB 3.79Å
246	V	86.6	Confident	91.5	Very high	65 Å²	65	24.2 Å²	24.2	39%	0.394	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-33.6	-176.5	-175.5	0	0	0	0	111.3	C191 K208 D210 P220 N244	C191-V246 PolarHBondContact SG-O 2.82Å; K208-V246 PolarHBondContact O-N 3Å; D210-V246 HydrophobicContact CB-CG2 3.62Å; P220-V246 HydrophobicContact CB-CB 4.25Å; P220-V246 HydrophobicContact CB-CG1 4.33Å; P220-V246 HydrophobicContact CB-CG2 4.29Å; P220-V246 HydrophobicContact CG-CB 4.35Å; P220-V246 HydrophobicContact CG-CG1 3.97Å; P220-V246 HydrophobicContact CG-CG2 4.29Å; N244-V246 PolarHBondContact O-N 2.88Å
247	D	86.2	Confident	91.5	Very high	77 Å²	77	20 Å²	20	41%	0.412	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	159.3	-176.8	-160.1	3.5	0	0	0	111.3	F207 K208	F207-D247 WeakPolarHBondContact CA-O 3.45Å; F207-D247 WeakPolarHBondContact CD2-O 3.47Å; K208-D247 HydrophobicContact CB-CB 4.14Å; K208-D247 HydrophobicContact CD-CB 4.33Å; K208-D247 HydrophobicContact CG-CB 4.39Å; K208-D247 PolarHBondContact N-O 3.18Å; K208-D247 PolarHBondContact O-N 3.12Å
248	G	86.5	Confident	91.3	Very high	13 Å²	13	20.1 Å²	20.1	13%	0.134	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.9	-164.4	175.6	0	0	0	0	0	115.1	C191 S205	C191-G248 PolarHBondContact N-O 2.87Å; S205-G248 VanDerWaalsContact O-CA 3.26Å; S205-G248 WeakPolarHBondContact O-CA 3.42Å
249	T	92.4	Very high	90.9	Very high	76 Å²	76	22.1 Å²	22.1	47%	0.466	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	147	176.7	59.6	0	0	0	0	110.3	V189 K190 S205	V189-T249 WeakPolarHBondContact O-CA 3.32Å; K190-T249 HydrophobicContact CB-CG2 4.12Å; S205-T249 PolarHBondContact N-O 2.96Å; S205-T249 PolarHBondContact O-N 2.96Å; S205-T249 VanDerWaalsContact O-N 3.14Å
250	C	93.5	Very high	90.7	Very high	7 Å²	7	27.4 Å²	27.4	5%	0.047	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	161.3	170.4	78.6	0	0	0	0	112.5	D188 V189 I201 S203 A204 F207	D188-C250 WeakPolarHBondContact CA-O 3.37Å; V189-C250 PolarHBondContact N-O 3.06Å; V189-C250 PolarHBondContact O-N 3.45Å; I201-C250 HydrophobicContact CG2-CB 4.33Å; S203-C250 WeakPolarHBondContact O-CA 3.36Å; A204-C250 HydrophobicContact CB-CB 4.04Å; F207-C250 HydrophobicContact CB-CB 4.05Å; F207-C250 HydrophobicContact CD1-CB 3.5Å; F207-C250 VanDerWaalsContact CD1-CB 3.5Å; F207-C250 VanDerWaalsContact CD1-SG 3.53Å; F207-C250 HydrophobicContact CD2-CB 3.97Å; F207-C250 HydrophobicContact CE1-CB 3.9Å; F207-C250 WeakPolarHBondContact CE1-SG 3.35Å; F207-C250 HydrophobicContact CE2-CB 4.28Å; F207-C250 HydrophobicContact CG-CB 3.58Å; F207-C250 HydrophobicContact CZ-CB 4.28Å; F207-C250 WeakPolarHBondContact CZ-SG 3.3Å
251	R	94.2	Very high	90.7	Very high	73 Å²	73	27.4 Å²	27.4	28%	0.275	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.4	166.3	-174.9	175.6	-69.4	164.8	3.4	108.1	L186 I187 D188 I202 S203	L186-R251 HydrophobicContact CD1-CG 3.61Å; L186-R251 HydrophobicContact CG-CG 4.17Å; I187-R251 WeakPolarHBondContact O-CA 3.43Å; D188-R251 WeakPolarHBondContact OD1-CB 3.22Å; D188-R251 WeakPolarHBondContact OD1-CG 3.45Å; D188-R251 IonicContact OD1-CZ 2.87Å; D188-R251 IonicContact OD1-NE 3.78Å; D188-R251 PolarHBondContact OD1-NE 3.36Å; D188-R251 IonicContact OD1-NH2 2.88Å; D188-R251 PolarHBondContact OD1-NH2 3.28Å; D188-R251 IonicContact OD2-NH2 2.74Å; I202-R251 HydrophobicContact CD1-CB 4.49Å; I202-R251 HydrophobicContact CD1-CG 3.82Å; I202-R251 HydrophobicContact CG1-CB 4.08Å; I202-R251 HydrophobicContact CG1-CG 3.91Å; I202-R251 WeakPolarHBondContact CG1-O 3.33Å; I202-R251 PolarHBondContact N-O 2.83Å; S203-R251 PolarHBondContact N-O 2.97Å; S203-R251 PolarHBondContact O-N 2.5Å; S203-R251 WeakPolarHBondContact OG-CB 3.43Å
252	G	94.3	Very high	90.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	159.7	-179.1	0	0	0	0	0	112.9	I187 R200	I187-G252 PolarHBondContact N-O 3.17Å; I187-G252 PolarHBondContact O-N 3.01Å; R200-G252 CarbonylContact O-C 3.5Å; R200-G252 WeakPolarHBondContact O-CA 3.48Å
253	I	95.4	Very high	90.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.8	176.6	-66.1	168.8	0	0	0	109.1	L47 Y48 L51 T53 D185 L186 I199 R200 I202 V255	L47-I253 HydrophobicContact CD2-CD1 4.16Å; Y48-I253 HydrophobicContact CD1-CD1 3.54Å; Y48-I253 HydrophobicContact CE1-CD1 3.37Å; L51-I253 HydrophobicContact CD1-CG2 3.59Å; T53-I253 HydrophobicContact CG2-CD1 3.74Å; T53-I253 HydrophobicContact CG2-CG1 4.43Å; T53-I253 HydrophobicContact CG2-CG2 4.13Å; D185-I253 CarbonylContact O-C 3.54Å; D185-I253 WeakPolarHBondContact O-CA 3.4Å; L186-I253 HydrophobicContact CD1-CG1 3.89Å; I199-I253 CarbonylContact C-O 3.57Å; I199-I253 VanDerWaalsContact CA-O 3.25Å; I199-I253 WeakPolarHBondContact CA-O 3.48Å; R200-I253 PolarHBondContact N-O 3.44Å; R200-I253 PolarHBondContact O-N 2.8Å; I202-I253 HydrophobicContact CG2-CD1 4Å; I202-I253 HydrophobicContact CG2-CG1 4.18Å; I253-V255 PolarHBondContact O-N 2.81Å
254	V	95.4	Very high	90.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	119.6	176.6	179.7	0	0	0	0	110.4	V182 G184 D185 I187 A197 I199 T257	V182-V254 WeakPolarHBondContact O-CB 3.32Å; G184-V254 PolarHBondContact N-O 3Å; D185-V254 HydrophobicContact CB-CB 4.46Å; D185-V254 HydrophobicContact CB-CG2 4.04Å; D185-V254 PolarHBondContact O-N 2.96Å; I187-V254 HydrophobicContact CD1-CG2 4.45Å; I187-V254 HydrophobicContact CG2-CG2 4.04Å; A197-V254 HydrophobicContact CB-CG1 3.73Å; A197-V254 HydrophobicContact CB-CG2 4.26Å; I199-V254 HydrophobicContact CG2-CG2 4.12Å; V254-T257 HydrophobicContact CG1-CG2 3.54Å
255	V	94.4	Very high	90.5	Very high	10 Å²	10	26.6 Å²	26.6	6%	0.061	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-37.8	177.5	-67.7	0	0	0	0	112.2	E39 V183 D198 R200 I253	E39-V255 HydrophobicContact CB-CG1 4.04Å; E39-V255 HydrophobicContact CG-CB 4.44Å; E39-V255 HydrophobicContact CG-CG1 4.15Å; V183-V255 WeakPolarHBondContact CG1-O 3.27Å; D198-V255 HydrophobicContact CB-CG2 3.92Å; D198-V255 VanDerWaalsContact O-CG2 3.31Å; D198-V255 WeakPolarHBondContact O-CG2 3.46Å; D198-V255 PolarHBondContact O-N 3.22Å; R200-V255 HydrophobicContact CB-CG1 3.68Å; I253-V255 PolarHBondContact O-N 2.81Å
256	S	93	Very high	90.3	Very high	18 Å²	18	26.5 Å²	26.5	13%	0.126	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	143.5	-179.6	-61.7	0	0	0	0	111.2	D198 T261	D198-S256 PolarHBondContact N-O 2.93Å; S256-T261 WeakPolarHBondContact O-CG2 3.26Å
257	T	93.2	Very high	90.2	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.031	12%	0.117	C	C	.	.			trans	-127.3	150.2	179.5	59.4	0	0	0	0	112	N74 V183 V254 D259 R260	N74-T257 HydrophobicContact CB-CG2 4.27Å; N74-T257 WeakPolarHBondContact OD1-CA 3.12Å; V183-T257 HydrophobicContact CG2-CG2 4.09Å; V254-T257 HydrophobicContact CG1-CG2 3.54Å; T257-D259 PolarHBondContact O-N 2.85Å; T257-R260 PolarHBondContact O-N 2.69Å; T257-R260 PolarHBondContact OG1-NH2 2.91Å
258	G	89.2	Confident	90	Very high	2 Å²	2	21.3 Å²	21.3	2%	0.021	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	56.7	-130.9	174.9	0	0	0	0	0	113.2	N74 A75 R260 T261	N74-G258 PolarHBondContact OD1-N 3.09Å; A75-G258 WeakPolarHBondContact O-CA 3.46Å; G258-R260 PolarHBondContact O-N 3.42Å; G258-R260 VanDerWaalsContact O-N 3.14Å; G258-T261 WeakPolarHBondContact O-CB 3.33Å; G258-T261 WeakPolarHBondContact O-CG2 3.44Å; G258-T261 PolarHBondContact O-N 2.83Å; G258-T261 VanDerWaalsContact O-N 3.12Å; G258-T261 PolarHBondContact O-OG1 3.25Å
259	D	87.4	Confident	90	Very high	45 Å²	45	20.7 Å²	20.7	24%	0.241	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-58.4	-22.7	-179.9	-68.8	-30.9	0	0	0	114.5	L76 T77 T257 T261 G264 R265 N268	L76-D259 WeakPolarHBondContact CA-OD1 3.37Å; T77-D259 WeakPolarHBondContact CB-OD2 3.33Å; T77-D259 PolarHBondContact N-OD1 2.87Å; T77-D259 PolarHBondContact OG1-OD2 3.06Å; T257-D259 PolarHBondContact O-N 2.85Å; D259-T261 VanDerWaalsContact C-N 3.33Å; D259-G264 CarbonylContact O-C 3.5Å; D259-R265 PolarHBondContact O-N 3.13Å; D259-N268 VanDerWaalsContact CB-ND2 3.26Å; D259-N268 WeakPolarHBondContact CB-ND2 3.41Å; D259-N268 PolarHBondContact OD1-ND2 3.44Å
260	R	89.4	Confident	89.5	Confident	111 Å²	111	17.1 Å²	17.1	42%	0.419	8%	0.078	S	C	.	.	G	3₁₀ helix	trans	-82.1	-12.3	-179.4	-63	176	-67.9	-177.7	4.4	113.2	D71 T257 G258	D71-R260 IonicContact OD1-NH1 2.88Å; D71-R260 IonicContact OD2-NH1 3.45Å; D71-R260 IonicContact OD2-NH2 2.8Å; D71-R260 PolarHBondContact OD2-NH2 2.93Å; T257-R260 PolarHBondContact O-N 2.69Å; T257-R260 PolarHBondContact OG1-NH2 2.91Å; G258-R260 PolarHBondContact O-N 3.42Å; G258-R260 VanDerWaalsContact O-N 3.14Å
261	T	90.3	Very high	88.9	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-65.7	158.2	173.7	61	0	0	0	0	110.7	D198 F241 S256 G258 D259 M263 G264 R265	D198-T261 HydrophobicContact CB-CG2 4.47Å; D198-T261 WeakPolarHBondContact OD2-CA 3.32Å; D198-T261 WeakPolarHBondContact OD2-CB 3.36Å; F241-T261 HydrophobicContact CB-CG2 3.94Å; F241-T261 HydrophobicContact CD1-CG2 4.41Å; F241-T261 WeakPolarHBondContact CD1-OG1 3.22Å; F241-T261 HydrophobicContact CG-CG2 4.28Å; S256-T261 WeakPolarHBondContact O-CG2 3.26Å; G258-T261 WeakPolarHBondContact O-CB 3.33Å; G258-T261 WeakPolarHBondContact O-CG2 3.44Å; G258-T261 PolarHBondContact O-N 2.83Å; G258-T261 VanDerWaalsContact O-N 3.12Å; G258-T261 PolarHBondContact O-OG1 3.25Å; D259-T261 VanDerWaalsContact C-N 3.33Å; T261-M263 PolarHBondContact O-N 2.66Å; T261-G264 PolarHBondContact O-N 3.47Å; T261-G264 VanDerWaalsContact O-N 3.1Å; T261-G264 WeakPolarHBondContact OG1-CA 3.43Å; T261-G264 PolarHBondContact OG1-N 3.31Å; T261-R265 WeakPolarHBondContact O-CG 3.37Å; T261-R265 PolarHBondContact O-N 3.38Å
262	V	88.6	Confident	88.1	Confident	8 Å²	8	16.2 Å²	16.2	5%	0.048	9%	0.087	C	C	.	.	H	α-helix	trans	-52.6	-47.6	174.9	177.5	0	0	0	0	110.4	L35 D198 L214 L233 F240 R265 I266	L35-V262 HydrophobicContact CD1-CG2 3.98Å; L35-V262 HydrophobicContact CD2-CG2 3.81Å; D198-V262 PolarHBondContact OD2-N 2.8Å; L214-V262 HydrophobicContact CD2-CG1 3.79Å; L233-V262 HydrophobicContact CD2-CG1 3.93Å; L233-V262 HydrophobicContact CD2-CG2 4.45Å; F240-V262 HydrophobicContact CD1-CB 4.21Å; F240-V262 HydrophobicContact CD1-CG2 3.65Å; F240-V262 HydrophobicContact CE1-CG2 3.78Å; V262-R265 PolarHBondContact O-N 3.43Å; V262-I266 HydrophobicContact CG1-CD1 4.23Å; V262-I266 WeakPolarHBondContact O-CG1 3.28Å; V262-I266 PolarHBondContact O-N 2.86Å; V262-I266 VanDerWaalsContact O-N 3.12Å
263	M	86.8	Confident	87.6	Confident	1 Å²	1	16.7 Å²	16.7	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-71.3	-34.1	-179.7	-169.5	63.2	-123.9	0	0	112.1	F157 L214 F241 S242 T261 I266 A267 V714	F157-M263 HydrophobicContact CD1-CE 3.85Å; F157-M263 HydrophobicContact CE1-CE 3.27Å; F157-M263 HydrophobicContact CZ-CE 4.26Å; L214-M263 HydrophobicContact CD2-CB 4.48Å; L214-M263 HydrophobicContact CD2-SD 4.05Å; F241-M263 HydrophobicContact CB-CB 4.37Å; F241-M263 HydrophobicContact CD1-CB 3.92Å; F241-M263 HydrophobicContact CD1-CG 4.33Å; S242-M263 WeakPolarHBondContact OG-CG 3.48Å; T261-M263 PolarHBondContact O-N 2.66Å; M263-I266 HydrophobicContact CE-CB 4Å; M263-I266 HydrophobicContact CE-CG2 3.89Å; M263-I266 PolarHBondContact O-N 2.71Å; M263-I266 HydrophobicContact SD-CD1 4.4Å; M263-A267 WeakPolarHBondContact O-CB 3.49Å; M263-A267 PolarHBondContact O-N 2.75Å; M263-V714 HydrophobicContact CE-CG1 3.24Å; M263-V714 HydrophobicContact SD-CG1 3.77Å
264	G	87.2	Confident	86.5	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-40	172.8	0	0	0	0	0	113.2	D259 T261 A267 N268	D259-G264 CarbonylContact O-C 3.5Å; T261-G264 PolarHBondContact O-N 3.47Å; T261-G264 VanDerWaalsContact O-N 3.1Å; T261-G264 WeakPolarHBondContact OG1-CA 3.43Å; T261-G264 PolarHBondContact OG1-N 3.31Å; G264-A267 PolarHBondContact O-N 2.96Å; G264-N268 WeakPolarHBondContact O-CB 3.17Å; G264-N268 PolarHBondContact O-N 2.71Å; G264-N268 PolarHBondContact O-ND2 2.91Å
265	R	87.2	Confident	85.3	Confident	44 Å²	44	29.2 Å²	29.2	17%	0.166	15%	0.151	C	C	.	.	H	α-helix	trans	-62.2	-43.3	172.2	-71.1	179.3	62.8	166	-4.3	111.8	L31 Q33 D259 T261 V262 N268 L269	L31-R265 HydrophobicContact CD2-CB 4.19Å; L31-R265 HydrophobicContact CD2-CG 4.04Å; Q33-R265 PolarHBondContact O-NH2 3.04Å; D259-R265 PolarHBondContact O-N 3.13Å; T261-R265 WeakPolarHBondContact O-CG 3.37Å; T261-R265 PolarHBondContact O-N 3.38Å; V262-R265 PolarHBondContact O-N 3.43Å; R265-N268 PolarHBondContact O-N 3.21Å; R265-L269 VanDerWaalsContact O-CB 3.31Å; R265-L269 WeakPolarHBondContact O-CB 3.48Å; R265-L269 PolarHBondContact O-N 2.75Å
266	I	84.9	Confident	84.3	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-63.3	-43.3	176.3	-66	165.4	0	0	0	110.8	L214 V262 M263 L269 A270 P690 P718	L214-I266 HydrophobicContact CD2-CD1 3.76Å; V262-I266 HydrophobicContact CG1-CD1 4.23Å; V262-I266 WeakPolarHBondContact O-CG1 3.28Å; V262-I266 PolarHBondContact O-N 2.86Å; V262-I266 VanDerWaalsContact O-N 3.12Å; M263-I266 HydrophobicContact CE-CB 4Å; M263-I266 HydrophobicContact CE-CG2 3.89Å; M263-I266 PolarHBondContact O-N 2.71Å; M263-I266 HydrophobicContact SD-CD1 4.4Å; I266-L269 PolarHBondContact O-N 2.85Å; I266-A270 WeakPolarHBondContact O-CB 3.46Å; I266-A270 PolarHBondContact O-N 3.1Å; I266-P690 HydrophobicContact CD1-CB 4.25Å; I266-P690 HydrophobicContact CD1-CG 3.9Å; I266-P690 HydrophobicContact CG1-CB 4.41Å; I266-P718 HydrophobicContact CG2-CG 4Å
267	A	83.8	Confident	83.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.9	-40.5	178.2	0	0	0	0	0	112.5	L76 F157 M263 G264 S271	L76-A267 HydrophobicContact CD1-CB 4.06Å; F157-A267 HydrophobicContact CD1-CB 3.77Å; F157-A267 HydrophobicContact CD2-CB 4.03Å; F157-A267 HydrophobicContact CE1-CB 3.83Å; F157-A267 HydrophobicContact CE2-CB 4.01Å; F157-A267 HydrophobicContact CG-CB 3.89Å; F157-A267 HydrophobicContact CZ-CB 3.89Å; M263-A267 WeakPolarHBondContact O-CB 3.49Å; M263-A267 PolarHBondContact O-N 2.75Å; G264-A267 PolarHBondContact O-N 2.96Å; A267-S271 VanDerWaalsContact O-CB 3.31Å; A267-S271 WeakPolarHBondContact O-CB 3.14Å; A267-S271 PolarHBondContact O-N 3.4Å; A267-S271 PolarHBondContact O-OG 3.39Å
268	N	83.6	Confident	83.4	Confident	33 Å²	33	36 Å²	36	18%	0.176	20%	0.195	C	C	.	.	H	α-helix	trans	-70.5	-35.1	175.5	-77.5	-28.2	0	0	0	112.5	L31 D259 G264 R265 S271 G272	L31-N268 HydrophobicContact CD1-CB 4.11Å; D259-N268 VanDerWaalsContact CB-ND2 3.26Å; D259-N268 WeakPolarHBondContact CB-ND2 3.41Å; D259-N268 PolarHBondContact OD1-ND2 3.44Å; G264-N268 WeakPolarHBondContact O-CB 3.17Å; G264-N268 PolarHBondContact O-N 2.71Å; G264-N268 PolarHBondContact O-ND2 2.91Å; R265-N268 PolarHBondContact O-N 3.21Å; N268-S271 PolarHBondContact O-OG 3.15Å; N268-G272 WeakPolarHBondContact O-CA 3.49Å; N268-G272 PolarHBondContact O-N 2.86Å
269	L	85.3	Confident	83.4	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-54.9	170.9	-177	62.8	0	0	0	110.2	L28 L31 K32 R265 I266 S271 G272 L273 Q691 L694 P718	L28-L269 HydrophobicContact CD2-CD1 4Å; L31-L269 HydrophobicContact CB-CD1 4.32Å; K32-L269 HydrophobicContact CG-CD1 3.81Å; R265-L269 VanDerWaalsContact O-CB 3.31Å; R265-L269 WeakPolarHBondContact O-CB 3.48Å; R265-L269 PolarHBondContact O-N 2.75Å; I266-L269 PolarHBondContact O-N 2.85Å; L269-S271 VanDerWaalsContact C-N 3.31Å; L269-S271 PolarHBondContact O-N 2.98Å; L269-G272 PolarHBondContact O-N 3.49Å; L269-L273 HydrophobicContact CD1-CG 4.47Å; L269-L273 HydrophobicContact CG-CD1 4.41Å; L269-L273 WeakPolarHBondContact O-CG 3.5Å; L269-L273 PolarHBondContact O-N 2.9Å; L269-Q691 HydrophobicContact CD2-CG 4.04Å; L269-L694 HydrophobicContact CD1-CD2 3.96Å; L269-L694 HydrophobicContact CD2-CD2 3.87Å; L269-L694 HydrophobicContact CG-CD2 4.09Å; L269-P718 HydrophobicContact CD2-CB 4.05Å; L269-P718 HydrophobicContact CD2-CG 4.25Å; L269-P718 HydrophobicContact CG-CB 4.26Å
270	A	83.1	Confident	83.5	Confident	1 Å²	1	34 Å²	34	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-37.9	-179.2	0	0	0	0	0	113	I266 P718 K721	I266-A270 WeakPolarHBondContact O-CB 3.46Å; I266-A270 PolarHBondContact O-N 3.1Å; A270-P718 HydrophobicContact CB-CG 4.44Å; A270-K721 WeakPolarHBondContact O-CG 3.44Å
271	S	80.4	Confident	83.4	Confident	28 Å²	28	30.4 Å²	30.4	20%	0.196	17%	0.174	C	C	.	.	H	α-helix	trans	-82.9	-26.6	178.9	63.5	0	0	0	0	114.2	A267 N268 L269	A267-S271 VanDerWaalsContact O-CB 3.31Å; A267-S271 WeakPolarHBondContact O-CB 3.14Å; A267-S271 PolarHBondContact O-N 3.4Å; A267-S271 PolarHBondContact O-OG 3.39Å; N268-S271 PolarHBondContact O-OG 3.15Å; L269-S271 VanDerWaalsContact C-N 3.31Å; L269-S271 PolarHBondContact O-N 2.98Å
272	G	77.5	Confident	83.3	Confident	32 Å²	32	34.8 Å²	34.8	33%	0.33	19%	0.193	S	C	.	.	H	α-helix	trans	-79.9	-24	178.7	0	0	0	0	0	113.7	L28 N268 L269 Q274	L28-G272 WeakPolarHBondContact CD1-O 3.2Å; N268-G272 WeakPolarHBondContact O-CA 3.49Å; N268-G272 PolarHBondContact O-N 2.86Å; L269-G272 PolarHBondContact O-N 3.49Å; G272-Q274 PolarHBondContact O-N 2.88Å
273	L	82.5	Confident	83.4	Confident	11 Å²	11	34.6 Å²	34.6	6%	0.058	19%	0.191	C	C	.	.	S	Bend	trans	-60.2	127.2	176.5	-74.1	165.2	0	0	0	110.6	L28 L269 L694 P718 K721 Q722	L28-L273 HydrophobicContact CD2-CD2 3.9Å; L269-L273 HydrophobicContact CD1-CG 4.47Å; L269-L273 HydrophobicContact CG-CD1 4.41Å; L269-L273 WeakPolarHBondContact O-CG 3.5Å; L269-L273 PolarHBondContact O-N 2.9Å; L273-L694 HydrophobicContact CD1-CD1 3.89Å; L273-L694 HydrophobicContact CD1-CD2 4.06Å; L273-L694 HydrophobicContact CD2-CD1 4.31Å; L273-L694 HydrophobicContact CD2-CD2 4.24Å; L273-P718 HydrophobicContact CD1-CB 4.21Å; L273-P718 WeakPolarHBondContact CD1-O 3.48Å; L273-K721 HydrophobicContact CB-CG 4.3Å; L273-Q722 HydrophobicContact CD1-CB 4.33Å
274	Q	72.3	Confident	83.4	Confident	170 Å²	170	35.8 Å²	35.8	79%	0.794	20%	0.197	S	C	*	.			trans	-76.7	129.8	178.3	-67.2	-171.6	-18.6	0	0	109.3	G272 G276	G272-Q274 PolarHBondContact O-N 2.88Å; Q274-G276 PolarHBondContact O-N 3.42Å; Q274-G276 VanDerWaalsContact O-N 3.12Å
275	I	71.4	Confident	83.4	Confident	92 Å²	92	38 Å²	38	47%	0.472	21%	0.209	S	C	.	.			trans	-63.8	115.5	170.1	-54.2	171.1	0	0	0	106.9	K721	I275-K721 VanDerWaalsContact CD1-NZ 3.25Å; I275-K721 HydrophobicContact CG1-CD 4.44Å
276	G	72.4	Confident	83.5	Confident	57 Å²	57	39.7 Å²	39.7	59%	0.588	22%	0.219	S	C	*	.	P	Polyproline II helix	trans	-64.1	165.3	173.9	0	0	0	0	0	111.6	Q274 T278	Q274-G276 PolarHBondContact O-N 3.42Å; Q274-G276 VanDerWaalsContact O-N 3.12Å; G276-T278 PolarHBondContact O-N 3.43Å
277	Q	80.7	Confident	83.7	Confident	109 Å²	109	39.9 Å²	39.9	51%	0.509	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-70.8	126.7	169.1	-69.8	-179.4	-29.3	0	0	109.4	K282	Q277-K282 HydrophobicContact CB-CD 4.47Å; Q277-K282 HydrophobicContact CB-CG 3.81Å; Q277-K282 WeakPolarHBondContact O-CE 3.46Å; Q277-K282 PolarHBondContact O-NZ 2.89Å
278	T	87.2	Confident	83.9	Confident	10 Å²	10	40.5 Å²	40.5	6%	0.061	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-61.2	155.9	173.4	63.7	0	0	0	0	110.6	G276 I280 N281 K282 E358	G276-T278 PolarHBondContact O-N 3.43Å; T278-I280 VanDerWaalsContact C-N 3.35Å; T278-I280 PolarHBondContact O-N 3.37Å; T278-I280 WeakPolarHBondContact OG1-CG2 3.43Å; T278-N281 PolarHBondContact O-N 2.99Å; T278-N281 VanDerWaalsContact O-N 3.17Å; T278-N281 WeakPolarHBondContact OG1-CB 3.39Å; T278-N281 PolarHBondContact OG1-N 2.72Å; T278-K282 WeakPolarHBondContact O-CG 3.36Å; T278-K282 PolarHBondContact O-N 3.17Å; T278-E358 HydrophobicContact CG2-CB 3.95Å; T278-E358 VanDerWaalsContact CG2-OE2 3.3Å; T278-E358 WeakPolarHBondContact CG2-OE2 3.47Å; T278-E358 PolarHBondContact OG1-OE2 2.69Å
279	P	89.4	Confident	84.1	Confident	5 Å²	5	45 Å²	45	3%	0.032	24%	0.242	C	C	.	.	H	α-helix	trans	-54.8	-48	176.8	-26.5	36.4	0	0	0	112.3	N281 K282 E283 T362 I706	P279-N281 VanDerWaalsContact C-N 3.32Å; P279-N281 PolarHBondContact O-N 2.73Å; P279-K282 WeakPolarHBondContact O-CB 3.39Å; P279-K282 PolarHBondContact O-N 2.93Å; P279-E283 WeakPolarHBondContact O-CG 3.37Å; P279-E283 PolarHBondContact O-N 3.03Å; P279-T362 WeakPolarHBondContact CD-OG1 3.31Å; P279-T362 HydrophobicContact CG-CG2 3.97Å; P279-I706 HydrophobicContact CG-CD1 3.94Å; P279-I706 HydrophobicContact CG-CG1 4.3Å; P279-I706 HydrophobicContact CG-CG2 3.97Å
280	I	90	Very high	84.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-39	176.8	-170.5	59.5	0	0	0	113.1	T278 E283 I284 E358 E361 L767 L839	T278-I280 VanDerWaalsContact C-N 3.35Å; T278-I280 PolarHBondContact O-N 3.37Å; T278-I280 WeakPolarHBondContact OG1-CG2 3.43Å; I280-E283 WeakPolarHBondContact O-CB 3.15Å; I280-E283 PolarHBondContact O-N 2.9Å; I280-I284 HydrophobicContact CD1-CD1 4.49Å; I280-I284 HydrophobicContact CD1-CG1 4.47Å; I280-I284 HydrophobicContact CG1-CD1 4Å; I280-I284 HydrophobicContact CG1-CG1 4.42Å; I280-I284 VanDerWaalsContact O-CG1 3.31Å; I280-I284 WeakPolarHBondContact O-CG1 3.34Å; I280-I284 PolarHBondContact O-N 3.11Å; I280-E358 HydrophobicContact CG2-CB 3.54Å; I280-E358 HydrophobicContact CG2-CG 3.85Å; I280-E361 HydrophobicContact CB-CB 4.2Å; I280-E361 HydrophobicContact CB-CG 4.23Å; I280-E361 WeakPolarHBondContact CB-OE2 3.49Å; I280-E361 HydrophobicContact CD1-CG 4.36Å; I280-E361 PolarHBondContact N-OE2 3.48Å; I280-L767 HydrophobicContact CD1-CD1 4.02Å; I280-L839 HydrophobicContact CD1-CD2 3.97Å
281	N	86.7	Confident	84.7	Confident	36 Å²	36	47.7 Å²	47.7	19%	0.193	26%	0.257	C	S	.	.	H	α-helix	trans	-67.7	-38.5	177.8	-165.5	-61	0	0	0	111.4	T278 P279 E283 I284 N285 E358	T278-N281 PolarHBondContact O-N 2.99Å; T278-N281 VanDerWaalsContact O-N 3.17Å; T278-N281 WeakPolarHBondContact OG1-CB 3.39Å; T278-N281 PolarHBondContact OG1-N 2.72Å; P279-N281 VanDerWaalsContact C-N 3.32Å; P279-N281 PolarHBondContact O-N 2.73Å; N281-E283 VanDerWaalsContact C-N 3.32Å; N281-E283 PolarHBondContact O-N 3.07Å; N281-I284 PolarHBondContact O-N 3.07Å; N281-N285 WeakPolarHBondContact O-CB 3.26Å; N281-N285 VanDerWaalsContact O-CG 3.31Å; N281-N285 PolarHBondContact O-N 3.25Å; N281-N285 PolarHBondContact O-ND2 3.24Å; N281-N285 PolarHBondContact OD1-ND2 3.36Å; N281-E358 PolarHBondContact ND2-OE1 3.33Å
282	K	88.9	Confident	85.1	Confident	92 Å²	92	47.9 Å²	47.9	40%	0.4	26%	0.256	S	S	.	.	H	α-helix	trans	-60.4	-42.1	171.5	-69.4	171.7	-179.7	160.4	0	111.5	Q277 T278 P279 N285 H286	Q277-K282 HydrophobicContact CB-CD 4.47Å; Q277-K282 HydrophobicContact CB-CG 3.81Å; Q277-K282 WeakPolarHBondContact O-CE 3.46Å; Q277-K282 PolarHBondContact O-NZ 2.89Å; T278-K282 WeakPolarHBondContact O-CG 3.36Å; T278-K282 PolarHBondContact O-N 3.17Å; P279-K282 WeakPolarHBondContact O-CB 3.39Å; P279-K282 PolarHBondContact O-N 2.93Å; K282-N285 PolarHBondContact O-N 2.91Å; K282-H286 WeakPolarHBondContact O-CB 3.35Å; K282-H286 PolarHBondContact O-N 3.04Å
283	E	90.1	Very high	85.6	Confident	4 Å²	4	50 Å²	50	2%	0.019	27%	0.267	C	S	.	.	H	α-helix	trans	-65.2	-44.7	176.4	-66	-56.7	148.1	0	0	112.2	P279 I280 N281 N285 H286 F287 F764 R832 K838 L839	P279-E283 WeakPolarHBondContact O-CG 3.37Å; P279-E283 PolarHBondContact O-N 3.03Å; I280-E283 WeakPolarHBondContact O-CB 3.15Å; I280-E283 PolarHBondContact O-N 2.9Å; N281-E283 VanDerWaalsContact C-N 3.32Å; N281-E283 PolarHBondContact O-N 3.07Å; E283-N285 PolarHBondContact O-N 3.07Å; E283-H286 PolarHBondContact O-N 3.43Å; E283-F287 WeakPolarHBondContact O-CB 3.42Å; E283-F287 PolarHBondContact O-N 2.8Å; E283-F764 HydrophobicContact CG-CE2 4.49Å; E283-R832 IonicContact OE1-CZ 2.94Å; E283-R832 IonicContact OE1-NH1 3.05Å; E283-R832 PolarHBondContact OE1-NH1 3.31Å; E283-K838 IonicContact OE1-NZ 2.71Å; E283-K838 WeakPolarHBondContact OE2-CA 3.36Å; E283-K838 WeakPolarHBondContact OE2-CD 3.49Å; E283-L839 HydrophobicContact CB-CB 3.75Å; E283-L839 HydrophobicContact CB-CD2 4.14Å; E283-L839 HydrophobicContact CG-CB 4.03Å; E283-L839 PolarHBondContact OE2-N 2.8Å
284	I	87.7	Confident	86	Confident	25 Å²	25	51.7 Å²	51.7	13%	0.128	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-43.4	176.5	-69.9	168.5	0	0	0	110.6	I280 N281 F287 I288 L333 V336	I280-I284 HydrophobicContact CD1-CD1 4.49Å; I280-I284 HydrophobicContact CD1-CG1 4.47Å; I280-I284 HydrophobicContact CG1-CD1 4Å; I280-I284 HydrophobicContact CG1-CG1 4.42Å; I280-I284 VanDerWaalsContact O-CG1 3.31Å; I280-I284 WeakPolarHBondContact O-CG1 3.34Å; I280-I284 PolarHBondContact O-N 3.11Å; N281-I284 PolarHBondContact O-N 3.07Å; I284-F287 WeakPolarHBondContact O-CB 3.18Å; I284-F287 PolarHBondContact O-N 2.86Å; I284-I288 HydrophobicContact CG2-CD1 3.64Å; I284-I288 HydrophobicContact CG2-CG1 4.26Å; I284-I288 WeakPolarHBondContact O-CB 3.37Å; I284-I288 WeakPolarHBondContact O-CG1 3.18Å; I284-I288 PolarHBondContact O-N 3.14Å; I284-L333 HydrophobicContact CG2-CD2 4.18Å; I284-V336 HydrophobicContact CD1-CG1 4.11Å
285	N	87.4	Confident	86.8	Confident	48 Å²	48	43.6 Å²	43.6	26%	0.257	24%	0.239	S	C	.	.	H	α-helix	trans	-64.4	-42.4	176.7	-72.4	-39.2	0	0	0	112.1	N281 K282 E283 F287 I288 H289	N281-N285 WeakPolarHBondContact O-CB 3.26Å; N281-N285 VanDerWaalsContact O-CG 3.31Å; N281-N285 PolarHBondContact O-N 3.25Å; N281-N285 PolarHBondContact O-ND2 3.24Å; N281-N285 PolarHBondContact OD1-ND2 3.36Å; K282-N285 PolarHBondContact O-N 2.91Å; E283-N285 PolarHBondContact O-N 3.07Å; N285-F287 VanDerWaalsContact C-N 3.32Å; N285-F287 PolarHBondContact O-N 2.95Å; N285-I288 PolarHBondContact O-N 3.33Å; N285-H289 PolarHBondContact O-CD2 3.27Å; N285-H289 PolarHBondContact O-N 2.78Å
286	H	88.6	Confident	87.6	Confident	79 Å²	79	42.1 Å²	42.1	37%	0.366	23%	0.234	S	C	.	.	H	α-helix	trans	-58.6	-47.2	174.9	177.2	67.2	0	0	0	111.2	K282 E283 H289 L290	K282-H286 WeakPolarHBondContact O-CB 3.35Å; K282-H286 PolarHBondContact O-N 3.04Å; E283-H286 PolarHBondContact O-N 3.43Å; H286-H289 PolarHBondContact O-N 2.91Å; H286-L290 PolarHBondContact O-N 3.26Å
287	F	89	Confident	88.6	Confident	5 Å²	5	46.1 Å²	46.1	2%	0.022	24%	0.236	C	C	.	.	H	α-helix	trans	-58.9	-49.2	175.6	163.7	-114.9	0	0	0	112.5	F96 E283 I284 N285 H289 L290 I291 P329 L332 I771 L775 V840	F96-F287 HydrophobicContact CE2-CD1 4.38Å; F96-F287 AromaticContact CE2-CE1 3.69Å; F96-F287 HydrophobicContact CE2-CE1 3.69Å; F96-F287 HydrophobicContact CE2-CZ 4.26Å; F96-F287 HydrophobicContact CZ-CD1 4.44Å; F96-F287 AromaticContact CZ-CE1 3.83Å; F96-F287 HydrophobicContact CZ-CE1 3.83Å; F96-F287 HydrophobicContact CZ-CZ 4.06Å; E283-F287 WeakPolarHBondContact O-CB 3.42Å; E283-F287 PolarHBondContact O-N 2.8Å; I284-F287 WeakPolarHBondContact O-CB 3.18Å; I284-F287 PolarHBondContact O-N 2.86Å; N285-F287 VanDerWaalsContact C-N 3.32Å; N285-F287 PolarHBondContact O-N 2.95Å; F287-H289 VanDerWaalsContact C-N 3.31Å; F287-H289 PolarHBondContact O-N 3.34Å; F287-L290 WeakPolarHBondContact O-CB 3.49Å; F287-L290 PolarHBondContact O-N 3.2Å; F287-L290 VanDerWaalsContact O-N 3.16Å; F287-I291 HydrophobicContact CD2-CD1 4.46Å; F287-I291 HydrophobicContact CD2-CG1 3.73Å; F287-I291 HydrophobicContact CE2-CB 4.47Å; F287-I291 HydrophobicContact CE2-CD1 3.85Å; F287-I291 HydrophobicContact CE2-CG1 3.19Å; F287-I291 HydrophobicContact CZ-CG1 3.75Å; F287-I291 PolarHBondContact O-N 2.78Å; F287-P329 HydrophobicContact CZ-CG 4.25Å; F287-L332 HydrophobicContact CE1-CD2 3.4Å; F287-L332 VanDerWaalsContact CE1-CD2 3.4Å; F287-L332 HydrophobicContact CE1-CG 4.48Å; F287-L332 HydrophobicContact CE2-CD2 4.35Å; F287-L332 HydrophobicContact CZ-CD2 3.25Å; F287-I771 HydrophobicContact CE2-CG2 4.4Å; F287-L775 HydrophobicContact CE2-CD1 3.94Å; F287-L775 HydrophobicContact CE2-CD2 4.13Å; F287-L775 HydrophobicContact CZ-CD2 4.25Å; F287-V840 HydrophobicContact CB-CB 4.39Å; F287-V840 HydrophobicContact CB-CG2 4.19Å; F287-V840 HydrophobicContact CD2-CB 3.96Å; F287-V840 HydrophobicContact CD2-CG1 4.04Å; F287-V840 HydrophobicContact CD2-CG2 3.55Å; F287-V840 HydrophobicContact CE2-CG2 4.19Å; F287-V840 HydrophobicContact CG-CG2 4.02Å
288	I	88.1	Confident	89	Confident	13 Å²	13	42.8 Å²	42.8	7%	0.067	22%	0.221	C	C	.	.	H	α-helix	trans	-57.7	-45	177.8	-72.1	167.2	0	0	0	110.6	F96 I284 N285 T292	F96-I288 HydrophobicContact CD1-CG2 4.27Å; F96-I288 HydrophobicContact CD2-CG1 3.95Å; F96-I288 HydrophobicContact CE1-CB 4.48Å; F96-I288 HydrophobicContact CE1-CG1 4.46Å; F96-I288 HydrophobicContact CE1-CG2 4.27Å; F96-I288 HydrophobicContact CE2-CB 4.49Å; F96-I288 HydrophobicContact CE2-CG1 3.65Å; F96-I288 HydrophobicContact CG-CG1 4.48Å; F96-I288 HydrophobicContact CZ-CB 4.29Å; F96-I288 HydrophobicContact CZ-CG1 3.93Å; I284-I288 HydrophobicContact CG2-CD1 3.64Å; I284-I288 HydrophobicContact CG2-CG1 4.26Å; I284-I288 WeakPolarHBondContact O-CB 3.37Å; I284-I288 WeakPolarHBondContact O-CG1 3.18Å; I284-I288 PolarHBondContact O-N 3.14Å; N285-I288 PolarHBondContact O-N 3.33Å; I288-T292 WeakPolarHBondContact O-CB 3.41Å; I288-T292 PolarHBondContact O-N 2.88Å; I288-T292 PolarHBondContact O-OG1 3.31Å
289	H	88.6	Confident	89.1	Confident	127 Å²	127	42.3 Å²	42.3	59%	0.588	22%	0.218	S	C	*	.	H	α-helix	trans	-64	-40.1	178.1	-75.5	-52.3	0	0	0	112.5	N285 H286 F287 S293	N285-H289 PolarHBondContact O-CD2 3.27Å; N285-H289 PolarHBondContact O-N 2.78Å; H286-H289 PolarHBondContact O-N 2.91Å; F287-H289 VanDerWaalsContact C-N 3.31Å; F287-H289 PolarHBondContact O-N 3.34Å; H289-S293 WeakPolarHBondContact O-CB 3.3Å; H289-S293 PolarHBondContact O-N 2.89Å; H289-S293 PolarHBondContact O-OG 3Å
290	L	89.9	Confident	89.2	Confident	58 Å²	58	45.6 Å²	45.6	30%	0.304	24%	0.238	S	C	.	.	H	α-helix	trans	-62.1	-54.6	177.3	-176.5	67.8	0	0	0	111	H286 F287 T292 S293 V294 V840 I845	H286-L290 PolarHBondContact O-N 3.26Å; F287-L290 WeakPolarHBondContact O-CB 3.49Å; F287-L290 PolarHBondContact O-N 3.2Å; F287-L290 VanDerWaalsContact O-N 3.16Å; L290-T292 PolarHBondContact O-N 3.3Å; L290-S293 WeakPolarHBondContact O-CB 3.4Å; L290-S293 PolarHBondContact O-N 2.74Å; L290-V294 PolarHBondContact O-N 3.47Å; L290-V840 HydrophobicContact CD2-CG1 4.15Å; L290-I845 HydrophobicContact CD2-CG1 4.14Å
291	I	89.7	Confident	89.2	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-65	-41.9	-179.1	-62.3	-55	0	0	0	111.4	F96 F287 S293 V294 A295 N327 L775 I845	F96-I291 HydrophobicContact CE1-CB 3.82Å; F96-I291 HydrophobicContact CE1-CG2 3.71Å; F96-I291 HydrophobicContact CZ-CB 3.87Å; F96-I291 HydrophobicContact CZ-CG1 4.34Å; F96-I291 HydrophobicContact CZ-CG2 3.96Å; F287-I291 HydrophobicContact CD2-CD1 4.46Å; F287-I291 HydrophobicContact CD2-CG1 3.73Å; F287-I291 HydrophobicContact CE2-CB 4.47Å; F287-I291 HydrophobicContact CE2-CD1 3.85Å; F287-I291 HydrophobicContact CE2-CG1 3.19Å; F287-I291 HydrophobicContact CZ-CG1 3.75Å; F287-I291 PolarHBondContact O-N 2.78Å; I291-S293 VanDerWaalsContact C-N 3.26Å; I291-S293 PolarHBondContact O-N 2.71Å; I291-V294 PolarHBondContact O-N 2.94Å; I291-A295 WeakPolarHBondContact O-CB 3.5Å; I291-A295 PolarHBondContact O-N 2.88Å; I291-N327 WeakPolarHBondContact CG2-O 3.4Å; I291-L775 HydrophobicContact CD1-CD2 4.06Å; I291-I845 HydrophobicContact CD1-CD1 4.28Å
292	T	88.3	Confident	89.4	Confident	31 Å²	31	47 Å²	47	19%	0.19	25%	0.247	C	C	.	.	H	α-helix	trans	-57.9	-41.4	174.7	-63.2	0	0	0	0	111.3	L99 I288 L290 A295 V296	L99-T292 HydrophobicContact CD1-CG2 3.76Å; L99-T292 HydrophobicContact CD2-CG2 4.19Å; L99-T292 HydrophobicContact CG-CG2 4.26Å; I288-T292 WeakPolarHBondContact O-CB 3.41Å; I288-T292 PolarHBondContact O-N 2.88Å; I288-T292 PolarHBondContact O-OG1 3.31Å; L290-T292 PolarHBondContact O-N 3.3Å; T292-A295 PolarHBondContact O-N 2.82Å; T292-V296 HydrophobicContact CG2-CG2 4.32Å; T292-V296 WeakPolarHBondContact O-CB 3.46Å; T292-V296 VanDerWaalsContact O-CG2 3.29Å; T292-V296 WeakPolarHBondContact O-CG2 3.37Å; T292-V296 PolarHBondContact O-N 2.93Å
293	S	89.8	Confident	89.4	Confident	78 Å²	78	45.2 Å²	45.2	55%	0.545	24%	0.24	S	C	.	.	H	α-helix	trans	-64.9	-42.3	178.6	-59.7	0	0	0	0	111.6	H289 L290 I291 F297	H289-S293 WeakPolarHBondContact O-CB 3.3Å; H289-S293 PolarHBondContact O-N 2.89Å; H289-S293 PolarHBondContact O-OG 3Å; L290-S293 WeakPolarHBondContact O-CB 3.4Å; L290-S293 PolarHBondContact O-N 2.74Å; I291-S293 VanDerWaalsContact C-N 3.26Å; I291-S293 PolarHBondContact O-N 2.71Å; S293-F297 WeakPolarHBondContact O-CB 3.32Å; S293-F297 PolarHBondContact O-N 2.82Å
294	V	89.5	Confident	89.5	Confident	45 Å²	45	48.5 Å²	48.5	27%	0.273	26%	0.26	S	S	.	.	H	α-helix	trans	-65.4	-45.5	175.5	176.2	0	0	0	0	111.2	L290 I291 V296 F297 L298	L290-V294 PolarHBondContact O-N 3.47Å; I291-V294 PolarHBondContact O-N 2.94Å; V294-V296 PolarHBondContact O-N 3.32Å; V294-F297 PolarHBondContact O-N 2.88Å; V294-L298 HydrophobicContact CG1-CD1 3.91Å; V294-L298 HydrophobicContact CG1-CG 4.33Å; V294-L298 WeakPolarHBondContact O-CB 3.33Å; V294-L298 WeakPolarHBondContact O-CG 3.36Å; V294-L298 PolarHBondContact O-N 3.5Å
295	A	88.8	Confident	89.7	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.7	-47.8	179.2	0	0	0	0	0	112	I291 T292 G299 N327	I291-A295 WeakPolarHBondContact O-CB 3.5Å; I291-A295 PolarHBondContact O-N 2.88Å; T292-A295 PolarHBondContact O-N 2.82Å; A295-G299 PolarHBondContact O-N 2.78Å; A295-N327 HydrophobicContact CB-CB 3.51Å
296	V	89.6	Confident	89.7	Confident	62 Å²	62	47.7 Å²	47.7	38%	0.376	26%	0.256	S	S	.	.	H	α-helix	trans	-67.9	-40.8	177.6	173.2	0	0	0	0	110.9	L99 T292 V294 G299 V300	L99-V296 HydrophobicContact CD2-CG2 4.23Å; T292-V296 HydrophobicContact CG2-CG2 4.32Å; T292-V296 WeakPolarHBondContact O-CB 3.46Å; T292-V296 VanDerWaalsContact O-CG2 3.29Å; T292-V296 WeakPolarHBondContact O-CG2 3.37Å; T292-V296 PolarHBondContact O-N 2.93Å; V294-V296 PolarHBondContact O-N 3.32Å; V296-G299 PolarHBondContact O-N 2.87Å; V296-V300 HydrophobicContact CG1-CG2 4.1Å; V296-V300 WeakPolarHBondContact O-CB 3.35Å; V296-V300 VanDerWaalsContact O-CG2 3.3Å; V296-V300 WeakPolarHBondContact O-CG2 3.49Å; V296-V300 PolarHBondContact O-N 2.88Å
297	F	92.3	Very high	89.7	Confident	140 Å²	140	48.1 Å²	48.1	61%	0.614	26%	0.257	S	S	*	.	H	α-helix	trans	-60.9	-50.7	177.6	173.3	-102.3	0	0	0	111.8	S293 V294 S301	S293-F297 WeakPolarHBondContact O-CB 3.32Å; S293-F297 PolarHBondContact O-N 2.82Å; V294-F297 PolarHBondContact O-N 2.88Å; F297-S301 WeakPolarHBondContact O-CB 3.45Å; F297-S301 PolarHBondContact O-N 2.85Å; F297-S301 PolarHBondContact O-OG 3.36Å
298	L	90.5	Very high	89.8	Confident	39 Å²	39	54.2 Å²	54.2	20%	0.204	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-47.1	177.2	-70	177.6	0	0	0	111	V294 V300 S301 F302 I323	V294-L298 HydrophobicContact CG1-CD1 3.91Å; V294-L298 HydrophobicContact CG1-CG 4.33Å; V294-L298 WeakPolarHBondContact O-CB 3.33Å; V294-L298 WeakPolarHBondContact O-CG 3.36Å; V294-L298 PolarHBondContact O-N 3.5Å; L298-V300 PolarHBondContact O-N 2.67Å; L298-S301 PolarHBondContact O-N 2.97Å; L298-F302 HydrophobicContact CD2-CE2 4.43Å; L298-F302 WeakPolarHBondContact O-CB 3.45Å; L298-F302 WeakPolarHBondContact O-CD2 3.35Å; L298-F302 PolarHBondContact O-N 2.83Å; L298-I323 HydrophobicContact CB-CG2 4.03Å
299	G	88.9	Confident	89.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-56.3	-53	179.2	0	0	0	0	0	112.8	A295 V296 F303 L320	A295-G299 PolarHBondContact O-N 2.78Å; V296-G299 PolarHBondContact O-N 2.87Å; G299-F303 VanDerWaalsContact O-CB 3.27Å; G299-F303 WeakPolarHBondContact O-CB 3.27Å; G299-F303 PolarHBondContact O-N 2.88Å; G299-L320 VanDerWaalsContact O-CD1 3.31Å; G299-L320 WeakPolarHBondContact O-CD1 3.4Å
300	V	90.1	Very high	89.8	Confident	75 Å²	75	54 Å²	54	46%	0.455	30%	0.304	S	S	.	.	H	α-helix	trans	-68	-39.6	-179.2	175	0	0	0	0	111.6	V296 L298 F302 F303 V304	V296-V300 HydrophobicContact CG1-CG2 4.1Å; V296-V300 WeakPolarHBondContact O-CB 3.35Å; V296-V300 VanDerWaalsContact O-CG2 3.3Å; V296-V300 WeakPolarHBondContact O-CG2 3.49Å; V296-V300 PolarHBondContact O-N 2.88Å; L298-V300 PolarHBondContact O-N 2.67Å; V300-F302 PolarHBondContact O-N 2.96Å; V300-F303 WeakPolarHBondContact O-CB 3.46Å; V300-F303 PolarHBondContact O-N 3.08Å; V300-V304 WeakPolarHBondContact O-CG2 3.42Å; V300-V304 PolarHBondContact O-N 3.09Å
301	S	91.8	Very high	89.6	Confident	39 Å²	39	51.8 Å²	51.8	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-61.4	-46.9	178.4	-61.6	0	0	0	0	111.1	F297 L298 V304 I305	F297-S301 WeakPolarHBondContact O-CB 3.45Å; F297-S301 PolarHBondContact O-N 2.85Å; F297-S301 PolarHBondContact O-OG 3.36Å; L298-S301 PolarHBondContact O-N 2.97Å; S301-V304 PolarHBondContact O-N 2.89Å; S301-I305 VanDerWaalsContact O-CG1 3.27Å; S301-I305 WeakPolarHBondContact O-CG1 3.49Å; S301-I305 PolarHBondContact O-N 3.14Å
302	F	89.9	Confident	89.3	Confident	25 Å²	25	57 Å²	57	11%	0.11	32%	0.315	C	S	.	.	H	α-helix	trans	-73.9	-28.1	179.1	-83.9	-95.2	0	0	0	113.3	L298 V300 I305 A306 I323 L786 I789 L790	L298-F302 HydrophobicContact CD2-CE2 4.43Å; L298-F302 WeakPolarHBondContact O-CB 3.45Å; L298-F302 WeakPolarHBondContact O-CD2 3.35Å; L298-F302 PolarHBondContact O-N 2.83Å; V300-F302 PolarHBondContact O-N 2.96Å; F302-I305 PolarHBondContact O-N 2.86Å; F302-A306 VanDerWaalsContact O-CB 3.29Å; F302-A306 WeakPolarHBondContact O-CB 3.3Å; F302-A306 PolarHBondContact O-N 3.38Å; F302-I323 HydrophobicContact CB-CD1 3.37Å; F302-I323 HydrophobicContact CD1-CD1 4.42Å; F302-I323 HydrophobicContact CG-CD1 3.88Å; F302-L786 HydrophobicContact CD1-CD2 3.75Å; F302-L786 HydrophobicContact CD2-CD2 3.83Å; F302-L786 HydrophobicContact CE1-CB 3.83Å; F302-L786 HydrophobicContact CE1-CD1 4.45Å; F302-L786 HydrophobicContact CE1-CD2 3.61Å; F302-L786 HydrophobicContact CE1-CG 4.12Å; F302-L786 HydrophobicContact CE2-CD1 4.11Å; F302-L786 HydrophobicContact CE2-CD2 3.7Å; F302-L786 HydrophobicContact CE2-CG 4.41Å; F302-L786 HydrophobicContact CG-CD2 3.85Å; F302-L786 HydrophobicContact CZ-CB 4.01Å; F302-L786 HydrophobicContact CZ-CD1 3.81Å; F302-L786 HydrophobicContact CZ-CD2 3.6Å; F302-L786 HydrophobicContact CZ-CG 3.98Å; F302-I789 HydrophobicContact CD1-CD1 4.24Å; F302-L790 HydrophobicContact CE1-CD1 3.79Å; F302-L790 HydrophobicContact CE1-CD2 4.21Å; F302-L790 HydrophobicContact CE1-CG 3.91Å; F302-L790 HydrophobicContact CZ-CD1 4.2Å
303	F	89.3	Confident	89.1	Confident	55 Å²	55	61.4 Å²	61.4	24%	0.241	33%	0.329	C	S	.	.	H	α-helix	trans	-59.3	-49.3	167.5	177.6	-96.2	0	0	0	111.1	G299 V300 I305 A306 F307 A316 V317 L320	G299-F303 VanDerWaalsContact O-CB 3.27Å; G299-F303 WeakPolarHBondContact O-CB 3.27Å; G299-F303 PolarHBondContact O-N 2.88Å; V300-F303 WeakPolarHBondContact O-CB 3.46Å; V300-F303 PolarHBondContact O-N 3.08Å; F303-I305 PolarHBondContact O-N 3.46Å; F303-A306 PolarHBondContact O-N 3.29Å; F303-F307 AromaticContact CD1-CD2 3.98Å; F303-F307 HydrophobicContact CD1-CD2 3.98Å; F303-F307 AromaticContact CD1-CE2 3.97Å; F303-F307 HydrophobicContact CD1-CE2 3.97Å; F303-F307 HydrophobicContact CD2-CE2 4.06Å; F303-F307 AromaticContact CE1-CD2 3.82Å; F303-F307 HydrophobicContact CE1-CD2 3.82Å; F303-F307 AromaticContact CE1-CE2 3.43Å; F303-F307 HydrophobicContact CE1-CE2 3.43Å; F303-F307 VanDerWaalsContact CE1-CE2 3.43Å; F303-F307 HydrophobicContact CE1-CZ 4.43Å; F303-F307 HydrophobicContact CE2-CD2 4.38Å; F303-F307 AromaticContact CE2-CE2 3.55Å; F303-F307 HydrophobicContact CE2-CE2 3.55Å; F303-F307 HydrophobicContact CE2-CZ 4.43Å; F303-F307 HydrophobicContact CG-CD2 4.35Å; F303-F307 HydrophobicContact CG-CE2 4.28Å; F303-F307 HydrophobicContact CZ-CD2 4.07Å; F303-F307 AromaticContact CZ-CE2 3.23Å; F303-F307 HydrophobicContact CZ-CE2 3.23Å; F303-F307 HydrophobicContact CZ-CZ 4.02Å; F303-F307 VanDerWaalsContact O-CD2 3.31Å; F303-F307 WeakPolarHBondContact O-CD2 3.33Å; F303-F307 PolarHBondContact O-N 3.44Å; F303-A316 HydrophobicContact CD2-CB 3.93Å; F303-A316 WeakPolarHBondContact CD2-O 3.48Å; F303-A316 HydrophobicContact CE2-CB 4.07Å; F303-V317 HydrophobicContact CE2-CG2 3.86Å; F303-L320 HydrophobicContact CB-CB 4.43Å; F303-L320 HydrophobicContact CB-CD1 4.43Å; F303-L320 HydrophobicContact CD2-CB 4.03Å; F303-L320 HydrophobicContact CD2-CD2 4.09Å; F303-L320 HydrophobicContact CE2-CD2 4.4Å
304	V	91.6	Very high	88.7	Confident	74 Å²	74	58.7 Å²	58.7	45%	0.448	31%	0.308	S	S	.	.	H	α-helix	trans	-62.5	-42.6	176.7	173.6	0	0	0	0	111.3	V300 S301 A306 F307 I308	V300-V304 WeakPolarHBondContact O-CG2 3.42Å; V300-V304 PolarHBondContact O-N 3.09Å; S301-V304 PolarHBondContact O-N 2.89Å; V304-A306 VanDerWaalsContact C-N 3.35Å; V304-A306 PolarHBondContact O-N 2.8Å; V304-F307 PolarHBondContact O-N 2.75Å; V304-I308 HydrophobicContact CG1-CD1 3.9Å; V304-I308 WeakPolarHBondContact O-CG1 3.34Å; V304-I308 PolarHBondContact O-N 2.89Å
305	I	91.2	Very high	88.3	Confident	56 Å²	56	60.2 Å²	60.2	29%	0.287	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-43.6	175.9	-67.9	164.2	0	0	0	110.8	S301 F302 F303 F307 I308 L309 L790	S301-I305 VanDerWaalsContact O-CG1 3.27Å; S301-I305 WeakPolarHBondContact O-CG1 3.49Å; S301-I305 PolarHBondContact O-N 3.14Å; F302-I305 PolarHBondContact O-N 2.86Å; F303-I305 PolarHBondContact O-N 3.46Å; I305-F307 VanDerWaalsContact C-N 3.32Å; I305-F307 PolarHBondContact O-N 3.34Å; I305-I308 PolarHBondContact O-N 3.42Å; I305-I308 VanDerWaalsContact O-N 3.11Å; I305-L309 HydrophobicContact CG2-CD1 3.81Å; I305-L309 HydrophobicContact CG2-CG 4.22Å; I305-L309 WeakPolarHBondContact O-CG 3.45Å; I305-L309 PolarHBondContact O-N 3.36Å; I305-L790 HydrophobicContact CG2-CD2 3.96Å
306	A	88.6	Confident	88.1	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60	-42	176.5	0	0	0	0	0	111.4	F302 F303 V304 I308 L309 G310 Y311 A316 F319 I789	F302-A306 VanDerWaalsContact O-CB 3.29Å; F302-A306 WeakPolarHBondContact O-CB 3.3Å; F302-A306 PolarHBondContact O-N 3.38Å; F303-A306 PolarHBondContact O-N 3.29Å; V304-A306 VanDerWaalsContact C-N 3.35Å; V304-A306 PolarHBondContact O-N 2.8Å; A306-I308 PolarHBondContact O-N 2.9Å; A306-L309 PolarHBondContact O-N 3.45Å; A306-G310 PolarHBondContact O-N 3Å; A306-Y311 HydrophobicContact CB-CD2 4.19Å; A306-Y311 HydrophobicContact CB-CG 4.32Å; A306-Y311 WeakPolarHBondContact O-CB 3.29Å; A306-Y311 WeakPolarHBondContact O-CD2 3.25Å; A306-Y311 PolarHBondContact O-N 2.83Å; A306-Y311 VanDerWaalsContact O-N 3.08Å; A306-A316 HydrophobicContact CB-CB 4.06Å; A306-F319 HydrophobicContact CB-CD2 4.17Å; A306-I789 HydrophobicContact CB-CG2 4.42Å
307	F	88	Confident	87.8	Confident	88 Å²	88	58.5 Å²	58.5	39%	0.386	30%	0.302	S	S	.	.	H	α-helix	trans	-60.9	-43	172.4	-88.6	-78.7	0	0	0	113	F303 V304 I305 L309 G310 W313 A316	F303-F307 AromaticContact CD1-CD2 3.98Å; F303-F307 HydrophobicContact CD1-CD2 3.98Å; F303-F307 AromaticContact CD1-CE2 3.97Å; F303-F307 HydrophobicContact CD1-CE2 3.97Å; F303-F307 HydrophobicContact CD2-CE2 4.06Å; F303-F307 AromaticContact CE1-CD2 3.82Å; F303-F307 HydrophobicContact CE1-CD2 3.82Å; F303-F307 AromaticContact CE1-CE2 3.43Å; F303-F307 HydrophobicContact CE1-CE2 3.43Å; F303-F307 VanDerWaalsContact CE1-CE2 3.43Å; F303-F307 HydrophobicContact CE1-CZ 4.43Å; F303-F307 HydrophobicContact CE2-CD2 4.38Å; F303-F307 AromaticContact CE2-CE2 3.55Å; F303-F307 HydrophobicContact CE2-CE2 3.55Å; F303-F307 HydrophobicContact CE2-CZ 4.43Å; F303-F307 HydrophobicContact CG-CD2 4.35Å; F303-F307 HydrophobicContact CG-CE2 4.28Å; F303-F307 HydrophobicContact CZ-CD2 4.07Å; F303-F307 AromaticContact CZ-CE2 3.23Å; F303-F307 HydrophobicContact CZ-CE2 3.23Å; F303-F307 HydrophobicContact CZ-CZ 4.02Å; F303-F307 VanDerWaalsContact O-CD2 3.31Å; F303-F307 WeakPolarHBondContact O-CD2 3.33Å; F303-F307 PolarHBondContact O-N 3.44Å; V304-F307 PolarHBondContact O-N 2.75Å; I305-F307 VanDerWaalsContact C-N 3.32Å; I305-F307 PolarHBondContact O-N 3.34Å; F307-L309 VanDerWaalsContact C-N 3.31Å; F307-L309 PolarHBondContact O-N 3.43Å; F307-G310 PolarHBondContact O-N 3.39Å; F307-G310 VanDerWaalsContact O-N 3.11Å; F307-W313 HydrophobicContact CE1-CB 3.72Å; F307-W313 HydrophobicContact CZ-CB 3.46Å; F307-W313 VanDerWaalsContact CZ-CB 3.46Å; F307-A316 HydrophobicContact CD2-CB 3.95Å; F307-A316 HydrophobicContact CE2-CB 3.59Å; F307-A316 HydrophobicContact CZ-CB 4.23Å
308	I	91.6	Very high	87.3	Confident	132 Å²	132	54.1 Å²	54.1	68%	0.677	28%	0.284	S	S	*	.	H	α-helix	trans	-64.5	-37.1	178.9	-68	167.2	0	0	0	111.4	V304 I305 A306 G310	V304-I308 HydrophobicContact CG1-CD1 3.9Å; V304-I308 WeakPolarHBondContact O-CG1 3.34Å; V304-I308 PolarHBondContact O-N 2.89Å; I305-I308 PolarHBondContact O-N 3.42Å; I305-I308 VanDerWaalsContact O-N 3.11Å; A306-I308 PolarHBondContact O-N 2.9Å; I308-G310 PolarHBondContact O-N 2.96Å
309	L	89.2	Confident	86.9	Confident	80 Å²	80	52.9 Å²	52.9	42%	0.419	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-3	176.4	-67.9	174.9	0	0	0	113.4	I305 A306 F307 Y311 I789	I305-L309 HydrophobicContact CG2-CD1 3.81Å; I305-L309 HydrophobicContact CG2-CG 4.22Å; I305-L309 WeakPolarHBondContact O-CG 3.45Å; I305-L309 PolarHBondContact O-N 3.36Å; A306-L309 PolarHBondContact O-N 3.45Å; F307-L309 VanDerWaalsContact C-N 3.31Å; F307-L309 PolarHBondContact O-N 3.43Å; L309-Y311 HydrophobicContact CB-CD2 3.72Å; L309-Y311 HydrophobicContact CB-CE2 3.68Å; L309-Y311 HydrophobicContact CD1-CE2 4.1Å; L309-I789 HydrophobicContact CD1-CG2 4.25Å
310	G	87	Confident	86.8	Confident	55 Å²	55	54.3 Å²	54.3	57%	0.567	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	23.8	173.7	0	0	0	0	0	114.7	A306 F307 I308	A306-G310 PolarHBondContact O-N 3Å; F307-G310 PolarHBondContact O-N 3.39Å; F307-G310 VanDerWaalsContact O-N 3.11Å; I308-G310 PolarHBondContact O-N 2.96Å
311	Y	85.3	Confident	86.4	Confident	13 Å²	13	51 Å²	51	5%	0.051	26%	0.264	C	S	.	.			trans	-71.1	151.3	173.2	-73.5	-102.8	0	0	0	111.7	A306 L309 E315 F319 I789 D792 R882	A306-Y311 HydrophobicContact CB-CD2 4.19Å; A306-Y311 HydrophobicContact CB-CG 4.32Å; A306-Y311 WeakPolarHBondContact O-CB 3.29Å; A306-Y311 WeakPolarHBondContact O-CD2 3.25Å; A306-Y311 PolarHBondContact O-N 2.83Å; A306-Y311 VanDerWaalsContact O-N 3.08Å; L309-Y311 HydrophobicContact CB-CD2 3.72Å; L309-Y311 HydrophobicContact CB-CE2 3.68Å; L309-Y311 HydrophobicContact CD1-CE2 4.1Å; Y311-E315 HydrophobicContact CD1-CB 4.37Å; Y311-E315 WeakPolarHBondContact CD1-OE2 3.44Å; Y311-F319 HydrophobicContact CD1-CD2 4.47Å; Y311-F319 AromaticContact CD1-CE2 3.34Å; Y311-F319 HydrophobicContact CD1-CE2 3.34Å; Y311-F319 AromaticContact CD1-CZ 3.86Å; Y311-F319 HydrophobicContact CD1-CZ 3.86Å; Y311-F319 HydrophobicContact CE1-CD2 4.46Å; Y311-F319 AromaticContact CE1-CE2 3.29Å; Y311-F319 HydrophobicContact CE1-CE2 3.29Å; Y311-F319 AromaticContact CE1-CZ 3.63Å; Y311-F319 HydrophobicContact CE1-CZ 3.63Å; Y311-F319 HydrophobicContact CG-CE2 4.1Å; Y311-I789 HydrophobicContact CE2-CG2 4.37Å; Y311-I789 WeakPolarHBondContact OH-CA 3.28Å; Y311-I789 PolarHBondContact OH-O 3.16Å; Y311-D792 PolarHBondContact OH-OD1 3.18Å; Y311-R882 PolarHBondContact OH-NE 3.12Å; Y311-R882 PolarHBondContact OH-NH2 3.01Å
312	H	84.5	Confident	85.9	Confident	110 Å²	110	49.3 Å²	49.3	51%	0.509	25%	0.253	S	S	.	.			trans	-68	145.5	174.2	-165	60.8	0	0	0	109.9	L314 E315 A316	H312-L314 PolarHBondContact O-N 3.24Å; H312-L314 VanDerWaalsContact O-N 3.09Å; H312-E315 HydrophobicContact CB-CG 4.2Å; H312-E315 PolarHBondContact N-OE2 3.34Å; H312-E315 WeakPolarHBondContact O-CB 3.31Å; H312-E315 PolarHBondContact O-N 3.34Å; H312-A316 PolarHBondContact O-N 3.43Å
313	W	83.5	Confident	85.8	Confident	124 Å²	124	48.1 Å²	48.1	47%	0.47	25%	0.248	S	C	.	.	H	α-helix	trans	-56.4	-33.6	-175.7	69.7	-87.5	0	0	0	112.8	I113 F307 A316 V317	I113-W313 HydrophobicContact CD1-CH2 3.69Å; I113-W313 HydrophobicContact CD1-CZ3 4.35Å; F307-W313 HydrophobicContact CE1-CB 3.72Å; F307-W313 HydrophobicContact CZ-CB 3.46Å; F307-W313 VanDerWaalsContact CZ-CB 3.46Å; W313-A316 PolarHBondContact O-N 3Å; W313-V317 HydrophobicContact CE3-CG2 4.25Å; W313-V317 VanDerWaalsContact O-CG2 3.3Å; W313-V317 WeakPolarHBondContact O-CG2 3.5Å; W313-V317 PolarHBondContact O-N 2.85Å
314	L	81	Confident	85.5	Confident	21 Å²	21	46.5 Å²	46.5	11%	0.11	24%	0.242	C	C	.	.	H	α-helix	trans	-65.4	-43.9	175.8	-169.1	70.3	0	0	0	111.7	I113 E114 H312 A316 V317 I318	I113-L314 HydrophobicContact CB-CD1 4.25Å; I113-L314 HydrophobicContact CD1-CD1 3.77Å; I113-L314 HydrophobicContact CG2-CD1 4.06Å; I113-L314 HydrophobicContact CG2-CD2 4.02Å; E114-L314 HydrophobicContact CG-CD2 4.2Å; H312-L314 PolarHBondContact O-N 3.24Å; H312-L314 VanDerWaalsContact O-N 3.09Å; L314-A316 VanDerWaalsContact C-N 3.35Å; L314-V317 PolarHBondContact O-N 2.9Å; L314-I318 HydrophobicContact CG-CD1 4.41Å; L314-I318 WeakPolarHBondContact O-CG1 3.32Å; L314-I318 PolarHBondContact O-N 2.97Å
315	E	80.8	Confident	85.1	Confident	77 Å²	77	43.1 Å²	43.1	36%	0.36	22%	0.221	S	C	.	.	H	α-helix	trans	-63.6	-43	176	-61.4	175.8	157.3	0	0	110.6	Y311 H312 V317 I318 F319	Y311-E315 HydrophobicContact CD1-CB 4.37Å; Y311-E315 WeakPolarHBondContact CD1-OE2 3.44Å; H312-E315 HydrophobicContact CB-CG 4.2Å; H312-E315 PolarHBondContact N-OE2 3.34Å; H312-E315 WeakPolarHBondContact O-CB 3.31Å; H312-E315 PolarHBondContact O-N 3.34Å; E315-V317 VanDerWaalsContact C-N 3.3Å; E315-V317 PolarHBondContact O-N 2.86Å; E315-I318 PolarHBondContact O-N 2.8Å; E315-I318 VanDerWaalsContact O-N 3.12Å; E315-F319 HydrophobicContact CB-CE2 4.17Å; E315-F319 HydrophobicContact CB-CZ 4.09Å; E315-F319 VanDerWaalsContact O-CD2 3.31Å; E315-F319 WeakPolarHBondContact O-CD2 3.41Å; E315-F319 VanDerWaalsContact O-CG 3.25Å; E315-F319 WeakPolarHBondContact O-CG 3.23Å; E315-F319 PolarHBondContact O-N 3.3Å
316	A	85.7	Confident	84.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-40.2	175.7	0	0	0	0	0	111.8	F303 A306 F307 H312 W313 L314 F319 L320	F303-A316 HydrophobicContact CD2-CB 3.93Å; F303-A316 WeakPolarHBondContact CD2-O 3.48Å; F303-A316 HydrophobicContact CE2-CB 4.07Å; A306-A316 HydrophobicContact CB-CB 4.06Å; F307-A316 HydrophobicContact CD2-CB 3.95Å; F307-A316 HydrophobicContact CE2-CB 3.59Å; F307-A316 HydrophobicContact CZ-CB 4.23Å; H312-A316 PolarHBondContact O-N 3.43Å; W313-A316 PolarHBondContact O-N 3Å; L314-A316 VanDerWaalsContact C-N 3.35Å; A316-F319 PolarHBondContact O-N 3.21Å; A316-L320 WeakPolarHBondContact O-CB 3.37Å; A316-L320 PolarHBondContact O-N 3.24Å
317	V	83.5	Confident	84.9	Confident	26 Å²	26	40.5 Å²	40.5	16%	0.158	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-43.1	173.3	170.2	0	0	0	0	111.3	L106 F303 W313 L314 E315 F319 L320 I321	L106-V317 HydrophobicContact CD2-CG1 4.49Å; F303-V317 HydrophobicContact CE2-CG2 3.86Å; W313-V317 HydrophobicContact CE3-CG2 4.25Å; W313-V317 VanDerWaalsContact O-CG2 3.3Å; W313-V317 WeakPolarHBondContact O-CG2 3.5Å; W313-V317 PolarHBondContact O-N 2.85Å; L314-V317 PolarHBondContact O-N 2.9Å; E315-V317 VanDerWaalsContact C-N 3.3Å; E315-V317 PolarHBondContact O-N 2.86Å; V317-F319 VanDerWaalsContact C-N 3.3Å; V317-F319 PolarHBondContact O-N 3.1Å; V317-L320 WeakPolarHBondContact O-CB 3.34Å; V317-L320 PolarHBondContact O-N 3.17Å; V317-I321 HydrophobicContact CG1-CD1 4.14Å; V317-I321 VanDerWaalsContact O-CG1 3.3Å; V317-I321 WeakPolarHBondContact O-CG1 3.4Å; V317-I321 PolarHBondContact O-N 2.94Å
318	I	80.5	Confident	84.8	Confident	47 Å²	47	36.3 Å²	36.3	24%	0.241	19%	0.19	C	C	.	.	H	α-helix	trans	-61.3	-40.5	177.7	-68.3	165.6	0	0	0	110.8	A110 L314 E315 I321 G322	A110-I318 HydrophobicContact CB-CG1 4.47Å; L314-I318 HydrophobicContact CG-CD1 4.41Å; L314-I318 WeakPolarHBondContact O-CG1 3.32Å; L314-I318 PolarHBondContact O-N 2.97Å; E315-I318 PolarHBondContact O-N 2.8Å; E315-I318 VanDerWaalsContact O-N 3.12Å; I318-I321 WeakPolarHBondContact O-CB 3.37Å; I318-I321 PolarHBondContact O-N 3.31Å; I318-G322 PolarHBondContact O-N 3.49Å
319	F	83.5	Confident	84.6	Confident	13 Å²	13	30.1 Å²	30.1	6%	0.057	16%	0.158	C	C	.	.	H	α-helix	trans	-67.9	-40.2	175.9	-57.9	-25	0	0	0	113.1	A306 Y311 E315 A316 V317 I321 G322 I323 Y788 I789	A306-F319 HydrophobicContact CB-CD2 4.17Å; Y311-F319 HydrophobicContact CD1-CD2 4.47Å; Y311-F319 AromaticContact CD1-CE2 3.34Å; Y311-F319 HydrophobicContact CD1-CE2 3.34Å; Y311-F319 AromaticContact CD1-CZ 3.86Å; Y311-F319 HydrophobicContact CD1-CZ 3.86Å; Y311-F319 HydrophobicContact CE1-CD2 4.46Å; Y311-F319 AromaticContact CE1-CE2 3.29Å; Y311-F319 HydrophobicContact CE1-CE2 3.29Å; Y311-F319 AromaticContact CE1-CZ 3.63Å; Y311-F319 HydrophobicContact CE1-CZ 3.63Å; Y311-F319 HydrophobicContact CG-CE2 4.1Å; E315-F319 HydrophobicContact CB-CE2 4.17Å; E315-F319 HydrophobicContact CB-CZ 4.09Å; E315-F319 VanDerWaalsContact O-CD2 3.31Å; E315-F319 WeakPolarHBondContact O-CD2 3.41Å; E315-F319 VanDerWaalsContact O-CG 3.25Å; E315-F319 WeakPolarHBondContact O-CG 3.23Å; E315-F319 PolarHBondContact O-N 3.3Å; A316-F319 PolarHBondContact O-N 3.21Å; V317-F319 VanDerWaalsContact C-N 3.3Å; V317-F319 PolarHBondContact O-N 3.1Å; F319-I321 PolarHBondContact O-N 3.21Å; F319-G322 PolarHBondContact O-N 3.02Å; F319-I323 WeakPolarHBondContact O-CB 3.47Å; F319-I323 VanDerWaalsContact O-CG1 3.29Å; F319-I323 WeakPolarHBondContact O-CG1 3.28Å; F319-I323 PolarHBondContact O-N 3.46Å; F319-Y788 HydrophobicContact CD1-CE1 4.25Å; F319-Y788 HydrophobicContact CE1-CD1 4.09Å; F319-Y788 AromaticContact CE1-CE1 3.41Å; F319-Y788 HydrophobicContact CE1-CE1 3.41Å; F319-Y788 VanDerWaalsContact CE1-CE1 3.41Å; F319-Y788 HydrophobicContact CZ-CD1 4.4Å; F319-Y788 AromaticContact CZ-CE1 3.68Å; F319-Y788 HydrophobicContact CZ-CE1 3.68Å; F319-I789 HydrophobicContact CB-CD1 3.75Å; F319-I789 HydrophobicContact CB-CG1 4.42Å; F319-I789 HydrophobicContact CD2-CD1 3.94Å; F319-I789 HydrophobicContact CD2-CG1 3.78Å; F319-I789 HydrophobicContact CE2-CG1 4.19Å; F319-I789 HydrophobicContact CG-CD1 3.86Å; F319-I789 HydrophobicContact CG-CG1 3.98Å
320	L	85.9	Confident	84.4	Confident	30 Å²	30	26.5 Å²	26.5	16%	0.157	14%	0.139	C	C	.	.	H	α-helix	trans	-54.9	-45.6	173	172.6	66.6	0	0	0	110.5	G299 F303 A316 V317 I324	G299-L320 VanDerWaalsContact O-CD1 3.31Å; G299-L320 WeakPolarHBondContact O-CD1 3.4Å; F303-L320 HydrophobicContact CB-CB 4.43Å; F303-L320 HydrophobicContact CB-CD1 4.43Å; F303-L320 HydrophobicContact CD2-CB 4.03Å; F303-L320 HydrophobicContact CD2-CD2 4.09Å; F303-L320 HydrophobicContact CE2-CD2 4.4Å; A316-L320 WeakPolarHBondContact O-CB 3.37Å; A316-L320 PolarHBondContact O-N 3.24Å; V317-L320 WeakPolarHBondContact O-CB 3.34Å; V317-L320 PolarHBondContact O-N 3.17Å; L320-I324 HydrophobicContact CD1-CD1 3.72Å; L320-I324 HydrophobicContact CD1-CG1 4.25Å; L320-I324 HydrophobicContact CG-CD1 3.94Å; L320-I324 WeakPolarHBondContact O-CB 3.29Å; L320-I324 VanDerWaalsContact O-CG1 3.25Å; L320-I324 WeakPolarHBondContact O-CG1 3.3Å; L320-I324 PolarHBondContact O-N 3.38Å
321	I	81.7	Confident	84.3	Confident	6 Å²	6	24 Å²	24	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-61.8	-50.6	176.4	-62	163.2	0	0	0	110.4	L106 V317 I318 F319 I323 I324 V325	L106-I321 HydrophobicContact CB-CD1 3.57Å; L106-I321 HydrophobicContact CB-CG1 3.85Å; L106-I321 HydrophobicContact CD1-CG1 4.08Å; V317-I321 HydrophobicContact CG1-CD1 4.14Å; V317-I321 VanDerWaalsContact O-CG1 3.3Å; V317-I321 WeakPolarHBondContact O-CG1 3.4Å; V317-I321 PolarHBondContact O-N 2.94Å; I318-I321 WeakPolarHBondContact O-CB 3.37Å; I318-I321 PolarHBondContact O-N 3.31Å; F319-I321 PolarHBondContact O-N 3.21Å; I321-I323 VanDerWaalsContact C-N 3.31Å; I321-I323 PolarHBondContact O-N 3.34Å; I321-I324 PolarHBondContact O-N 3.41Å; I321-V325 HydrophobicContact CG2-CG2 4.11Å; I321-V325 WeakPolarHBondContact O-CB 3.48Å; I321-V325 VanDerWaalsContact O-CG2 3.29Å; I321-V325 WeakPolarHBondContact O-CG2 3.41Å; I321-V325 PolarHBondContact O-N 3.18Å
322	G	82.1	Confident	84.4	Confident	4 Å²	4	23.5 Å²	23.5	4%	0.041	11%	0.111	C	C	.	.	H	α-helix	trans	-57.5	-42.3	-179.2	0	0	0	0	0	112.9	I318 F319 A326	I318-G322 PolarHBondContact O-N 3.49Å; F319-G322 PolarHBondContact O-N 3.02Å; G322-A326 VanDerWaalsContact O-CB 3.26Å; G322-A326 WeakPolarHBondContact O-CB 3.28Å; G322-A326 PolarHBondContact O-N 3.25Å
323	I	87.5	Confident	84.3	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-69.1	-42.1	177.8	-66.3	170.1	0	0	0	111.2	L298 F302 F319 I321 N327 F785 L786 I789	L298-I323 HydrophobicContact CB-CG2 4.03Å; F302-I323 HydrophobicContact CB-CD1 3.37Å; F302-I323 HydrophobicContact CD1-CD1 4.42Å; F302-I323 HydrophobicContact CG-CD1 3.88Å; F319-I323 WeakPolarHBondContact O-CB 3.47Å; F319-I323 VanDerWaalsContact O-CG1 3.29Å; F319-I323 WeakPolarHBondContact O-CG1 3.28Å; F319-I323 PolarHBondContact O-N 3.46Å; I321-I323 VanDerWaalsContact C-N 3.31Å; I321-I323 PolarHBondContact O-N 3.34Å; I323-N327 PolarHBondContact O-N 3.1Å; I323-N327 VanDerWaalsContact O-N 3.16Å; I323-N327 PolarHBondContact O-ND2 2.95Å; I323-F785 HydrophobicContact CG1-CB 4.16Å; I323-L786 HydrophobicContact CD1-CD2 3.88Å; I323-L786 HydrophobicContact CG1-CD2 4.16Å; I323-I789 HydrophobicContact CD1-CD1 3.95Å
324	I	83.5	Confident	84.4	Confident	21 Å²	21	14.6 Å²	14.6	11%	0.108	8%	0.078	C	C	.	.	H	α-helix	trans	-63.7	-47.2	178	-71.1	170.8	0	0	0	110.3	L320 I321 N327 V328	L320-I324 HydrophobicContact CD1-CD1 3.72Å; L320-I324 HydrophobicContact CD1-CG1 4.25Å; L320-I324 HydrophobicContact CG-CD1 3.94Å; L320-I324 WeakPolarHBondContact O-CB 3.29Å; L320-I324 VanDerWaalsContact O-CG1 3.25Å; L320-I324 WeakPolarHBondContact O-CG1 3.3Å; L320-I324 PolarHBondContact O-N 3.38Å; I321-I324 PolarHBondContact O-N 3.41Å; I324-N327 PolarHBondContact O-N 2.9Å; I324-N327 VanDerWaalsContact O-N 3.14Å; I324-V328 HydrophobicContact CG2-CG2 4.5Å; I324-V328 WeakPolarHBondContact O-CG2 3.39Å; I324-V328 PolarHBondContact O-N 3.46Å
325	V	81.9	Confident	84.9	Confident	2 Å²	2	13.7 Å²	13.7	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-59.9	-49.4	178.6	172.9	0	0	0	0	110	L132 I321 N327 V328 E330 T799	L132-V325 HydrophobicContact CD1-CG2 4.02Å; L132-V325 HydrophobicContact CD2-CG1 4.35Å; L132-V325 HydrophobicContact CD2-CG2 4.32Å; I321-V325 HydrophobicContact CG2-CG2 4.11Å; I321-V325 WeakPolarHBondContact O-CB 3.48Å; I321-V325 VanDerWaalsContact O-CG2 3.29Å; I321-V325 WeakPolarHBondContact O-CG2 3.41Å; I321-V325 PolarHBondContact O-N 3.18Å; V325-N327 PolarHBondContact O-N 3.35Å; V325-V328 PolarHBondContact O-N 3.17Å; V325-E330 WeakPolarHBondContact CG1-OE1 3.34Å; V325-T799 HydrophobicContact CG1-CG2 4.01Å
326	A	87.2	Confident	85.3	Confident	1 Å²	1	10.4 Å²	10.4	1%	0.008	6%	0.059	C	C	.	.	H	α-helix	trans	-62.2	-16.2	177.6	0	0	0	0	0	114.7	G322 I782 I802	G322-A326 VanDerWaalsContact O-CB 3.26Å; G322-A326 WeakPolarHBondContact O-CB 3.28Å; G322-A326 PolarHBondContact O-N 3.25Å; A326-I782 HydrophobicContact CB-CB 4.48Å; A326-I782 HydrophobicContact CB-CG1 3.78Å; A326-I782 VanDerWaalsContact O-CG1 3.29Å; A326-I782 WeakPolarHBondContact O-CG1 3.47Å; A326-I802 HydrophobicContact CB-CD1 4.01Å
327	N	88.7	Confident	85.4	Confident	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-92.5	-21.3	175.8	-87.1	-91.1	0	0	0	113.5	I291 A295 I323 I324 V325 P329 N778 I782	I291-N327 WeakPolarHBondContact CG2-O 3.4Å; A295-N327 HydrophobicContact CB-CB 3.51Å; I323-N327 PolarHBondContact O-N 3.1Å; I323-N327 VanDerWaalsContact O-N 3.16Å; I323-N327 PolarHBondContact O-ND2 2.95Å; I324-N327 PolarHBondContact O-N 2.9Å; I324-N327 VanDerWaalsContact O-N 3.14Å; V325-N327 PolarHBondContact O-N 3.35Å; N327-P329 WeakPolarHBondContact O-CD 3.41Å; N327-N778 PolarHBondContact O-ND2 2.67Å; N327-N778 VanDerWaalsContact O-ND2 3.11Å; N327-I782 HydrophobicContact CB-CD1 4.33Å; N327-I782 WeakPolarHBondContact ND2-CD1 3.1Å; N327-I782 WeakPolarHBondContact OD1-CD1 3.47Å
328	V	87.3	Confident	85.7	Confident	1 Å²	1	11.6 Å²	11.6	1%	0.006	7%	0.066	C	C	.	.	S	Bend	trans	-92	113	-174.3	174.5	0	0	0	0	108.4	F96 L99 L100 I324 V325 E330	F96-V328 HydrophobicContact CB-CG1 3.91Å; F96-V328 HydrophobicContact CD1-CG1 3.97Å; F96-V328 HydrophobicContact CD1-CG2 4.44Å; F96-V328 HydrophobicContact CG-CG1 3.97Å; L99-V328 HydrophobicContact CB-CG2 4.39Å; L99-V328 HydrophobicContact CD1-CG2 3.91Å; L100-V328 HydrophobicContact CD1-CG1 4.34Å; L100-V328 HydrophobicContact CD2-CB 4.26Å; L100-V328 HydrophobicContact CD2-CG1 3.9Å; L100-V328 HydrophobicContact CG-CG1 4.11Å; I324-V328 HydrophobicContact CG2-CG2 4.5Å; I324-V328 WeakPolarHBondContact O-CG2 3.39Å; I324-V328 PolarHBondContact O-N 3.46Å; V325-V328 PolarHBondContact O-N 3.17Å; V328-E330 HydrophobicContact CG1-CG 4.48Å; V328-E330 PolarHBondContact O-N 2.86Å
329	P	87.1	Confident	86.3	Confident	1 Å²	1	9.4 Å²	9.4	1%	0.006	6%	0.055	C	C	.	.			trans	-76.3	91.9	-179.3	31.6	-35.1	0	0	0	110.3	F96 F287 N327 G331 L332 T774 L775	F96-P329 HydrophobicContact CE2-CG 4.42Å; F96-P329 HydrophobicContact CZ-CG 4.45Å; F287-P329 HydrophobicContact CZ-CG 4.25Å; N327-P329 WeakPolarHBondContact O-CD 3.41Å; P329-G331 VanDerWaalsContact C-N 3.29Å; P329-G331 PolarHBondContact O-N 3.49Å; P329-L332 HydrophobicContact CB-CB 3.96Å; P329-L332 HydrophobicContact CB-CD2 4.35Å; P329-L332 HydrophobicContact CG-CB 4.09Å; P329-L332 HydrophobicContact CG-CD2 3.91Å; P329-L332 WeakPolarHBondContact O-CB 3.47Å; P329-L332 PolarHBondContact O-N 3.17Å; P329-T774 HydrophobicContact CB-CG2 4.02Å; P329-L775 HydrophobicContact CG-CD2 4.26Å
330	E	84.3	Confident	86.6	Confident	5 Å²	5	8.8 Å²	8.8	2%	0.023	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-31.2	-168.6	-61.7	92.7	161	0	0	113.3	L100 V135 V325 V328 L332 L807	L100-E330 HydrophobicContact CD1-CG 4.1Å; L100-E330 HydrophobicContact CD2-CG 3.98Å; V135-E330 HydrophobicContact CG1-CB 3.93Å; V135-E330 HydrophobicContact CG1-CG 4.21Å; V325-E330 WeakPolarHBondContact CG1-OE1 3.34Å; V328-E330 HydrophobicContact CG1-CG 4.48Å; V328-E330 PolarHBondContact O-N 2.86Å; E330-L332 VanDerWaalsContact C-N 3.35Å; E330-L807 HydrophobicContact CB-CD1 4.49Å; E330-L807 HydrophobicContact CB-CD2 3.98Å; E330-L807 HydrophobicContact CB-CG 4.31Å
331	G	84.6	Confident	86.8	Confident	3 Å²	3	10 Å²	10	3%	0.031	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.6	178.5	0	0	0	0	0	114.3	P329 L333 A334 T335	P329-G331 VanDerWaalsContact C-N 3.29Å; P329-G331 PolarHBondContact O-N 3.49Å; G331-L333 PolarHBondContact O-N 2.85Å; G331-A334 WeakPolarHBondContact O-CB 3.47Å; G331-A334 PolarHBondContact O-N 2.78Å; G331-T335 PolarHBondContact O-N 2.96Å; G331-T335 PolarHBondContact O-OG1 2.53Å
332	L	87.4	Confident	87.2	Confident	1 Å²	1	11.8 Å²	11.8	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-68.3	-40.9	-163.9	-175.3	60.1	0	0	0	113.8	F287 P329 E330 A334 T335 V336 I771 T774	F287-L332 HydrophobicContact CE1-CD2 3.4Å; F287-L332 VanDerWaalsContact CE1-CD2 3.4Å; F287-L332 HydrophobicContact CE1-CG 4.48Å; F287-L332 HydrophobicContact CE2-CD2 4.35Å; F287-L332 HydrophobicContact CZ-CD2 3.25Å; P329-L332 HydrophobicContact CB-CB 3.96Å; P329-L332 HydrophobicContact CB-CD2 4.35Å; P329-L332 HydrophobicContact CG-CB 4.09Å; P329-L332 HydrophobicContact CG-CD2 3.91Å; P329-L332 WeakPolarHBondContact O-CB 3.47Å; P329-L332 PolarHBondContact O-N 3.17Å; E330-L332 VanDerWaalsContact C-N 3.35Å; L332-A334 VanDerWaalsContact C-N 3.29Å; L332-A334 PolarHBondContact O-N 2.93Å; L332-T335 WeakPolarHBondContact O-CB 3.37Å; L332-T335 PolarHBondContact O-N 3.31Å; L332-V336 HydrophobicContact CD1-CG2 4.34Å; L332-V336 HydrophobicContact CG-CG2 4.42Å; L332-V336 WeakPolarHBondContact O-CG2 3.49Å; L332-V336 PolarHBondContact O-N 2.98Å; L332-I771 HydrophobicContact CD1-CB 4.47Å; L332-I771 HydrophobicContact CD1-CG1 3.89Å; L332-I771 HydrophobicContact CD2-CG1 4.28Å; L332-I771 HydrophobicContact CD2-CG2 4.24Å; L332-I771 HydrophobicContact CG-CG1 4.49Å; L332-T774 HydrophobicContact CB-CG2 4.28Å; L332-T774 HydrophobicContact CD1-CG2 4.31Å
333	L	83.4	Confident	87.7	Confident	32 Å²	32	11.8 Å²	11.8	17%	0.168	7%	0.07	C	C	.	.	H	α-helix	trans	-63.7	-37.6	178	-70.8	177.3	0	0	0	111.7	F96 I284 G331 T337	F96-L333 HydrophobicContact CD2-CD1 4.11Å; F96-L333 HydrophobicContact CD2-CG 4.3Å; I284-L333 HydrophobicContact CG2-CD2 4.18Å; G331-L333 PolarHBondContact O-N 2.85Å; L333-T337 WeakPolarHBondContact O-CB 3.37Å; L333-T337 PolarHBondContact O-N 2.87Å; L333-T337 VanDerWaalsContact O-N 3.08Å; L333-T337 PolarHBondContact O-OG1 3.4Å
334	A	86	Confident	87.8	Confident	15 Å²	15	12.3 Å²	12.3	12%	0.124	7%	0.074	C	C	.	.	H	α-helix	trans	-65.8	-44.7	174.3	0	0	0	0	0	110.5	G331 L332 T337 V338	G331-A334 WeakPolarHBondContact O-CB 3.47Å; G331-A334 PolarHBondContact O-N 2.78Å; L332-A334 VanDerWaalsContact C-N 3.29Å; L332-A334 PolarHBondContact O-N 2.93Å; A334-T337 WeakPolarHBondContact O-CB 3.39Å; A334-T337 PolarHBondContact O-N 2.99Å; A334-V338 WeakPolarHBondContact O-CG2 3.48Å; A334-V338 PolarHBondContact O-N 3.4Å
335	T	90.4	Very high	88	Confident	2 Å²	2	18.8 Å²	18.8	1%	0.012	10%	0.102	C	C	.	.	H	α-helix	trans	-56.2	-52.7	174.7	-62.8	0	0	0	0	111.6	G331 L332 T337 V338 C339 S770 A814 I815	G331-T335 PolarHBondContact O-N 2.96Å; G331-T335 PolarHBondContact O-OG1 2.53Å; L332-T335 WeakPolarHBondContact O-CB 3.37Å; L332-T335 PolarHBondContact O-N 3.31Å; T335-T337 VanDerWaalsContact C-N 3.28Å; T335-T337 PolarHBondContact O-N 2.87Å; T335-V338 PolarHBondContact O-N 2.81Å; T335-V338 VanDerWaalsContact O-N 3.15Å; T335-C339 WeakPolarHBondContact O-CB 3.33Å; T335-C339 PolarHBondContact O-N 2.82Å; T335-C339 PolarHBondContact O-SG 3.06Å; T335-S770 VanDerWaalsContact CG2-OG 3.32Å; T335-S770 WeakPolarHBondContact CG2-OG 3.46Å; T335-A814 HydrophobicContact CG2-CB 3.77Å; T335-I815 HydrophobicContact CG2-CG1 4.01Å
336	V	89.5	Confident	88.4	Confident	9 Å²	9	22 Å²	22	6%	0.055	11%	0.113	C	C	.	.	H	α-helix	trans	-56.6	-43.6	178.5	174.2	0	0	0	0	111.2	I284 L332 V338 C339 L340 L767	I284-V336 HydrophobicContact CD1-CG1 4.11Å; L332-V336 HydrophobicContact CD1-CG2 4.34Å; L332-V336 HydrophobicContact CG-CG2 4.42Å; L332-V336 WeakPolarHBondContact O-CG2 3.49Å; L332-V336 PolarHBondContact O-N 2.98Å; V336-V338 PolarHBondContact O-N 3.42Å; V336-C339 PolarHBondContact O-N 2.96Å; V336-L340 HydrophobicContact CG1-CD1 4.18Å; V336-L340 WeakPolarHBondContact O-CG 3.33Å; V336-L340 PolarHBondContact O-N 2.99Å; V336-L767 HydrophobicContact CB-CD2 4.35Å; V336-L767 HydrophobicContact CG1-CD2 4.11Å; V336-L767 HydrophobicContact CG2-CD2 4.15Å
337	T	87.4	Confident	88.4	Confident	7 Å²	7	22 Å²	22	4%	0.043	11%	0.113	C	C	.	.	H	α-helix	trans	-62.2	-44.2	178.6	-54.9	0	0	0	0	111.8	Q146 L333 A334 T335 T341	Q146-T337 HydrophobicContact CB-CG2 4.46Å; Q146-T337 PolarHBondContact OE1-OG1 2.87Å; L333-T337 WeakPolarHBondContact O-CB 3.37Å; L333-T337 PolarHBondContact O-N 2.87Å; L333-T337 VanDerWaalsContact O-N 3.08Å; L333-T337 PolarHBondContact O-OG1 3.4Å; A334-T337 WeakPolarHBondContact O-CB 3.39Å; A334-T337 PolarHBondContact O-N 2.99Å; T335-T337 VanDerWaalsContact C-N 3.28Å; T335-T337 PolarHBondContact O-N 2.87Å; T337-T341 WeakPolarHBondContact O-CB 3.4Å; T337-T341 PolarHBondContact O-N 3.36Å; T337-T341 PolarHBondContact O-OG1 2.86Å
338	V	90.3	Very high	88.5	Confident	43 Å²	43	23.9 Å²	23.9	26%	0.261	13%	0.129	S	C	.	.	H	α-helix	trans	-66.7	-44	177.6	175.1	0	0	0	0	110.5	A334 T335 V336 L340 T341 L342 I815	A334-V338 WeakPolarHBondContact O-CG2 3.48Å; A334-V338 PolarHBondContact O-N 3.4Å; T335-V338 PolarHBondContact O-N 2.81Å; T335-V338 VanDerWaalsContact O-N 3.15Å; V336-V338 PolarHBondContact O-N 3.42Å; V338-L340 PolarHBondContact O-N 3.41Å; V338-T341 WeakPolarHBondContact O-CB 3.49Å; V338-T341 PolarHBondContact O-N 3.18Å; V338-T341 VanDerWaalsContact O-N 3.11Å; V338-L342 HydrophobicContact CG1-CD1 4.09Å; V338-L342 HydrophobicContact CG1-CG 4.3Å; V338-L342 VanDerWaalsContact O-CG 3.32Å; V338-L342 WeakPolarHBondContact O-CG 3.31Å; V338-L342 PolarHBondContact O-N 2.91Å; V338-I815 HydrophobicContact CB-CD1 4.24Å; V338-I815 HydrophobicContact CB-CG1 4.31Å; V338-I815 HydrophobicContact CG1-CD1 4Å; V338-I815 HydrophobicContact CG1-CG1 4.16Å; V338-I815 HydrophobicContact CG1-CG2 3.79Å; V338-I815 HydrophobicContact CG2-CD1 4.46Å
339	C	92.5	Very high	88.5	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.007	16%	0.16	C	C	.	.	H	α-helix	trans	-55.9	-48.6	176.3	-65.9	0	0	0	0	111.7	T335 V336 T341 L342 T343 I763 L767 A818	T335-C339 WeakPolarHBondContact O-CB 3.33Å; T335-C339 PolarHBondContact O-N 2.82Å; T335-C339 PolarHBondContact O-SG 3.06Å; V336-C339 PolarHBondContact O-N 2.96Å; C339-T341 VanDerWaalsContact C-N 3.34Å; C339-T341 PolarHBondContact O-N 3.16Å; C339-L342 PolarHBondContact O-N 2.97Å; C339-T343 PolarHBondContact O-N 3.02Å; C339-T343 VanDerWaalsContact O-N 3.16Å; C339-T343 PolarHBondContact O-OG1 2.94Å; C339-I763 HydrophobicContact CB-CD1 4.16Å; C339-L767 HydrophobicContact CB-CD2 3.85Å; C339-A818 HydrophobicContact CB-CB 3.85Å
340	L	91.2	Very high	88.6	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.4	-38.2	175.8	-69	174	0	0	0	112.3	V336 V338 L342 T343 A344 L357 I763 L767	V336-L340 HydrophobicContact CG1-CD1 4.18Å; V336-L340 WeakPolarHBondContact O-CG 3.33Å; V336-L340 PolarHBondContact O-N 2.99Å; V338-L340 PolarHBondContact O-N 3.41Å; L340-L342 PolarHBondContact O-N 2.75Å; L340-T343 PolarHBondContact O-N 3.45Å; L340-A344 WeakPolarHBondContact O-CB 3.37Å; L340-A344 PolarHBondContact O-N 3.48Å; L340-L357 HydrophobicContact CB-CB 4.39Å; L340-I763 HydrophobicContact CD2-CG1 4.13Å; L340-L767 HydrophobicContact CD2-CD1 4.3Å
341	T	89	Confident	88.7	Confident	57 Å²	57	35.5 Å²	35.5	35%	0.35	19%	0.194	S	C	.	.	H	α-helix	trans	-64.2	-40.2	177.5	-60.3	0	0	0	0	111.9	T337 V338 C339 A344 K345	T337-T341 WeakPolarHBondContact O-CB 3.4Å; T337-T341 PolarHBondContact O-N 3.36Å; T337-T341 PolarHBondContact O-OG1 2.86Å; V338-T341 WeakPolarHBondContact O-CB 3.49Å; V338-T341 PolarHBondContact O-N 3.18Å; V338-T341 VanDerWaalsContact O-N 3.11Å; C339-T341 VanDerWaalsContact C-N 3.34Å; C339-T341 PolarHBondContact O-N 3.16Å; T341-A344 PolarHBondContact O-N 3.23Å; T341-K345 WeakPolarHBondContact O-CB 3.39Å; T341-K345 PolarHBondContact O-N 2.86Å
342	L	91	Very high	88.9	Confident	42 Å²	42	35.5 Å²	35.5	22%	0.22	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-43.5	177.2	-69.4	173.5	0	0	0	111.5	V338 C339 L340 K345 R346 I815 Y819	V338-L342 HydrophobicContact CG1-CD1 4.09Å; V338-L342 HydrophobicContact CG1-CG 4.3Å; V338-L342 VanDerWaalsContact O-CG 3.32Å; V338-L342 WeakPolarHBondContact O-CG 3.31Å; V338-L342 PolarHBondContact O-N 2.91Å; C339-L342 PolarHBondContact O-N 2.97Å; L340-L342 PolarHBondContact O-N 2.75Å; L342-K345 PolarHBondContact O-N 3.23Å; L342-R346 PolarHBondContact O-N 2.99Å; L342-I815 HydrophobicContact CD1-CG2 3.86Å; L342-Y819 HydrophobicContact CD1-CD2 4.41Å; L342-Y819 HydrophobicContact CD1-CE2 3.54Å; L342-Y819 WeakPolarHBondContact CD2-OH 3.31Å
343	T	91.7	Very high	89	Confident	4 Å²	4	38.9 Å²	38.9	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-66.4	-41.8	175.7	-50.4	0	0	0	0	111.6	C339 L340 K345 R346 M347 V360 E759 I763	C339-T343 PolarHBondContact O-N 3.02Å; C339-T343 VanDerWaalsContact O-N 3.16Å; C339-T343 PolarHBondContact O-OG1 2.94Å; L340-T343 PolarHBondContact O-N 3.45Å; T343-K345 VanDerWaalsContact C-N 3.29Å; T343-K345 PolarHBondContact O-N 3.46Å; T343-R346 WeakPolarHBondContact O-CB 3.2Å; T343-R346 PolarHBondContact O-N 2.97Å; T343-R346 VanDerWaalsContact O-N 3.1Å; T343-M347 HydrophobicContact CG2-CE 4.41Å; T343-M347 PolarHBondContact O-N 3.4Å; T343-V360 HydrophobicContact CG2-CG1 3.34Å; T343-E759 HydrophobicContact CG2-CB 4.16Å; T343-I763 HydrophobicContact CG2-CB 4.21Å; T343-I763 HydrophobicContact CG2-CG2 4.47Å; T343-I763 WeakPolarHBondContact OG1-CD1 3.23Å
344	A	89.4	Confident	89.2	Confident	11 Å²	11	38.2 Å²	38.2	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-59.3	-39.7	174.6	0	0	0	0	0	112	L340 T341 M347 A348 V354 L357 V360	L340-A344 WeakPolarHBondContact O-CB 3.37Å; L340-A344 PolarHBondContact O-N 3.48Å; T341-A344 PolarHBondContact O-N 3.23Å; A344-M347 PolarHBondContact O-N 2.96Å; A344-A348 WeakPolarHBondContact O-CB 3.45Å; A344-A348 PolarHBondContact O-N 3.43Å; A344-V354 HydrophobicContact CB-CB 4.47Å; A344-L357 HydrophobicContact CB-CD2 3.65Å; A344-V360 HydrophobicContact CB-CG2 3.9Å
345	K	88.4	Confident	89.1	Confident	158 Å²	158	39.1 Å²	39.1	69%	0.687	21%	0.21	S	C	*	.	H	α-helix	trans	-65.6	-38.4	175.1	-172.1	178.8	178.8	-178.4	0	111.9	T341 L342 T343 A348 S349	T341-K345 WeakPolarHBondContact O-CB 3.39Å; T341-K345 PolarHBondContact O-N 2.86Å; L342-K345 PolarHBondContact O-N 3.23Å; T343-K345 VanDerWaalsContact C-N 3.29Å; T343-K345 PolarHBondContact O-N 3.46Å; K345-A348 PolarHBondContact O-N 3.25Å; K345-S349 PolarHBondContact O-N 3.24Å; K345-S349 VanDerWaalsContact O-N 3.11Å
346	R	89	Confident	88.6	Confident	68 Å²	68	40 Å²	40	26%	0.257	21%	0.214	S	C	.	.	H	α-helix	trans	-65.8	-44.3	175.1	-168.5	-170.7	-67.2	169.4	-2.9	111.4	L342 T343 A348 S349 K350 E759	L342-R346 PolarHBondContact O-N 2.99Å; T343-R346 WeakPolarHBondContact O-CB 3.2Å; T343-R346 PolarHBondContact O-N 2.97Å; T343-R346 VanDerWaalsContact O-N 3.1Å; R346-A348 VanDerWaalsContact C-N 3.34Å; R346-A348 PolarHBondContact O-N 2.96Å; R346-S349 PolarHBondContact O-N 3.1Å; R346-S349 PolarHBondContact O-OG 3.46Å; R346-K350 PolarHBondContact O-N 3.32Å; R346-E759 WeakPolarHBondContact CD-OE1 3.48Å; R346-E759 VanDerWaalsContact CD-OE2 3.26Å; R346-E759 WeakPolarHBondContact CD-OE2 3.16Å; R346-E759 IonicContact CZ-OE2 3.16Å; R346-E759 IonicContact NE-OE2 2.75Å; R346-E759 IonicContact NH1-OE2 2.73Å; R346-E759 PolarHBondContact NH1-OE2 3.38Å
347	M	89	Confident	88.4	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-43.1	173.3	-72.8	-174.8	174.5	0	0	111.7	T343 A344 S349 K350 C352 V354 V360 M743 G756 E759	T343-M347 HydrophobicContact CG2-CE 4.41Å; T343-M347 PolarHBondContact O-N 3.4Å; A344-M347 PolarHBondContact O-N 2.96Å; M347-S349 VanDerWaalsContact C-N 3.27Å; M347-S349 PolarHBondContact O-N 3.02Å; M347-K350 CarbonylContact O-C 3.49Å; M347-K350 WeakPolarHBondContact O-CA 3.23Å; M347-K350 PolarHBondContact O-N 3Å; M347-C352 CarbonylContact C-O 3.59Å; M347-C352 HydrophobicContact CB-CB 4.22Å; M347-C352 WeakPolarHBondContact O-CB 3.39Å; M347-C352 PolarHBondContact O-N 2.98Å; M347-V354 HydrophobicContact CB-CG2 4.44Å; M347-V354 HydrophobicContact SD-CG2 3.86Å; M347-V360 HydrophobicContact CE-CB 4.33Å; M347-V360 HydrophobicContact CE-CG1 3.5Å; M347-V360 VanDerWaalsContact CE-CG1 3.5Å; M347-V360 HydrophobicContact SD-CB 4.37Å; M347-V360 HydrophobicContact SD-CG1 3.85Å; M347-V360 HydrophobicContact SD-CG2 4.28Å; M347-M743 HydrophobicContact SD-CE 4.23Å; M347-G756 WeakPolarHBondContact CE-O 3.43Å; M347-E759 HydrophobicContact CE-CB 3.5Å; M347-E759 VanDerWaalsContact CE-CB 3.5Å; M347-E759 HydrophobicContact CG-CB 4.35Å; M347-E759 HydrophobicContact CG-CG 4.5Å
348	A	88.9	Confident	88.4	Confident	40 Å²	40	40.7 Å²	40.7	33%	0.331	22%	0.217	S	C	.	.	H	α-helix	trans	-61.9	-34.2	177.9	0	0	0	0	0	112.6	A344 K345 R346 K350 N351 C352	A344-A348 WeakPolarHBondContact O-CB 3.45Å; A344-A348 PolarHBondContact O-N 3.43Å; K345-A348 PolarHBondContact O-N 3.25Å; R346-A348 VanDerWaalsContact C-N 3.34Å; R346-A348 PolarHBondContact O-N 2.96Å; A348-K350 PolarHBondContact O-N 3.06Å; A348-N351 PolarHBondContact O-N 2.87Å; A348-N351 VanDerWaalsContact O-N 3.16Å; A348-C352 VanDerWaalsContact CA-O 3.26Å; A348-C352 WeakPolarHBondContact CA-O 3.38Å; A348-C352 PolarHBondContact N-O 3Å; A348-C352 VanDerWaalsContact N-O 3.11Å
349	S	89	Confident	88.3	Confident	93 Å²	93	38.7 Å²	38.7	65%	0.65	21%	0.205	S	C	*	.	H	α-helix	trans	-66.4	-19.4	173.6	75.7	0	0	0	0	113.8	K345 R346 M347	K345-S349 PolarHBondContact O-N 3.24Å; K345-S349 VanDerWaalsContact O-N 3.11Å; R346-S349 PolarHBondContact O-N 3.1Å; R346-S349 PolarHBondContact O-OG 3.46Å; M347-S349 VanDerWaalsContact C-N 3.27Å; M347-S349 PolarHBondContact O-N 3.02Å
350	K	87.3	Confident	88.1	Confident	82 Å²	82	38.6 Å²	38.6	36%	0.357	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	31.7	174.1	-56.2	-178.4	-172.5	172.9	0	111.4	R346 M347 A348 C352 T755 E759	R346-K350 PolarHBondContact O-N 3.32Å; M347-K350 CarbonylContact O-C 3.49Å; M347-K350 WeakPolarHBondContact O-CA 3.23Å; M347-K350 PolarHBondContact O-N 3Å; A348-K350 PolarHBondContact O-N 3.06Å; K350-C352 PolarHBondContact O-N 2.82Å; K350-C352 VanDerWaalsContact O-N 3.07Å; K350-T755 HydrophobicContact CD-CG2 3.37Å; K350-E759 IonicContact NZ-OE1 2.66Å; K350-E759 PolarHBondContact NZ-OE1 3.44Å
351	N	87.2	Confident	88.2	Confident	75 Å²	75	38.6 Å²	38.6	40%	0.401	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	15.4	179.4	-58.2	-38.4	0	0	0	116	A348 L746 D747	A348-N351 PolarHBondContact O-N 2.87Å; A348-N351 VanDerWaalsContact O-N 3.16Å; N351-L746 HydrophobicContact CB-CB 4.21Å; N351-L746 WeakPolarHBondContact O-CB 3.39Å; N351-L746 PolarHBondContact O-N 3.49Å; N351-D747 HydrophobicContact CB-CB 3.98Å; N351-D747 PolarHBondContact ND2-OD2 3Å
352	C	88.7	Confident	88.4	Confident	4 Å²	4	35.9 Å²	35.9	3%	0.027	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	99	176.8	-175.9	0	0	0	0	109.8	M347 A348 K350 M743	M347-C352 CarbonylContact C-O 3.59Å; M347-C352 HydrophobicContact CB-CB 4.22Å; M347-C352 WeakPolarHBondContact O-CB 3.39Å; M347-C352 PolarHBondContact O-N 2.98Å; A348-C352 VanDerWaalsContact CA-O 3.26Å; A348-C352 WeakPolarHBondContact CA-O 3.38Å; A348-C352 PolarHBondContact N-O 3Å; A348-C352 VanDerWaalsContact N-O 3.11Å; K350-C352 PolarHBondContact O-N 2.82Å; K350-C352 VanDerWaalsContact O-N 3.07Å; C352-M743 VanDerWaalsContact SG-CG 3.57Å; C352-M743 PolarHBondContact SG-SD 3.35Å
353	L	89.9	Confident	88.5	Confident	71 Å²	71	33.9 Å²	33.9	37%	0.372	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	124.1	-177.6	178.7	67.5	0	0	0	110.7	M743 I744 L746	L353-M743 CarbonylContact O-C 3.51Å; L353-M743 WeakPolarHBondContact O-CA 3.42Å; L353-I744 HydrophobicContact CB-CB 4.4Å; L353-I744 PolarHBondContact N-O 3.11Å; L353-I744 PolarHBondContact O-N 2.9Å; L353-L746 HydrophobicContact CB-CD1 4.17Å; L353-L746 HydrophobicContact CB-CD2 4.13Å; L353-L746 HydrophobicContact CB-CG 4.06Å; L353-L746 HydrophobicContact CD2-CD2 4.26Å
354	V	87.4	Confident	88.5	Confident	18 Å²	18	33.9 Å²	33.9	11%	0.109	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.3	178.3	-175.7	0	0	0	0	110.4	A344 M347 N356 A359 V360 M743	A344-V354 HydrophobicContact CB-CB 4.47Å; M347-V354 HydrophobicContact CB-CG2 4.44Å; M347-V354 HydrophobicContact SD-CG2 3.86Å; V354-N356 WeakPolarHBondContact CG1-O 3.28Å; V354-A359 HydrophobicContact CG1-CB 4.24Å; V354-V360 HydrophobicContact CB-CG2 4.32Å; V354-V360 HydrophobicContact CG1-CG2 3.88Å; V354-V360 HydrophobicContact CG2-CG2 4.12Å; V354-M743 HydrophobicContact CG2-CE 3.8Å; V354-M743 HydrophobicContact CG2-CG 4.41Å
355	K	83.3	Confident	88.7	Confident	34 Å²	34	33.5 Å²	33.5	15%	0.148	18%	0.175	C	C	.	.	S	Bend	trans	-84.8	-40.6	177.3	-68.4	167.8	59.9	-165.1	0	111.9	K738 Q739 A741 D742 I744	K355-K738 PolarHBondContact NZ-O 3.19Å; K355-Q739 VanDerWaalsContact NZ-C 3.33Å; K355-Q739 PolarHBondContact NZ-O 2.75Å; K355-A741 WeakPolarHBondContact CD-O 3.32Å; K355-A741 PolarHBondContact NZ-O 2.86Å; K355-D742 WeakPolarHBondContact CB-O 3.14Å; K355-D742 PolarHBondContact N-O 2.84Å; K355-I744 HydrophobicContact CD-CD1 3.96Å; K355-I744 HydrophobicContact CD-CG1 4.27Å
356	N	81.3	Confident	89.1	Confident	20 Å²	20	26 Å²	26	11%	0.107	14%	0.142	C	C	.	.	S	Bend	trans	-108.4	117.4	175.8	-177.2	-2.5	0	0	0	110.1	V354 E358 A359	V354-N356 WeakPolarHBondContact CG1-O 3.28Å; N356-E358 PolarHBondContact O-N 2.95Å; N356-E358 VanDerWaalsContact O-N 3.08Å; N356-E358 PolarHBondContact OD1-N 3.19Å; N356-A359 HydrophobicContact CB-CB 4.39Å; N356-A359 VanDerWaalsContact O-CB 3.24Å; N356-A359 WeakPolarHBondContact O-CB 3.41Å; N356-A359 PolarHBondContact O-N 2.69Å
357	L	84.6	Confident	89.4	Confident	12 Å²	12	24.2 Å²	24.2	6%	0.063	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-26.9	-176.9	-65.2	176.5	0	0	0	113.4	Q146 L340 A344 A359 V360	Q146-L357 HydrophobicContact CB-CD1 4.23Å; Q146-L357 HydrophobicContact CG-CB 4.23Å; Q146-L357 HydrophobicContact CG-CD1 4.17Å; L340-L357 HydrophobicContact CB-CB 4.39Å; A344-L357 HydrophobicContact CB-CD2 3.65Å; L357-A359 VanDerWaalsContact C-N 3.29Å; L357-A359 PolarHBondContact O-N 2.81Å; L357-V360 WeakPolarHBondContact O-CB 3.19Å; L357-V360 VanDerWaalsContact O-CG2 3.26Å; L357-V360 WeakPolarHBondContact O-CG2 3.32Å
358	E	86.9	Confident	89.8	Confident	19 Å²	19	24.6 Å²	24.6	9%	0.089	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-28.4	176.3	-64.3	-175	170.5	0	0	112.8	Q146 T278 I280 N281 N356 V360 E361 T362	Q146-E358 PolarHBondContact NE2-OE1 2.95Å; T278-E358 HydrophobicContact CG2-CB 3.95Å; T278-E358 VanDerWaalsContact CG2-OE2 3.3Å; T278-E358 WeakPolarHBondContact CG2-OE2 3.47Å; T278-E358 PolarHBondContact OG1-OE2 2.69Å; I280-E358 HydrophobicContact CG2-CB 3.54Å; I280-E358 HydrophobicContact CG2-CG 3.85Å; N281-E358 PolarHBondContact ND2-OE1 3.33Å; N356-E358 PolarHBondContact O-N 2.95Å; N356-E358 VanDerWaalsContact O-N 3.08Å; N356-E358 PolarHBondContact OD1-N 3.19Å; E358-V360 PolarHBondContact O-N 3.17Å; E358-E361 PolarHBondContact O-N 3.45Å; E358-T362 PolarHBondContact O-N 3.47Å; E358-T362 PolarHBondContact O-OG1 2.98Å
359	A	87.7	Confident	90.2	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-66.6	-19.5	-178.3	0	0	0	0	0	113.1	V354 N356 L357 E361 T362 L363 I725 D742	V354-A359 HydrophobicContact CG1-CB 4.24Å; N356-A359 HydrophobicContact CB-CB 4.39Å; N356-A359 VanDerWaalsContact O-CB 3.24Å; N356-A359 WeakPolarHBondContact O-CB 3.41Å; N356-A359 PolarHBondContact O-N 2.69Å; L357-A359 VanDerWaalsContact C-N 3.29Å; L357-A359 PolarHBondContact O-N 2.81Å; A359-E361 VanDerWaalsContact C-N 3.28Å; A359-E361 PolarHBondContact O-N 3.42Å; A359-T362 PolarHBondContact O-N 3.21Å; A359-L363 PolarHBondContact O-N 3.33Å; A359-I725 HydrophobicContact CB-CD1 3.93Å; A359-I725 HydrophobicContact CB-CG1 4.11Å; A359-I725 VanDerWaalsContact O-CD1 3.29Å; A359-I725 WeakPolarHBondContact O-CD1 3.26Å; A359-D742 HydrophobicContact CB-CB 3.84Å
360	V	89.1	Confident	90.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-55.2	-45.2	173.7	-180	0	0	0	0	110.7	T343 A344 M347 V354 L357 E358 G760 I763	T343-V360 HydrophobicContact CG2-CG1 3.34Å; A344-V360 HydrophobicContact CB-CG2 3.9Å; M347-V360 HydrophobicContact CE-CB 4.33Å; M347-V360 HydrophobicContact CE-CG1 3.5Å; M347-V360 VanDerWaalsContact CE-CG1 3.5Å; M347-V360 HydrophobicContact SD-CB 4.37Å; M347-V360 HydrophobicContact SD-CG1 3.85Å; M347-V360 HydrophobicContact SD-CG2 4.28Å; V354-V360 HydrophobicContact CB-CG2 4.32Å; V354-V360 HydrophobicContact CG1-CG2 3.88Å; V354-V360 HydrophobicContact CG2-CG2 4.12Å; L357-V360 WeakPolarHBondContact O-CB 3.19Å; L357-V360 VanDerWaalsContact O-CG2 3.26Å; L357-V360 WeakPolarHBondContact O-CG2 3.32Å; E358-V360 PolarHBondContact O-N 3.17Å; V360-G760 VanDerWaalsContact O-CA 3.23Å; V360-G760 WeakPolarHBondContact O-CA 3.43Å; V360-I763 HydrophobicContact CG1-CG2 4.22Å
361	E	93	Very high	91	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-80.5	-37.1	-178.8	-177.8	-82.2	161.6	0	0	111.9	I280 E358 A359 L363 G364 S365 I763 F764 R832	I280-E361 HydrophobicContact CB-CB 4.2Å; I280-E361 HydrophobicContact CB-CG 4.23Å; I280-E361 WeakPolarHBondContact CB-OE2 3.49Å; I280-E361 HydrophobicContact CD1-CG 4.36Å; I280-E361 PolarHBondContact N-OE2 3.48Å; E358-E361 PolarHBondContact O-N 3.45Å; A359-E361 VanDerWaalsContact C-N 3.28Å; A359-E361 PolarHBondContact O-N 3.42Å; E361-L363 PolarHBondContact O-N 3.5Å; E361-L363 VanDerWaalsContact O-N 3.11Å; E361-G364 WeakPolarHBondContact O-CA 3.38Å; E361-G364 PolarHBondContact O-N 3.24Å; E361-S365 PolarHBondContact O-N 3.25Å; E361-S365 VanDerWaalsContact O-N 3.17Å; E361-S365 PolarHBondContact OE1-OG 2.83Å; E361-I763 HydrophobicContact CB-CG2 4.31Å; E361-F764 HydrophobicContact CG-CB 4.28Å; E361-F764 HydrophobicContact CG-CD2 4.04Å; E361-F764 WeakPolarHBondContact OE1-CD2 3.33Å; E361-R832 IonicContact OE1-CZ 3.32Å; E361-R832 IonicContact OE1-NE 3.6Å; E361-R832 PolarHBondContact OE1-NE 3.42Å; E361-R832 IonicContact OE1-NH2 2.73Å; E361-R832 PolarHBondContact OE1-NH2 3.11Å; E361-R832 IonicContact OE2-NH2 3.07Å
362	T	93.7	Very high	91.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-53.6	-38	-178.9	-52.7	0	0	0	0	112	P279 E358 A359 G364 S365 T366 I706 D724 I725	P279-T362 WeakPolarHBondContact CD-OG1 3.31Å; P279-T362 HydrophobicContact CG-CG2 3.97Å; E358-T362 PolarHBondContact O-N 3.47Å; E358-T362 PolarHBondContact O-OG1 2.98Å; A359-T362 PolarHBondContact O-N 3.21Å; T362-G364 VanDerWaalsContact C-N 3.33Å; T362-G364 PolarHBondContact O-N 2.94Å; T362-S365 CarbonylContact O-C 3.55Å; T362-S365 PolarHBondContact O-N 2.97Å; T362-T366 PolarHBondContact O-N 3.46Å; T362-T366 PolarHBondContact O-OG1 3.43Å; T362-I706 HydrophobicContact CG2-CG2 3.96Å; T362-D724 HydrophobicContact CG2-CB 3.8Å; T362-I725 HydrophobicContact CG2-CB 3.77Å; T362-I725 HydrophobicContact CG2-CG2 3.84Å
363	L	92.4	Very high	91.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-66	-35.4	178.4	-164.9	54.6	0	0	0	112.5	A359 E361 S365 T366 A708 I725 M743 I753 G756 V757	A359-L363 PolarHBondContact O-N 3.33Å; E361-L363 PolarHBondContact O-N 3.5Å; E361-L363 VanDerWaalsContact O-N 3.11Å; L363-S365 VanDerWaalsContact C-N 3.28Å; L363-S365 PolarHBondContact O-N 3Å; L363-T366 WeakPolarHBondContact CA-OG1 3.22Å; L363-T366 WeakPolarHBondContact O-CB 3.36Å; L363-T366 PolarHBondContact O-N 3.37Å; L363-T366 PolarHBondContact O-OG1 2.96Å; L363-A708 HydrophobicContact CD1-CB 4.33Å; L363-I725 HydrophobicContact CB-CD1 3.86Å; L363-I725 HydrophobicContact CD1-CD1 4.35Å; L363-I725 HydrophobicContact CD1-CG2 4.4Å; L363-I725 HydrophobicContact CG-CD1 4.48Å; L363-M743 HydrophobicContact CD2-CE 3.81Å; L363-M743 HydrophobicContact CD2-SD 3.74Å; L363-I753 HydrophobicContact CD1-CG2 4.3Å; L363-G756 VanDerWaalsContact CD2-CA 3.48Å; L363-V757 HydrophobicContact CD1-CG2 4.15Å; L363-V757 HydrophobicContact CG-CG2 3.93Å
364	G	92.5	Very high	91.3	Very high	3 Å²	3	7.8 Å²	7.8	3%	0.031	4%	0.044	C	C	.	.	H	α-helix	trans	-68.1	-29.1	174.1	0	0	0	0	0	113.7	E361 T362 V757 R761	E361-G364 WeakPolarHBondContact O-CA 3.38Å; E361-G364 PolarHBondContact O-N 3.24Å; T362-G364 VanDerWaalsContact C-N 3.33Å; T362-G364 PolarHBondContact O-N 2.94Å; G364-V757 WeakPolarHBondContact CA-O 3.32Å; G364-R761 VanDerWaalsContact O-CG 3.3Å; G364-R761 WeakPolarHBondContact O-CG 3.29Å; G364-R761 PolarHBondContact O-NE 3.43Å
365	S	94.1	Very high	91.2	Very high	4 Å²	4	6.9 Å²	6.9	3%	0.028	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-1.7	177.9	-66.9	0	0	0	0	114.1	E361 T362 L363 S367 I706 R832	E361-S365 PolarHBondContact O-N 3.25Å; E361-S365 VanDerWaalsContact O-N 3.17Å; E361-S365 PolarHBondContact OE1-OG 2.83Å; T362-S365 CarbonylContact O-C 3.55Å; T362-S365 PolarHBondContact O-N 2.97Å; L363-S365 VanDerWaalsContact C-N 3.28Å; L363-S365 PolarHBondContact O-N 3Å; S365-S367 PolarHBondContact O-N 3.22Å; S365-I706 WeakPolarHBondContact O-CB 3.44Å; S365-R832 PolarHBondContact OG-NE 3.33Å; S365-R832 PolarHBondContact OG-NH2 3.46Å
366	T	96.4	Very high	91.6	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.031	C	C	.	.			trans	-66.5	127.9	-177.8	-66.5	0	0	0	0	111	T362 L363 T368 I369 I606 A708	T362-T366 PolarHBondContact O-N 3.46Å; T362-T366 PolarHBondContact O-OG1 3.43Å; L363-T366 WeakPolarHBondContact CA-OG1 3.22Å; L363-T366 WeakPolarHBondContact O-CB 3.36Å; L363-T366 PolarHBondContact O-N 3.37Å; L363-T366 PolarHBondContact O-OG1 2.96Å; T366-T368 VanDerWaalsContact CG2-O 3.31Å; T366-T368 WeakPolarHBondContact CG2-O 3.47Å; T366-I369 HydrophobicContact CG2-CG1 3.94Å; T366-I606 HydrophobicContact CG2-CG2 4.4Å; T366-A708 HydrophobicContact CG2-CB 3.58Å
367	S	96.2	Very high	92.1	Very high	30 Å²	30	4.3 Å²	4.3	21%	0.21	3%	0.026	C	C	.	.			trans	-106.5	-19.1	175.7	60.7	0	0	0	0	112.8	S365 K607 A705 I706	S365-S367 PolarHBondContact O-N 3.22Å; S367-K607 PolarHBondContact O-N 3.09Å; S367-A705 WeakPolarHBondContact OG-CA 3.25Å; S367-A705 VanDerWaalsContact OG-CB 3.24Å; S367-A705 WeakPolarHBondContact OG-CB 3.31Å; S367-I706 PolarHBondContact N-O 2.69Å; S367-I706 PolarHBondContact OG-N 3.01Å; S367-I706 PolarHBondContact OG-O 2.57Å
368	T	97	Very high	92.4	Very high	11 Å²	11	3.8 Å²	3.8	7%	0.067	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	131.9	178.9	-56.8	0	0	0	0	111.1	T366 K607 I609 I706 V707 A708	T366-T368 VanDerWaalsContact CG2-O 3.31Å; T366-T368 WeakPolarHBondContact CG2-O 3.47Å; T368-K607 CarbonylContact C-O 3.56Å; T368-K607 VanDerWaalsContact CA-O 3.23Å; T368-K607 WeakPolarHBondContact CA-O 3.47Å; T368-K607 HydrophobicContact CG2-CB 4.38Å; T368-I609 HydrophobicContact CG2-CD1 3.78Å; T368-I609 HydrophobicContact CG2-CG1 4.19Å; T368-I706 PolarHBondContact N-O 3.47Å; T368-I706 VanDerWaalsContact N-O 3.17Å; T368-V707 WeakPolarHBondContact O-CA 3.39Å; T368-A708 PolarHBondContact O-N 2.85Å
369	I	97.3	Very high	92.4	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.9	172.6	-65.3	166.2	0	0	0	108.2	T366 C601 I606 K607 V608 I609 A708 T710 I753	T366-I369 HydrophobicContact CG2-CG1 3.94Å; I369-C601 HydrophobicContact CD1-CB 4.32Å; I369-I606 HydrophobicContact CB-CG2 4.44Å; I369-I606 HydrophobicContact CD1-CG2 3.74Å; I369-I606 HydrophobicContact CG1-CG2 3.72Å; I369-K607 PolarHBondContact N-O 3.06Å; I369-V608 CarbonylContact O-C 3.54Å; I369-V608 WeakPolarHBondContact O-CA 3.42Å; I369-I609 PolarHBondContact O-N 3.31Å; I369-A708 CarbonylContact C-O 3.58Å; I369-A708 WeakPolarHBondContact CA-O 3.43Å; I369-A708 HydrophobicContact CG1-CB 4.18Å; I369-T710 HydrophobicContact CG2-CG2 4.42Å; I369-I753 HydrophobicContact CD1-CG2 4.1Å
370	C	97.1	Very high	92.2	Very high	2 Å²	2	6.7 Å²	6.7	1%	0.014	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	112.1	169	-67	0	0	0	0	108.5	I609 V611 A708 V709 T710	C370-I609 CarbonylContact C-O 3.57Å; C370-I609 WeakPolarHBondContact CA-O 3.41Å; C370-V611 HydrophobicContact CB-CG2 4.17Å; C370-A708 PolarHBondContact N-O 3.36Å; C370-V709 HydrophobicContact CB-CG2 4.11Å; C370-V709 CarbonylContact O-C 3.49Å; C370-V709 VanDerWaalsContact O-CA 3.26Å; C370-V709 WeakPolarHBondContact O-CA 3.39Å; C370-T710 PolarHBondContact O-N 2.94Å
371	S	95.9	Very high	91.9	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.8	-176.2	-170.8	0	0	0	0	112.4	T376 L377 I609 M610 V611 T710	S371-T376 WeakPolarHBondContact OG-CG2 3.03Å; S371-L377 WeakPolarHBondContact OG-CG 3.25Å; S371-I609 PolarHBondContact N-O 2.98Å; S371-M610 WeakPolarHBondContact O-CA 3.37Å; S371-V611 PolarHBondContact O-N 3.06Å; S371-T710 WeakPolarHBondContact CA-OG1 3.23Å; S371-T710 WeakPolarHBondContact CB-OG1 3.31Å; S371-T710 PolarHBondContact OG-OG1 3.32Å
372	D	93.8	Very high	91.7	Very high	4 Å²	4	11.1 Å²	11.1	2%	0.021	6%	0.059	C	C	.	.			trans	-67	157.4	160.2	-157.9	4.8	0	0	0	110.4	T376 L377 T612 K693 T710	D372-T376 WeakPolarHBondContact O-CB 3.2Å; D372-L377 WeakPolarHBondContact O-CD1 3.48Å; D372-L377 VanDerWaalsContact O-CG 3.31Å; D372-L377 WeakPolarHBondContact O-CG 3.5Å; D372-T612 PolarHBondContact OD1-OG1 2.84Å; D372-K693 IonicContact OD1-NZ 3.66Å; D372-K693 PolarHBondContact OD1-NZ 3.1Å; D372-K693 IonicContact OD2-NZ 3.91Å; D372-K693 PolarHBondContact OD2-NZ 3.16Å; D372-T710 PolarHBondContact N-O 3.22Å
373	K	91.7	Very high	91.5	Very high	4 Å²	4	11.6 Å²	11.6	2%	0.017	6%	0.061	C	C	.	.	I	π-helix	trans	-88.3	-66.9	177.6	-179	-146.7	61.2	126.7	0	110.1	E217 G375 T376 L377 T378 M610 T612 D614 I622	E217-K373 IonicContact OE1-NZ 2.77Å; K373-G375 PolarHBondContact O-N 3.05Å; K373-T376 PolarHBondContact O-N 2.67Å; K373-L377 PolarHBondContact O-N 3.13Å; K373-T378 HydrophobicContact CG-CG2 3.94Å; K373-T378 PolarHBondContact O-N 2.9Å; K373-T378 PolarHBondContact O-OG1 3.49Å; K373-T378 VanDerWaalsContact O-OG1 3.06Å; K373-M610 HydrophobicContact CB-CE 4.41Å; K373-M610 HydrophobicContact CB-CG 4.39Å; K373-M610 HydrophobicContact CB-SD 4.12Å; K373-M610 HydrophobicContact CG-CE 4.28Å; K373-M610 HydrophobicContact CG-SD 4.29Å; K373-T612 HydrophobicContact CB-CG2 4.23Å; K373-D614 HydrophobicContact CD-CB 4.24Å; K373-D614 WeakPolarHBondContact CE-OD2 3.31Å; K373-D614 IonicContact NZ-OD2 3.95Å; K373-D614 PolarHBondContact NZ-OD2 3.49Å; K373-I622 HydrophobicContact CD-CB 4.4Å; K373-I622 HydrophobicContact CD-CG1 4.2Å; K373-I622 HydrophobicContact CD-CG2 4.5Å; K373-I622 HydrophobicContact CG-CB 4.34Å; K373-I622 HydrophobicContact CG-CG2 3.94Å
374	T	87	Confident	91.5	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.006	6%	0.062	C	C	.	.	I	π-helix	trans	-62.4	128.3	-172.3	-53.7	0	0	0	0	109.5	E217 T376 T378 N380	E217-T374 PolarHBondContact OE1-OG1 2.75Å; T374-T376 PolarHBondContact O-N 2.96Å; T374-T378 WeakPolarHBondContact CA-OG1 3.44Å; T374-N380 HydrophobicContact CG2-CB 4.24Å
375	G	85.1	Confident	91.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	68.7	-14.1	177.7	0	0	0	0	0	116.9	K373 T378 R591 D712	K373-G375 PolarHBondContact O-N 3.05Å; G375-T378 CarbonylContact C-O 3.53Å; G375-T378 WeakPolarHBondContact CA-O 3.49Å; G375-T378 PolarHBondContact N-OG1 2.7Å; G375-R591 PolarHBondContact O-NH2 3.36Å; G375-D712 WeakPolarHBondContact CA-OD2 3.16Å
376	T	90.9	Very high	91.3	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-100.3	-68.1	177.2	-59.2	0	0	0	0	111	S371 D372 K373 T374 R591 G711 D712 M729 F750	S371-T376 WeakPolarHBondContact OG-CG2 3.03Å; D372-T376 WeakPolarHBondContact O-CB 3.2Å; K373-T376 PolarHBondContact O-N 2.67Å; T374-T376 PolarHBondContact O-N 2.96Å; T376-R591 WeakPolarHBondContact O-CD 3.08Å; T376-R591 PolarHBondContact O-NE 2.85Å; T376-G711 WeakPolarHBondContact OG1-CA 3.14Å; T376-D712 PolarHBondContact OG1-N 2.76Å; T376-M729 HydrophobicContact CG2-SD 4.43Å; T376-F750 HydrophobicContact CG2-CD2 4.44Å; T376-F750 HydrophobicContact CG2-CE2 4.39Å
377	L	92.5	Very high	91.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-79.8	-35.3	174.7	-65.4	171.1	0	0	0	111.3	S371 D372 K373 P590 R591 V594 M610 I628 F750	S371-L377 WeakPolarHBondContact OG-CG 3.25Å; D372-L377 WeakPolarHBondContact O-CD1 3.48Å; D372-L377 VanDerWaalsContact O-CG 3.31Å; D372-L377 WeakPolarHBondContact O-CG 3.5Å; K373-L377 PolarHBondContact O-N 3.13Å; L377-P590 WeakPolarHBondContact O-CA 3Å; L377-R591 PolarHBondContact O-N 2.79Å; L377-V594 HydrophobicContact CB-CG1 4.26Å; L377-V594 HydrophobicContact CD2-CG1 3.58Å; L377-M610 HydrophobicContact CD1-CE 3.73Å; L377-I628 HydrophobicContact CD1-CD1 3.88Å; L377-F750 HydrophobicContact CD2-CD2 4.1Å; L377-F750 HydrophobicContact CD2-CE2 3.74Å; L377-F750 HydrophobicContact CD2-CZ 3.97Å
378	T	90.7	Very high	91	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	B	Isolated β-bridge	trans	-99.1	169.8	177.7	65.4	0	0	0	0	111.5	K373 T374 G375 N380 D588 P589 R591 I622	K373-T378 HydrophobicContact CG-CG2 3.94Å; K373-T378 PolarHBondContact O-N 2.9Å; K373-T378 PolarHBondContact O-OG1 3.49Å; K373-T378 VanDerWaalsContact O-OG1 3.06Å; T374-T378 WeakPolarHBondContact CA-OG1 3.44Å; G375-T378 CarbonylContact C-O 3.53Å; G375-T378 WeakPolarHBondContact CA-O 3.49Å; G375-T378 PolarHBondContact N-OG1 2.7Å; T378-N380 VanDerWaalsContact C-N 3.29Å; T378-D588 VanDerWaalsContact CB-CG 3.44Å; T378-D588 WeakPolarHBondContact CB-OD2 3.37Å; T378-D588 WeakPolarHBondContact CG2-O 3.29Å; T378-D588 VanDerWaalsContact OG1-CG 3.31Å; T378-D588 PolarHBondContact OG1-OD2 3.18Å; T378-P589 VanDerWaalsContact CA-O 3.28Å; T378-P589 WeakPolarHBondContact CA-O 3.46Å; T378-P589 WeakPolarHBondContact CB-O 3.31Å; T378-R591 PolarHBondContact O-NE 3.38Å; T378-R591 VanDerWaalsContact O-NE 3.1Å; T378-I622 HydrophobicContact CG2-CD1 4.19Å; T378-I622 HydrophobicContact CG2-CG1 4.37Å; T378-I622 HydrophobicContact CG2-CG2 3.86Å
379	Q	85.4	Confident	90.8	Very high	22 Å²	22	11.6 Å²	11.6	10%	0.103	6%	0.057	C	C	.	.			trans	-82.1	-6.4	-176.5	-62.2	172.4	20	0	0	113.2	R381 T398 D588 P589 P590 R591	Q379-R381 HydrophobicContact CB-CB 4.36Å; Q379-R381 PolarHBondContact O-N 3.03Å; Q379-T398 PolarHBondContact NE2-O 3.4Å; Q379-D588 PolarHBondContact N-OD1 3.47Å; Q379-P589 PolarHBondContact N-O 3.29Å; Q379-P590 PolarHBondContact NE2-O 2.82Å; Q379-R591 HydrophobicContact CG-CB 4.46Å; Q379-R591 HydrophobicContact CG-CG 3.82Å
380	N	83.6	Confident	90.5	Very high	60 Å²	60	12.5 Å²	12.5	32%	0.321	6%	0.062	S	C	.	.	S	Bend	trans	52.5	42.9	-168.7	-164.9	5.2	0	0	0	111.6	S218 T374 T378 D588	S218-N380 PolarHBondContact OG-OD1 2.94Å; T374-N380 HydrophobicContact CG2-CB 4.24Å; T378-N380 VanDerWaalsContact C-N 3.29Å; N380-D588 WeakPolarHBondContact CA-OD1 3.13Å; N380-D588 WeakPolarHBondContact CA-OD2 3.32Å; N380-D588 PolarHBondContact N-OD1 3.41Å; N380-D588 PolarHBondContact N-OD2 3.29Å
381	R	84.2	Confident	90.1	Very high	37 Å²	37	16 Å²	16	14%	0.14	8%	0.08	C	C	.	.			trans	-145.9	109.4	-177.7	-177	-179.7	68.2	-151.7	-2.8	110.3	Q379 T383 D400 L439 D588 P589	Q379-R381 HydrophobicContact CB-CB 4.36Å; Q379-R381 PolarHBondContact O-N 3.03Å; R381-T383 PolarHBondContact O-N 2.99Å; R381-T383 PolarHBondContact O-OG1 3.37Å; R381-D400 IonicContact CZ-OD1 2.74Å; R381-D400 IonicContact NH1-OD1 3.14Å; R381-D400 PolarHBondContact NH1-OD1 3.1Å; R381-D400 IonicContact NH2-OD1 2.97Å; R381-D400 PolarHBondContact NH2-OD1 2.9Å; R381-L439 WeakPolarHBondContact CD-O 3.41Å; R381-L439 VanDerWaalsContact NH1-C 3.34Å; R381-L439 PolarHBondContact NH1-O 2.88Å; R381-D588 PolarHBondContact N-OD1 2.97Å; R381-P589 WeakPolarHBondContact O-CD 3.36Å
382	M	88.5	Confident	89.8	Confident	55 Å²	55	22.6 Å²	22.6	27%	0.271	11%	0.109	S	C	.	.			trans	-56.3	123.2	171.7	-161.5	64.2	63.9	0	0	110.1	A447 A451 M586 I587	M382-A447 HydrophobicContact CB-CB 4.06Å; M382-A451 HydrophobicContact CB-CB 4.25Å; M382-A451 HydrophobicContact CG-CB 4.13Å; M382-A451 WeakPolarHBondContact O-CB 3.41Å; M382-M586 HydrophobicContact CG-CB 3.92Å; M382-M586 HydrophobicContact CG-CG 3.73Å; M382-M586 HydrophobicContact CG-SD 3.71Å; M382-M586 HydrophobicContact SD-CB 3.96Å; M382-M586 HydrophobicContact SD-CG 3.7Å; M382-M586 HydrophobicContact SD-SD 4.37Å; M382-I587 VanDerWaalsContact SD-C 3.58Å
383	T	89.9	Confident	89.7	Confident	10 Å²	10	24.8 Å²	24.8	6%	0.061	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	142.1	-174	-54.2	0	0	0	0	108.6	R381 A385 T398 M586 I587	R381-T383 PolarHBondContact O-N 2.99Å; R381-T383 PolarHBondContact O-OG1 3.37Å; T383-A385 PolarHBondContact O-N 3.29Å; T383-T398 HydrophobicContact CG2-CG2 4.46Å; T383-M586 CarbonylContact O-C 3.56Å; T383-M586 WeakPolarHBondContact O-CA 3.5Å; T383-M586 WeakPolarHBondContact O-CB 3.33Å; T383-I587 PolarHBondContact N-O 3.11Å; T383-I587 PolarHBondContact O-N 2.97Å; T383-I587 VanDerWaalsContact O-O 3.13Å
384	I	91.6	Very high	89.6	Confident	4 Å²	4	26.7 Å²	26.7	2%	0.021	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	127.1	176.7	-58.5	-68.9	0	0	0	108.4	M387 A396 L452 C455 M584 S585 M586	I384-M387 HydrophobicContact CG2-CE 3.94Å; I384-M387 HydrophobicContact CG2-CG 4.12Å; I384-A396 HydrophobicContact CG2-CB 4.09Å; I384-A396 VanDerWaalsContact O-CB 3.32Å; I384-A396 WeakPolarHBondContact O-CB 3.49Å; I384-L452 HydrophobicContact CD1-CD2 3.53Å; I384-L452 HydrophobicContact CD1-CG 4.15Å; I384-L452 HydrophobicContact CG1-CD2 4.39Å; I384-C455 HydrophobicContact CB-CB 4.06Å; I384-C455 HydrophobicContact CG1-CB 3.59Å; I384-M584 HydrophobicContact CD1-CB 4.1Å; I384-M584 HydrophobicContact CD1-SD 4.25Å; I384-M584 HydrophobicContact CG2-CB 4.37Å; I384-S585 CarbonylContact C-O 3.57Å; I384-S585 WeakPolarHBondContact CA-O 3.4Å; I384-M586 HydrophobicContact CD1-CB 4.12Å; I384-M586 HydrophobicContact CD1-CE 3.84Å
385	A	90	Very high	89.6	Confident	5 Å²	5	30.6 Å²	30.6	4%	0.041	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	-45.8	-173.8	0	0	0	0	0	112.1	T383 A396 T398 E545 S585 I587	T383-A385 PolarHBondContact O-N 3.29Å; A385-A396 WeakPolarHBondContact O-CA 3.39Å; A385-A396 VanDerWaalsContact O-CB 3.27Å; A385-A396 WeakPolarHBondContact O-CB 3.38Å; A385-A396 PolarHBondContact O-N 3.38Å; A385-T398 HydrophobicContact CB-CG2 4.14Å; A385-E545 WeakPolarHBondContact CB-OE1 3.47Å; A385-S585 PolarHBondContact N-O 3.22Å; A385-I587 HydrophobicContact CB-CG2 3.77Å
386	H	92.2	Very high	89.6	Confident	29 Å²	29	31.2 Å²	31.2	13%	0.134	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	159.5	174.1	-53.1	86.3	0	0	0	112	I393 F394 D395 L540 E545 S585	H386-I393 HydrophobicContact CB-CG2 3.93Å; H386-F394 CarbonylContact C-O 3.58Å; H386-F394 VanDerWaalsContact CA-O 3.24Å; H386-F394 WeakPolarHBondContact CA-O 3.21Å; H386-D395 IonicContact CD2-OD1 3.01Å; H386-D395 PolarHBondContact CD2-OD1 3.12Å; H386-D395 IonicContact NE2-OD1 2.74Å; H386-D395 PolarHBondContact NE2-OD1 3.14Å; H386-L540 HydrophobicContact CB-CD2 3.55Å; H386-E545 IonicContact CE1-OE1 2.76Å; H386-E545 PolarHBondContact CE1-OE1 3Å; H386-E545 IonicContact CE1-OE2 2.7Å; H386-E545 IonicContact CG-OE2 3.33Å; H386-E545 IonicContact ND1-OE1 2.73Å; H386-E545 PolarHBondContact ND1-OE1 3.44Å; H386-E545 IonicContact ND1-OE2 3.81Å; H386-E545 PolarHBondContact ND1-OE2 3.42Å; H386-S585 WeakPolarHBondContact CA-OG 2.98Å; H386-S585 VanDerWaalsContact CB-OG 3.3Å; H386-S585 WeakPolarHBondContact CB-OG 3.24Å; H386-S585 PolarHBondContact N-OG 3.18Å; H386-S585 VanDerWaalsContact N-OG 3.12Å; H386-S585 PolarHBondContact O-N 2.83Å; H386-S585 PolarHBondContact O-OG 2.75Å
387	M	92.4	Very high	89.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.5	177.3	-51.2	175.4	-157.9	0	0	108.7	I384 F389 I393 F394 A396 Y407 W414 L583 M584	I384-M387 HydrophobicContact CG2-CE 3.94Å; I384-M387 HydrophobicContact CG2-CG 4.12Å; M387-F389 HydrophobicContact CB-CD1 4.11Å; M387-F389 HydrophobicContact CB-CE1 4.09Å; M387-I393 CarbonylContact O-C 3.59Å; M387-I393 WeakPolarHBondContact O-CA 3.36Å; M387-F394 PolarHBondContact N-O 3.13Å; M387-F394 PolarHBondContact O-N 3.23Å; M387-A396 HydrophobicContact CE-CB 3.53Å; M387-Y407 HydrophobicContact CE-CD1 4.41Å; M387-Y407 HydrophobicContact CE-CE1 3.6Å; M387-Y407 HydrophobicContact SD-CE1 4.21Å; M387-W414 HydrophobicContact CE-CH2 3.82Å; M387-W414 HydrophobicContact CE-CZ3 4.12Å; M387-W414 HydrophobicContact CG-CZ3 4.43Å; M387-W414 HydrophobicContact SD-CE3 3.83Å; M387-W414 HydrophobicContact SD-CH2 3.43Å; M387-W414 WeakPolarHBondContact SD-CH2 3.45Å; M387-W414 HydrophobicContact SD-CZ2 4.39Å; M387-W414 HydrophobicContact SD-CZ3 3.09Å; M387-W414 WeakPolarHBondContact SD-CZ3 3.43Å; M387-L583 CarbonylContact C-O 3.53Å; M387-L583 WeakPolarHBondContact CA-O 3.38Å; M387-M584 HydrophobicContact CG-CG 4.43Å
388	W	94.1	Very high	88.5	Confident	7 Å²	7	33.7 Å²	33.7	3%	0.027	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	113.6	174.9	-175.9	82.1	0	0	0	109.9	N391 K392 I516 F533 A536 F580 G582 L583	W388-N391 WeakPolarHBondContact CZ2-OD1 3.38Å; W388-K392 WeakPolarHBondContact CA-O 3.43Å; W388-I516 HydrophobicContact CH2-CD1 3.91Å; W388-I516 HydrophobicContact CZ3-CD1 4.05Å; W388-F533 HydrophobicContact CE3-CD2 4.44Å; W388-F533 HydrophobicContact CH2-CB 4.03Å; W388-F533 HydrophobicContact CH2-CD2 4.27Å; W388-F533 HydrophobicContact CZ3-CB 4.48Å; W388-F533 AromaticContact CZ3-CD2 3.87Å; W388-F533 HydrophobicContact CZ3-CD2 3.87Å; W388-A536 HydrophobicContact CD2-CB 4.33Å; W388-A536 HydrophobicContact CG-CB 4.02Å; W388-F580 AromaticContact CE3-CE1 3.91Å; W388-F580 HydrophobicContact CE3-CE1 3.91Å; W388-F580 HydrophobicContact CZ3-CD1 4.14Å; W388-F580 AromaticContact CZ3-CE1 3.49Å; W388-F580 HydrophobicContact CZ3-CE1 3.49Å; W388-F580 VanDerWaalsContact CZ3-CE1 3.49Å; W388-F580 HydrophobicContact CZ3-CZ 4.3Å; W388-G582 CarbonylContact O-C 3.5Å; W388-G582 WeakPolarHBondContact O-CA 3.2Å; W388-L583 HydrophobicContact CB-CB 3.89Å; W388-L583 HydrophobicContact CB-CD1 4.14Å; W388-L583 HydrophobicContact CB-CG 4.32Å; W388-L583 HydrophobicContact CD2-CD1 4.29Å; W388-L583 HydrophobicContact CE3-CD1 4.07Å; W388-L583 HydrophobicContact CE3-CG 4.09Å; W388-L583 HydrophobicContact CG-CD1 4.36Å; W388-L583 PolarHBondContact N-O 3.32Å; W388-L583 PolarHBondContact O-N 3.41Å
389	F	92.3	Very high	87.7	Confident	3 Å²	3	35.1 Å²	35.1	1%	0.013	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	161.8	172.7	62.1	-90.4	0	0	0	109.1	M387 N391 K392 F394 T413 W414 L417	M387-F389 HydrophobicContact CB-CD1 4.11Å; M387-F389 HydrophobicContact CB-CE1 4.09Å; F389-N391 PolarHBondContact O-N 3.27Å; F389-K392 PolarHBondContact N-O 3.24Å; F389-K392 PolarHBondContact O-N 3.03Å; F389-K392 VanDerWaalsContact O-O 3.09Å; F389-F394 AromaticContact CD1-CD2 3.82Å; F389-F394 HydrophobicContact CD1-CD2 3.82Å; F389-F394 HydrophobicContact CD1-CE2 4.11Å; F389-F394 HydrophobicContact CD2-CD2 4.37Å; F389-F394 AromaticContact CD2-CE2 3.83Å; F389-F394 HydrophobicContact CD2-CE2 3.83Å; F389-F394 HydrophobicContact CE1-CB 4.46Å; F389-F394 AromaticContact CE1-CD2 3.35Å; F389-F394 HydrophobicContact CE1-CD2 3.35Å; F389-F394 AromaticContact CE1-CE2 3.76Å; F389-F394 HydrophobicContact CE1-CE2 3.76Å; F389-F394 HydrophobicContact CE1-CG 4.08Å; F389-F394 AromaticContact CE2-CD2 3.96Å; F389-F394 HydrophobicContact CE2-CD2 3.96Å; F389-F394 AromaticContact CE2-CE2 3.44Å; F389-F394 HydrophobicContact CE2-CE2 3.44Å; F389-F394 VanDerWaalsContact CE2-CE2 3.44Å; F389-F394 HydrophobicContact CE2-CZ 4.01Å; F389-F394 HydrophobicContact CG-CD2 4.3Å; F389-F394 HydrophobicContact CG-CE2 4.14Å; F389-F394 AromaticContact CZ-CD2 3.43Å; F389-F394 HydrophobicContact CZ-CD2 3.43Å; F389-F394 VanDerWaalsContact CZ-CD2 3.43Å; F389-F394 AromaticContact CZ-CE2 3.4Å; F389-F394 HydrophobicContact CZ-CE2 3.4Å; F389-F394 VanDerWaalsContact CZ-CE2 3.4Å; F389-F394 HydrophobicContact CZ-CG 4.1Å; F389-F394 HydrophobicContact CZ-CZ 4.06Å; F389-T413 HydrophobicContact CB-CG2 3.83Å; F389-T413 HydrophobicContact CD2-CG2 4.21Å; F389-T413 HydrophobicContact CG-CG2 4.41Å; F389-W414 HydrophobicContact CE1-CE3 4.18Å; F389-W414 HydrophobicContact CE2-CB 4.18Å; F389-W414 HydrophobicContact CZ-CB 4.08Å; F389-L417 HydrophobicContact CB-CD2 4.43Å; F389-L417 HydrophobicContact CD1-CD2 4.06Å
390	D	91.5	Very high	86.8	Confident	20 Å²	20	37.4 Å²	37.4	11%	0.107	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	31.6	-175.7	-58.7	-29.6	0	0	0	113.5	K392 S411 T413 N519	D390-K392 VanDerWaalsContact C-N 3.26Å; D390-K392 PolarHBondContact O-N 3.4Å; D390-S411 PolarHBondContact OD2-OG 3.04Å; D390-T413 VanDerWaalsContact OD1-CB 3.23Å; D390-T413 WeakPolarHBondContact OD1-CB 3.49Å; D390-T413 WeakPolarHBondContact OD1-CG2 3.48Å; D390-T413 PolarHBondContact OD1-OG1 3.48Å; D390-T413 PolarHBondContact OD2-OG1 3.05Å; D390-N519 PolarHBondContact OD1-N 3.5Å
391	N	88.4	Confident	85.8	Confident	76 Å²	76	39.8 Å²	39.8	41%	0.406	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	31	-176	-158	30.6	0	0	0	114.7	W388 F389 N532	W388-N391 WeakPolarHBondContact CZ2-OD1 3.38Å; F389-N391 PolarHBondContact O-N 3.27Å; N391-N532 PolarHBondContact ND2-ND2 2.73Å; N391-N532 VanDerWaalsContact OD1-CB 3.27Å; N391-N532 WeakPolarHBondContact OD1-CB 3.32Å
392	K	91	Very high	84.8	Confident	137 Å²	137	41.2 Å²	41.2	60%	0.596	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.7	145.1	178	-68	-178.8	-179.4	178.8	0	110.9	W388 F389 D390 F394	W388-K392 WeakPolarHBondContact CA-O 3.43Å; F389-K392 PolarHBondContact N-O 3.24Å; F389-K392 PolarHBondContact O-N 3.03Å; F389-K392 VanDerWaalsContact O-O 3.09Å; D390-K392 VanDerWaalsContact C-N 3.26Å; D390-K392 PolarHBondContact O-N 3.4Å; K392-F394 HydrophobicContact CB-CD2 4.43Å; K392-F394 HydrophobicContact CB-CE2 3.83Å; K392-F394 HydrophobicContact CB-CZ 4.02Å; K392-F394 HydrophobicContact CD-CZ 4.35Å
393	I	90.9	Very high	83.4	Confident	51 Å²	51	42.6 Å²	42.6	26%	0.262	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131.8	168.9	-59.1	175.9	0	0	0	107.7	H386 M387 A536 E539 L540	H386-I393 HydrophobicContact CB-CG2 3.93Å; M387-I393 CarbonylContact O-C 3.59Å; M387-I393 WeakPolarHBondContact O-CA 3.36Å; I393-A536 HydrophobicContact CD1-CB 4.37Å; I393-A536 HydrophobicContact CG1-CB 4.49Å; I393-E539 HydrophobicContact CD1-CG 4.2Å; I393-E539 WeakPolarHBondContact CD1-OE2 3.45Å; I393-L540 HydrophobicContact CD1-CD2 4.35Å; I393-L540 HydrophobicContact CD1-CG 4.47Å; I393-L540 HydrophobicContact CG2-CD2 4.11Å
394	F	90.1	Very high	82.2	Confident	43 Å²	43	46.5 Å²	46.5	19%	0.189	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.5	176.2	-66.5	-82.7	0	0	0	110.2	H386 M387 F389 K392	H386-F394 CarbonylContact C-O 3.58Å; H386-F394 VanDerWaalsContact CA-O 3.24Å; H386-F394 WeakPolarHBondContact CA-O 3.21Å; M387-F394 PolarHBondContact N-O 3.13Å; M387-F394 PolarHBondContact O-N 3.23Å; F389-F394 AromaticContact CD1-CD2 3.82Å; F389-F394 HydrophobicContact CD1-CD2 3.82Å; F389-F394 HydrophobicContact CD1-CE2 4.11Å; F389-F394 HydrophobicContact CD2-CD2 4.37Å; F389-F394 AromaticContact CD2-CE2 3.83Å; F389-F394 HydrophobicContact CD2-CE2 3.83Å; F389-F394 HydrophobicContact CE1-CB 4.46Å; F389-F394 AromaticContact CE1-CD2 3.35Å; F389-F394 HydrophobicContact CE1-CD2 3.35Å; F389-F394 AromaticContact CE1-CE2 3.76Å; F389-F394 HydrophobicContact CE1-CE2 3.76Å; F389-F394 HydrophobicContact CE1-CG 4.08Å; F389-F394 AromaticContact CE2-CD2 3.96Å; F389-F394 HydrophobicContact CE2-CD2 3.96Å; F389-F394 AromaticContact CE2-CE2 3.44Å; F389-F394 HydrophobicContact CE2-CE2 3.44Å; F389-F394 VanDerWaalsContact CE2-CE2 3.44Å; F389-F394 HydrophobicContact CE2-CZ 4.01Å; F389-F394 HydrophobicContact CG-CD2 4.3Å; F389-F394 HydrophobicContact CG-CE2 4.14Å; F389-F394 AromaticContact CZ-CD2 3.43Å; F389-F394 HydrophobicContact CZ-CD2 3.43Å; F389-F394 VanDerWaalsContact CZ-CD2 3.43Å; F389-F394 AromaticContact CZ-CE2 3.4Å; F389-F394 HydrophobicContact CZ-CE2 3.4Å; F389-F394 VanDerWaalsContact CZ-CE2 3.4Å; F389-F394 HydrophobicContact CZ-CG 4.1Å; F389-F394 HydrophobicContact CZ-CZ 4.06Å; K392-F394 HydrophobicContact CB-CD2 4.43Å; K392-F394 HydrophobicContact CB-CE2 3.83Å; K392-F394 HydrophobicContact CB-CZ 4.02Å; K392-F394 HydrophobicContact CD-CZ 4.35Å
395	D	86.9	Confident	80.9	Confident	83 Å²	83	48.3 Å²	48.3	44%	0.444	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	122.1	176.7	-51.8	-34.6	0	0	0	109.8	H386 T406	H386-D395 IonicContact CD2-OD1 3.01Å; H386-D395 PolarHBondContact CD2-OD1 3.12Å; H386-D395 IonicContact NE2-OD1 2.74Å; H386-D395 PolarHBondContact NE2-OD1 3.14Å; D395-T406 PolarHBondContact O-OG1 2.87Å
396	A	83.9	Confident	79.7	Confident	13 Å²	13	52.1 Å²	52.1	11%	0.107	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-81.4	150.4	168.2	0	0	0	0	0	109.6	I384 A385 M387 T398	I384-A396 HydrophobicContact CG2-CB 4.09Å; I384-A396 VanDerWaalsContact O-CB 3.32Å; I384-A396 WeakPolarHBondContact O-CB 3.49Å; A385-A396 WeakPolarHBondContact O-CA 3.39Å; A385-A396 VanDerWaalsContact O-CB 3.27Å; A385-A396 WeakPolarHBondContact O-CB 3.38Å; A385-A396 PolarHBondContact O-N 3.38Å; M387-A396 HydrophobicContact CE-CB 3.53Å; A396-T398 PolarHBondContact O-N 2.86Å
397	D	81.2	Confident	78.8	Confident	12 Å²	12	51.9 Å²	51.9	6%	0.064	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-77.9	116.4	175.3	-163.7	-21.4	0	0	0	111.1	T399 Q402 S403 V404 A405	D397-T399 WeakPolarHBondContact OD1-CB 3.43Å; D397-T399 PolarHBondContact OD1-N 3.12Å; D397-T399 PolarHBondContact OD1-OG1 3.43Å; D397-Q402 PolarHBondContact O-NE2 3.29Å; D397-Q402 WeakPolarHBondContact OD2-CA 3.45Å; D397-S403 PolarHBondContact OD2-N 3.3Å; D397-V404 PolarHBondContact OD2-N 3.17Å; D397-A405 HydrophobicContact CB-CB 4.07Å
398	T	80.8	Confident	77.8	Confident	40 Å²	40	56.3 Å²	56.3	25%	0.245	31%	0.311	C	S	.	.			trans	-99.7	-2.3	179.5	57.3	0	0	0	0	113.1	Q379 T383 A385 A396 P589	Q379-T398 PolarHBondContact NE2-O 3.4Å; T383-T398 HydrophobicContact CG2-CG2 4.46Å; A385-T398 HydrophobicContact CB-CG2 4.14Å; A396-T398 PolarHBondContact O-N 2.86Å; T398-P589 HydrophobicContact CG2-CB 4.19Å
399	T	71.9	Confident	77	Confident	31 Å²	31	60.6 Å²	60.6	19%	0.19	33%	0.33	C	S	.	.	S	Bend	trans	-76.7	155.5	178.5	77.7	0	0	0	0	111.3	D397 D401 Q402 L439	D397-T399 WeakPolarHBondContact OD1-CB 3.43Å; D397-T399 PolarHBondContact OD1-N 3.12Å; D397-T399 PolarHBondContact OD1-OG1 3.43Å; T399-D401 WeakPolarHBondContact CB-OD1 3.36Å; T399-D401 PolarHBondContact O-N 2.89Å; T399-D401 PolarHBondContact OG1-OD1 3.4Å; T399-Q402 PolarHBondContact O-NE2 3.45Å; T399-Q402 PolarHBondContact OG1-N 2.87Å; T399-L439 WeakPolarHBondContact O-CD1 3.42Å
400	D	67.3	Low	76.5	Confident	69 Å²	69	66.4 Å²	66.4	37%	0.369	36%	0.361	S	S	.	.	S	Bend	trans	-66.9	-24.1	178.3	-86.7	-28.2	0	0	0	112.9	R381	R381-D400 IonicContact CZ-OD1 2.74Å; R381-D400 IonicContact NH1-OD1 3.14Å; R381-D400 PolarHBondContact NH1-OD1 3.1Å; R381-D400 IonicContact NH2-OD1 2.97Å; R381-D400 PolarHBondContact NH2-OD1 2.9Å
401	D	63.3	Low	76.3	Confident	111 Å²	111	66 Å²	66	59%	0.594	36%	0.36	S	S	*	.	S	Bend	trans	-99.1	-10	-175.7	66.5	-43.6	0	0	0	114.7	T399 S403	T399-D401 WeakPolarHBondContact CB-OD1 3.36Å; T399-D401 PolarHBondContact O-N 2.89Å; T399-D401 PolarHBondContact OG1-OD1 3.4Å; D401-S403 WeakPolarHBondContact OD2-CB 3.11Å; D401-S403 PolarHBondContact OD2-OG 3.11Å
402	Q	63.5	Low	76.3	Confident	66 Å²	66	65.7 Å²	65.7	31%	0.308	36%	0.362	S	S	.	.			trans	59.6	42.7	173.9	-63.7	-74	-63.3	0	0	114.8	D397 T399 L439 L458	D397-Q402 PolarHBondContact O-NE2 3.29Å; D397-Q402 WeakPolarHBondContact OD2-CA 3.45Å; T399-Q402 PolarHBondContact O-NE2 3.45Å; T399-Q402 PolarHBondContact OG1-N 2.87Å; Q402-L439 HydrophobicContact CG-CD1 4.18Å; Q402-L458 HydrophobicContact CG-CD1 4.21Å; Q402-L458 HydrophobicContact CG-CD2 4.17Å
403	S	58.8	Low	76.4	Confident	84 Å²	84	59.1 Å²	59.1	59%	0.587	33%	0.333	S	S	*	.			trans	-90.9	-6.3	-174.6	49.8	0	0	0	0	116.9	D397 D401	D397-S403 PolarHBondContact OD2-N 3.3Å; D401-S403 WeakPolarHBondContact OD2-CB 3.11Å; D401-S403 PolarHBondContact OD2-OG 3.11Å
404	V	64.5	Low	76.4	Confident	92 Å²	92	56.7 Å²	56.7	56%	0.558	32%	0.321	S	S	*	.			trans	-124.1	-8.5	-159.8	-168.5	0	0	0	0	115.5	D397 T406	D397-V404 PolarHBondContact OD2-N 3.17Å; V404-T406 WeakPolarHBondContact O-CG2 3.46Å; V404-T406 PolarHBondContact O-N 2.66Å
405	A	63.8	Low	76.4	Confident	42 Å²	42	58.4 Å²	58.4	35%	0.347	33%	0.331	S	S	.	.			trans	-49.2	126.4	-172.5	0	0	0	0	0	114.8	D397 Y407	D397-A405 HydrophobicContact CB-CB 4.07Å; A405-Y407 HydrophobicContact CB-CE1 4.22Å
406	T	66	Low	76.7	Confident	86 Å²	86	54.8 Å²	54.8	53%	0.528	31%	0.313	S	S	.	.			trans	-102	-1.6	-169.1	55.5	0	0	0	0	115.6	D395 V404	D395-T406 PolarHBondContact O-OG1 2.87Å; V404-T406 WeakPolarHBondContact O-CG2 3.46Å; V404-T406 PolarHBondContact O-N 2.66Å
407	Y	71.6	Confident	77.2	Confident	23 Å²	23	54.1 Å²	54.1	9%	0.09	31%	0.307	C	S	.	.	S	Bend	trans	-101.5	150.3	-174.5	62	-87.9	0	0	0	114.2	M387 A405 K409 W414 S459	M387-Y407 HydrophobicContact CE-CD1 4.41Å; M387-Y407 HydrophobicContact CE-CE1 3.6Å; M387-Y407 HydrophobicContact SD-CE1 4.21Å; A405-Y407 HydrophobicContact CB-CE1 4.22Å; Y407-K409 HydrophobicContact CD2-CG 4.44Å; Y407-K409 HydrophobicContact CE2-CG 4.06Å; Y407-K409 PolarHBondContact O-N 2.87Å; Y407-W414 HydrophobicContact CD2-CD2 4.37Å; Y407-W414 HydrophobicContact CE2-CD2 4.03Å; Y407-W414 AromaticContact CE2-CE2 3.61Å; Y407-W414 HydrophobicContact CE2-CG 4.47Å; Y407-W414 HydrophobicContact CE2-CH2 4.39Å; Y407-W414 AromaticContact CE2-CZ2 3.8Å; Y407-W414 HydrophobicContact CE2-CZ2 3.8Å; Y407-W414 AromaticContact CE2-NE1 3.82Å; Y407-S459 PolarHBondContact OH-OG 3.5Å
408	D	72.9	Confident	77.7	Confident	93 Å²	93	53.6 Å²	53.6	50%	0.497	30%	0.304	S	S	.	.			trans	-75.1	106.8	175.4	-176.8	9.6	0	0	0	110.8	N410 S411	D408-N410 PolarHBondContact O-N 2.58Å; D408-N410 VanDerWaalsContact O-N 3.07Å; D408-N410 WeakPolarHBondContact OD1-CB 3.16Å; D408-N410 PolarHBondContact OD1-N 3.35Å; D408-N410 PolarHBondContact OD1-ND2 2.88Å; D408-S411 PolarHBondContact O-N 2.85Å; D408-S411 VanDerWaalsContact O-N 3.11Å
409	K	77	Confident	78.3	Confident	97 Å²	97	52.7 Å²	52.7	42%	0.422	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-13.5	176.6	-64.3	-175.9	179.3	-176.7	0	113.4	Y407	Y407-K409 HydrophobicContact CD2-CG 4.44Å; Y407-K409 HydrophobicContact CE2-CG 4.06Å; Y407-K409 PolarHBondContact O-N 2.87Å
410	N	81.4	Confident	79.4	Confident	126 Å²	126	51.2 Å²	51.2	67%	0.674	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-1.5	179.1	-53.6	-61.2	0	0	0	113.6	D408	D408-N410 PolarHBondContact O-N 2.58Å; D408-N410 VanDerWaalsContact O-N 3.07Å; D408-N410 WeakPolarHBondContact OD1-CB 3.16Å; D408-N410 PolarHBondContact OD1-N 3.35Å; D408-N410 PolarHBondContact OD1-ND2 2.88Å
411	S	86.5	Confident	80.6	Confident	11 Å²	11	47.9 Å²	47.9	8%	0.077	27%	0.27	C	S	.	.			trans	-58.5	129	176.4	171.2	0	0	0	0	109.7	D390 D408 T413 W414 I415	D390-S411 PolarHBondContact OD2-OG 3.04Å; D408-S411 PolarHBondContact O-N 2.85Å; D408-S411 VanDerWaalsContact O-N 3.11Å; S411-T413 PolarHBondContact O-N 3.36Å; S411-T413 PolarHBondContact OG-N 3.1Å; S411-W414 WeakPolarHBondContact O-CB 3.31Å; S411-W414 PolarHBondContact O-N 3.28Å; S411-W414 VanDerWaalsContact O-N 3.08Å; S411-I415 WeakPolarHBondContact O-CG1 3.34Å; S411-I415 PolarHBondContact O-N 2.84Å
412	P	90	Very high	82	Confident	69 Å²	69	43 Å²	43	45%	0.448	24%	0.243	S	C	.	.	H	α-helix	trans	-60.1	-30.8	177.7	24.6	-33.7	0	0	0	111.9	A416	P412-A416 PolarHBondContact O-N 3.47Å; P412-A416 VanDerWaalsContact O-N 3.1Å
413	T	92.1	Very high	83.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68.9	-42.1	175.9	-47.1	0	0	0	0	111	F389 D390 S411 A416 L417 L517 N519 G520 V581	F389-T413 HydrophobicContact CB-CG2 3.83Å; F389-T413 HydrophobicContact CD2-CG2 4.21Å; F389-T413 HydrophobicContact CG-CG2 4.41Å; D390-T413 VanDerWaalsContact OD1-CB 3.23Å; D390-T413 WeakPolarHBondContact OD1-CB 3.49Å; D390-T413 WeakPolarHBondContact OD1-CG2 3.48Å; D390-T413 PolarHBondContact OD1-OG1 3.48Å; D390-T413 PolarHBondContact OD2-OG1 3.05Å; S411-T413 PolarHBondContact O-N 3.36Å; S411-T413 PolarHBondContact OG-N 3.1Å; T413-A416 PolarHBondContact O-N 3.2Å; T413-L417 WeakPolarHBondContact O-CB 3.36Å; T413-L417 PolarHBondContact O-N 2.94Å; T413-L517 HydrophobicContact CG2-CB 4.32Å; T413-L517 HydrophobicContact CG2-CD2 4.07Å; T413-L517 HydrophobicContact CG2-CG 4.13Å; T413-N519 PolarHBondContact OG1-N 3.4Å; T413-G520 PolarHBondContact OG1-N 3.34Å; T413-V581 HydrophobicContact CG2-CG1 4.35Å
414	W	91.3	Very high	85.1	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-44	173.9	170.2	-114.8	0	0	0	112.1	M387 F389 Y407 S411 A416 L417 A418 F460 M584	M387-W414 HydrophobicContact CE-CH2 3.82Å; M387-W414 HydrophobicContact CE-CZ3 4.12Å; M387-W414 HydrophobicContact CG-CZ3 4.43Å; M387-W414 HydrophobicContact SD-CE3 3.83Å; M387-W414 HydrophobicContact SD-CH2 3.43Å; M387-W414 WeakPolarHBondContact SD-CH2 3.45Å; M387-W414 HydrophobicContact SD-CZ2 4.39Å; M387-W414 HydrophobicContact SD-CZ3 3.09Å; M387-W414 WeakPolarHBondContact SD-CZ3 3.43Å; F389-W414 HydrophobicContact CE1-CE3 4.18Å; F389-W414 HydrophobicContact CE2-CB 4.18Å; F389-W414 HydrophobicContact CZ-CB 4.08Å; Y407-W414 HydrophobicContact CD2-CD2 4.37Å; Y407-W414 HydrophobicContact CE2-CD2 4.03Å; Y407-W414 AromaticContact CE2-CE2 3.61Å; Y407-W414 HydrophobicContact CE2-CG 4.47Å; Y407-W414 HydrophobicContact CE2-CH2 4.39Å; Y407-W414 AromaticContact CE2-CZ2 3.8Å; Y407-W414 HydrophobicContact CE2-CZ2 3.8Å; Y407-W414 AromaticContact CE2-NE1 3.82Å; S411-W414 WeakPolarHBondContact O-CB 3.31Å; S411-W414 PolarHBondContact O-N 3.28Å; S411-W414 VanDerWaalsContact O-N 3.08Å; W414-A416 VanDerWaalsContact C-N 3.28Å; W414-A416 PolarHBondContact O-N 3.34Å; W414-L417 HydrophobicContact CE3-CB 4.26Å; W414-L417 HydrophobicContact CE3-CD2 4.07Å; W414-L417 HydrophobicContact CE3-CG 4.42Å; W414-L417 HydrophobicContact CZ3-CD2 4.09Å; W414-L417 HydrophobicContact CZ3-CG 4.38Å; W414-L417 PolarHBondContact O-N 2.71Å; W414-L417 VanDerWaalsContact O-N 3.11Å; W414-A418 HydrophobicContact CD2-CB 4.39Å; W414-A418 HydrophobicContact CH2-CB 4.3Å; W414-A418 HydrophobicContact CZ2-CB 4.01Å; W414-A418 VanDerWaalsContact O-CB 3.32Å; W414-A418 WeakPolarHBondContact O-CB 3.47Å; W414-A418 PolarHBondContact O-N 3.2Å; W414-F460 AromaticContact CD1-CZ 4Å; W414-F460 HydrophobicContact CZ2-CE2 4.29Å; W414-F460 AromaticContact NE1-CE2 3.52Å; W414-F460 AromaticContact NE1-CZ 3.66Å; W414-M584 HydrophobicContact CH2-CE 4.15Å; W414-M584 HydrophobicContact CZ3-CE 3.78Å
415	I	90.7	Very high	86.5	Confident	78 Å²	78	31.7 Å²	31.7	40%	0.4	18%	0.175	S	C	.	.	H	α-helix	trans	-59.7	-41.8	177.7	-64.9	167.3	0	0	0	110.6	S411 R419 F460	S411-I415 WeakPolarHBondContact O-CG1 3.34Å; S411-I415 PolarHBondContact O-N 2.84Å; I415-R419 VanDerWaalsContact O-CB 3.27Å; I415-R419 WeakPolarHBondContact O-CB 3.46Å; I415-R419 PolarHBondContact O-N 3.43Å; I415-F460 HydrophobicContact CG1-CE1 4.33Å; I415-F460 HydrophobicContact CG1-CZ 4.2Å
416	A	92.6	Very high	87.7	Confident	7 Å²	7	36.7 Å²	36.7	6%	0.058	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-43.5	174.7	0	0	0	0	0	111.8	P412 T413 W414 R419 I420 L517 V581	P412-A416 PolarHBondContact O-N 3.47Å; P412-A416 VanDerWaalsContact O-N 3.1Å; T413-A416 PolarHBondContact O-N 3.2Å; W414-A416 VanDerWaalsContact C-N 3.28Å; W414-A416 PolarHBondContact O-N 3.34Å; A416-R419 WeakPolarHBondContact O-CB 3.46Å; A416-R419 PolarHBondContact O-N 2.96Å; A416-I420 WeakPolarHBondContact O-CG1 3.33Å; A416-I420 PolarHBondContact O-N 3.1Å; A416-I420 VanDerWaalsContact O-N 3.14Å; A416-L517 HydrophobicContact CB-CD2 3.64Å; A416-V581 HydrophobicContact CB-CG1 3.95Å
417	L	93.9	Very high	88.9	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.6	-47.6	179.9	-173.6	56.7	0	0	0	111.7	F389 T413 W414 R419 I420 G421 F550 V581 M584	F389-L417 HydrophobicContact CB-CD2 4.43Å; F389-L417 HydrophobicContact CD1-CD2 4.06Å; T413-L417 WeakPolarHBondContact O-CB 3.36Å; T413-L417 PolarHBondContact O-N 2.94Å; W414-L417 HydrophobicContact CE3-CB 4.26Å; W414-L417 HydrophobicContact CE3-CD2 4.07Å; W414-L417 HydrophobicContact CE3-CG 4.42Å; W414-L417 HydrophobicContact CZ3-CD2 4.09Å; W414-L417 HydrophobicContact CZ3-CG 4.38Å; W414-L417 PolarHBondContact O-N 2.71Å; W414-L417 VanDerWaalsContact O-N 3.11Å; L417-R419 VanDerWaalsContact C-N 3.31Å; L417-R419 PolarHBondContact O-N 3.11Å; L417-I420 WeakPolarHBondContact O-CB 3.38Å; L417-I420 PolarHBondContact O-N 3.22Å; L417-I420 VanDerWaalsContact O-N 3.15Å; L417-G421 PolarHBondContact O-N 2.87Å; L417-F550 HydrophobicContact CD1-CB 3.51Å; L417-F550 HydrophobicContact CD1-CD2 3.94Å; L417-F550 HydrophobicContact CD1-CG 3.81Å; L417-V581 HydrophobicContact CB-CG1 3.75Å; L417-V581 HydrophobicContact CD1-CB 4.47Å; L417-V581 HydrophobicContact CD1-CG1 4.15Å; L417-M584 HydrophobicContact CD1-CE 4.12Å; L417-M584 HydrophobicContact CD2-CE 3.98Å; L417-M584 HydrophobicContact CD2-CG 4.29Å; L417-M584 HydrophobicContact CG-CE 3.53Å
418	A	92	Very high	89.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63	-37.1	176.6	0	0	0	0	0	112	W414 I420 G421 M422 V456 F460	W414-A418 HydrophobicContact CD2-CB 4.39Å; W414-A418 HydrophobicContact CH2-CB 4.3Å; W414-A418 HydrophobicContact CZ2-CB 4.01Å; W414-A418 VanDerWaalsContact O-CB 3.32Å; W414-A418 WeakPolarHBondContact O-CB 3.47Å; W414-A418 PolarHBondContact O-N 3.2Å; A418-I420 VanDerWaalsContact C-N 3.33Å; A418-I420 PolarHBondContact O-N 3.26Å; A418-G421 CarbonylContact O-C 3.54Å; A418-G421 PolarHBondContact O-N 2.89Å; A418-M422 WeakPolarHBondContact O-CG 3.29Å; A418-M422 PolarHBondContact O-N 2.95Å; A418-V456 HydrophobicContact CB-CG1 4.31Å; A418-F460 HydrophobicContact CB-CD2 3.94Å; A418-F460 HydrophobicContact CB-CE2 3.21Å; A418-F460 HydrophobicContact CB-CZ 3.92Å
419	R	93.2	Very high	90.6	Very high	21 Å²	21	34.8 Å²	34.8	8%	0.079	17%	0.168	C	C	.	.	H	α-helix	trans	-59.7	-42.6	172.7	176.9	-179.1	64.2	178.5	3.1	112	I415 A416 L417 G421 M422 L423 Y466 D493 L499 D552	I415-R419 VanDerWaalsContact O-CB 3.27Å; I415-R419 WeakPolarHBondContact O-CB 3.46Å; I415-R419 PolarHBondContact O-N 3.43Å; A416-R419 WeakPolarHBondContact O-CB 3.46Å; A416-R419 PolarHBondContact O-N 2.96Å; L417-R419 VanDerWaalsContact C-N 3.31Å; L417-R419 PolarHBondContact O-N 3.11Å; R419-G421 VanDerWaalsContact C-N 3.34Å; R419-M422 HydrophobicContact CB-CE 4.48Å; R419-M422 PolarHBondContact O-N 2.96Å; R419-L423 HydrophobicContact CG-CD1 3.84Å; R419-L423 HydrophobicContact CG-CG 4.34Å; R419-L423 WeakPolarHBondContact O-CB 3.43Å; R419-L423 WeakPolarHBondContact O-CG 3.46Å; R419-L423 PolarHBondContact O-N 2.8Å; R419-Y466 HydrophobicContact CG-CE1 4.25Å; R419-D493 IonicContact NH1-OD2 3.11Å; R419-L499 HydrophobicContact CG-CD2 4.32Å; R419-D552 IonicContact CZ-OD2 2.68Å; R419-D552 IonicContact NH2-OD2 3.59Å; R419-D552 PolarHBondContact NH2-OD2 3.4Å
420	I	94.7	Very high	91.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.4	-45.1	174.4	-59.4	164.1	0	0	0	109.7	A416 L417 A418 M422 L423 C424 V501 F550 D552 V581	A416-I420 WeakPolarHBondContact O-CG1 3.33Å; A416-I420 PolarHBondContact O-N 3.1Å; A416-I420 VanDerWaalsContact O-N 3.14Å; L417-I420 WeakPolarHBondContact O-CB 3.38Å; L417-I420 PolarHBondContact O-N 3.22Å; L417-I420 VanDerWaalsContact O-N 3.15Å; A418-I420 VanDerWaalsContact C-N 3.33Å; A418-I420 PolarHBondContact O-N 3.26Å; I420-M422 VanDerWaalsContact C-N 3.3Å; I420-M422 PolarHBondContact O-N 3.03Å; I420-L423 PolarHBondContact O-N 2.83Å; I420-C424 HydrophobicContact CG2-CB 4.23Å; I420-C424 WeakPolarHBondContact O-CB 3.42Å; I420-C424 PolarHBondContact O-N 3.39Å; I420-V501 HydrophobicContact CG1-CB 4.46Å; I420-V501 HydrophobicContact CG1-CG1 4.02Å; I420-V501 HydrophobicContact CG2-CB 4.16Å; I420-F550 HydrophobicContact CB-CD1 4.34Å; I420-F550 HydrophobicContact CD1-CB 4.12Å; I420-F550 HydrophobicContact CG2-CB 4.08Å; I420-F550 HydrophobicContact CG2-CD1 3.64Å; I420-F550 HydrophobicContact CG2-CG 4.34Å; I420-D552 HydrophobicContact CD1-CB 3.91Å; I420-D552 HydrophobicContact CG1-CB 4.05Å; I420-V581 HydrophobicContact CD1-CB 3.8Å; I420-V581 HydrophobicContact CD1-CG1 4.27Å; I420-V581 HydrophobicContact CD1-CG2 3.61Å
421	G	92.6	Very high	91.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-33.4	176.7	0	0	0	0	0	114.3	L417 A418 R419 N425	L417-G421 PolarHBondContact O-N 2.87Å; A418-G421 CarbonylContact O-C 3.54Å; A418-G421 PolarHBondContact O-N 2.89Å; R419-G421 VanDerWaalsContact C-N 3.34Å; G421-N425 VanDerWaalsContact O-CB 3.3Å; G421-N425 WeakPolarHBondContact O-CB 3.26Å; G421-N425 PolarHBondContact O-ND2 2.78Å
422	M	92.8	Very high	91.2	Very high	7 Å²	7	37.9 Å²	37.9	3%	0.034	20%	0.203	C	C	.	.	H	α-helix	trans	-72.3	-47.9	174.2	-74.5	-171.4	-76.7	0	0	112	A418 R419 I420 V456 F460 V463 Y466 R467	A418-M422 WeakPolarHBondContact O-CG 3.29Å; A418-M422 PolarHBondContact O-N 2.95Å; R419-M422 HydrophobicContact CB-CE 4.48Å; R419-M422 PolarHBondContact O-N 2.96Å; I420-M422 VanDerWaalsContact C-N 3.3Å; I420-M422 PolarHBondContact O-N 3.03Å; M422-V456 HydrophobicContact CG-CB 3.69Å; M422-V456 HydrophobicContact CG-CG1 4.21Å; M422-V456 HydrophobicContact CG-CG2 3.56Å; M422-F460 HydrophobicContact CE-CD2 4.49Å; M422-V463 HydrophobicContact CB-CG1 4.24Å; M422-V463 HydrophobicContact CG-CG1 4.06Å; M422-V463 HydrophobicContact CG-CG2 4.09Å; M422-V463 HydrophobicContact SD-CG2 4.15Å; M422-Y466 HydrophobicContact CB-CD1 4.25Å; M422-Y466 HydrophobicContact CE-CD1 4.04Å; M422-Y466 HydrophobicContact CE-CD2 4.43Å; M422-Y466 HydrophobicContact CE-CE1 3.9Å; M422-Y466 HydrophobicContact CE-CE2 4.3Å; M422-Y466 HydrophobicContact CE-CG 4.3Å; M422-Y466 HydrophobicContact SD-CD1 3.91Å; M422-Y466 HydrophobicContact SD-CE1 4.37Å; M422-Y466 HydrophobicContact SD-CG 3.99Å; M422-R467 PolarHBondContact O-NE 3.43Å; M422-R467 PolarHBondContact O-NH2 2.85Å; M422-R467 VanDerWaalsContact O-NH2 3.17Å
423	L	94.2	Very high	91	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-85.2	-45.3	-170.1	-65.7	-178.5	0	0	0	113.6	R419 I420 N425 Y466 N470 H489 L499 V501	R419-L423 HydrophobicContact CG-CD1 3.84Å; R419-L423 HydrophobicContact CG-CG 4.34Å; R419-L423 WeakPolarHBondContact O-CB 3.43Å; R419-L423 WeakPolarHBondContact O-CG 3.46Å; R419-L423 PolarHBondContact O-N 2.8Å; I420-L423 PolarHBondContact O-N 2.83Å; L423-N425 PolarHBondContact O-N 3.3Å; L423-Y466 HydrophobicContact CD2-CD1 4.06Å; L423-Y466 HydrophobicContact CD2-CE1 3.99Å; L423-Y466 HydrophobicContact CG-CE1 4.2Å; L423-N470 HydrophobicContact CD1-CB 4.44Å; L423-N470 HydrophobicContact CD2-CB 3.73Å; L423-H489 HydrophobicContact CD1-CB 4.34Å; L423-L499 HydrophobicContact CD1-CD2 3.96Å; L423-V501 HydrophobicContact CB-CG2 4.11Å
424	C	94.2	Very high	90.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-85	54.8	-177.1	-158.1	0	0	0	0	110.7	I420 V501 K503	I420-C424 HydrophobicContact CG2-CB 4.23Å; I420-C424 WeakPolarHBondContact O-CB 3.42Å; I420-C424 PolarHBondContact O-N 3.39Å; C424-V501 HydrophobicContact CB-CB 4.15Å; C424-V501 HydrophobicContact CB-CG2 3.68Å; C424-K503 VanDerWaalsContact O-CD 3.25Å; C424-K503 WeakPolarHBondContact O-CD 3.38Å; C424-K503 WeakPolarHBondContact O-CE 3.32Å; C424-K503 PolarHBondContact O-NZ 3.39Å
425	N	92.5	Very high	90.2	Very high	3 Å²	3	51 Å²	51	2%	0.016	26%	0.264	C	S	.	.			trans	-153.2	130.3	-172.8	-174.3	-20.2	0	0	0	110.8	G421 L423 A427 E449 L452 L453 R467	G421-N425 VanDerWaalsContact O-CB 3.3Å; G421-N425 WeakPolarHBondContact O-CB 3.26Å; G421-N425 PolarHBondContact O-ND2 2.78Å; L423-N425 PolarHBondContact O-N 3.3Å; N425-A427 WeakPolarHBondContact OD1-CB 3Å; N425-A427 PolarHBondContact OD1-N 2.97Å; N425-E449 WeakPolarHBondContact CA-OE1 3.2Å; N425-E449 PolarHBondContact ND2-O 2.88Å; N425-E449 WeakPolarHBondContact OD1-CB 3.38Å; N425-E449 PolarHBondContact OD1-O 3.47Å; N425-L452 WeakPolarHBondContact ND2-CB 3.28Å; N425-L453 PolarHBondContact ND2-N 2.71Å; N425-R467 PolarHBondContact O-NH2 3.43Å
426	R	90.2	Very high	89.9	Confident	147 Å²	147	51.4 Å²	51.4	56%	0.555	26%	0.263	S	S	*	.			trans	-97.4	-6.2	-179.8	-59	172.7	63.4	-172.3	0.5	113.6	E449 E475	R426-E449 VanDerWaalsContact CB-OE2 3.31Å; R426-E449 WeakPolarHBondContact CB-OE2 3.26Å; R426-E449 PolarHBondContact N-OE1 2.94Å; R426-E449 PolarHBondContact N-OE2 2.95Å; R426-E475 WeakPolarHBondContact CG-OE1 3.4Å
427	A	90	Very high	89.6	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.286	C	S	.	.			trans	-67.7	139.8	177.4	0	0	0	0	0	111.5	N425 N444 E449 L453 R467	N425-A427 WeakPolarHBondContact OD1-CB 3Å; N425-A427 PolarHBondContact OD1-N 2.97Å; A427-N444 CarbonylContact C-O 3.59Å; A427-N444 WeakPolarHBondContact CA-O 3.17Å; A427-E449 HydrophobicContact CB-CB 3.76Å; A427-E449 PolarHBondContact N-OE2 3.41Å; A427-L453 HydrophobicContact CB-CB 4.29Å; A427-L453 HydrophobicContact CB-CD2 4.06Å; A427-R467 PolarHBondContact O-NH1 2.62Å
428	E	89.9	Confident	89.3	Confident	126 Å²	126	56.2 Å²	56.2	59%	0.589	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134	145.9	177	-65.9	-176.8	169.1	0	0	110.4	C443 N444	E428-C443 CarbonylContact O-C 3.1Å; E428-C443 VanDerWaalsContact O-CA 3.28Å; E428-C443 WeakPolarHBondContact O-CA 3.24Å; E428-N444 PolarHBondContact N-O 2.98Å; E428-N444 PolarHBondContact O-N 3.46Å
429	F	90.6	Very high	89	Confident	37 Å²	37	56.6 Å²	56.6	16%	0.162	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	141.6	171.1	-65.6	-66.2	0	0	0	110.4	V438 R441 C443 L453 K454 E457	F429-V438 HydrophobicContact CZ-CG1 4.08Å; F429-R441 HydrophobicContact CD1-CB 3.63Å; F429-R441 HydrophobicContact CD1-CG 4.48Å; F429-R441 HydrophobicContact CE1-CB 3.87Å; F429-C443 VanDerWaalsContact CD1-SG 3.5Å; F429-C443 VanDerWaalsContact CE1-SG 3.58Å; F429-L453 HydrophobicContact CD1-CD2 4.28Å; F429-L453 HydrophobicContact CD2-CD2 4.07Å; F429-L453 HydrophobicContact CD2-CG 4.49Å; F429-L453 HydrophobicContact CE1-CD2 4.11Å; F429-L453 HydrophobicContact CE1-CG 4.41Å; F429-L453 HydrophobicContact CE2-CD1 4.08Å; F429-L453 HydrophobicContact CE2-CD2 3.88Å; F429-L453 HydrophobicContact CE2-CG 3.84Å; F429-L453 HydrophobicContact CG-CD2 4.26Å; F429-L453 HydrophobicContact CZ-CD1 4.49Å; F429-L453 HydrophobicContact CZ-CD2 3.9Å; F429-L453 HydrophobicContact CZ-CG 3.79Å; F429-K454 HydrophobicContact CE1-CG 4.14Å; F429-K454 HydrophobicContact CZ-CG 4.4Å; F429-E457 HydrophobicContact CE2-CB 4.08Å; F429-E457 HydrophobicContact CE2-CG 3.75Å; F429-E457 HydrophobicContact CZ-CB 4.06Å; F429-E457 HydrophobicContact CZ-CG 3.95Å
430	K	87.6	Confident	88.6	Confident	82 Å²	82	61.6 Å²	61.6	36%	0.357	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-64.9	148.2	172.8	-69.6	-171.9	-174.1	171.3	0	111.1	G432 E433 E442 N444	K430-G432 PolarHBondContact O-N 3.35Å; K430-E433 HydrophobicContact CB-CG 3.99Å; K430-E433 PolarHBondContact O-N 3.1Å; K430-E442 HydrophobicContact CB-CB 4.47Å; K430-E442 HydrophobicContact CD-CB 3.8Å; K430-E442 WeakPolarHBondContact CD-OE2 3.29Å; K430-E442 WeakPolarHBondContact CE-OE2 3.36Å; K430-E442 HydrophobicContact CG-CB 4.17Å; K430-E442 PolarHBondContact N-O 2.85Å; K430-E442 IonicContact NZ-OE2 2.75Å; K430-E442 PolarHBondContact NZ-OE2 3.03Å; K430-N444 WeakPolarHBondContact CE-OD1 3.38Å; K430-N444 WeakPolarHBondContact CG-OD1 3.41Å
431	V	85.7	Confident	88.3	Confident	156 Å²	156	63.6 Å²	63.6	95%	0.945	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	128.5	177.9	-175.5	0	0	0	0	109.8
432	G	84.5	Confident	88	Confident	60 Å²	60	68 Å²	68	62%	0.619	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.8	-0.4	177.1	0	0	0	0	0	116.1	K430 E434	K430-G432 PolarHBondContact O-N 3.35Å; G432-E434 VanDerWaalsContact C-N 3.33Å; G432-E434 PolarHBondContact O-N 2.93Å
433	E	84.7	Confident	87.7	Confident	26 Å²	26	68.9 Å²	68.9	12%	0.121	35%	0.352	C	S	.	.			trans	-86.8	5.9	-176.5	-67.5	-72.4	119.7	0	0	114.4	K430 N435 K436 R441 E442	K430-E433 HydrophobicContact CB-CG 3.99Å; K430-E433 PolarHBondContact O-N 3.1Å; E433-N435 VanDerWaalsContact C-N 3.27Å; E433-N435 PolarHBondContact O-N 2.8Å; E433-K436 PolarHBondContact O-N 2.98Å; E433-K436 VanDerWaalsContact O-N 3.12Å; E433-K436 WeakPolarHBondContact OE1-CE 3.32Å; E433-K436 IonicContact OE1-NZ 3.57Å; E433-K436 PolarHBondContact OE1-NZ 3.37Å; E433-K436 VanDerWaalsContact OE2-CD 3.26Å; E433-K436 WeakPolarHBondContact OE2-CD 3.35Å; E433-K436 WeakPolarHBondContact OE2-CE 3.48Å; E433-K436 IonicContact OE2-NZ 2.83Å; E433-K436 PolarHBondContact OE2-NZ 2.82Å; E433-R441 HydrophobicContact CB-CB 4.15Å; E433-R441 HydrophobicContact CB-CG 4.15Å; E433-R441 WeakPolarHBondContact O-CD 3.45Å; E433-R441 WeakPolarHBondContact O-CG 3.45Å; E433-R441 PolarHBondContact O-NE 3.08Å; E433-E442 HydrophobicContact CG-CB 4.41Å; E433-E442 PolarHBondContact OE2-N 3.43Å
434	E	82	Confident	87.2	Confident	156 Å²	156	73 Å²	73	73%	0.729	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-31.3	-172	-64.9	177.8	-177.7	0	0	113.7	G432 K436 R441	G432-E434 VanDerWaalsContact C-N 3.33Å; G432-E434 PolarHBondContact O-N 2.93Å; E434-K436 VanDerWaalsContact C-N 3.28Å; E434-K436 PolarHBondContact O-N 2.97Å; E434-R441 PolarHBondContact O-NH2 2.79Å
435	N	85.1	Confident	86.5	Confident	163 Å²	163	75.3 Å²	75.3	87%	0.872	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-14.8	-179.8	-67.4	-28.4	0	0	0	113.9	E433	E433-N435 VanDerWaalsContact C-N 3.27Å; E433-N435 PolarHBondContact O-N 2.8Å
436	K	85.6	Confident	86	Confident	87 Å²	87	79 Å²	79	38%	0.378	42%	0.418	S	S	.	.	S	Bend	trans	-89.7	149.8	179.1	-60.6	-173	-162	156.7	0	110.5	E433 E434 R441	E433-K436 PolarHBondContact O-N 2.98Å; E433-K436 VanDerWaalsContact O-N 3.12Å; E433-K436 WeakPolarHBondContact OE1-CE 3.32Å; E433-K436 IonicContact OE1-NZ 3.57Å; E433-K436 PolarHBondContact OE1-NZ 3.37Å; E433-K436 VanDerWaalsContact OE2-CD 3.26Å; E433-K436 WeakPolarHBondContact OE2-CD 3.35Å; E433-K436 WeakPolarHBondContact OE2-CE 3.48Å; E433-K436 IonicContact OE2-NZ 2.83Å; E433-K436 PolarHBondContact OE2-NZ 2.82Å; E434-K436 VanDerWaalsContact C-N 3.28Å; E434-K436 PolarHBondContact O-N 2.97Å; K436-R441 HydrophobicContact CB-CG 4.2Å; K436-R441 PolarHBondContact O-NE 2.92Å
437	P	86	Confident	85.7	Confident	82 Å²	82	74.4 Å²	74.4	53%	0.532	41%	0.411	S	S	.	.			trans	-53.4	141.5	169.7	-24.3	33.6	0	0	0	111.3	L439 K440 R441	P437-L439 PolarHBondContact O-N 3.17Å; P437-L439 VanDerWaalsContact O-N 3.1Å; P437-K440 WeakPolarHBondContact O-CA 3.27Å; P437-K440 PolarHBondContact O-N 3.4Å; P437-R441 PolarHBondContact O-N 3.2Å
438	V	87.4	Confident	85.6	Confident	26 Å²	26	74.8 Å²	74.8	16%	0.158	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-49.4	-43.9	-172.5	177.6	0	0	0	0	112.5	F429 K440 R441 K454 E457 L458	F429-V438 HydrophobicContact CZ-CG1 4.08Å; V438-K440 VanDerWaalsContact C-N 3.28Å; V438-K440 PolarHBondContact O-N 3.39Å; V438-R441 PolarHBondContact O-N 2.97Å; V438-K454 HydrophobicContact CG1-CB 4.47Å; V438-K454 HydrophobicContact CG1-CG 4.47Å; V438-E457 HydrophobicContact CG1-CB 3.92Å; V438-E457 HydrophobicContact CG1-CG 3.78Å; V438-E457 HydrophobicContact CG2-CG 4.2Å; V438-L458 HydrophobicContact CB-CD2 3.83Å; V438-L458 HydrophobicContact CB-CG 4.13Å; V438-L458 HydrophobicContact CG1-CD2 4.22Å; V438-L458 HydrophobicContact CG1-CG 3.95Å; V438-L458 HydrophobicContact CG2-CD2 4.17Å
439	L	85.4	Confident	85.6	Confident	8 Å²	8	69.2 Å²	69.2	4%	0.042	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-64.3	-29.7	179.7	-71.3	178.4	0	0	0	113.9	R381 T399 Q402 P437 K454 L458	R381-L439 WeakPolarHBondContact CD-O 3.41Å; R381-L439 VanDerWaalsContact NH1-C 3.34Å; R381-L439 PolarHBondContact NH1-O 2.88Å; T399-L439 WeakPolarHBondContact O-CD1 3.42Å; Q402-L439 HydrophobicContact CG-CD1 4.18Å; P437-L439 PolarHBondContact O-N 3.17Å; P437-L439 VanDerWaalsContact O-N 3.1Å; L439-K454 HydrophobicContact CD2-CB 4.34Å; L439-K454 PolarHBondContact O-NZ 2.82Å; L439-L458 HydrophobicContact CD1-CD1 4.43Å; L439-L458 HydrophobicContact CD2-CD1 3.65Å; L439-L458 HydrophobicContact CG-CD1 3.9Å
440	K	84.5	Confident	85.6	Confident	125 Å²	125	68.2 Å²	68.2	54%	0.543	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-92.8	-4.8	179.6	-66.2	-172.1	178.7	-177.9	0	113.8	P437 V438	P437-K440 WeakPolarHBondContact O-CA 3.27Å; P437-K440 PolarHBondContact O-N 3.4Å; V438-K440 VanDerWaalsContact C-N 3.28Å; V438-K440 PolarHBondContact O-N 3.39Å
441	R	88.8	Confident	85.8	Confident	43 Å²	43	64.4 Å²	64.4	16%	0.162	37%	0.369	C	S	.	.	S	Bend	trans	-67.7	136.8	175.5	-63	-175.2	-177.6	168.6	-4.2	110.5	F429 E433 E434 K436 P437 V438 K454	F429-R441 HydrophobicContact CD1-CB 3.63Å; F429-R441 HydrophobicContact CD1-CG 4.48Å; F429-R441 HydrophobicContact CE1-CB 3.87Å; E433-R441 HydrophobicContact CB-CB 4.15Å; E433-R441 HydrophobicContact CB-CG 4.15Å; E433-R441 WeakPolarHBondContact O-CD 3.45Å; E433-R441 WeakPolarHBondContact O-CG 3.45Å; E433-R441 PolarHBondContact O-NE 3.08Å; E434-R441 PolarHBondContact O-NH2 2.79Å; K436-R441 HydrophobicContact CB-CG 4.2Å; K436-R441 PolarHBondContact O-NE 2.92Å; P437-R441 PolarHBondContact O-N 3.2Å; V438-R441 PolarHBondContact O-N 2.97Å; R441-K454 VanDerWaalsContact O-CE 3.24Å; R441-K454 WeakPolarHBondContact O-CE 3.43Å; R441-K454 PolarHBondContact O-NZ 3.12Å
442	E	86	Confident	86.1	Confident	92 Å²	92	57 Å²	57	43%	0.43	32%	0.324	S	S	.	.			trans	-72.8	138.7	171.8	-67.8	-173.6	-165.9	0	0	111.1	K430 E433	K430-E442 HydrophobicContact CB-CB 4.47Å; K430-E442 HydrophobicContact CD-CB 3.8Å; K430-E442 WeakPolarHBondContact CD-OE2 3.29Å; K430-E442 WeakPolarHBondContact CE-OE2 3.36Å; K430-E442 HydrophobicContact CG-CB 4.17Å; K430-E442 PolarHBondContact N-O 2.85Å; K430-E442 IonicContact NZ-OE2 2.75Å; K430-E442 PolarHBondContact NZ-OE2 3.03Å; E433-E442 HydrophobicContact CG-CB 4.41Å; E433-E442 PolarHBondContact OE2-N 3.43Å
443	C	85.9	Confident	86.5	Confident	25 Å²	25	54.3 Å²	54.3	17%	0.169	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.9	-179.7	-59.7	0	0	0	0	109.9	E428 F429 S450 K454	E428-C443 CarbonylContact O-C 3.1Å; E428-C443 VanDerWaalsContact O-CA 3.28Å; E428-C443 WeakPolarHBondContact O-CA 3.24Å; F429-C443 VanDerWaalsContact CD1-SG 3.5Å; F429-C443 VanDerWaalsContact CE1-SG 3.58Å; C443-S450 WeakPolarHBondContact CB-OG 3.41Å; C443-K454 VanDerWaalsContact SG-CE 3.53Å
444	N	84.9	Confident	86.8	Confident	89 Å²	89	54 Å²	54	48%	0.476	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119.3	162.4	-66.9	-23.7	0	0	0	107.3	A427 E428 K430	A427-N444 CarbonylContact C-O 3.59Å; A427-N444 WeakPolarHBondContact CA-O 3.17Å; E428-N444 PolarHBondContact N-O 2.98Å; E428-N444 PolarHBondContact O-N 3.46Å; K430-N444 WeakPolarHBondContact CE-OD1 3.38Å; K430-N444 WeakPolarHBondContact CG-OD1 3.41Å
445	G	79	Confident	87.2	Confident	49 Å²	49	47.3 Å²	47.3	51%	0.505	26%	0.264	S	S	.	.	S	Bend	trans	148.3	173.8	-177.1	0	0	0	0	0	111.2
446	D	82.4	Confident	87.4	Confident	81 Å²	81	39.5 Å²	39.5	43%	0.433	22%	0.222	S	C	.	.			trans	-71.6	164	172.3	72.3	55	0	0	0	111.6	S448 E449 S450	D446-S448 VanDerWaalsContact C-N 3.3Å; D446-S448 PolarHBondContact O-N 3.33Å; D446-S448 WeakPolarHBondContact OD1-CA 3.42Å; D446-S448 WeakPolarHBondContact OD1-CB 3.24Å; D446-S448 PolarHBondContact OD1-N 3.45Å; D446-E449 PolarHBondContact O-N 2.97Å; D446-E449 WeakPolarHBondContact OD1-CB 3.19Å; D446-E449 WeakPolarHBondContact OD1-CG 3.21Å; D446-E449 PolarHBondContact OD1-N 3.27Å; D446-E449 WeakPolarHBondContact OD2-CG 3.17Å; D446-S450 VanDerWaalsContact O-CB 3.31Å; D446-S450 WeakPolarHBondContact O-CB 3.42Å; D446-S450 PolarHBondContact O-N 3.1Å; D446-S450 PolarHBondContact O-OG 2.79Å
447	A	84.2	Confident	87.6	Confident	49 Å²	49	36.7 Å²	36.7	41%	0.405	21%	0.21	S	C	.	.	H	α-helix	trans	-62.7	-35.8	-176.3	0	0	0	0	0	112.6	M382 A451	M382-A447 HydrophobicContact CB-CB 4.06Å; A447-A451 WeakPolarHBondContact O-CB 3.33Å; A447-A451 PolarHBondContact O-N 3.32Å
448	S	87.8	Confident	87.7	Confident	8 Å²	8	35.3 Å²	35.3	6%	0.056	20%	0.198	C	C	.	.	H	α-helix	trans	-71.2	-43.2	-179.6	-65.3	0	0	0	0	112.2	D446 A451 L452 M586	D446-S448 VanDerWaalsContact C-N 3.3Å; D446-S448 PolarHBondContact O-N 3.33Å; D446-S448 WeakPolarHBondContact OD1-CA 3.42Å; D446-S448 WeakPolarHBondContact OD1-CB 3.24Å; D446-S448 PolarHBondContact OD1-N 3.45Å; S448-A451 PolarHBondContact O-N 3.38Å; S448-L452 WeakPolarHBondContact O-CG 3.31Å; S448-L452 PolarHBondContact O-N 2.59Å; S448-L452 VanDerWaalsContact O-N 3.1Å; S448-M586 WeakPolarHBondContact CA-SD 3.5Å; S448-M586 WeakPolarHBondContact CB-SD 3.36Å; S448-M586 PolarHBondContact OG-SD 3.4Å
449	E	90.1	Very high	87.4	Confident	10 Å²	10	35.2 Å²	35.2	5%	0.047	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-39.2	174.4	-74.5	-152.9	132.2	0	0	112.1	N425 R426 A427 D446 L452 L453 Q485 K503	N425-E449 WeakPolarHBondContact CA-OE1 3.2Å; N425-E449 PolarHBondContact ND2-O 2.88Å; N425-E449 WeakPolarHBondContact OD1-CB 3.38Å; N425-E449 PolarHBondContact OD1-O 3.47Å; R426-E449 VanDerWaalsContact CB-OE2 3.31Å; R426-E449 WeakPolarHBondContact CB-OE2 3.26Å; R426-E449 PolarHBondContact N-OE1 2.94Å; R426-E449 PolarHBondContact N-OE2 2.95Å; A427-E449 HydrophobicContact CB-CB 3.76Å; A427-E449 PolarHBondContact N-OE2 3.41Å; D446-E449 PolarHBondContact O-N 2.97Å; D446-E449 WeakPolarHBondContact OD1-CB 3.19Å; D446-E449 WeakPolarHBondContact OD1-CG 3.21Å; D446-E449 PolarHBondContact OD1-N 3.27Å; D446-E449 WeakPolarHBondContact OD2-CG 3.17Å; E449-L452 PolarHBondContact O-N 3.17Å; E449-L453 WeakPolarHBondContact O-CB 3.36Å; E449-L453 PolarHBondContact O-N 3.44Å; E449-Q485 PolarHBondContact OE1-NE2 3.37Å; E449-Q485 PolarHBondContact OE1-OE1 3.16Å; E449-Q485 VanDerWaalsContact OE1-OE1 3.11Å; E449-K503 IonicContact OE1-NZ 3.48Å; E449-K503 PolarHBondContact OE1-NZ 3.27Å
450	S	90.7	Very high	87.3	Confident	15 Å²	15	39 Å²	39	11%	0.105	22%	0.215	C	C	.	.	H	α-helix	trans	-64.8	-40	175	-60	0	0	0	0	111.9	C443 D446 L453 K454	C443-S450 WeakPolarHBondContact CB-OG 3.41Å; D446-S450 VanDerWaalsContact O-CB 3.31Å; D446-S450 WeakPolarHBondContact O-CB 3.42Å; D446-S450 PolarHBondContact O-N 3.1Å; D446-S450 PolarHBondContact O-OG 2.79Å; S450-L453 PolarHBondContact O-N 3.33Å; S450-K454 WeakPolarHBondContact O-CB 3.36Å; S450-K454 VanDerWaalsContact O-CG 3.32Å; S450-K454 WeakPolarHBondContact O-CG 3.43Å; S450-K454 PolarHBondContact O-N 2.92Å
451	A	90.9	Very high	87.3	Confident	3 Å²	3	34.7 Å²	34.7	3%	0.025	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-47.4	175	0	0	0	0	0	111.4	M382 A447 S448 K454 C455 M586	M382-A451 HydrophobicContact CB-CB 4.25Å; M382-A451 HydrophobicContact CG-CB 4.13Å; M382-A451 WeakPolarHBondContact O-CB 3.41Å; A447-A451 WeakPolarHBondContact O-CB 3.33Å; A447-A451 PolarHBondContact O-N 3.32Å; S448-A451 PolarHBondContact O-N 3.38Å; A451-K454 PolarHBondContact O-N 3.03Å; A451-C455 WeakPolarHBondContact O-CB 3.33Å; A451-C455 PolarHBondContact O-N 3.25Å; A451-M586 HydrophobicContact CB-SD 4.35Å
452	L	92.8	Very high	87.1	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-60.9	-47.1	176.6	-71	168.8	0	0	0	111.5	I384 N425 S448 E449 K454 C455 V456 K503 L548 F550 M584 M586	I384-L452 HydrophobicContact CD1-CD2 3.53Å; I384-L452 HydrophobicContact CD1-CG 4.15Å; I384-L452 HydrophobicContact CG1-CD2 4.39Å; N425-L452 WeakPolarHBondContact ND2-CB 3.28Å; S448-L452 WeakPolarHBondContact O-CG 3.31Å; S448-L452 PolarHBondContact O-N 2.59Å; S448-L452 VanDerWaalsContact O-N 3.1Å; E449-L452 PolarHBondContact O-N 3.17Å; L452-K454 VanDerWaalsContact C-N 3.34Å; L452-K454 PolarHBondContact O-N 3.36Å; L452-C455 PolarHBondContact O-N 3.03Å; L452-V456 WeakPolarHBondContact O-CG2 3.24Å; L452-V456 PolarHBondContact O-N 2.68Å; L452-K503 HydrophobicContact CD1-CD 4.26Å; L452-L548 HydrophobicContact CD1-CD1 4.08Å; L452-F550 HydrophobicContact CD1-CE1 4.14Å; L452-F550 HydrophobicContact CD1-CZ 3.95Å; L452-F550 HydrophobicContact CD2-CE1 4.22Å; L452-F550 HydrophobicContact CD2-CZ 3.62Å; L452-F550 HydrophobicContact CG-CZ 4.46Å; L452-M584 HydrophobicContact CD2-CB 4.43Å; L452-M584 HydrophobicContact CD2-SD 3.36Å; L452-M584 WeakPolarHBondContact CD2-SD 3.3Å; L452-M586 HydrophobicContact CD2-CE 4.44Å; L452-M586 HydrophobicContact CG-CE 4.22Å
453	L	93.2	Very high	87.3	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-57.6	-47.3	178.8	174.6	65.4	0	0	0	111.1	N425 A427 F429 E449 S450 V456 E457 V463	N425-L453 PolarHBondContact ND2-N 2.71Å; A427-L453 HydrophobicContact CB-CB 4.29Å; A427-L453 HydrophobicContact CB-CD2 4.06Å; F429-L453 HydrophobicContact CD1-CD2 4.28Å; F429-L453 HydrophobicContact CD2-CD2 4.07Å; F429-L453 HydrophobicContact CD2-CG 4.49Å; F429-L453 HydrophobicContact CE1-CD2 4.11Å; F429-L453 HydrophobicContact CE1-CG 4.41Å; F429-L453 HydrophobicContact CE2-CD1 4.08Å; F429-L453 HydrophobicContact CE2-CD2 3.88Å; F429-L453 HydrophobicContact CE2-CG 3.84Å; F429-L453 HydrophobicContact CG-CD2 4.26Å; F429-L453 HydrophobicContact CZ-CD1 4.49Å; F429-L453 HydrophobicContact CZ-CD2 3.9Å; F429-L453 HydrophobicContact CZ-CG 3.79Å; E449-L453 WeakPolarHBondContact O-CB 3.36Å; E449-L453 PolarHBondContact O-N 3.44Å; S450-L453 PolarHBondContact O-N 3.33Å; L453-V456 WeakPolarHBondContact O-CG2 3.33Å; L453-V456 PolarHBondContact O-N 3.04Å; L453-E457 VanDerWaalsContact O-CB 3.23Å; L453-E457 WeakPolarHBondContact O-CB 3.31Å; L453-E457 PolarHBondContact O-N 3.43Å; L453-V463 HydrophobicContact CD1-CB 4.19Å; L453-V463 HydrophobicContact CD1-CG1 3.78Å
454	K	91.2	Very high	87.4	Confident	21 Å²	21	33.7 Å²	33.7	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-42.1	179.2	-74.1	174.8	176	-171.8	0	111.8	F429 V438 L439 R441 C443 S450 A451 L452 L458	F429-K454 HydrophobicContact CE1-CG 4.14Å; F429-K454 HydrophobicContact CZ-CG 4.4Å; V438-K454 HydrophobicContact CG1-CB 4.47Å; V438-K454 HydrophobicContact CG1-CG 4.47Å; L439-K454 HydrophobicContact CD2-CB 4.34Å; L439-K454 PolarHBondContact O-NZ 2.82Å; R441-K454 VanDerWaalsContact O-CE 3.24Å; R441-K454 WeakPolarHBondContact O-CE 3.43Å; R441-K454 PolarHBondContact O-NZ 3.12Å; C443-K454 VanDerWaalsContact SG-CE 3.53Å; S450-K454 WeakPolarHBondContact O-CB 3.36Å; S450-K454 VanDerWaalsContact O-CG 3.32Å; S450-K454 WeakPolarHBondContact O-CG 3.43Å; S450-K454 PolarHBondContact O-N 2.92Å; A451-K454 PolarHBondContact O-N 3.03Å; L452-K454 VanDerWaalsContact C-N 3.34Å; L452-K454 PolarHBondContact O-N 3.36Å; K454-L458 WeakPolarHBondContact O-CB 3.09Å; K454-L458 WeakPolarHBondContact O-CD1 3.43Å; K454-L458 WeakPolarHBondContact O-CG 3.42Å; K454-L458 PolarHBondContact O-N 2.89Å
455	C	89.9	Confident	87.5	Confident	14 Å²	14	34.1 Å²	34.1	10%	0.095	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-46.1	178.4	-179.9	0	0	0	0	112.7	I384 A451 L452 L458 S459	I384-C455 HydrophobicContact CB-CB 4.06Å; I384-C455 HydrophobicContact CG1-CB 3.59Å; A451-C455 WeakPolarHBondContact O-CB 3.33Å; A451-C455 PolarHBondContact O-N 3.25Å; L452-C455 PolarHBondContact O-N 3.03Å; C455-L458 PolarHBondContact O-N 2.97Å; C455-S459 PolarHBondContact O-N 3.21Å; C455-S459 PolarHBondContact O-OG 2.96Å
456	V	89.7	Confident	88.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-73.7	-34.6	179.8	-60.9	0	0	0	0	112.4	A418 M422 L452 L453 L458 S459 F460 V463	A418-V456 HydrophobicContact CB-CG1 4.31Å; M422-V456 HydrophobicContact CG-CB 3.69Å; M422-V456 HydrophobicContact CG-CG1 4.21Å; M422-V456 HydrophobicContact CG-CG2 3.56Å; L452-V456 WeakPolarHBondContact O-CG2 3.24Å; L452-V456 PolarHBondContact O-N 2.68Å; L453-V456 WeakPolarHBondContact O-CG2 3.33Å; L453-V456 PolarHBondContact O-N 3.04Å; V456-L458 VanDerWaalsContact C-N 3.35Å; V456-S459 PolarHBondContact O-N 3.37Å; V456-F460 PolarHBondContact O-N 2.85Å; V456-V463 HydrophobicContact CB-CG2 4.49Å; V456-V463 HydrophobicContact CG2-CG1 4.47Å; V456-V463 HydrophobicContact CG2-CG2 3.77Å
457	E	89.8	Confident	88.6	Confident	27 Å²	27	33 Å²	33	13%	0.126	19%	0.192	C	C	.	.	H	α-helix	trans	-64.2	-39	173.5	-175.3	69.5	-155.3	0	0	111.4	F429 V438 L453 S459 G461 G462 V463	F429-E457 HydrophobicContact CE2-CB 4.08Å; F429-E457 HydrophobicContact CE2-CG 3.75Å; F429-E457 HydrophobicContact CZ-CB 4.06Å; F429-E457 HydrophobicContact CZ-CG 3.95Å; V438-E457 HydrophobicContact CG1-CB 3.92Å; V438-E457 HydrophobicContact CG1-CG 3.78Å; V438-E457 HydrophobicContact CG2-CG 4.2Å; L453-E457 VanDerWaalsContact O-CB 3.23Å; L453-E457 WeakPolarHBondContact O-CB 3.31Å; L453-E457 PolarHBondContact O-N 3.43Å; E457-S459 VanDerWaalsContact C-N 3.29Å; E457-S459 PolarHBondContact O-N 3.03Å; E457-G461 WeakPolarHBondContact O-CA 3.46Å; E457-G461 PolarHBondContact O-N 2.94Å; E457-G462 PolarHBondContact OE1-N 2.69Å; E457-G462 PolarHBondContact OE2-N 3.38Å; E457-V463 HydrophobicContact CB-CG2 3.97Å; E457-V463 WeakPolarHBondContact OE2-CB 3.24Å; E457-V463 WeakPolarHBondContact OE2-CG2 3.39Å; E457-V463 PolarHBondContact OE2-N 2.9Å
458	L	86.4	Confident	88.8	Confident	54 Å²	54	40 Å²	40	28%	0.283	21%	0.207	S	C	.	.	H	α-helix	trans	-65.1	-32	173.4	-77.1	167.8	0	0	0	113.1	Q402 V438 L439 K454 C455 V456	Q402-L458 HydrophobicContact CG-CD1 4.21Å; Q402-L458 HydrophobicContact CG-CD2 4.17Å; V438-L458 HydrophobicContact CB-CD2 3.83Å; V438-L458 HydrophobicContact CB-CG 4.13Å; V438-L458 HydrophobicContact CG1-CD2 4.22Å; V438-L458 HydrophobicContact CG1-CG 3.95Å; V438-L458 HydrophobicContact CG2-CD2 4.17Å; L439-L458 HydrophobicContact CD1-CD1 4.43Å; L439-L458 HydrophobicContact CD2-CD1 3.65Å; L439-L458 HydrophobicContact CG-CD1 3.9Å; K454-L458 WeakPolarHBondContact O-CB 3.09Å; K454-L458 WeakPolarHBondContact O-CD1 3.43Å; K454-L458 WeakPolarHBondContact O-CG 3.42Å; K454-L458 PolarHBondContact O-N 2.89Å; C455-L458 PolarHBondContact O-N 2.97Å; V456-L458 VanDerWaalsContact C-N 3.35Å
459	S	82.3	Confident	89	Confident	23 Å²	23	44 Å²	44	16%	0.161	22%	0.224	C	C	.	.	H	α-helix	trans	-84.8	-42.8	-174.1	-61.4	0	0	0	0	113.2	Y407 C455 V456 E457	Y407-S459 PolarHBondContact OH-OG 3.5Å; C455-S459 PolarHBondContact O-N 3.21Å; C455-S459 PolarHBondContact O-OG 2.96Å; V456-S459 PolarHBondContact O-N 3.37Å; E457-S459 VanDerWaalsContact C-N 3.29Å; E457-S459 PolarHBondContact O-N 3.03Å
460	F	82.1	Confident	89.1	Confident	87 Å²	87	43.8 Å²	43.8	38%	0.382	22%	0.223	S	C	.	.	H	α-helix	trans	-116.4	-26.5	-173.3	-68	-87.4	0	0	0	113.7	W414 I415 A418 M422 V456	W414-F460 AromaticContact CD1-CZ 4Å; W414-F460 HydrophobicContact CZ2-CE2 4.29Å; W414-F460 AromaticContact NE1-CE2 3.52Å; W414-F460 AromaticContact NE1-CZ 3.66Å; I415-F460 HydrophobicContact CG1-CE1 4.33Å; I415-F460 HydrophobicContact CG1-CZ 4.2Å; A418-F460 HydrophobicContact CB-CD2 3.94Å; A418-F460 HydrophobicContact CB-CE2 3.21Å; A418-F460 HydrophobicContact CB-CZ 3.92Å; M422-F460 HydrophobicContact CE-CD2 4.49Å; V456-F460 PolarHBondContact O-N 2.85Å
461	G	84.5	Confident	89.1	Confident	36 Å²	36	45.8 Å²	45.8	37%	0.371	24%	0.235	S	C	.	.	S	Bend	trans	66.1	156.7	-170.1	0	0	0	0	0	113.7	E457 V463	E457-G461 WeakPolarHBondContact O-CA 3.46Å; E457-G461 PolarHBondContact O-N 2.94Å; G461-V463 PolarHBondContact O-N 2.86Å
462	G	85.1	Confident	89.2	Confident	34 Å²	34	49.6 Å²	49.6	35%	0.351	25%	0.251	S	S	.	.			trans	68.5	35.8	168.3	0	0	0	0	0	114.2	E457 T464 E465 Y466	E457-G462 PolarHBondContact OE1-N 2.69Å; E457-G462 PolarHBondContact OE2-N 3.38Å; G462-T464 PolarHBondContact O-N 3.46Å; G462-E465 PolarHBondContact O-N 2.8Å; G462-Y466 PolarHBondContact O-N 3.19Å
463	V	90.1	Very high	89.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.3	-36.6	-177.9	176.3	0	0	0	0	111.4	M422 L453 V456 E457 G461 E465 Y466 R467	M422-V463 HydrophobicContact CB-CG1 4.24Å; M422-V463 HydrophobicContact CG-CG1 4.06Å; M422-V463 HydrophobicContact CG-CG2 4.09Å; M422-V463 HydrophobicContact SD-CG2 4.15Å; L453-V463 HydrophobicContact CD1-CB 4.19Å; L453-V463 HydrophobicContact CD1-CG1 3.78Å; V456-V463 HydrophobicContact CB-CG2 4.49Å; V456-V463 HydrophobicContact CG2-CG1 4.47Å; V456-V463 HydrophobicContact CG2-CG2 3.77Å; E457-V463 HydrophobicContact CB-CG2 3.97Å; E457-V463 WeakPolarHBondContact OE2-CB 3.24Å; E457-V463 WeakPolarHBondContact OE2-CG2 3.39Å; E457-V463 PolarHBondContact OE2-N 2.9Å; G461-V463 PolarHBondContact O-N 2.86Å; V463-E465 PolarHBondContact O-N 3.23Å; V463-Y466 PolarHBondContact O-N 2.83Å; V463-R467 HydrophobicContact CG1-CG 4.37Å; V463-R467 WeakPolarHBondContact O-CG 3.11Å; V463-R467 PolarHBondContact O-N 3.28Å
464	T	87.8	Confident	89	Confident	104 Å²	104	53 Å²	53	64%	0.638	27%	0.274	S	S	*	.	H	α-helix	trans	-60.6	-42.8	175.9	-50	0	0	0	0	112	G462 R468	G462-T464 PolarHBondContact O-N 3.46Å; T464-R468 PolarHBondContact O-N 2.9Å; T464-R468 VanDerWaalsContact O-N 3.1Å
465	E	88.4	Confident	89	Confident	98 Å²	98	54.3 Å²	54.3	46%	0.458	28%	0.28	S	S	.	.	H	α-helix	trans	-69.3	-38.8	176.9	-165.4	-170.8	158.6	0	0	111	G462 V463 R468 K469	G462-E465 PolarHBondContact O-N 2.8Å; V463-E465 PolarHBondContact O-N 3.23Å; E465-R468 WeakPolarHBondContact O-CB 3.4Å; E465-R468 PolarHBondContact O-N 2.99Å; E465-K469 WeakPolarHBondContact O-CG 3.4Å; E465-K469 PolarHBondContact O-N 2.72Å; E465-K469 WeakPolarHBondContact OE1-CE 3.45Å; E465-K469 IonicContact OE1-NZ 3.28Å; E465-K469 PolarHBondContact OE1-NZ 2.86Å
466	Y	90.8	Very high	89.1	Confident	65 Å²	65	54.3 Å²	54.3	26%	0.255	28%	0.279	S	S	.	.	H	α-helix	trans	-62.3	-45	176.9	-168.1	-88.9	0	0	0	112.1	R419 M422 L423 G462 V463 R468 K469 N470	R419-Y466 HydrophobicContact CG-CE1 4.25Å; M422-Y466 HydrophobicContact CB-CD1 4.25Å; M422-Y466 HydrophobicContact CE-CD1 4.04Å; M422-Y466 HydrophobicContact CE-CD2 4.43Å; M422-Y466 HydrophobicContact CE-CE1 3.9Å; M422-Y466 HydrophobicContact CE-CE2 4.3Å; M422-Y466 HydrophobicContact CE-CG 4.3Å; M422-Y466 HydrophobicContact SD-CD1 3.91Å; M422-Y466 HydrophobicContact SD-CE1 4.37Å; M422-Y466 HydrophobicContact SD-CG 3.99Å; L423-Y466 HydrophobicContact CD2-CD1 4.06Å; L423-Y466 HydrophobicContact CD2-CE1 3.99Å; L423-Y466 HydrophobicContact CG-CE1 4.2Å; G462-Y466 PolarHBondContact O-N 3.19Å; V463-Y466 PolarHBondContact O-N 2.83Å; Y466-R468 VanDerWaalsContact C-N 3.32Å; Y466-R468 PolarHBondContact O-N 2.98Å; Y466-K469 PolarHBondContact O-N 3.41Å; Y466-N470 WeakPolarHBondContact CE1-ND2 3.41Å; Y466-N470 PolarHBondContact O-N 2.97Å; Y466-N470 VanDerWaalsContact O-N 3.14Å; Y466-N470 PolarHBondContact O-ND2 2.82Å
467	R	92	Very high	88.9	Confident	43 Å²	43	57.4 Å²	57.4	16%	0.162	30%	0.299	C	S	.	.	H	α-helix	trans	-62.3	-38.5	174.3	-73.5	178.5	-179.3	172	4.4	111.9	M422 N425 A427 V463 K469 N470	M422-R467 PolarHBondContact O-NE 3.43Å; M422-R467 PolarHBondContact O-NH2 2.85Å; M422-R467 VanDerWaalsContact O-NH2 3.17Å; N425-R467 PolarHBondContact O-NH2 3.43Å; A427-R467 PolarHBondContact O-NH1 2.62Å; V463-R467 HydrophobicContact CG1-CG 4.37Å; V463-R467 WeakPolarHBondContact O-CG 3.11Å; V463-R467 PolarHBondContact O-N 3.28Å; R467-K469 VanDerWaalsContact C-N 3.31Å; R467-K469 PolarHBondContact O-N 3.43Å; R467-N470 CarbonylContact O-C 3.56Å; R467-N470 VanDerWaalsContact O-C 3.25Å; R467-N470 PolarHBondContact O-N 2.99Å; R467-N470 VanDerWaalsContact O-N 3.16Å; R467-N470 VanDerWaalsContact O-O 3.13Å
468	R	90.3	Very high	88.7	Confident	194 Å²	194	61.4 Å²	61.4	73%	0.732	32%	0.316	S	S	*	.	H	α-helix	trans	-64.7	-34.9	176.1	-167.1	-176.8	70	151.1	-0.2	112.5	T464 E465 Y466 N470	T464-R468 PolarHBondContact O-N 2.9Å; T464-R468 VanDerWaalsContact O-N 3.1Å; E465-R468 WeakPolarHBondContact O-CB 3.4Å; E465-R468 PolarHBondContact O-N 2.99Å; Y466-R468 VanDerWaalsContact C-N 3.32Å; Y466-R468 PolarHBondContact O-N 2.98Å; R468-N470 VanDerWaalsContact C-N 3.3Å
469	K	90.7	Very high	88.2	Confident	93 Å²	93	62.3 Å²	62.3	40%	0.404	32%	0.321	S	S	.	.	H	α-helix	trans	-74.8	-17.5	175	-73.1	175.5	-175.6	165.7	0	113.2	E465 Y466 R467 P471 N492	E465-K469 WeakPolarHBondContact O-CG 3.4Å; E465-K469 PolarHBondContact O-N 2.72Å; E465-K469 WeakPolarHBondContact OE1-CE 3.45Å; E465-K469 IonicContact OE1-NZ 3.28Å; E465-K469 PolarHBondContact OE1-NZ 2.86Å; Y466-K469 PolarHBondContact O-N 3.41Å; R467-K469 VanDerWaalsContact C-N 3.31Å; R467-K469 PolarHBondContact O-N 3.43Å; K469-P471 WeakPolarHBondContact O-CD 3.17Å; K469-N492 PolarHBondContact O-ND2 2.8Å
470	N	91.5	Very high	87.8	Confident	6 Å²	6	65.6 Å²	65.6	3%	0.032	34%	0.344	C	S	.	.	S	Bend	trans	-124.9	71.1	-179.4	-61.4	-83.7	0	0	0	110	L423 Y466 R467 R468 K472 H489 E490 T491	L423-N470 HydrophobicContact CD1-CB 4.44Å; L423-N470 HydrophobicContact CD2-CB 3.73Å; Y466-N470 WeakPolarHBondContact CE1-ND2 3.41Å; Y466-N470 PolarHBondContact O-N 2.97Å; Y466-N470 VanDerWaalsContact O-N 3.14Å; Y466-N470 PolarHBondContact O-ND2 2.82Å; R467-N470 CarbonylContact O-C 3.56Å; R467-N470 VanDerWaalsContact O-C 3.25Å; R467-N470 PolarHBondContact O-N 2.99Å; R467-N470 VanDerWaalsContact O-N 3.16Å; R467-N470 VanDerWaalsContact O-O 3.13Å; R468-N470 VanDerWaalsContact C-N 3.3Å; N470-K472 PolarHBondContact O-N 3.35Å; N470-H489 PolarHBondContact O-ND1 3.25Å; N470-E490 CarbonylContact C-O 3.56Å; N470-E490 WeakPolarHBondContact CA-O 3.47Å; N470-T491 WeakPolarHBondContact OD1-CA 3.42Å
471	P	91.6	Very high	87.5	Confident	56 Å²	56	67 Å²	67	36%	0.364	36%	0.36	S	S	.	.			trans	-62.1	138.5	-168.9	25.8	-33.4	0	0	0	111.3	K469 H489 E490	K469-P471 WeakPolarHBondContact O-CD 3.17Å; P471-H489 WeakPolarHBondContact O-CA 3.22Å; P471-E490 HydrophobicContact CG-CB 4Å; P471-E490 PolarHBondContact O-N 2.99Å; P471-E490 VanDerWaalsContact O-N 3.09Å
472	K	92.2	Very high	87.4	Confident	83 Å²	83	68.1 Å²	68.1	36%	0.361	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	120.1	178.8	-164.3	-175.4	-50.7	-178.5	0	109.4	N470 E475	N470-K472 PolarHBondContact O-N 3.35Å; K472-E475 HydrophobicContact CD-CB 3.75Å; K472-E475 HydrophobicContact CD-CG 4.12Å; K472-E475 WeakPolarHBondContact CD-OE2 3.22Å; K472-E475 IonicContact NZ-OE1 2.82Å; K472-E475 PolarHBondContact NZ-OE1 3.32Å; K472-E475 IonicContact NZ-OE2 3.9Å; K472-E475 PolarHBondContact NZ-OE2 3.06Å
473	V	91.4	Very high	87.6	Confident	64 Å²	64	70.5 Å²	70.5	39%	0.388	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-36	-178.4	-173.8	0	0	0	0	111.9	I488 E490 Y498 F566	V473-I488 PolarHBondContact N-O 3.45Å; V473-E490 HydrophobicContact CG2-CG 3.78Å; V473-Y498 HydrophobicContact CG2-CD1 4.44Å; V473-Y498 HydrophobicContact CG2-CE1 3.95Å; V473-F566 HydrophobicContact CB-CD2 4.45Å; V473-F566 HydrophobicContact CG1-CD2 3.77Å; V473-F566 HydrophobicContact CG1-CE2 4.21Å
474	A	91.3	Very high	87.7	Confident	11 Å²	11	71 Å²	71	9%	0.091	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	152	175.8	0	0	0	0	0	110.7	S487 I488 F566 V568	A474-S487 CarbonylContact O-C 3.43Å; A474-S487 VanDerWaalsContact O-CA 3.28Å; A474-S487 WeakPolarHBondContact O-CA 3.36Å; A474-I488 HydrophobicContact CB-CB 4.35Å; A474-I488 HydrophobicContact CB-CD1 4.32Å; A474-I488 PolarHBondContact N-O 2.83Å; A474-I488 PolarHBondContact O-N 2.9Å; A474-F566 HydrophobicContact CB-CB 3.72Å; A474-F566 HydrophobicContact CB-CG 4.35Å; A474-V568 HydrophobicContact CB-CG2 4.13Å
475	E	92.1	Very high	88	Confident	49 Å²	49	66.3 Å²	66.3	23%	0.229	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	134.7	179	-172.5	165.5	-152.9	0	0	111	R426 K472 L486 V568	R426-E475 WeakPolarHBondContact CG-OE1 3.4Å; K472-E475 HydrophobicContact CD-CB 3.75Å; K472-E475 HydrophobicContact CD-CG 4.12Å; K472-E475 WeakPolarHBondContact CD-OE2 3.22Å; K472-E475 IonicContact NZ-OE1 2.82Å; K472-E475 PolarHBondContact NZ-OE1 3.32Å; K472-E475 IonicContact NZ-OE2 3.9Å; K472-E475 PolarHBondContact NZ-OE2 3.06Å; E475-L486 CarbonylContact C-O 3.54Å; E475-L486 WeakPolarHBondContact CA-O 3.5Å; E475-V568 WeakPolarHBondContact O-CG2 3.17Å
476	I	90.6	Very high	88.2	Confident	14 Å²	14	61.7 Å²	61.7	7%	0.072	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	107.6	161.9	-54.4	-170.3	0	0	0	106.4	Y484 Q485 L486 V568 P571 F573	I476-Y484 HydrophobicContact CG2-CE2 4.44Å; I476-Q485 WeakPolarHBondContact O-CA 3.23Å; I476-L486 HydrophobicContact CB-CB 4.33Å; I476-L486 HydrophobicContact CB-CD2 4.28Å; I476-L486 HydrophobicContact CD1-CD2 3.97Å; I476-L486 HydrophobicContact CG1-CD2 3.73Å; I476-L486 PolarHBondContact N-O 3.35Å; I476-L486 PolarHBondContact O-N 3.25Å; I476-V568 HydrophobicContact CG1-CG1 3.87Å; I476-P571 HydrophobicContact CD1-CG 4.48Å; I476-F573 HydrophobicContact CD1-CE2 4.32Å; I476-F573 HydrophobicContact CD1-CZ 3.97Å; I476-F573 HydrophobicContact CG1-CZ 4.46Å
477	P	86.5	Confident	88.4	Confident	64 Å²	64	58.6 Å²	58.6	42%	0.416	30%	0.297	S	S	.	.			trans	-64.4	158.4	177.1	28.5	-34.5	0	0	0	110.5	N479	P477-N479 PolarHBondContact O-N 3.3Å
478	F	85.5	Confident	88.5	Confident	111 Å²	111	56.5 Å²	56.5	49%	0.487	29%	0.289	S	S	.	.			trans	-57.4	127.7	175.8	-176.3	-93	0	0	0	110.9	Q485	F478-Q485 HydrophobicContact CB-CB 4.19Å
479	N	76.3	Confident	88.7	Confident	74 Å²	74	47.5 Å²	47.5	40%	0.396	26%	0.255	S	S	.	.			trans	-125.9	133.3	174.9	-177.7	-13.9	0	0	0	109.3	P477 T481 N482 K483	P477-N479 PolarHBondContact O-N 3.3Å; N479-T481 PolarHBondContact O-N 2.92Å; N479-T481 VanDerWaalsContact O-N 3.15Å; N479-T481 PolarHBondContact OD1-N 2.86Å; N479-N482 HydrophobicContact CB-CB 4.38Å; N479-N482 PolarHBondContact O-N 3.25Å; N479-N482 VanDerWaalsContact O-N 3.09Å; N479-K483 PolarHBondContact O-N 3.08Å
480	S	72.9	Confident	88.7	Confident	92 Å²	92	46.8 Å²	46.8	64%	0.643	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-31	177.9	-54.8	0	0	0	0	113.7	K483	S480-K483 WeakPolarHBondContact O-CG 3.43Å
481	T	76.4	Confident	88.2	Confident	116 Å²	116	47.3 Å²	47.3	71%	0.712	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-43.7	177.7	-50.6	0	0	0	0	111.6	N479	N479-T481 PolarHBondContact O-N 2.92Å; N479-T481 VanDerWaalsContact O-N 3.15Å; N479-T481 PolarHBondContact OD1-N 2.86Å
482	N	82.9	Confident	87.4	Confident	60 Å²	60	50.4 Å²	50.4	32%	0.321	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-31.5	-175.6	-70.4	-6.3	0	0	0	112.6	N479 Y484	N479-N482 HydrophobicContact CB-CB 4.38Å; N479-N482 PolarHBondContact O-N 3.25Å; N479-N482 VanDerWaalsContact O-N 3.09Å; N482-Y484 HydrophobicContact CB-CD1 3.95Å; N482-Y484 HydrophobicContact CB-CE1 3.65Å; N482-Y484 WeakPolarHBondContact O-CD1 3.47Å; N482-Y484 PolarHBondContact O-N 3.16Å
483	K	88.1	Confident	86.6	Confident	83 Å²	83	49.7 Å²	49.7	36%	0.361	27%	0.271	S	S	.	.			trans	59.8	21.9	-176.9	-58.7	-172.4	174.5	-167.3	0	115.6	N479 S480 G504 A505 R508	N479-K483 PolarHBondContact O-N 3.08Å; S480-K483 WeakPolarHBondContact O-CG 3.43Å; K483-G504 WeakPolarHBondContact O-CA 3.23Å; K483-A505 HydrophobicContact CB-CB 4.23Å; K483-A505 HydrophobicContact CD-CB 4.46Å; K483-A505 PolarHBondContact O-N 3.02Å; K483-R508 HydrophobicContact CB-CG 4.1Å; K483-R508 HydrophobicContact CD-CG 4.26Å
484	Y	92.4	Very high	85.7	Confident	11 Å²	11	53 Å²	53	4%	0.043	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	159.6	171.4	65.6	-97.1	0	0	0	111	I476 N482 L486 M502 K503	I476-Y484 HydrophobicContact CG2-CE2 4.44Å; N482-Y484 HydrophobicContact CB-CD1 3.95Å; N482-Y484 HydrophobicContact CB-CE1 3.65Å; N482-Y484 WeakPolarHBondContact O-CD1 3.47Å; N482-Y484 PolarHBondContact O-N 3.16Å; Y484-L486 HydrophobicContact CD2-CB 4.3Å; Y484-L486 HydrophobicContact CE2-CB 4.42Å; Y484-M502 HydrophobicContact CD2-CE 3.92Å; Y484-M502 HydrophobicContact CD2-CG 4.14Å; Y484-M502 HydrophobicContact CD2-SD 3.97Å; Y484-M502 HydrophobicContact CE2-CE 4.05Å; Y484-M502 HydrophobicContact CG-CE 4.45Å; Y484-M502 HydrophobicContact CG-CG 4.37Å; Y484-M502 HydrophobicContact CG-SD 3.98Å; Y484-K503 CarbonylContact C-O 3.57Å; Y484-K503 VanDerWaalsContact CA-O 3.31Å; Y484-K503 WeakPolarHBondContact CA-O 3.48Å
485	Q	93.5	Very high	84.9	Confident	6 Å²	6	54 Å²	54	3%	0.028	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.6	168.3	177.6	177.9	-10.8	0	0	107.7	E449 I476 F478 M502 K503	E449-Q485 PolarHBondContact OE1-NE2 3.37Å; E449-Q485 PolarHBondContact OE1-OE1 3.16Å; E449-Q485 VanDerWaalsContact OE1-OE1 3.11Å; I476-Q485 WeakPolarHBondContact O-CA 3.23Å; F478-Q485 HydrophobicContact CB-CB 4.19Å; Q485-M502 VanDerWaalsContact O-CA 3.29Å; Q485-M502 WeakPolarHBondContact O-CA 3.44Å; Q485-M502 WeakPolarHBondContact O-CG 3.5Å; Q485-K503 HydrophobicContact CB-CG 4.23Å; Q485-K503 PolarHBondContact N-O 3.17Å; Q485-K503 PolarHBondContact O-N 3.31Å
486	L	94	Very high	84.3	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	144.4	-178.1	162.1	146.3	0	0	0	110.3	E475 I476 Y484 I488 L500 V501 M502 F573 L575	E475-L486 CarbonylContact C-O 3.54Å; E475-L486 WeakPolarHBondContact CA-O 3.5Å; I476-L486 HydrophobicContact CB-CB 4.33Å; I476-L486 HydrophobicContact CB-CD2 4.28Å; I476-L486 HydrophobicContact CD1-CD2 3.97Å; I476-L486 HydrophobicContact CG1-CD2 3.73Å; I476-L486 PolarHBondContact N-O 3.35Å; I476-L486 PolarHBondContact O-N 3.25Å; Y484-L486 HydrophobicContact CD2-CB 4.3Å; Y484-L486 HydrophobicContact CE2-CB 4.42Å; L486-I488 HydrophobicContact CD2-CG1 4.41Å; L486-L500 HydrophobicContact CD1-CD1 3.78Å; L486-L500 HydrophobicContact CD1-CD2 3.65Å; L486-L500 HydrophobicContact CD1-CG 3.65Å; L486-L500 HydrophobicContact CG-CD2 4.46Å; L486-L500 HydrophobicContact CG-CG 4.3Å; L486-V501 CarbonylContact C-O 3.33Å; L486-V501 VanDerWaalsContact CA-O 3.32Å; L486-V501 WeakPolarHBondContact CA-O 3.46Å; L486-M502 HydrophobicContact CB-CB 4.3Å; L486-M502 HydrophobicContact CB-CE 4.15Å; L486-M502 HydrophobicContact CB-CG 4.27Å; L486-M502 HydrophobicContact CD1-CE 3.43Å; L486-M502 VanDerWaalsContact CD1-CE 3.43Å; L486-M502 HydrophobicContact CG-CE 4.42Å; L486-F573 HydrophobicContact CD1-CD2 4.49Å; L486-F573 HydrophobicContact CD1-CE2 3.93Å; L486-F573 HydrophobicContact CD2-CE2 3.54Å; L486-F573 HydrophobicContact CD2-CZ 3.81Å; L486-F573 HydrophobicContact CG-CE2 4.43Å; L486-L575 HydrophobicContact CD1-CD2 3.95Å
487	S	94.5	Very high	84.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	150.3	169.1	53.9	0	0	0	0	111.9	A474 H489 V501	A474-S487 CarbonylContact O-C 3.43Å; A474-S487 VanDerWaalsContact O-CA 3.28Å; A474-S487 WeakPolarHBondContact O-CA 3.36Å; S487-H489 VanDerWaalsContact CB-NE2 3.32Å; S487-H489 WeakPolarHBondContact CB-NE2 3.27Å; S487-H489 PolarHBondContact OG-NE2 2.9Å; S487-V501 PolarHBondContact N-O 3.3Å; S487-V501 WeakPolarHBondContact O-CG2 3.39Å; S487-V501 PolarHBondContact O-N 3.07Å; S487-V501 WeakPolarHBondContact OG-CG2 3.15Å
488	I	94.4	Very high	84.5	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	130	178.3	-56.7	177.2	0	0	0	107.9	V473 A474 L486 Y498 L499 L500 L555 F566 F573	V473-I488 PolarHBondContact N-O 3.45Å; A474-I488 HydrophobicContact CB-CB 4.35Å; A474-I488 HydrophobicContact CB-CD1 4.32Å; A474-I488 PolarHBondContact N-O 2.83Å; A474-I488 PolarHBondContact O-N 2.9Å; L486-I488 HydrophobicContact CD2-CG1 4.41Å; I488-Y498 HydrophobicContact CG2-CD1 4.18Å; I488-Y498 HydrophobicContact CG2-CG 4.35Å; I488-L499 CarbonylContact C-O 3.52Å; I488-L499 WeakPolarHBondContact CA-O 3.26Å; I488-L500 HydrophobicContact CG1-CB 4.37Å; I488-L500 HydrophobicContact CG1-CG 4.36Å; I488-L555 HydrophobicContact CD1-CD1 4.41Å; I488-L555 HydrophobicContact CG2-CD1 4.17Å; I488-F566 HydrophobicContact CD1-CB 4.49Å; I488-F566 HydrophobicContact CD1-CD1 3.5Å; I488-F566 VanDerWaalsContact CD1-CD1 3.5Å; I488-F566 HydrophobicContact CD1-CD2 4.47Å; I488-F566 HydrophobicContact CD1-CE1 3.72Å; I488-F566 HydrophobicContact CD1-CG 3.9Å; I488-F566 HydrophobicContact CD1-CZ 4.3Å; I488-F566 HydrophobicContact CG2-CD2 4.39Å; I488-F566 HydrophobicContact CG2-CE1 4.34Å; I488-F566 HydrophobicContact CG2-CE2 3.91Å; I488-F566 HydrophobicContact CG2-CZ 3.88Å; I488-F573 HydrophobicContact CD1-CB 4.37Å; I488-F573 HydrophobicContact CD1-CD1 3.82Å; I488-F573 HydrophobicContact CD1-CD2 4.03Å; I488-F573 HydrophobicContact CD1-CE1 4.02Å; I488-F573 HydrophobicContact CD1-CE2 4.23Å; I488-F573 HydrophobicContact CD1-CG 3.8Å; I488-F573 HydrophobicContact CD1-CZ 4.22Å
489	H	93.9	Very high	84.9	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.019	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.5	-173.8	-63.8	-101.6	0	0	0	111.6	L423 N470 P471 S487 L499	L423-H489 HydrophobicContact CD1-CB 4.34Å; N470-H489 PolarHBondContact O-ND1 3.25Å; P471-H489 WeakPolarHBondContact O-CA 3.22Å; S487-H489 VanDerWaalsContact CB-NE2 3.32Å; S487-H489 WeakPolarHBondContact CB-NE2 3.27Å; S487-H489 PolarHBondContact OG-NE2 2.9Å; H489-L499 PolarHBondContact N-O 2.7Å; H489-L499 PolarHBondContact O-N 2.79Å
490	E	90.2	Very high	85.8	Confident	79 Å²	79	48.9 Å²	48.9	37%	0.369	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.7	161	-68.2	-179.7	171.3	0	0	108.4	N470 P471 V473 Y498	N470-E490 CarbonylContact C-O 3.56Å; N470-E490 WeakPolarHBondContact CA-O 3.47Å; P471-E490 HydrophobicContact CG-CB 4Å; P471-E490 PolarHBondContact O-N 2.99Å; P471-E490 VanDerWaalsContact O-N 3.09Å; V473-E490 HydrophobicContact CG2-CG 3.78Å; E490-Y498 HydrophobicContact CG-CD1 3.87Å; E490-Y498 HydrophobicContact CG-CE1 3.28Å; E490-Y498 PolarHBondContact OE1-OH 3.17Å; E490-Y498 VanDerWaalsContact OE1-OH 3.05Å
491	T	82.4	Confident	86.9	Confident	16 Å²	16	44.5 Å²	44.5	10%	0.098	24%	0.235	C	C	.	.			trans	-95.4	135.1	176	54.8	0	0	0	0	110.7	N470 D493 D495 R497 L499	N470-T491 WeakPolarHBondContact OD1-CA 3.42Å; T491-D493 PolarHBondContact O-N 2.83Å; T491-D495 PolarHBondContact OG1-O 2.97Å; T491-D495 VanDerWaalsContact OG1-O 3.11Å; T491-R497 PolarHBondContact OG1-O 3.3Å; T491-L499 HydrophobicContact CG2-CB 3.49Å; T491-L499 VanDerWaalsContact CG2-CB 3.49Å; T491-L499 HydrophobicContact CG2-CD2 3.99Å; T491-L499 HydrophobicContact CG2-CG 4.36Å
492	N	74.8	Confident	87.9	Confident	122 Å²	122	39 Å²	39	65%	0.652	20%	0.202	S	C	*	.			trans	-83.9	12.1	169.8	-87.3	-9.1	0	0	0	113.1	K469	K469-N492 PolarHBondContact O-ND2 2.8Å
493	D	73.8	Confident	88.5	Confident	67 Å²	67	36.7 Å²	36.7	36%	0.358	19%	0.189	S	C	.	.	S	Bend	trans	-70	169.9	173.3	-63.5	-16	0	0	0	110.6	R419 T491 D495 R554	R419-D493 IonicContact NH1-OD2 3.11Å; T491-D493 PolarHBondContact O-N 2.83Å; D493-D495 PolarHBondContact O-N 3.4Å; D493-R554 IonicContact OD2-NH2 2.83Å; D493-R554 PolarHBondContact OD2-NH2 2.86Å; D493-R554 VanDerWaalsContact OD2-NH2 3.09Å
494	S	72.3	Confident	88.8	Confident	134 Å²	134	32.8 Å²	32.8	94%	0.937	17%	0.172	S	C	*	.	S	Bend	trans	-61.5	-8.3	172.9	52	0	0	0	0	114.6
495	D	75.8	Confident	88.8	Confident	31 Å²	31	33.2 Å²	33.2	17%	0.166	18%	0.178	C	C	.	.			trans	-104.2	116.1	-178.7	-179.6	-0.3	0	0	0	109.6	T491 D493 R497 R554	T491-D495 PolarHBondContact OG1-O 2.97Å; T491-D495 VanDerWaalsContact OG1-O 3.11Å; D493-D495 PolarHBondContact O-N 3.4Å; D495-R497 PolarHBondContact O-N 2.93Å; D495-R497 WeakPolarHBondContact OD1-CB 3.33Å; D495-R497 VanDerWaalsContact OD1-CG 3.27Å; D495-R497 WeakPolarHBondContact OD1-CG 3.44Å; D495-R497 IonicContact OD1-CZ 3.52Å; D495-R497 PolarHBondContact OD1-N 3.17Å; D495-R497 IonicContact OD1-NE 3.89Å; D495-R497 PolarHBondContact OD1-NE 2.69Å; D495-R497 IonicContact OD1-NH2 2.7Å; D495-R497 IonicContact OD2-CZ 3.91Å; D495-R497 IonicContact OD2-NE 3.2Å; D495-R497 PolarHBondContact OD2-NE 3.29Å; D495-R497 IonicContact OD2-NH2 3.65Å; D495-R497 PolarHBondContact OD2-NH2 3.13Å; D495-R554 WeakPolarHBondContact OD2-CD 3.39Å; D495-R554 IonicContact OD2-CZ 2.98Å; D495-R554 IonicContact OD2-NE 2.69Å; D495-R554 PolarHBondContact OD2-NE 3.41Å; D495-R554 IonicContact OD2-NH1 3.01Å; D495-R554 PolarHBondContact OD2-NH1 2.99Å
496	E	79.8	Confident	88.7	Confident	114 Å²	114	33.1 Å²	33.1	53%	0.533	18%	0.178	S	C	.	.			trans	-75.7	0.6	-173.8	-61.1	-160.3	123.7	0	0	114.4	L557 K562	E496-L557 HydrophobicContact CB-CD1 4.34Å; E496-L557 HydrophobicContact CB-CD2 3.91Å; E496-K562 IonicContact OE1-NZ 3.73Å; E496-K562 PolarHBondContact OE1-NZ 2.71Å
497	R	88.4	Confident	88.6	Confident	87 Å²	87	36.4 Å²	36.4	33%	0.328	19%	0.193	S	C	.	.	S	Bend	trans	-69.6	145	179	-72.4	-178.3	-69.5	176.5	-1.7	112.4	T491 D495 R554 L555 L557	T491-R497 PolarHBondContact OG1-O 3.3Å; D495-R497 PolarHBondContact O-N 2.93Å; D495-R497 WeakPolarHBondContact OD1-CB 3.33Å; D495-R497 VanDerWaalsContact OD1-CG 3.27Å; D495-R497 WeakPolarHBondContact OD1-CG 3.44Å; D495-R497 IonicContact OD1-CZ 3.52Å; D495-R497 PolarHBondContact OD1-N 3.17Å; D495-R497 IonicContact OD1-NE 3.89Å; D495-R497 PolarHBondContact OD1-NE 2.69Å; D495-R497 IonicContact OD1-NH2 2.7Å; D495-R497 IonicContact OD2-CZ 3.91Å; D495-R497 IonicContact OD2-NE 3.2Å; D495-R497 PolarHBondContact OD2-NE 3.29Å; D495-R497 IonicContact OD2-NH2 3.65Å; D495-R497 PolarHBondContact OD2-NH2 3.13Å; R497-R554 HydrophobicContact CB-CB 4.39Å; R497-R554 VanDerWaalsContact NH2-CD 3.35Å; R497-L555 WeakPolarHBondContact CB-O 3.24Å; R497-L555 VanDerWaalsContact CD-O 3.29Å; R497-L555 WeakPolarHBondContact CD-O 3.47Å; R497-L555 WeakPolarHBondContact CG-O 3.45Å; R497-L557 HydrophobicContact CG-CB 4.36Å; R497-L557 HydrophobicContact CG-CD1 3.53Å; R497-L557 HydrophobicContact CG-CG 3.56Å
498	Y	92.1	Very high	88.5	Confident	5 Å²	5	41.5 Å²	41.5	2%	0.02	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	137.7	165.3	-73.2	-74.8	0	0	0	110.8	V473 I488 E490 L555 K561 K562 G563 F566	V473-Y498 HydrophobicContact CG2-CD1 4.44Å; V473-Y498 HydrophobicContact CG2-CE1 3.95Å; I488-Y498 HydrophobicContact CG2-CD1 4.18Å; I488-Y498 HydrophobicContact CG2-CG 4.35Å; E490-Y498 HydrophobicContact CG-CD1 3.87Å; E490-Y498 HydrophobicContact CG-CE1 3.28Å; E490-Y498 PolarHBondContact OE1-OH 3.17Å; E490-Y498 VanDerWaalsContact OE1-OH 3.05Å; Y498-L555 PolarHBondContact O-N 2.76Å; Y498-K561 WeakPolarHBondContact CE2-O 3.43Å; Y498-K562 WeakPolarHBondContact OH-CA 3.3Å; Y498-G563 PolarHBondContact OH-N 2.94Å; Y498-F566 HydrophobicContact CD1-CE2 4.06Å; Y498-F566 HydrophobicContact CD1-CZ 4.38Å; Y498-F566 HydrophobicContact CD2-CE2 4.06Å; Y498-F566 AromaticContact CD2-CZ 3.84Å; Y498-F566 HydrophobicContact CD2-CZ 3.84Å; Y498-F566 HydrophobicContact CE1-CE2 4.11Å; Y498-F566 HydrophobicContact CE2-CE2 4.13Å; Y498-F566 HydrophobicContact CE2-CZ 4.29Å; Y498-F566 HydrophobicContact CG-CE2 4.04Å; Y498-F566 AromaticContact CG-CZ 3.91Å; Y498-F566 HydrophobicContact CG-CZ 3.91Å
499	L	93.9	Very high	88.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.5	175.1	-179.5	69.6	0	0	0	109.8	R419 L423 I488 H489 T491 V501 D552 R554	R419-L499 HydrophobicContact CG-CD2 4.32Å; L423-L499 HydrophobicContact CD1-CD2 3.96Å; I488-L499 CarbonylContact C-O 3.52Å; I488-L499 WeakPolarHBondContact CA-O 3.26Å; H489-L499 PolarHBondContact N-O 2.7Å; H489-L499 PolarHBondContact O-N 2.79Å; T491-L499 HydrophobicContact CG2-CB 3.49Å; T491-L499 VanDerWaalsContact CG2-CB 3.49Å; T491-L499 HydrophobicContact CG2-CD2 3.99Å; T491-L499 HydrophobicContact CG2-CG 4.36Å; L499-V501 HydrophobicContact CD2-CG1 3.93Å; L499-V501 HydrophobicContact CG-CG1 3.93Å; L499-D552 HydrophobicContact CD1-CB 4.19Å; L499-R554 HydrophobicContact CD1-CG 4.01Å
500	L	95	Very high	88.4	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.1	168.5	-179.8	162.3	0	0	0	108.3	L486 I488 M502 D552 Y553 L555 F573 P574 L578	L486-L500 HydrophobicContact CD1-CD1 3.78Å; L486-L500 HydrophobicContact CD1-CD2 3.65Å; L486-L500 HydrophobicContact CD1-CG 3.65Å; L486-L500 HydrophobicContact CG-CD2 4.46Å; L486-L500 HydrophobicContact CG-CG 4.3Å; I488-L500 HydrophobicContact CG1-CB 4.37Å; I488-L500 HydrophobicContact CG1-CG 4.36Å; L500-M502 HydrophobicContact CD2-CB 4.49Å; L500-D552 CarbonylContact O-C 3.58Å; L500-D552 VanDerWaalsContact O-CA 3.23Å; L500-D552 WeakPolarHBondContact O-CA 3.34Å; L500-D552 WeakPolarHBondContact O-CB 3.29Å; L500-Y553 PolarHBondContact N-O 2.87Å; L500-Y553 PolarHBondContact O-N 3.17Å; L500-L555 HydrophobicContact CB-CG 4.45Å; L500-L555 HydrophobicContact CD1-CD2 4.47Å; L500-F573 HydrophobicContact CD1-CD2 3.92Å; L500-P574 WeakPolarHBondContact CD1-O 3.44Å; L500-L578 HydrophobicContact CD2-CD1 4.24Å; L500-L578 HydrophobicContact CD2-CD2 3.99Å
501	V	96.7	Very high	88.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140.1	175.2	-68.6	0	0	0	0	109.5	I420 L423 C424 L486 S487 L499 D552	I420-V501 HydrophobicContact CG1-CB 4.46Å; I420-V501 HydrophobicContact CG1-CG1 4.02Å; I420-V501 HydrophobicContact CG2-CB 4.16Å; L423-V501 HydrophobicContact CB-CG2 4.11Å; C424-V501 HydrophobicContact CB-CB 4.15Å; C424-V501 HydrophobicContact CB-CG2 3.68Å; L486-V501 CarbonylContact C-O 3.33Å; L486-V501 VanDerWaalsContact CA-O 3.32Å; L486-V501 WeakPolarHBondContact CA-O 3.46Å; S487-V501 PolarHBondContact N-O 3.3Å; S487-V501 WeakPolarHBondContact O-CG2 3.39Å; S487-V501 PolarHBondContact O-N 3.07Å; S487-V501 WeakPolarHBondContact OG-CG2 3.15Å; L499-V501 HydrophobicContact CD2-CG1 3.93Å; L499-V501 HydrophobicContact CG-CG1 3.93Å; V501-D552 HydrophobicContact CG1-CB 4.2Å
502	M	96.2	Very high	89	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	139.3	-179.3	-178.6	-171.4	-66.4	0	0	110.6	Y484 Q485 L486 L500 I509 C551 L575 L578	Y484-M502 HydrophobicContact CD2-CE 3.92Å; Y484-M502 HydrophobicContact CD2-CG 4.14Å; Y484-M502 HydrophobicContact CD2-SD 3.97Å; Y484-M502 HydrophobicContact CE2-CE 4.05Å; Y484-M502 HydrophobicContact CG-CE 4.45Å; Y484-M502 HydrophobicContact CG-CG 4.37Å; Y484-M502 HydrophobicContact CG-SD 3.98Å; Q485-M502 VanDerWaalsContact O-CA 3.29Å; Q485-M502 WeakPolarHBondContact O-CA 3.44Å; Q485-M502 WeakPolarHBondContact O-CG 3.5Å; L486-M502 HydrophobicContact CB-CB 4.3Å; L486-M502 HydrophobicContact CB-CE 4.15Å; L486-M502 HydrophobicContact CB-CG 4.27Å; L486-M502 HydrophobicContact CD1-CE 3.43Å; L486-M502 VanDerWaalsContact CD1-CE 3.43Å; L486-M502 HydrophobicContact CG-CE 4.42Å; L500-M502 HydrophobicContact CD2-CB 4.49Å; M502-I509 HydrophobicContact CG-CD1 3.7Å; M502-I509 HydrophobicContact SD-CD1 3.7Å; M502-C551 PolarHBondContact N-O 3.46Å; M502-C551 PolarHBondContact O-N 2.99Å; M502-L575 HydrophobicContact CE-CD2 4.09Å; M502-L578 HydrophobicContact CE-CD1 3.74Å; M502-L578 HydrophobicContact SD-CD1 3.96Å
503	K	96	Very high	89.9	Confident	11 Å²	11	41 Å²	41	5%	0.048	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153.8	170.7	73.7	179.3	-178.4	-164.6	0	111	C424 E449 L452 Y484 Q485 G549 F550	C424-K503 VanDerWaalsContact O-CD 3.25Å; C424-K503 WeakPolarHBondContact O-CD 3.38Å; C424-K503 WeakPolarHBondContact O-CE 3.32Å; C424-K503 PolarHBondContact O-NZ 3.39Å; E449-K503 IonicContact OE1-NZ 3.48Å; E449-K503 PolarHBondContact OE1-NZ 3.27Å; L452-K503 HydrophobicContact CD1-CD 4.26Å; Y484-K503 CarbonylContact C-O 3.57Å; Y484-K503 VanDerWaalsContact CA-O 3.31Å; Y484-K503 WeakPolarHBondContact CA-O 3.48Å; Q485-K503 HydrophobicContact CB-CG 4.23Å; Q485-K503 PolarHBondContact N-O 3.17Å; Q485-K503 PolarHBondContact O-N 3.31Å; K503-G549 CarbonylContact C-O 3.46Å; K503-G549 WeakPolarHBondContact CA-O 3.31Å; K503-F550 HydrophobicContact CB-CD1 3.66Å; K503-F550 HydrophobicContact CB-CE1 3.69Å; K503-F550 HydrophobicContact CD-CE1 4.06Å
504	G	93.9	Very high	90.7	Very high	2 Å²	2	38.9 Å²	38.9	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.2	-163.8	-179.9	0	0	0	0	0	113.9	K483 G549	K483-G504 WeakPolarHBondContact O-CA 3.23Å; G504-G549 PolarHBondContact N-O 3.13Å; G504-G549 VanDerWaalsContact N-O 3.08Å; G504-G549 PolarHBondContact O-N 3.19Å
505	A	92.5	Very high	91.8	Very high	19 Å²	19	34.2 Å²	34.2	16%	0.157	17%	0.168	C	C	.	.			trans	-59.1	130.8	173.7	0	0	0	0	0	110.1	K483 E507 R508 I509	K483-A505 HydrophobicContact CB-CB 4.23Å; K483-A505 HydrophobicContact CD-CB 4.46Å; K483-A505 PolarHBondContact O-N 3.02Å; A505-E507 VanDerWaalsContact C-N 3.32Å; A505-E507 WeakPolarHBondContact CB-OE1 3.39Å; A505-E507 PolarHBondContact O-N 2.91Å; A505-R508 HydrophobicContact CB-CB 4.22Å; A505-R508 HydrophobicContact CB-CG 4.03Å; A505-R508 WeakPolarHBondContact O-CB 3.39Å; A505-R508 PolarHBondContact O-N 2.98Å; A505-I509 WeakPolarHBondContact O-CG1 3.09Å; A505-I509 PolarHBondContact O-N 3.11Å
506	P	92.6	Very high	92.7	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.032	16%	0.162	C	C	.	.	H	α-helix	trans	-49.9	-47.9	-171.6	-30.7	37	0	0	0	113.9	R508 I509 L510 F533 Y537 V547 L583	P506-R508 VanDerWaalsContact C-N 3.32Å; P506-R508 PolarHBondContact O-N 2.85Å; P506-I509 PolarHBondContact O-N 2.79Å; P506-L510 PolarHBondContact O-N 3.31Å; P506-F533 HydrophobicContact CB-CE1 4.5Å; P506-F533 HydrophobicContact CB-CZ 3.78Å; P506-Y537 HydrophobicContact CB-CD2 3.95Å; P506-Y537 HydrophobicContact CB-CE2 4.09Å; P506-Y537 HydrophobicContact CB-CG 4.45Å; P506-Y537 HydrophobicContact CG-CD2 3.92Å; P506-Y537 HydrophobicContact CG-CE2 3.8Å; P506-V547 WeakPolarHBondContact CD-O 3.33Å; P506-V547 HydrophobicContact CG-CB 3.9Å; P506-V547 HydrophobicContact CG-CG1 3.84Å; P506-V547 WeakPolarHBondContact CG-O 3.19Å; P506-L583 HydrophobicContact CB-CD2 3.86Å; P506-L583 HydrophobicContact CG-CD2 4.16Å
507	E	91.1	Very high	93.4	Very high	68 Å²	68	28 Å²	28	32%	0.318	14%	0.138	S	C	.	.	H	α-helix	trans	-62.7	-38.9	-179.8	71.7	-72.8	178	0	0	112	A505 I509 L510 D511	A505-E507 VanDerWaalsContact C-N 3.32Å; A505-E507 WeakPolarHBondContact CB-OE1 3.39Å; A505-E507 PolarHBondContact O-N 2.91Å; E507-I509 VanDerWaalsContact C-N 3.34Å; E507-I509 PolarHBondContact O-N 3.32Å; E507-L510 PolarHBondContact O-N 3.4Å; E507-D511 VanDerWaalsContact O-CG 3.25Å; E507-D511 PolarHBondContact O-N 2.83Å; E507-D511 VanDerWaalsContact O-N 3.11Å
508	R	92.6	Very high	93.5	Very high	108 Å²	108	25 Å²	25	41%	0.408	13%	0.128	S	C	.	.	H	α-helix	trans	-72.6	-29.4	179.8	-65.1	-62.8	-169.6	167.7	3.4	112.9	K483 A505 P506 R512	K483-R508 HydrophobicContact CB-CG 4.1Å; K483-R508 HydrophobicContact CD-CG 4.26Å; A505-R508 HydrophobicContact CB-CB 4.22Å; A505-R508 HydrophobicContact CB-CG 4.03Å; A505-R508 WeakPolarHBondContact O-CB 3.39Å; A505-R508 PolarHBondContact O-N 2.98Å; P506-R508 VanDerWaalsContact C-N 3.32Å; P506-R508 PolarHBondContact O-N 2.85Å; R508-R512 WeakPolarHBondContact O-CG 3.43Å
509	I	94.1	Very high	93.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-76.9	-43.3	176	-63.7	-60.9	0	0	0	109.9	M502 A505 P506 E507 D511 R512 C513 C551 F580	M502-I509 HydrophobicContact CG-CD1 3.7Å; M502-I509 HydrophobicContact SD-CD1 3.7Å; A505-I509 WeakPolarHBondContact O-CG1 3.09Å; A505-I509 PolarHBondContact O-N 3.11Å; P506-I509 PolarHBondContact O-N 2.79Å; E507-I509 VanDerWaalsContact C-N 3.34Å; E507-I509 PolarHBondContact O-N 3.32Å; I509-D511 VanDerWaalsContact C-N 3.34Å; I509-D511 PolarHBondContact O-N 3.02Å; I509-R512 PolarHBondContact O-N 3.41Å; I509-R512 VanDerWaalsContact O-N 3.09Å; I509-C513 PolarHBondContact O-N 2.88Å; I509-C513 PolarHBondContact O-SG 3.32Å; I509-C551 HydrophobicContact CG2-CB 3.95Å; I509-F580 HydrophobicContact CG2-CD2 3.96Å; I509-F580 HydrophobicContact CG2-CE2 3.9Å
510	L	92.3	Very high	92.9	Very high	14 Å²	14	31.9 Å²	31.9	7%	0.073	17%	0.174	C	C	.	.	H	α-helix	trans	-58	-45.6	177.1	-170	75	0	0	0	111.8	P506 E507 R512 C513 M525 R530 F533	P506-L510 PolarHBondContact O-N 3.31Å; E507-L510 PolarHBondContact O-N 3.4Å; L510-R512 PolarHBondContact O-N 3.35Å; L510-C513 PolarHBondContact O-N 3.34Å; L510-M525 HydrophobicContact CD1-CE 3.87Å; L510-M525 HydrophobicContact CD1-SD 4.13Å; L510-R530 HydrophobicContact CD2-CG 4.38Å; L510-F533 HydrophobicContact CB-CE1 4.09Å; L510-F533 HydrophobicContact CB-CE2 4.47Å; L510-F533 HydrophobicContact CB-CZ 3.99Å; L510-F533 HydrophobicContact CD1-CD1 4.12Å; L510-F533 HydrophobicContact CD1-CD2 3.95Å; L510-F533 HydrophobicContact CD1-CE1 4.34Å; L510-F533 HydrophobicContact CD1-CE2 4.12Å; L510-F533 HydrophobicContact CD1-CG 3.93Å; L510-F533 HydrophobicContact CD1-CZ 4.33Å; L510-F533 HydrophobicContact CD2-CD1 3.57Å; L510-F533 HydrophobicContact CD2-CE1 3.71Å; L510-F533 HydrophobicContact CD2-CG 4.19Å; L510-F533 HydrophobicContact CD2-CZ 4.38Å; L510-F533 HydrophobicContact CG-CD1 4.3Å; L510-F533 HydrophobicContact CG-CE1 4.26Å; L510-F533 HydrophobicContact CG-CZ 4.46Å
511	D	91.6	Very high	92.7	Very high	124 Å²	124	39 Å²	39	66%	0.663	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.5	178.1	-73.8	-16.1	0	0	0	113.8	E507 I509	E507-D511 VanDerWaalsContact O-CG 3.25Å; E507-D511 PolarHBondContact O-N 2.83Å; E507-D511 VanDerWaalsContact O-N 3.11Å; I509-D511 VanDerWaalsContact C-N 3.34Å; I509-D511 PolarHBondContact O-N 3.02Å
512	R	93	Very high	92.4	Very high	62 Å²	62	44.7 Å²	44.7	23%	0.234	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-5.8	-178.4	-66.2	178.7	-179.2	-75.6	-3.2	113.4	R508 I509 L510 L575 T576 N577 L578	R508-R512 WeakPolarHBondContact O-CG 3.43Å; I509-R512 PolarHBondContact O-N 3.41Å; I509-R512 VanDerWaalsContact O-N 3.09Å; L510-R512 PolarHBondContact O-N 3.35Å; R512-L575 WeakPolarHBondContact CD-O 3.36Å; R512-L575 WeakPolarHBondContact CG-O 3.07Å; R512-L575 PolarHBondContact NH1-O 3.44Å; R512-L575 VanDerWaalsContact NH1-O 3.12Å; R512-T576 CarbonylContact O-C 3.55Å; R512-T576 WeakPolarHBondContact O-CA 3.42Å; R512-N577 PolarHBondContact O-N 2.82Å; R512-L578 HydrophobicContact CB-CD1 4.45Å; R512-L578 PolarHBondContact O-N 2.76Å
513	C	93.8	Very high	92.2	Very high	10 Å²	10	48.5 Å²	48.5	7%	0.068	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.6	-175.2	-63.9	0	0	0	0	112.1	I509 L510 M525 C551 L578 F580	I509-C513 PolarHBondContact O-N 2.88Å; I509-C513 PolarHBondContact O-SG 3.32Å; L510-C513 PolarHBondContact O-N 3.34Å; C513-M525 HydrophobicContact CB-CE 4.37Å; C513-C551 WeakPolarHBondContact SG-CB 3.2Å; C513-L578 CarbonylContact C-O 3.41Å; C513-L578 WeakPolarHBondContact CA-O 3.43Å; C513-F580 HydrophobicContact CB-CB 3.82Å
514	G	91.9	Very high	92	Very high	23 Å²	23	53.2 Å²	53.2	24%	0.237	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-25.7	174.9	0	0	0	0	0	113.5	M525 L578	G514-M525 WeakPolarHBondContact O-CB 3.38Å; G514-M525 PolarHBondContact O-N 3.04Å; G514-L578 PolarHBondContact N-O 2.58Å
515	T	94.6	Very high	91.7	Very high	36 Å²	36	53.5 Å²	53.5	22%	0.221	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	162.4	178.2	55.7	0	0	0	0	110.7	E523 L578 R579 F580	T515-E523 CarbonylContact C-O 3.58Å; T515-E523 WeakPolarHBondContact CA-O 2.99Å; T515-E523 VanDerWaalsContact CB-O 3.22Å; T515-E523 WeakPolarHBondContact CB-O 3.5Å; T515-L578 PolarHBondContact N-O 3.45Å; T515-R579 CarbonylContact O-C 3.51Å; T515-R579 WeakPolarHBondContact O-CA 3.42Å; T515-F580 PolarHBondContact O-N 3.33Å
516	I	94.2	Very high	91.5	Very high	8 Å²	8	56.2 Å²	56.2	4%	0.041	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	147.3	173.3	-173.5	163.9	0	0	0	110	W388 I518 E522 E523 M525 M529 F580	W388-I516 HydrophobicContact CH2-CD1 3.91Å; W388-I516 HydrophobicContact CZ3-CD1 4.05Å; I516-I518 HydrophobicContact CG1-CG1 4.3Å; I516-I518 HydrophobicContact CG2-CD1 3.84Å; I516-I518 HydrophobicContact CG2-CG1 4.08Å; I516-E522 WeakPolarHBondContact O-CA 3.31Å; I516-E523 HydrophobicContact CG2-CB 4.26Å; I516-E523 PolarHBondContact N-O 3.45Å; I516-E523 PolarHBondContact O-N 3.24Å; I516-M525 HydrophobicContact CB-CE 3.77Å; I516-M525 HydrophobicContact CB-SD 4.39Å; I516-M525 HydrophobicContact CD1-CE 4.26Å; I516-M525 HydrophobicContact CG1-CE 4.4Å; I516-M529 HydrophobicContact CG2-CE 4.33Å; I516-M529 HydrophobicContact CG2-SD 3.36Å; I516-M529 WeakPolarHBondContact CG2-SD 3.48Å; I516-F580 CarbonylContact C-O 3.58Å; I516-F580 VanDerWaalsContact CA-O 3.32Å; I516-F580 WeakPolarHBondContact CA-O 3.39Å; I516-F580 HydrophobicContact CB-CB 4.35Å; I516-F580 HydrophobicContact CD1-CD1 3.88Å; I516-F580 HydrophobicContact CG1-CB 4.28Å; I516-F580 HydrophobicContact CG1-CD1 4.03Å
517	L	94.1	Very high	91.3	Very high	6 Å²	6	61.5 Å²	61.5	3%	0.031	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	115.6	173.9	-169.4	67.4	0	0	0	110.2	T413 A416 K521 E522 R579 F580 V581	T413-L517 HydrophobicContact CG2-CB 4.32Å; T413-L517 HydrophobicContact CG2-CD2 4.07Å; T413-L517 HydrophobicContact CG2-CG 4.13Å; A416-L517 HydrophobicContact CB-CD2 3.64Å; L517-K521 WeakPolarHBondContact CA-O 3.43Å; L517-E522 HydrophobicContact CD1-CG 4.33Å; L517-R579 HydrophobicContact CB-CG 4.45Å; L517-F580 PolarHBondContact N-O 2.88Å; L517-V581 HydrophobicContact CD2-CG1 4.28Å
518	I	91.3	Very high	91.2	Very high	23 Å²	23	61.3 Å²	61.3	12%	0.118	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	119.9	176.9	-63.5	173	0	0	0	108.9	I516 G520 K521 M529	I516-I518 HydrophobicContact CG1-CG1 4.3Å; I516-I518 HydrophobicContact CG2-CD1 3.84Å; I516-I518 HydrophobicContact CG2-CG1 4.08Å; I518-G520 PolarHBondContact O-N 3.26Å; I518-G520 VanDerWaalsContact O-N 3.13Å; I518-K521 PolarHBondContact N-O 3.19Å; I518-K521 PolarHBondContact O-N 2.76Å; I518-M529 HydrophobicContact CD1-CE 3.72Å; I518-M529 HydrophobicContact CD1-SD 4.13Å
519	N	87.5	Confident	91	Very high	113 Å²	113	57.4 Å²	57.4	60%	0.604	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	38.7	-176.8	-61.7	-59.3	0	0	0	112.9	D390 T413 K521	D390-N519 PolarHBondContact OD1-N 3.5Å; T413-N519 PolarHBondContact OG1-N 3.4Å; N519-K521 VanDerWaalsContact C-N 3.31Å; N519-K521 PolarHBondContact O-N 3.01Å
520	G	85.8	Confident	90.7	Very high	37 Å²	37	61.5 Å²	61.5	38%	0.381	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	0.5	-177.1	0	0	0	0	0	116.2	T413 I518	T413-G520 PolarHBondContact OG1-N 3.34Å; I518-G520 PolarHBondContact O-N 3.26Å; I518-G520 VanDerWaalsContact O-N 3.13Å
521	K	90.8	Very high	90.7	Very high	149 Å²	149	66.6 Å²	66.6	65%	0.648	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	141	174.4	-65.2	-178.1	-178.9	176.8	0	110.9	L517 I518 N519	L517-K521 WeakPolarHBondContact CA-O 3.43Å; I518-K521 PolarHBondContact N-O 3.19Å; I518-K521 PolarHBondContact O-N 2.76Å; N519-K521 VanDerWaalsContact C-N 3.31Å; N519-K521 PolarHBondContact O-N 3.01Å
522	E	91.2	Very high	90.7	Very high	120 Å²	120	63.5 Å²	63.5	56%	0.561	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	119.3	174.2	-57.2	-168.9	-177	0	0	109.7	I516 L517 R579	I516-E522 WeakPolarHBondContact O-CA 3.31Å; L517-E522 HydrophobicContact CD1-CG 4.33Å; E522-R579 VanDerWaalsContact OE1-CD 3.23Å; E522-R579 WeakPolarHBondContact OE1-CD 3.49Å; E522-R579 IonicContact OE1-CZ 2.95Å; E522-R579 IonicContact OE1-NE 2.66Å; E522-R579 IonicContact OE1-NH1 2.81Å; E522-R579 PolarHBondContact OE1-NH1 3.46Å
523	E	91.5	Very high	90.7	Very high	80 Å²	80	60.6 Å²	60.6	37%	0.374	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	154.8	175.5	-61	-169.6	-179.5	0	0	110.1	T515 I516 M529	T515-E523 CarbonylContact C-O 3.58Å; T515-E523 WeakPolarHBondContact CA-O 2.99Å; T515-E523 VanDerWaalsContact CB-O 3.22Å; T515-E523 WeakPolarHBondContact CB-O 3.5Å; I516-E523 HydrophobicContact CG2-CB 4.26Å; I516-E523 PolarHBondContact N-O 3.45Å; I516-E523 PolarHBondContact O-N 3.24Å; E523-M529 HydrophobicContact CB-CE 3.98Å; E523-M529 WeakPolarHBondContact OE2-CE 3.3Å
524	V	91.6	Very high	90.5	Very high	111 Å²	111	63.9 Å²	63.9	67%	0.673	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	136.4	178.5	178.9	0	0	0	0	109	D526	V524-D526 PolarHBondContact O-N 3.21Å
525	M	86.7	Confident	90.6	Very high	8 Å²	8	66.1 Å²	66.1	4%	0.039	35%	0.35	C	S	.	.			trans	-70.2	91.7	177.5	-169.9	72.4	72.5	0	0	110.7	L510 C513 G514 I516 M529 R530 F580	L510-M525 HydrophobicContact CD1-CE 3.87Å; L510-M525 HydrophobicContact CD1-SD 4.13Å; C513-M525 HydrophobicContact CB-CE 4.37Å; G514-M525 WeakPolarHBondContact O-CB 3.38Å; G514-M525 PolarHBondContact O-N 3.04Å; I516-M525 HydrophobicContact CB-CE 3.77Å; I516-M525 HydrophobicContact CB-SD 4.39Å; I516-M525 HydrophobicContact CD1-CE 4.26Å; I516-M525 HydrophobicContact CG1-CE 4.4Å; M525-M529 HydrophobicContact SD-CB 3.97Å; M525-R530 HydrophobicContact CG-CG 4.07Å; M525-R530 PolarHBondContact O-NH2 2.95Å; M525-R530 HydrophobicContact SD-CG 4.48Å; M525-F580 HydrophobicContact CE-CB 3.59Å; M525-F580 HydrophobicContact CE-CG 4.1Å
526	D	88.5	Confident	90.4	Very high	75 Å²	75	64.7 Å²	64.7	40%	0.401	34%	0.341	S	S	.	.			trans	-84.7	173.6	175.3	74.1	8.2	0	0	0	112.3	V524 S528 M529 R530	V524-D526 PolarHBondContact O-N 3.21Å; D526-S528 VanDerWaalsContact C-N 3.3Å; D526-S528 PolarHBondContact O-N 3.19Å; D526-S528 WeakPolarHBondContact OD1-CB 3.49Å; D526-S528 PolarHBondContact OD1-N 3.01Å; D526-M529 PolarHBondContact O-N 3.04Å; D526-M529 WeakPolarHBondContact OD1-CB 3.44Å; D526-M529 WeakPolarHBondContact OD1-CG 3.43Å; D526-M529 PolarHBondContact OD1-N 3.12Å; D526-R530 PolarHBondContact O-N 3.1Å; D526-R530 VanDerWaalsContact O-N 3.15Å
527	E	88.5	Confident	90.3	Very high	116 Å²	116	68 Å²	68	54%	0.542	35%	0.354	S	S	.	.	H	α-helix	trans	-68.3	-31.6	-177.3	-157.3	61.2	-165.3	0	0	112.5	R530 E531	E527-R530 PolarHBondContact O-N 3.05Å; E527-R530 IonicContact OE2-CZ 2.58Å; E527-R530 IonicContact OE2-NH1 3.56Å; E527-R530 PolarHBondContact OE2-NH1 3.29Å; E527-E531 WeakPolarHBondContact O-CG 3.45Å; E527-E531 PolarHBondContact O-N 2.82Å
528	S	90.2	Very high	90.1	Very high	65 Å²	65	73.7 Å²	73.7	46%	0.455	38%	0.383	S	S	.	.	H	α-helix	trans	-63	-43.5	175.3	177.2	0	0	0	0	111.6	D526 E531 N532	D526-S528 VanDerWaalsContact C-N 3.3Å; D526-S528 PolarHBondContact O-N 3.19Å; D526-S528 WeakPolarHBondContact OD1-CB 3.49Å; D526-S528 PolarHBondContact OD1-N 3.01Å; S528-E531 PolarHBondContact O-N 3.25Å; S528-N532 VanDerWaalsContact O-CG 3.31Å; S528-N532 PolarHBondContact O-N 3.16Å; S528-N532 PolarHBondContact O-ND2 3.27Å
529	M	87.3	Confident	90.1	Very high	26 Å²	26	77.5 Å²	77.5	13%	0.128	40%	0.4	C	S	.	.	H	α-helix	trans	-66.4	-36.8	175.2	-70.3	174.9	-168.6	0	0	112	I516 I518 E523 M525 D526 N532 F533	I516-M529 HydrophobicContact CG2-CE 4.33Å; I516-M529 HydrophobicContact CG2-SD 3.36Å; I516-M529 WeakPolarHBondContact CG2-SD 3.48Å; I518-M529 HydrophobicContact CD1-CE 3.72Å; I518-M529 HydrophobicContact CD1-SD 4.13Å; E523-M529 HydrophobicContact CB-CE 3.98Å; E523-M529 WeakPolarHBondContact OE2-CE 3.3Å; M525-M529 HydrophobicContact SD-CB 3.97Å; D526-M529 PolarHBondContact O-N 3.04Å; D526-M529 WeakPolarHBondContact OD1-CB 3.44Å; D526-M529 WeakPolarHBondContact OD1-CG 3.43Å; D526-M529 PolarHBondContact OD1-N 3.12Å; M529-N532 PolarHBondContact O-N 3.21Å; M529-F533 WeakPolarHBondContact O-CB 3.45Å; M529-F533 PolarHBondContact O-N 3.28Å
530	R	89.4	Confident	90.2	Very high	86 Å²	86	72.1 Å²	72.1	33%	0.325	37%	0.372	S	S	.	.	H	α-helix	trans	-64.2	-40.8	173.2	-70.1	-168	-175.8	96.6	13.2	112.2	L510 M525 D526 E527 F533 N534	L510-R530 HydrophobicContact CD2-CG 4.38Å; M525-R530 HydrophobicContact CG-CG 4.07Å; M525-R530 PolarHBondContact O-NH2 2.95Å; M525-R530 HydrophobicContact SD-CG 4.48Å; D526-R530 PolarHBondContact O-N 3.1Å; D526-R530 VanDerWaalsContact O-N 3.15Å; E527-R530 PolarHBondContact O-N 3.05Å; E527-R530 IonicContact OE2-CZ 2.58Å; E527-R530 IonicContact OE2-NH1 3.56Å; E527-R530 PolarHBondContact OE2-NH1 3.29Å; R530-F533 PolarHBondContact O-N 2.84Å; R530-N534 WeakPolarHBondContact O-CB 3.37Å; R530-N534 VanDerWaalsContact O-CG 3.31Å; R530-N534 PolarHBondContact O-N 2.78Å; R530-N534 PolarHBondContact O-ND2 3.14Å
531	E	90.8	Very high	90.2	Very high	121 Å²	121	71.8 Å²	71.8	57%	0.565	37%	0.368	S	S	*	.	H	α-helix	trans	-63.9	-43.7	175.3	-75.2	-179.9	178.1	0	0	111.9	E527 S528 N534 S535	E527-E531 WeakPolarHBondContact O-CG 3.45Å; E527-E531 PolarHBondContact O-N 2.82Å; S528-E531 PolarHBondContact O-N 3.25Å; E531-N534 PolarHBondContact O-N 3.28Å; E531-S535 WeakPolarHBondContact O-CB 3.35Å; E531-S535 PolarHBondContact O-N 3.41Å; E531-S535 PolarHBondContact O-OG 2.92Å
532	N	91.8	Very high	89.8	Confident	58 Å²	58	67.2 Å²	67.2	31%	0.31	36%	0.364	S	S	.	.	H	α-helix	trans	-63.9	-41.9	176	-69.4	-29.3	0	0	0	111.9	N391 S528 M529 S535 A536	N391-N532 PolarHBondContact ND2-ND2 2.73Å; N391-N532 VanDerWaalsContact OD1-CB 3.27Å; N391-N532 WeakPolarHBondContact OD1-CB 3.32Å; S528-N532 VanDerWaalsContact O-CG 3.31Å; S528-N532 PolarHBondContact O-N 3.16Å; S528-N532 PolarHBondContact O-ND2 3.27Å; M529-N532 PolarHBondContact O-N 3.21Å; N532-S535 PolarHBondContact O-N 3.13Å; N532-A536 WeakPolarHBondContact O-CB 3.33Å; N532-A536 PolarHBondContact O-N 3.12Å
533	F	92.4	Very high	89.6	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.009	35%	0.352	C	S	.	.	H	α-helix	trans	-58.7	-48.7	173.1	170.9	-83.8	0	0	0	111.5	W388 P506 L510 M529 R530 S535 A536 Y537 F580 L583	W388-F533 HydrophobicContact CE3-CD2 4.44Å; W388-F533 HydrophobicContact CH2-CB 4.03Å; W388-F533 HydrophobicContact CH2-CD2 4.27Å; W388-F533 HydrophobicContact CZ3-CB 4.48Å; W388-F533 AromaticContact CZ3-CD2 3.87Å; W388-F533 HydrophobicContact CZ3-CD2 3.87Å; P506-F533 HydrophobicContact CB-CE1 4.5Å; P506-F533 HydrophobicContact CB-CZ 3.78Å; L510-F533 HydrophobicContact CB-CE1 4.09Å; L510-F533 HydrophobicContact CB-CE2 4.47Å; L510-F533 HydrophobicContact CB-CZ 3.99Å; L510-F533 HydrophobicContact CD1-CD1 4.12Å; L510-F533 HydrophobicContact CD1-CD2 3.95Å; L510-F533 HydrophobicContact CD1-CE1 4.34Å; L510-F533 HydrophobicContact CD1-CE2 4.12Å; L510-F533 HydrophobicContact CD1-CG 3.93Å; L510-F533 HydrophobicContact CD1-CZ 4.33Å; L510-F533 HydrophobicContact CD2-CD1 3.57Å; L510-F533 HydrophobicContact CD2-CE1 3.71Å; L510-F533 HydrophobicContact CD2-CG 4.19Å; L510-F533 HydrophobicContact CD2-CZ 4.38Å; L510-F533 HydrophobicContact CG-CD1 4.3Å; L510-F533 HydrophobicContact CG-CE1 4.26Å; L510-F533 HydrophobicContact CG-CZ 4.46Å; M529-F533 WeakPolarHBondContact O-CB 3.45Å; M529-F533 PolarHBondContact O-N 3.28Å; R530-F533 PolarHBondContact O-N 2.84Å; F533-S535 VanDerWaalsContact C-N 3.29Å; F533-S535 PolarHBondContact O-N 2.73Å; F533-A536 PolarHBondContact O-N 3.16Å; F533-Y537 WeakPolarHBondContact O-CB 3.26Å; F533-Y537 PolarHBondContact O-N 3.45Å; F533-F580 HydrophobicContact CD2-CE1 4.29Å; F533-F580 HydrophobicContact CD2-CE2 4.35Å; F533-F580 AromaticContact CD2-CZ 3.93Å; F533-F580 HydrophobicContact CD2-CZ 3.93Å; F533-F580 HydrophobicContact CE2-CE1 4.29Å; F533-F580 AromaticContact CE2-CE2 3.69Å; F533-F580 HydrophobicContact CE2-CE2 3.69Å; F533-F580 AromaticContact CE2-CZ 3.49Å; F533-F580 HydrophobicContact CE2-CZ 3.49Å; F533-F580 VanDerWaalsContact CE2-CZ 3.49Å; F533-L583 HydrophobicContact CD2-CD1 4.14Å; F533-L583 HydrophobicContact CD2-CG 4.47Å; F533-L583 HydrophobicContact CE2-CD1 3.93Å; F533-L583 HydrophobicContact CE2-CD2 3.64Å; F533-L583 HydrophobicContact CE2-CG 3.98Å; F533-L583 HydrophobicContact CZ-CD2 4.05Å
534	N	91.4	Very high	89.2	Confident	78 Å²	78	61.4 Å²	61.4	42%	0.417	34%	0.341	S	S	.	.	H	α-helix	trans	-63.9	-38.2	-179.1	-77.7	-30.9	0	0	0	111.3	R530 E531 Y537 L538	R530-N534 WeakPolarHBondContact O-CB 3.37Å; R530-N534 VanDerWaalsContact O-CG 3.31Å; R530-N534 PolarHBondContact O-N 2.78Å; R530-N534 PolarHBondContact O-ND2 3.14Å; E531-N534 PolarHBondContact O-N 3.28Å; N534-Y537 PolarHBondContact O-N 3.14Å; N534-L538 WeakPolarHBondContact O-CB 3.33Å; N534-L538 VanDerWaalsContact O-CG 3.27Å; N534-L538 WeakPolarHBondContact O-CG 3.18Å; N534-L538 PolarHBondContact O-N 2.76Å
535	S	92.2	Very high	89.1	Confident	71 Å²	71	57 Å²	57	50%	0.497	31%	0.313	S	S	.	.	H	α-helix	trans	-63.1	-48.9	175.6	-57.9	0	0	0	0	111.2	E531 N532 F533 Y537 L538 E539	E531-S535 WeakPolarHBondContact O-CB 3.35Å; E531-S535 PolarHBondContact O-N 3.41Å; E531-S535 PolarHBondContact O-OG 2.92Å; N532-S535 PolarHBondContact O-N 3.13Å; F533-S535 VanDerWaalsContact C-N 3.29Å; F533-S535 PolarHBondContact O-N 2.73Å; S535-Y537 PolarHBondContact O-N 3.25Å; S535-L538 PolarHBondContact O-N 2.88Å; S535-E539 WeakPolarHBondContact O-CB 3.47Å; S535-E539 PolarHBondContact O-N 2.81Å
536	A	92.3	Very high	89.2	Confident	5 Å²	5	61.8 Å²	61.8	4%	0.041	33%	0.33	C	S	.	.	H	α-helix	trans	-63.5	-39.8	176.8	0	0	0	0	0	112.2	W388 I393 N532 F533 E539 L540	W388-A536 HydrophobicContact CD2-CB 4.33Å; W388-A536 HydrophobicContact CG-CB 4.02Å; I393-A536 HydrophobicContact CD1-CB 4.37Å; I393-A536 HydrophobicContact CG1-CB 4.49Å; N532-A536 WeakPolarHBondContact O-CB 3.33Å; N532-A536 PolarHBondContact O-N 3.12Å; F533-A536 PolarHBondContact O-N 3.16Å; A536-E539 PolarHBondContact O-N 3.46Å; A536-L540 WeakPolarHBondContact O-CB 3.42Å; A536-L540 VanDerWaalsContact O-CG 3.24Å; A536-L540 WeakPolarHBondContact O-CG 3.35Å; A536-L540 PolarHBondContact O-N 3.12Å
537	Y	91.9	Very high	89.4	Confident	79 Å²	79	58.8 Å²	58.8	31%	0.31	32%	0.315	S	S	.	.	H	α-helix	trans	-62.3	-44.6	176.3	170.2	-125.3	0	0	0	112.1	P506 F533 N534 S535 G541 V547	P506-Y537 HydrophobicContact CB-CD2 3.95Å; P506-Y537 HydrophobicContact CB-CE2 4.09Å; P506-Y537 HydrophobicContact CB-CG 4.45Å; P506-Y537 HydrophobicContact CG-CD2 3.92Å; P506-Y537 HydrophobicContact CG-CE2 3.8Å; F533-Y537 WeakPolarHBondContact O-CB 3.26Å; F533-Y537 PolarHBondContact O-N 3.45Å; N534-Y537 PolarHBondContact O-N 3.14Å; S535-Y537 PolarHBondContact O-N 3.25Å; Y537-G541 PolarHBondContact O-N 3.22Å; Y537-V547 HydrophobicContact CD2-CB 4.13Å; Y537-V547 HydrophobicContact CD2-CG1 4.28Å; Y537-V547 HydrophobicContact CD2-CG2 4.25Å; Y537-V547 HydrophobicContact CE2-CB 4.27Å; Y537-V547 HydrophobicContact CE2-CG2 4.47Å
538	L	89.1	Confident	89.7	Confident	124 Å²	124	54.4 Å²	54.4	65%	0.649	30%	0.295	S	S	*	.	H	α-helix	trans	-68.1	-36.6	177.2	-71.9	173.4	0	0	0	112.2	N534 S535 G542	N534-L538 WeakPolarHBondContact O-CB 3.33Å; N534-L538 VanDerWaalsContact O-CG 3.27Å; N534-L538 WeakPolarHBondContact O-CG 3.18Å; N534-L538 PolarHBondContact O-N 2.76Å; S535-L538 PolarHBondContact O-N 2.88Å; L538-G542 PolarHBondContact O-N 3.24Å
539	E	90.3	Very high	90	Very high	103 Å²	103	51.3 Å²	51.3	48%	0.481	27%	0.273	S	S	.	.	H	α-helix	trans	-64.6	-52	176.4	-178.6	170.6	-173.5	0	0	111.4	I393 S535 A536 G541 G542 M543	I393-E539 HydrophobicContact CD1-CG 4.2Å; I393-E539 WeakPolarHBondContact CD1-OE2 3.45Å; S535-E539 WeakPolarHBondContact O-CB 3.47Å; S535-E539 PolarHBondContact O-N 2.81Å; A536-E539 PolarHBondContact O-N 3.46Å; E539-G541 VanDerWaalsContact C-N 3.34Å; E539-G541 PolarHBondContact O-N 3.36Å; E539-G542 WeakPolarHBondContact O-CA 3.37Å; E539-G542 PolarHBondContact O-N 3.27Å; E539-G542 VanDerWaalsContact O-N 3.08Å; E539-M543 HydrophobicContact CG-CE 3.83Å; E539-M543 WeakPolarHBondContact O-CG 3.37Å; E539-M543 PolarHBondContact O-N 2.63Å
540	L	91.2	Very high	90.5	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-39.6	177.1	-65.7	176.7	0	0	0	112	H386 I393 A536 G542 M543 E545 V547	H386-L540 HydrophobicContact CB-CD2 3.55Å; I393-L540 HydrophobicContact CD1-CD2 4.35Å; I393-L540 HydrophobicContact CD1-CG 4.47Å; I393-L540 HydrophobicContact CG2-CD2 4.11Å; A536-L540 WeakPolarHBondContact O-CB 3.42Å; A536-L540 VanDerWaalsContact O-CG 3.24Å; A536-L540 WeakPolarHBondContact O-CG 3.35Å; A536-L540 PolarHBondContact O-N 3.12Å; L540-G542 VanDerWaalsContact C-N 3.32Å; L540-M543 HydrophobicContact CD2-SD 4.49Å; L540-M543 PolarHBondContact O-N 3.1Å; L540-E545 WeakPolarHBondContact O-CB 3.42Å; L540-E545 PolarHBondContact O-N 3.25Å; L540-V547 HydrophobicContact CB-CG2 3.61Å; L540-V547 HydrophobicContact CD1-CG1 4.27Å; L540-V547 HydrophobicContact CD1-CG2 4.48Å
541	G	85.2	Confident	90.8	Very high	30 Å²	30	46 Å²	46	31%	0.309	25%	0.252	S	S	.	.	H	α-helix	trans	-65.4	-35.2	173	0	0	0	0	0	112.9	Y537 E539 M543 G544	Y537-G541 PolarHBondContact O-N 3.22Å; E539-G541 VanDerWaalsContact C-N 3.34Å; E539-G541 PolarHBondContact O-N 3.36Å; G541-M543 VanDerWaalsContact C-N 3.27Å; G541-M543 PolarHBondContact O-N 3.28Å; G541-G544 PolarHBondContact O-N 2.98Å
542	G	83.4	Confident	91	Very high	54 Å²	54	40.2 Å²	40.2	56%	0.557	23%	0.225	S	C	*	.	H	α-helix	trans	-67.6	-25.7	175.3	0	0	0	0	0	113.6	L538 E539 L540 G544	L538-G542 PolarHBondContact O-N 3.24Å; E539-G542 WeakPolarHBondContact O-CA 3.37Å; E539-G542 PolarHBondContact O-N 3.27Å; E539-G542 VanDerWaalsContact O-N 3.08Å; L540-G542 VanDerWaalsContact C-N 3.32Å; G542-G544 PolarHBondContact O-N 3.3Å
543	M	85.3	Confident	91.2	Very high	65 Å²	65	40.8 Å²	40.8	32%	0.32	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	4.8	170	-63.9	177	-171	0	0	113	E539 L540 G541 E545 A621	E539-M543 HydrophobicContact CG-CE 3.83Å; E539-M543 WeakPolarHBondContact O-CG 3.37Å; E539-M543 PolarHBondContact O-N 2.63Å; L540-M543 HydrophobicContact CD2-SD 4.49Å; L540-M543 PolarHBondContact O-N 3.1Å; G541-M543 VanDerWaalsContact C-N 3.27Å; G541-M543 PolarHBondContact O-N 3.28Å; M543-E545 VanDerWaalsContact C-N 3.26Å; M543-E545 HydrophobicContact CB-CG 3.86Å; M543-E545 PolarHBondContact O-N 3.33Å; M543-A621 WeakPolarHBondContact O-CB 3.41Å
544	G	83	Confident	91.1	Very high	12 Å²	12	43 Å²	43	12%	0.124	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	19.5	179.5	0	0	0	0	0	113.6	G541 G542	G541-G544 PolarHBondContact O-N 2.98Å; G542-G544 PolarHBondContact O-N 3.3Å
545	E	90.3	Very high	91.2	Very high	20 Å²	20	39.3 Å²	39.3	9%	0.093	21%	0.212	C	C	.	.			trans	-95.7	146.1	-176.5	-48.7	-171.4	151.4	0	0	111.4	A385 H386 L540 M543 V547 S585 I587	A385-E545 WeakPolarHBondContact CB-OE1 3.47Å; H386-E545 IonicContact CE1-OE1 2.76Å; H386-E545 PolarHBondContact CE1-OE1 3Å; H386-E545 IonicContact CE1-OE2 2.7Å; H386-E545 IonicContact CG-OE2 3.33Å; H386-E545 IonicContact ND1-OE1 2.73Å; H386-E545 PolarHBondContact ND1-OE1 3.44Å; H386-E545 IonicContact ND1-OE2 3.81Å; H386-E545 PolarHBondContact ND1-OE2 3.42Å; L540-E545 WeakPolarHBondContact O-CB 3.42Å; L540-E545 PolarHBondContact O-N 3.25Å; M543-E545 VanDerWaalsContact C-N 3.26Å; M543-E545 HydrophobicContact CB-CG 3.86Å; M543-E545 PolarHBondContact O-N 3.33Å; E545-V547 PolarHBondContact O-N 2.8Å; E545-S585 WeakPolarHBondContact OE2-CB 3.43Å; E545-S585 PolarHBondContact OE2-OG 3.12Å; E545-I587 HydrophobicContact CG-CB 4.17Å; E545-I587 HydrophobicContact CG-CD1 4.14Å
546	R	88.7	Confident	91.1	Very high	107 Å²	107	38.1 Å²	38.1	40%	0.404	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	114.7	172.9	-177.8	176.4	-179.7	162.4	-1.2	109.2	E219 S585 M586	E219-R546 IonicContact OE1-CZ 3.71Å; E219-R546 IonicContact OE1-NH1 2.94Å; E219-R546 PolarHBondContact OE1-NH1 3.14Å; R546-S585 CarbonylContact O-C 3.56Å; R546-S585 VanDerWaalsContact O-CA 3.31Å; R546-S585 WeakPolarHBondContact O-CA 3.33Å; R546-M586 HydrophobicContact CB-CG 3.92Å; R546-M586 HydrophobicContact CG-CG 4.47Å; R546-M586 PolarHBondContact N-O 2.72Å; R546-M586 WeakPolarHBondContact O-CG 3.45Å; R546-M586 PolarHBondContact O-N 3.44Å
547	V	93.3	Very high	90.7	Very high	13 Å²	13	41 Å²	41	8%	0.079	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.9	-176.8	-166	0	0	0	0	111.3	P506 Y537 L540 E545 L583	P506-V547 WeakPolarHBondContact CD-O 3.33Å; P506-V547 HydrophobicContact CG-CB 3.9Å; P506-V547 HydrophobicContact CG-CG1 3.84Å; P506-V547 WeakPolarHBondContact CG-O 3.19Å; Y537-V547 HydrophobicContact CD2-CB 4.13Å; Y537-V547 HydrophobicContact CD2-CG1 4.28Å; Y537-V547 HydrophobicContact CD2-CG2 4.25Å; Y537-V547 HydrophobicContact CE2-CB 4.27Å; Y537-V547 HydrophobicContact CE2-CG2 4.47Å; L540-V547 HydrophobicContact CB-CG2 3.61Å; L540-V547 HydrophobicContact CD1-CG1 4.27Å; L540-V547 HydrophobicContact CD1-CG2 4.48Å; E545-V547 PolarHBondContact O-N 2.8Å; V547-L583 HydrophobicContact CG1-CB 3.96Å; V547-L583 HydrophobicContact CG1-CD1 4.22Å; V547-L583 HydrophobicContact CG1-CD2 3.86Å; V547-L583 HydrophobicContact CG1-CG 4.25Å
548	L	94.9	Very high	90.4	Very high	23 Å²	23	44.3 Å²	44.3	12%	0.12	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139.3	172	-66.1	179.1	0	0	0	110.9	L452 F550 L583 M584 M586	L452-L548 HydrophobicContact CD1-CD1 4.08Å; L548-F550 HydrophobicContact CB-CE2 3.68Å; L548-F550 HydrophobicContact CB-CZ 3.84Å; L548-F550 HydrophobicContact CD1-CZ 4.3Å; L548-F550 WeakPolarHBondContact O-CD2 3.26Å; L548-F550 VanDerWaalsContact O-CE2 3.3Å; L548-F550 WeakPolarHBondContact O-CE2 3.37Å; L548-L583 VanDerWaalsContact O-CA 3.31Å; L548-L583 WeakPolarHBondContact O-CA 3.46Å; L548-M584 PolarHBondContact N-O 2.87Å; L548-M584 PolarHBondContact O-N 3.45Å; L548-M586 HydrophobicContact CD1-CE 3.56Å; L548-M586 HydrophobicContact CG-CE 4.14Å
549	G	95.8	Very high	90.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	143.6	171.5	0	0	0	0	0	112.5	K503 G504	K503-G549 CarbonylContact C-O 3.46Å; K503-G549 WeakPolarHBondContact CA-O 3.31Å; G504-G549 PolarHBondContact N-O 3.13Å; G504-G549 VanDerWaalsContact N-O 3.08Å; G504-G549 PolarHBondContact O-N 3.19Å
550	F	97.1	Very high	90.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.6	-178.7	-61.9	-90.4	0	0	0	110.7	L417 I420 L452 K503 L548 V581 G582 M584	L417-F550 HydrophobicContact CD1-CB 3.51Å; L417-F550 HydrophobicContact CD1-CD2 3.94Å; L417-F550 HydrophobicContact CD1-CG 3.81Å; I420-F550 HydrophobicContact CB-CD1 4.34Å; I420-F550 HydrophobicContact CD1-CB 4.12Å; I420-F550 HydrophobicContact CG2-CB 4.08Å; I420-F550 HydrophobicContact CG2-CD1 3.64Å; I420-F550 HydrophobicContact CG2-CG 4.34Å; L452-F550 HydrophobicContact CD1-CE1 4.14Å; L452-F550 HydrophobicContact CD1-CZ 3.95Å; L452-F550 HydrophobicContact CD2-CE1 4.22Å; L452-F550 HydrophobicContact CD2-CZ 3.62Å; L452-F550 HydrophobicContact CG-CZ 4.46Å; K503-F550 HydrophobicContact CB-CD1 3.66Å; K503-F550 HydrophobicContact CB-CE1 3.69Å; K503-F550 HydrophobicContact CD-CE1 4.06Å; L548-F550 HydrophobicContact CB-CE2 3.68Å; L548-F550 HydrophobicContact CB-CZ 3.84Å; L548-F550 HydrophobicContact CD1-CZ 4.3Å; L548-F550 WeakPolarHBondContact O-CD2 3.26Å; L548-F550 VanDerWaalsContact O-CE2 3.3Å; L548-F550 WeakPolarHBondContact O-CE2 3.37Å; F550-V581 PolarHBondContact O-N 3.11Å; F550-G582 PolarHBondContact N-O 3.39Å; F550-G582 PolarHBondContact O-N 3.43Å; F550-M584 HydrophobicContact CD2-CB 4.45Å; F550-M584 HydrophobicContact CD2-CG 4.13Å; F550-M584 HydrophobicContact CE2-CB 3.63Å; F550-M584 HydrophobicContact CE2-CG 3.64Å; F550-M584 HydrophobicContact CE2-SD 4.21Å; F550-M584 HydrophobicContact CZ-CB 4.27Å; F550-M584 HydrophobicContact CZ-CG 4.24Å; F550-M584 HydrophobicContact CZ-SD 4.23Å
551	C	96.7	Very high	90	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156.4	174.4	65.8	0	0	0	0	111.6	M502 I509 C513 L578 R579	M502-C551 PolarHBondContact N-O 3.46Å; M502-C551 PolarHBondContact O-N 2.99Å; I509-C551 HydrophobicContact CG2-CB 3.95Å; C513-C551 WeakPolarHBondContact SG-CB 3.2Å; C551-L578 HydrophobicContact CB-CB 4.38Å; C551-R579 CarbonylContact C-O 3.43Å; C551-R579 WeakPolarHBondContact CA-O 3.32Å; C551-R579 WeakPolarHBondContact CB-O 3.28Å
552	D	95.6	Very high	89.8	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	167.9	173.8	69.5	1.7	0	0	0	111.7	R419 I420 L499 L500 V501 R579	R419-D552 IonicContact CZ-OD2 2.68Å; R419-D552 IonicContact NH2-OD2 3.59Å; R419-D552 PolarHBondContact NH2-OD2 3.4Å; I420-D552 HydrophobicContact CD1-CB 3.91Å; I420-D552 HydrophobicContact CG1-CB 4.05Å; L499-D552 HydrophobicContact CD1-CB 4.19Å; L500-D552 CarbonylContact O-C 3.58Å; L500-D552 VanDerWaalsContact O-CA 3.23Å; L500-D552 WeakPolarHBondContact O-CA 3.34Å; L500-D552 WeakPolarHBondContact O-CB 3.29Å; V501-D552 HydrophobicContact CG1-CB 4.2Å; D552-R579 PolarHBondContact N-O 3.17Å; D552-R579 WeakPolarHBondContact O-CA 3.48Å; D552-R579 WeakPolarHBondContact O-CB 3.44Å; D552-R579 PolarHBondContact O-N 3.19Å; D552-R579 IonicContact OD1-CZ 3.58Å; D552-R579 IonicContact OD1-NE 2.79Å; D552-R579 PolarHBondContact OD1-NE 3.19Å; D552-R579 IonicContact OD1-NH2 3.43Å; D552-R579 PolarHBondContact OD1-NH2 3.07Å; D552-R579 IonicContact OD2-CZ 3.99Å; D552-R579 IonicContact OD2-NH2 3.69Å; D552-R579 PolarHBondContact OD2-NH2 3Å
553	Y	94.7	Very high	89.7	Confident	69 Å²	69	51 Å²	51	27%	0.271	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	130.8	174.7	-170.8	-108.9	0	0	0	110.3	L500 L555 P574 L578	L500-Y553 PolarHBondContact N-O 2.87Å; L500-Y553 PolarHBondContact O-N 3.17Å; Y553-L555 HydrophobicContact CD1-CD2 3.9Å; Y553-L555 HydrophobicContact CE1-CD2 4.12Å; Y553-P574 HydrophobicContact CD1-CG 3.9Å; Y553-P574 HydrophobicContact CE1-CG 3.74Å; Y553-L578 HydrophobicContact CD1-CD2 4.44Å; Y553-L578 HydrophobicContact CG-CD2 3.98Å
554	R	91.8	Very high	89.8	Confident	50 Å²	50	51.1 Å²	51.1	19%	0.189	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	112.6	173.6	-71	-170.9	177.5	-102.3	-0.6	109.2	D493 D495 R497 L499	D493-R554 IonicContact OD2-NH2 2.83Å; D493-R554 PolarHBondContact OD2-NH2 2.86Å; D493-R554 VanDerWaalsContact OD2-NH2 3.09Å; D495-R554 WeakPolarHBondContact OD2-CD 3.39Å; D495-R554 IonicContact OD2-CZ 2.98Å; D495-R554 IonicContact OD2-NE 2.69Å; D495-R554 PolarHBondContact OD2-NE 3.41Å; D495-R554 IonicContact OD2-NH1 3.01Å; D495-R554 PolarHBondContact OD2-NH1 2.99Å; R497-R554 HydrophobicContact CB-CB 4.39Å; R497-R554 VanDerWaalsContact NH2-CD 3.35Å; L499-R554 HydrophobicContact CD1-CG 4.01Å
555	L	91.6	Very high	90	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.286	C	S	.	.			trans	-67.5	132	-176.6	-69.2	173.3	0	0	0	111	I488 R497 Y498 L500 Y553 L557 Y560 F566 P574	I488-L555 HydrophobicContact CD1-CD1 4.41Å; I488-L555 HydrophobicContact CG2-CD1 4.17Å; R497-L555 WeakPolarHBondContact CB-O 3.24Å; R497-L555 VanDerWaalsContact CD-O 3.29Å; R497-L555 WeakPolarHBondContact CD-O 3.47Å; R497-L555 WeakPolarHBondContact CG-O 3.45Å; Y498-L555 PolarHBondContact O-N 2.76Å; L500-L555 HydrophobicContact CB-CG 4.45Å; L500-L555 HydrophobicContact CD1-CD2 4.47Å; Y553-L555 HydrophobicContact CD1-CD2 3.9Å; Y553-L555 HydrophobicContact CE1-CD2 4.12Å; L555-L557 PolarHBondContact O-N 3.34Å; L555-Y560 HydrophobicContact CB-CD2 3.69Å; L555-Y560 HydrophobicContact CB-CE2 4.32Å; L555-Y560 HydrophobicContact CB-CG 4.03Å; L555-Y560 HydrophobicContact CD1-CD1 4.46Å; L555-Y560 HydrophobicContact CD1-CG 4.32Å; L555-Y560 HydrophobicContact CD2-CD2 4.11Å; L555-Y560 HydrophobicContact CD2-CE2 3.9Å; L555-Y560 HydrophobicContact CG-CD2 4.34Å; L555-F566 HydrophobicContact CD1-CE1 3.68Å; L555-F566 HydrophobicContact CD1-CZ 3.79Å; L555-P574 HydrophobicContact CD2-CG 3.55Å
556	P	90.1	Very high	89.9	Confident	46 Å²	46	55.8 Å²	55.8	30%	0.299	29%	0.287	S	S	.	.			trans	-59.9	128.6	-178.7	-25.1	33.4	0	0	0	113.3	D558 T559 Y560	P556-D558 PolarHBondContact O-N 2.9Å; P556-T559 PolarHBondContact O-N 2.88Å; P556-T559 VanDerWaalsContact O-N 3.15Å; P556-Y560 WeakPolarHBondContact O-CD2 3.4Å; P556-Y560 PolarHBondContact O-N 2.79Å
557	L	85.5	Confident	89.9	Confident	64 Å²	64	53.7 Å²	53.7	34%	0.335	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.3	178.6	-92	148.5	0	0	0	113.2	E496 R497 L555 T559	E496-L557 HydrophobicContact CB-CD1 4.34Å; E496-L557 HydrophobicContact CB-CD2 3.91Å; R497-L557 HydrophobicContact CG-CB 4.36Å; R497-L557 HydrophobicContact CG-CD1 3.53Å; R497-L557 HydrophobicContact CG-CG 3.56Å; L555-L557 PolarHBondContact O-N 3.34Å; L557-T559 PolarHBondContact O-N 3.18Å
558	D	85.9	Confident	89.4	Confident	150 Å²	150	55.3 Å²	55.3	80%	0.802	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-33.4	-178.7	-60.5	-35.1	0	0	0	112.4	P556	P556-D558 PolarHBondContact O-N 2.9Å
559	T	87.7	Confident	88.7	Confident	81 Å²	81	61.5 Å²	61.5	50%	0.497	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-41.2	-177.9	-51.2	0	0	0	0	111.8	P556 L557	P556-T559 PolarHBondContact O-N 2.88Å; P556-T559 VanDerWaalsContact O-N 3.15Å; L557-T559 PolarHBondContact O-N 3.18Å
560	Y	88.2	Confident	88.1	Confident	27 Å²	27	68.7 Å²	68.7	11%	0.106	36%	0.361	C	S	.	.	S	Bend	trans	-114.4	74.6	-172.7	-54.8	-84.1	0	0	0	110.6	L555 P556 Y564 F566 N572 F573 P574	L555-Y560 HydrophobicContact CB-CD2 3.69Å; L555-Y560 HydrophobicContact CB-CE2 4.32Å; L555-Y560 HydrophobicContact CB-CG 4.03Å; L555-Y560 HydrophobicContact CD1-CD1 4.46Å; L555-Y560 HydrophobicContact CD1-CG 4.32Å; L555-Y560 HydrophobicContact CD2-CD2 4.11Å; L555-Y560 HydrophobicContact CD2-CE2 3.9Å; L555-Y560 HydrophobicContact CG-CD2 4.34Å; P556-Y560 WeakPolarHBondContact O-CD2 3.4Å; P556-Y560 PolarHBondContact O-N 2.79Å; Y560-Y564 AromaticContact CD1-CD1 3.73Å; Y560-Y564 HydrophobicContact CD1-CD1 3.73Å; Y560-Y564 HydrophobicContact CD1-CD2 4.35Å; Y560-Y564 AromaticContact CD1-CE1 3.66Å; Y560-Y564 HydrophobicContact CD1-CE1 3.66Å; Y560-Y564 HydrophobicContact CD1-CE2 4.3Å; Y560-Y564 HydrophobicContact CD1-CG 4.07Å; Y560-Y564 AromaticContact CD1-CZ 3.98Å; Y560-Y564 HydrophobicContact CE1-CD1 4.35Å; Y560-Y564 AromaticContact CE1-CE1 3.83Å; Y560-Y564 HydrophobicContact CE1-CE1 3.83Å; Y560-F566 AromaticContact CD1-CE1 3.74Å; Y560-F566 HydrophobicContact CD1-CE1 3.74Å; Y560-F566 HydrophobicContact CD1-CZ 4.21Å; Y560-F566 HydrophobicContact CE1-CE1 4.21Å; Y560-N572 WeakPolarHBondContact CE1-O 3.37Å; Y560-F573 HydrophobicContact CE1-CB 4.27Å; Y560-P574 VanDerWaalsContact OH-CD 3.3Å; Y560-P574 WeakPolarHBondContact OH-CD 3.27Å
561	K	84.8	Confident	87.4	Confident	146 Å²	146	71.4 Å²	71.4	64%	0.635	38%	0.378	S	S	*	.			trans	-66.7	154.9	176.3	-64.5	-177.6	-179	179.5	0	111.4	Y498 G563 Y564	Y498-K561 WeakPolarHBondContact CE2-O 3.43Å; K561-G563 PolarHBondContact O-N 3.39Å; K561-Y564 VanDerWaalsContact O-CB 3.27Å; K561-Y564 WeakPolarHBondContact O-CB 3.36Å; K561-Y564 PolarHBondContact O-N 2.91Å
562	K	81.4	Confident	87	Confident	132 Å²	132	73.9 Å²	73.9	57%	0.574	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	127	173.5	-75.2	179.9	174.7	168.9	0	110.7	E496 Y498	E496-K562 IonicContact OE1-NZ 3.73Å; E496-K562 PolarHBondContact OE1-NZ 2.71Å; Y498-K562 WeakPolarHBondContact OH-CA 3.3Å
563	G	82.6	Confident	86.8	Confident	65 Å²	65	74.3 Å²	74.3	67%	0.67	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	10.2	-173.9	0	0	0	0	0	115.3	Y498 K561	Y498-G563 PolarHBondContact OH-N 2.94Å; K561-G563 PolarHBondContact O-N 3.39Å
564	Y	87.2	Confident	86.6	Confident	68 Å²	68	72.5 Å²	72.5	27%	0.267	39%	0.39	S	S	.	.			trans	-60.3	127.4	176.3	-173.4	-92.2	0	0	0	111.4	Y560 K561 F566 N572	Y560-Y564 AromaticContact CD1-CD1 3.73Å; Y560-Y564 HydrophobicContact CD1-CD1 3.73Å; Y560-Y564 HydrophobicContact CD1-CD2 4.35Å; Y560-Y564 AromaticContact CD1-CE1 3.66Å; Y560-Y564 HydrophobicContact CD1-CE1 3.66Å; Y560-Y564 HydrophobicContact CD1-CE2 4.3Å; Y560-Y564 HydrophobicContact CD1-CG 4.07Å; Y560-Y564 AromaticContact CD1-CZ 3.98Å; Y560-Y564 HydrophobicContact CE1-CD1 4.35Å; Y560-Y564 AromaticContact CE1-CE1 3.83Å; Y560-Y564 HydrophobicContact CE1-CE1 3.83Å; K561-Y564 VanDerWaalsContact O-CB 3.27Å; K561-Y564 WeakPolarHBondContact O-CB 3.36Å; K561-Y564 PolarHBondContact O-N 2.91Å; Y564-F566 AromaticContact CD1-CD1 3.8Å; Y564-F566 HydrophobicContact CD1-CD1 3.8Å; Y564-F566 HydrophobicContact CD1-CD2 4.38Å; Y564-F566 AromaticContact CD1-CE1 3.71Å; Y564-F566 HydrophobicContact CD1-CE1 3.71Å; Y564-F566 HydrophobicContact CD1-CE2 4.31Å; Y564-F566 HydrophobicContact CD1-CG 4.15Å; Y564-F566 AromaticContact CD1-CZ 3.99Å; Y564-F566 HydrophobicContact CD1-CZ 3.99Å; Y564-F566 HydrophobicContact CE1-CD1 4.08Å; Y564-F566 HydrophobicContact CE1-CE1 4.18Å; Y564-F566 WeakPolarHBondContact O-CD2 3.27Å; Y564-F566 PolarHBondContact O-N 2.99Å; Y564-F566 VanDerWaalsContact O-N 3.14Å; Y564-N572 VanDerWaalsContact CE1-ND2 3.3Å; Y564-N572 WeakPolarHBondContact CE1-ND2 3.41Å; Y564-N572 PolarHBondContact OH-ND2 2.83Å
565	P	86.5	Confident	86.5	Confident	101 Å²	101	71.8 Å²	71.8	66%	0.656	39%	0.39	S	S	*	.			trans	-78.9	98.9	-179.5	31	-33.2	0	0	0	110.5	N572	P565-N572 PolarHBondContact O-ND2 2.8Å
566	F	89	Confident	86.5	Confident	28 Å²	28	75.6 Å²	75.6	12%	0.123	41%	0.413	C	S	.	.			trans	-73	127.4	174.4	-65.6	-75.6	0	0	0	111	V473 A474 I488 Y498 L555 Y560 Y564 N572 F573	V473-F566 HydrophobicContact CB-CD2 4.45Å; V473-F566 HydrophobicContact CG1-CD2 3.77Å; V473-F566 HydrophobicContact CG1-CE2 4.21Å; A474-F566 HydrophobicContact CB-CB 3.72Å; A474-F566 HydrophobicContact CB-CG 4.35Å; I488-F566 HydrophobicContact CD1-CB 4.49Å; I488-F566 HydrophobicContact CD1-CD1 3.5Å; I488-F566 VanDerWaalsContact CD1-CD1 3.5Å; I488-F566 HydrophobicContact CD1-CD2 4.47Å; I488-F566 HydrophobicContact CD1-CE1 3.72Å; I488-F566 HydrophobicContact CD1-CG 3.9Å; I488-F566 HydrophobicContact CD1-CZ 4.3Å; I488-F566 HydrophobicContact CG2-CD2 4.39Å; I488-F566 HydrophobicContact CG2-CE1 4.34Å; I488-F566 HydrophobicContact CG2-CE2 3.91Å; I488-F566 HydrophobicContact CG2-CZ 3.88Å; Y498-F566 HydrophobicContact CD1-CE2 4.06Å; Y498-F566 HydrophobicContact CD1-CZ 4.38Å; Y498-F566 HydrophobicContact CD2-CE2 4.06Å; Y498-F566 AromaticContact CD2-CZ 3.84Å; Y498-F566 HydrophobicContact CD2-CZ 3.84Å; Y498-F566 HydrophobicContact CE1-CE2 4.11Å; Y498-F566 HydrophobicContact CE2-CE2 4.13Å; Y498-F566 HydrophobicContact CE2-CZ 4.29Å; Y498-F566 HydrophobicContact CG-CE2 4.04Å; Y498-F566 AromaticContact CG-CZ 3.91Å; Y498-F566 HydrophobicContact CG-CZ 3.91Å; L555-F566 HydrophobicContact CD1-CE1 3.68Å; L555-F566 HydrophobicContact CD1-CZ 3.79Å; Y560-F566 AromaticContact CD1-CE1 3.74Å; Y560-F566 HydrophobicContact CD1-CE1 3.74Å; Y560-F566 HydrophobicContact CD1-CZ 4.21Å; Y560-F566 HydrophobicContact CE1-CE1 4.21Å; Y564-F566 AromaticContact CD1-CD1 3.8Å; Y564-F566 HydrophobicContact CD1-CD1 3.8Å; Y564-F566 HydrophobicContact CD1-CD2 4.38Å; Y564-F566 AromaticContact CD1-CE1 3.71Å; Y564-F566 HydrophobicContact CD1-CE1 3.71Å; Y564-F566 HydrophobicContact CD1-CE2 4.31Å; Y564-F566 HydrophobicContact CD1-CG 4.15Å; Y564-F566 AromaticContact CD1-CZ 3.99Å; Y564-F566 HydrophobicContact CD1-CZ 3.99Å; Y564-F566 HydrophobicContact CE1-CD1 4.08Å; Y564-F566 HydrophobicContact CE1-CE1 4.18Å; Y564-F566 WeakPolarHBondContact O-CD2 3.27Å; Y564-F566 PolarHBondContact O-N 2.99Å; Y564-F566 VanDerWaalsContact O-N 3.14Å; F566-N572 WeakPolarHBondContact CA-OD1 3.44Å; F566-F573 HydrophobicContact CD1-CB 4.33Å; F566-F573 AromaticContact CD1-CD1 3.81Å; F566-F573 HydrophobicContact CD1-CD1 3.81Å; F566-F573 HydrophobicContact CD1-CG 4.39Å; F566-F573 HydrophobicContact CE1-CB 4.39Å
567	N	86.8	Confident	86.6	Confident	64 Å²	64	79 Å²	79	34%	0.342	43%	0.429	S	S	.	.			trans	-103	124.9	173.9	-173	-11.3	0	0	0	109.4	D569 E570 P571 N572 F573	N567-D569 PolarHBondContact OD1-N 2.8Å; N567-E570 CarbonylContact O-C 3.56Å; N567-E570 PolarHBondContact OD1-N 2.9Å; N567-P571 WeakPolarHBondContact O-CA 3.26Å; N567-N572 PolarHBondContact N-OD1 3.09Å; N567-F573 WeakPolarHBondContact O-CE1 3.32Å
568	V	84	Confident	87	Confident	47 Å²	47	76 Å²	76	29%	0.285	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-34.3	-177.4	164.1	0	0	0	0	112.2	A474 E475 I476	A474-V568 HydrophobicContact CB-CG2 4.13Å; E475-V568 WeakPolarHBondContact O-CG2 3.17Å; I476-V568 HydrophobicContact CG1-CG1 3.87Å
569	D	80.5	Confident	87.5	Confident	153 Å²	153	70.1 Å²	70.1	82%	0.818	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-39.4	-178	-63	-40.4	0	0	0	110.9	N567	N567-D569 PolarHBondContact OD1-N 2.8Å
570	E	82.8	Confident	87.9	Confident	151 Å²	151	66.3 Å²	66.3	71%	0.706	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.5	91.6	170.5	-68.9	-177.2	177.7	0	0	108.8	N567 N572	N567-E570 CarbonylContact O-C 3.56Å; N567-E570 PolarHBondContact OD1-N 2.9Å; E570-N572 PolarHBondContact O-N 2.77Å
571	P	82.4	Confident	88.2	Confident	57 Å²	57	65.1 Å²	65.1	37%	0.37	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	106.6	-173.5	-29.2	36.2	0	0	0	112.9	I476 N567 F573 L575	I476-P571 HydrophobicContact CD1-CG 4.48Å; N567-P571 WeakPolarHBondContact O-CA 3.26Å; P571-F573 HydrophobicContact CB-CE1 4.35Å; P571-F573 HydrophobicContact CB-CE2 4.28Å; P571-F573 HydrophobicContact CB-CZ 4.12Å; P571-F573 PolarHBondContact O-N 2.74Å; P571-L575 HydrophobicContact CB-CD1 3.83Å; P571-L575 HydrophobicContact CB-CG 4.28Å; P571-L575 HydrophobicContact CG-CD1 3.98Å
572	N	88.8	Confident	88.7	Confident	51 Å²	51	58.1 Å²	58.1	27%	0.273	32%	0.322	S	S	.	.			trans	-91.7	26.2	176.9	66.9	-16.5	0	0	0	113	Y560 Y564 P565 F566 N567 E570	Y560-N572 WeakPolarHBondContact CE1-O 3.37Å; Y564-N572 VanDerWaalsContact CE1-ND2 3.3Å; Y564-N572 WeakPolarHBondContact CE1-ND2 3.41Å; Y564-N572 PolarHBondContact OH-ND2 2.83Å; P565-N572 PolarHBondContact O-ND2 2.8Å; F566-N572 WeakPolarHBondContact CA-OD1 3.44Å; N567-N572 PolarHBondContact N-OD1 3.09Å; E570-N572 PolarHBondContact O-N 2.77Å
573	F	90.7	Very high	89.4	Confident	10 Å²	10	51.9 Å²	51.9	4%	0.044	29%	0.294	C	S	.	.	S	Bend	trans	-141	156.1	-177.8	49	-93.8	0	0	0	110	I476 L486 I488 L500 Y560 F566 N567 P571 L575	I476-F573 HydrophobicContact CD1-CE2 4.32Å; I476-F573 HydrophobicContact CD1-CZ 3.97Å; I476-F573 HydrophobicContact CG1-CZ 4.46Å; L486-F573 HydrophobicContact CD1-CD2 4.49Å; L486-F573 HydrophobicContact CD1-CE2 3.93Å; L486-F573 HydrophobicContact CD2-CE2 3.54Å; L486-F573 HydrophobicContact CD2-CZ 3.81Å; L486-F573 HydrophobicContact CG-CE2 4.43Å; I488-F573 HydrophobicContact CD1-CB 4.37Å; I488-F573 HydrophobicContact CD1-CD1 3.82Å; I488-F573 HydrophobicContact CD1-CD2 4.03Å; I488-F573 HydrophobicContact CD1-CE1 4.02Å; I488-F573 HydrophobicContact CD1-CE2 4.23Å; I488-F573 HydrophobicContact CD1-CG 3.8Å; I488-F573 HydrophobicContact CD1-CZ 4.22Å; L500-F573 HydrophobicContact CD1-CD2 3.92Å; Y560-F573 HydrophobicContact CE1-CB 4.27Å; F566-F573 HydrophobicContact CD1-CB 4.33Å; F566-F573 AromaticContact CD1-CD1 3.81Å; F566-F573 HydrophobicContact CD1-CD1 3.81Å; F566-F573 HydrophobicContact CD1-CG 4.39Å; F566-F573 HydrophobicContact CE1-CB 4.39Å; N567-F573 WeakPolarHBondContact O-CE1 3.32Å; P571-F573 HydrophobicContact CB-CE1 4.35Å; P571-F573 HydrophobicContact CB-CE2 4.28Å; P571-F573 HydrophobicContact CB-CZ 4.12Å; P571-F573 PolarHBondContact O-N 2.74Å; F573-L575 HydrophobicContact CD2-CD2 4.17Å; F573-L575 HydrophobicContact CE2-CD2 3.79Å; F573-L575 PolarHBondContact O-N 3.3Å
574	P	90.9	Very high	89.9	Confident	32 Å²	32	48.8 Å²	48.8	21%	0.208	26%	0.262	C	S	.	.			trans	-63.8	132.1	-176.3	25.3	-35.6	0	0	0	112.3	L500 Y553 L555 Y560	L500-P574 WeakPolarHBondContact CD1-O 3.44Å; Y553-P574 HydrophobicContact CD1-CG 3.9Å; Y553-P574 HydrophobicContact CE1-CG 3.74Å; L555-P574 HydrophobicContact CD2-CG 3.55Å; Y560-P574 VanDerWaalsContact OH-CD 3.3Å; Y560-P574 WeakPolarHBondContact OH-CD 3.27Å
575	L	90.2	Very high	90.2	Very high	34 Å²	34	45.5 Å²	45.5	18%	0.178	25%	0.25	C	C	.	.			trans	-111.1	4.9	172.6	-65.8	178	0	0	0	113	L486 M502 R512 P571 F573	L486-L575 HydrophobicContact CD1-CD2 3.95Å; M502-L575 HydrophobicContact CE-CD2 4.09Å; R512-L575 WeakPolarHBondContact CD-O 3.36Å; R512-L575 WeakPolarHBondContact CG-O 3.07Å; R512-L575 PolarHBondContact NH1-O 3.44Å; R512-L575 VanDerWaalsContact NH1-O 3.12Å; P571-L575 HydrophobicContact CB-CD1 3.83Å; P571-L575 HydrophobicContact CB-CG 4.28Å; P571-L575 HydrophobicContact CG-CD1 3.98Å; F573-L575 HydrophobicContact CD2-CD2 4.17Å; F573-L575 HydrophobicContact CE2-CD2 3.79Å; F573-L575 PolarHBondContact O-N 3.3Å
576	T	91.5	Very high	90.5	Very high	81 Å²	81	40.8 Å²	40.8	50%	0.497	22%	0.219	S	C	.	.	S	Bend	trans	-138.9	162.8	-177	55.2	0	0	0	0	109.4	R512 L578	R512-T576 CarbonylContact O-C 3.55Å; R512-T576 WeakPolarHBondContact O-CA 3.42Å; T576-L578 PolarHBondContact O-N 3.35Å
577	N	91.2	Very high	90.6	Very high	117 Å²	117	40.2 Å²	40.2	63%	0.626	22%	0.217	S	C	*	.	S	Bend	trans	58.1	35	-173.3	-62.8	-20.1	0	0	0	113.2	R512	R512-N577 PolarHBondContact O-N 2.82Å
578	L	95	Very high	90.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	168.5	172.5	-52.4	178.7	0	0	0	110.3	L500 M502 R512 C513 G514 T515 C551 Y553 T576	L500-L578 HydrophobicContact CD2-CD1 4.24Å; L500-L578 HydrophobicContact CD2-CD2 3.99Å; M502-L578 HydrophobicContact CE-CD1 3.74Å; M502-L578 HydrophobicContact SD-CD1 3.96Å; R512-L578 HydrophobicContact CB-CD1 4.45Å; R512-L578 PolarHBondContact O-N 2.76Å; C513-L578 CarbonylContact C-O 3.41Å; C513-L578 WeakPolarHBondContact CA-O 3.43Å; G514-L578 PolarHBondContact N-O 2.58Å; T515-L578 PolarHBondContact N-O 3.45Å; C551-L578 HydrophobicContact CB-CB 4.38Å; Y553-L578 HydrophobicContact CD1-CD2 4.44Å; Y553-L578 HydrophobicContact CG-CD2 3.98Å; T576-L578 PolarHBondContact O-N 3.35Å
579	R	94.9	Very high	90.9	Very high	28 Å²	28	35.7 Å²	35.7	11%	0.106	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	114.2	175.5	-179.3	179.2	67.9	166.2	14.3	110	T515 L517 E522 C551 D552	T515-R579 CarbonylContact O-C 3.51Å; T515-R579 WeakPolarHBondContact O-CA 3.42Å; L517-R579 HydrophobicContact CB-CG 4.45Å; E522-R579 VanDerWaalsContact OE1-CD 3.23Å; E522-R579 WeakPolarHBondContact OE1-CD 3.49Å; E522-R579 IonicContact OE1-CZ 2.95Å; E522-R579 IonicContact OE1-NE 2.66Å; E522-R579 IonicContact OE1-NH1 2.81Å; E522-R579 PolarHBondContact OE1-NH1 3.46Å; C551-R579 CarbonylContact C-O 3.43Å; C551-R579 WeakPolarHBondContact CA-O 3.32Å; C551-R579 WeakPolarHBondContact CB-O 3.28Å; D552-R579 PolarHBondContact N-O 3.17Å; D552-R579 WeakPolarHBondContact O-CA 3.48Å; D552-R579 WeakPolarHBondContact O-CB 3.44Å; D552-R579 PolarHBondContact O-N 3.19Å; D552-R579 IonicContact OD1-CZ 3.58Å; D552-R579 IonicContact OD1-NE 2.79Å; D552-R579 PolarHBondContact OD1-NE 3.19Å; D552-R579 IonicContact OD1-NH2 3.43Å; D552-R579 PolarHBondContact OD1-NH2 3.07Å; D552-R579 IonicContact OD2-CZ 3.99Å; D552-R579 IonicContact OD2-NH2 3.69Å; D552-R579 PolarHBondContact OD2-NH2 3Å
580	F	96.3	Very high	91.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	135.1	173.5	-167.6	-87.8	0	0	0	110.1	W388 I509 C513 T515 I516 L517 M525 F533 G582 L583	W388-F580 AromaticContact CE3-CE1 3.91Å; W388-F580 HydrophobicContact CE3-CE1 3.91Å; W388-F580 HydrophobicContact CZ3-CD1 4.14Å; W388-F580 AromaticContact CZ3-CE1 3.49Å; W388-F580 HydrophobicContact CZ3-CE1 3.49Å; W388-F580 VanDerWaalsContact CZ3-CE1 3.49Å; W388-F580 HydrophobicContact CZ3-CZ 4.3Å; I509-F580 HydrophobicContact CG2-CD2 3.96Å; I509-F580 HydrophobicContact CG2-CE2 3.9Å; C513-F580 HydrophobicContact CB-CB 3.82Å; T515-F580 PolarHBondContact O-N 3.33Å; I516-F580 CarbonylContact C-O 3.58Å; I516-F580 VanDerWaalsContact CA-O 3.32Å; I516-F580 WeakPolarHBondContact CA-O 3.39Å; I516-F580 HydrophobicContact CB-CB 4.35Å; I516-F580 HydrophobicContact CD1-CD1 3.88Å; I516-F580 HydrophobicContact CG1-CB 4.28Å; I516-F580 HydrophobicContact CG1-CD1 4.03Å; L517-F580 PolarHBondContact N-O 2.88Å; M525-F580 HydrophobicContact CE-CB 3.59Å; M525-F580 HydrophobicContact CE-CG 4.1Å; F533-F580 HydrophobicContact CD2-CE1 4.29Å; F533-F580 HydrophobicContact CD2-CE2 4.35Å; F533-F580 AromaticContact CD2-CZ 3.93Å; F533-F580 HydrophobicContact CD2-CZ 3.93Å; F533-F580 HydrophobicContact CE2-CE1 4.29Å; F533-F580 AromaticContact CE2-CE2 3.69Å; F533-F580 HydrophobicContact CE2-CE2 3.69Å; F533-F580 AromaticContact CE2-CZ 3.49Å; F533-F580 HydrophobicContact CE2-CZ 3.49Å; F533-F580 VanDerWaalsContact CE2-CZ 3.49Å; F580-G582 VanDerWaalsContact CE1-CA 3.41Å; F580-G582 VanDerWaalsContact CE1-N 3.3Å; F580-G582 VanDerWaalsContact CZ-O 3.26Å; F580-G582 WeakPolarHBondContact CZ-O 3.43Å; F580-L583 HydrophobicContact CZ-CD2 4.04Å; F580-L583 HydrophobicContact CZ-CG 4.09Å
581	V	95.5	Very high	91.5	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-44.1	-178.6	-178.7	0	0	0	0	111.9	T413 A416 L417 I420 L517 F550	T413-V581 HydrophobicContact CG2-CG1 4.35Å; A416-V581 HydrophobicContact CB-CG1 3.95Å; L417-V581 HydrophobicContact CB-CG1 3.75Å; L417-V581 HydrophobicContact CD1-CB 4.47Å; L417-V581 HydrophobicContact CD1-CG1 4.15Å; I420-V581 HydrophobicContact CD1-CB 3.8Å; I420-V581 HydrophobicContact CD1-CG1 4.27Å; I420-V581 HydrophobicContact CD1-CG2 3.61Å; L517-V581 HydrophobicContact CD2-CG1 4.28Å; F550-V581 PolarHBondContact O-N 3.11Å
582	G	94.8	Very high	91.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.4	175.4	-177.8	0	0	0	0	0	114.6	W388 F550 F580	W388-G582 CarbonylContact O-C 3.5Å; W388-G582 WeakPolarHBondContact O-CA 3.2Å; F550-G582 PolarHBondContact N-O 3.39Å; F550-G582 PolarHBondContact O-N 3.43Å; F580-G582 VanDerWaalsContact CE1-CA 3.41Å; F580-G582 VanDerWaalsContact CE1-N 3.3Å; F580-G582 VanDerWaalsContact CZ-O 3.26Å; F580-G582 WeakPolarHBondContact CZ-O 3.43Å
583	L	95.3	Very high	91.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	149.5	166.3	-56.9	162.9	0	0	0	109.6	M387 W388 P506 F533 V547 L548 F580	M387-L583 CarbonylContact C-O 3.53Å; M387-L583 WeakPolarHBondContact CA-O 3.38Å; W388-L583 HydrophobicContact CB-CB 3.89Å; W388-L583 HydrophobicContact CB-CD1 4.14Å; W388-L583 HydrophobicContact CB-CG 4.32Å; W388-L583 HydrophobicContact CD2-CD1 4.29Å; W388-L583 HydrophobicContact CE3-CD1 4.07Å; W388-L583 HydrophobicContact CE3-CG 4.09Å; W388-L583 HydrophobicContact CG-CD1 4.36Å; W388-L583 PolarHBondContact N-O 3.32Å; W388-L583 PolarHBondContact O-N 3.41Å; P506-L583 HydrophobicContact CB-CD2 3.86Å; P506-L583 HydrophobicContact CG-CD2 4.16Å; F533-L583 HydrophobicContact CD2-CD1 4.14Å; F533-L583 HydrophobicContact CD2-CG 4.47Å; F533-L583 HydrophobicContact CE2-CD1 3.93Å; F533-L583 HydrophobicContact CE2-CD2 3.64Å; F533-L583 HydrophobicContact CE2-CG 3.98Å; F533-L583 HydrophobicContact CZ-CD2 4.05Å; V547-L583 HydrophobicContact CG1-CB 3.96Å; V547-L583 HydrophobicContact CG1-CD1 4.22Å; V547-L583 HydrophobicContact CG1-CD2 3.86Å; V547-L583 HydrophobicContact CG1-CG 4.25Å; L548-L583 VanDerWaalsContact O-CA 3.31Å; L548-L583 WeakPolarHBondContact O-CA 3.46Å; F580-L583 HydrophobicContact CZ-CD2 4.04Å; F580-L583 HydrophobicContact CZ-CG 4.09Å
584	M	94.6	Very high	91.6	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.8	158.5	-56.6	-175.3	-174.3	0	0	108.5	I384 M387 W414 L417 L452 L548 F550	I384-M584 HydrophobicContact CD1-CB 4.1Å; I384-M584 HydrophobicContact CD1-SD 4.25Å; I384-M584 HydrophobicContact CG2-CB 4.37Å; M387-M584 HydrophobicContact CG-CG 4.43Å; W414-M584 HydrophobicContact CH2-CE 4.15Å; W414-M584 HydrophobicContact CZ3-CE 3.78Å; L417-M584 HydrophobicContact CD1-CE 4.12Å; L417-M584 HydrophobicContact CD2-CE 3.98Å; L417-M584 HydrophobicContact CD2-CG 4.29Å; L417-M584 HydrophobicContact CG-CE 3.53Å; L452-M584 HydrophobicContact CD2-CB 4.43Å; L452-M584 HydrophobicContact CD2-SD 3.36Å; L452-M584 WeakPolarHBondContact CD2-SD 3.3Å; L548-M584 PolarHBondContact N-O 2.87Å; L548-M584 PolarHBondContact O-N 3.45Å; F550-M584 HydrophobicContact CD2-CB 4.45Å; F550-M584 HydrophobicContact CD2-CG 4.13Å; F550-M584 HydrophobicContact CE2-CB 3.63Å; F550-M584 HydrophobicContact CE2-CG 3.64Å; F550-M584 HydrophobicContact CE2-SD 4.21Å; F550-M584 HydrophobicContact CZ-CB 4.27Å; F550-M584 HydrophobicContact CZ-CG 4.24Å; F550-M584 HydrophobicContact CZ-SD 4.23Å
585	S	93.5	Very high	91.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	150.5	172.8	63.8	0	0	0	0	110.5	I384 A385 H386 E545 R546	I384-S585 CarbonylContact C-O 3.57Å; I384-S585 WeakPolarHBondContact CA-O 3.4Å; A385-S585 PolarHBondContact N-O 3.22Å; H386-S585 WeakPolarHBondContact CA-OG 2.98Å; H386-S585 VanDerWaalsContact CB-OG 3.3Å; H386-S585 WeakPolarHBondContact CB-OG 3.24Å; H386-S585 PolarHBondContact N-OG 3.18Å; H386-S585 VanDerWaalsContact N-OG 3.12Å; H386-S585 PolarHBondContact O-N 2.83Å; H386-S585 PolarHBondContact O-OG 2.75Å; E545-S585 WeakPolarHBondContact OE2-CB 3.43Å; E545-S585 PolarHBondContact OE2-OG 3.12Å; R546-S585 CarbonylContact O-C 3.56Å; R546-S585 VanDerWaalsContact O-CA 3.31Å; R546-S585 WeakPolarHBondContact O-CA 3.33Å
586	M	92.2	Very high	91.7	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	145.3	-180	59.4	-167.5	72.8	0	0	111.1	M382 T383 I384 S448 A451 L452 R546 L548	M382-M586 HydrophobicContact CG-CB 3.92Å; M382-M586 HydrophobicContact CG-CG 3.73Å; M382-M586 HydrophobicContact CG-SD 3.71Å; M382-M586 HydrophobicContact SD-CB 3.96Å; M382-M586 HydrophobicContact SD-CG 3.7Å; M382-M586 HydrophobicContact SD-SD 4.37Å; T383-M586 CarbonylContact O-C 3.56Å; T383-M586 WeakPolarHBondContact O-CA 3.5Å; T383-M586 WeakPolarHBondContact O-CB 3.33Å; I384-M586 HydrophobicContact CD1-CB 4.12Å; I384-M586 HydrophobicContact CD1-CE 3.84Å; S448-M586 WeakPolarHBondContact CA-SD 3.5Å; S448-M586 WeakPolarHBondContact CB-SD 3.36Å; S448-M586 PolarHBondContact OG-SD 3.4Å; A451-M586 HydrophobicContact CB-SD 4.35Å; L452-M586 HydrophobicContact CD2-CE 4.44Å; L452-M586 HydrophobicContact CG-CE 4.22Å; R546-M586 HydrophobicContact CB-CG 3.92Å; R546-M586 HydrophobicContact CG-CG 4.47Å; R546-M586 PolarHBondContact N-O 2.72Å; R546-M586 WeakPolarHBondContact O-CG 3.45Å; R546-M586 PolarHBondContact O-N 3.44Å; L548-M586 HydrophobicContact CD1-CE 3.56Å; L548-M586 HydrophobicContact CG-CE 4.14Å
587	I	90.4	Very high	91.8	Very high	16 Å²	16	23.2 Å²	23.2	8%	0.082	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	165.8	177	-160.1	168.3	0	0	0	109	M382 T383 A385 E545 P589 I622	M382-I587 VanDerWaalsContact SD-C 3.58Å; T383-I587 PolarHBondContact N-O 3.11Å; T383-I587 PolarHBondContact O-N 2.97Å; T383-I587 VanDerWaalsContact O-O 3.13Å; A385-I587 HydrophobicContact CB-CG2 3.77Å; E545-I587 HydrophobicContact CG-CB 4.17Å; E545-I587 HydrophobicContact CG-CD1 4.14Å; I587-P589 HydrophobicContact CG2-CB 4.49Å; I587-P589 VanDerWaalsContact O-CD 3.26Å; I587-P589 WeakPolarHBondContact O-CD 3.48Å; I587-I622 HydrophobicContact CD1-CD1 3.66Å; I587-I622 HydrophobicContact CD1-CG1 4.34Å; I587-I622 HydrophobicContact CG1-CD1 4.17Å
588	D	88.3	Confident	92	Very high	15 Å²	15	17.7 Å²	17.7	8%	0.08	11%	0.108	C	C	.	.			trans	-85	101	162.8	-179.7	22.5	0	0	0	108.7	T378 Q379 N380 R381 I622	T378-D588 VanDerWaalsContact CB-CG 3.44Å; T378-D588 WeakPolarHBondContact CB-OD2 3.37Å; T378-D588 WeakPolarHBondContact CG2-O 3.29Å; T378-D588 VanDerWaalsContact OG1-CG 3.31Å; T378-D588 PolarHBondContact OG1-OD2 3.18Å; Q379-D588 PolarHBondContact N-OD1 3.47Å; N380-D588 WeakPolarHBondContact CA-OD1 3.13Å; N380-D588 WeakPolarHBondContact CA-OD2 3.32Å; N380-D588 PolarHBondContact N-OD1 3.41Å; N380-D588 PolarHBondContact N-OD2 3.29Å; R381-D588 PolarHBondContact N-OD1 2.97Å; D588-I622 WeakPolarHBondContact O-CD1 3.4Å
589	P	88.8	Confident	92	Very high	1 Å²	1	20 Å²	20	1%	0.006	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-75.5	154.9	-168.5	32.7	-34.8	0	0	0	111.5	T378 Q379 R381 T398 I587	T378-P589 VanDerWaalsContact CA-O 3.28Å; T378-P589 WeakPolarHBondContact CA-O 3.46Å; T378-P589 WeakPolarHBondContact CB-O 3.31Å; Q379-P589 PolarHBondContact N-O 3.29Å; R381-P589 WeakPolarHBondContact O-CD 3.36Å; T398-P589 HydrophobicContact CG2-CB 4.19Å; I587-P589 HydrophobicContact CG2-CB 4.49Å; I587-P589 VanDerWaalsContact O-CD 3.26Å; I587-P589 WeakPolarHBondContact O-CD 3.48Å
590	P	89.4	Confident	91.9	Very high	31 Å²	31	23 Å²	23	20%	0.201	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-55.3	152.2	168.5	-25	35.3	0	0	0	112.7	L377 Q379 I622 V626	L377-P590 WeakPolarHBondContact O-CA 3Å; Q379-P590 PolarHBondContact NE2-O 2.82Å; P590-I622 HydrophobicContact CG-CD1 4.41Å; P590-V626 HydrophobicContact CB-CG1 3.76Å; P590-V626 HydrophobicContact CG-CG1 3.79Å
591	R	87	Confident	91.9	Very high	42 Å²	42	23.1 Å²	23.1	16%	0.158	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-69.3	143.7	167.3	-60	170.5	176.6	-91.5	7.1	109.2	G375 T376 L377 T378 Q379 A593 V594 P595 D748	G375-R591 PolarHBondContact O-NH2 3.36Å; T376-R591 WeakPolarHBondContact O-CD 3.08Å; T376-R591 PolarHBondContact O-NE 2.85Å; L377-R591 PolarHBondContact O-N 2.79Å; T378-R591 PolarHBondContact O-NE 3.38Å; T378-R591 VanDerWaalsContact O-NE 3.1Å; Q379-R591 HydrophobicContact CG-CB 4.46Å; Q379-R591 HydrophobicContact CG-CG 3.82Å; R591-A593 VanDerWaalsContact C-N 3.25Å; R591-A593 PolarHBondContact O-N 2.91Å; R591-A593 VanDerWaalsContact O-N 3.08Å; R591-V594 HydrophobicContact CB-CB 4.48Å; R591-V594 HydrophobicContact CB-CG2 3.72Å; R591-V594 HydrophobicContact CG-CG2 4.44Å; R591-V594 WeakPolarHBondContact O-CB 3.37Å; R591-V594 PolarHBondContact O-N 3.03Å; R591-P595 WeakPolarHBondContact O-CD 3.38Å; R591-D748 PolarHBondContact NH1-O 3.33Å; R591-D748 IonicContact NH2-OD2 3.35Å; R591-D748 PolarHBondContact NH2-OD2 3.45Å
592	A	83.3	Confident	91.8	Very high	71 Å²	71	27.3 Å²	27.3	59%	0.587	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-35.4	-172.2	0	0	0	0	0	114.7
593	A	88	Confident	91.7	Very high	33 Å²	33	31.1 Å²	31.1	27%	0.273	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-10.9	-179	0	0	0	0	0	114.4	R591 A597 N749 A751	R591-A593 VanDerWaalsContact C-N 3.25Å; R591-A593 PolarHBondContact O-N 2.91Å; R591-A593 VanDerWaalsContact O-N 3.08Å; A593-A597 VanDerWaalsContact O-CB 3.24Å; A593-A597 WeakPolarHBondContact O-CB 3.19Å; A593-A597 PolarHBondContact O-N 3.39Å; A593-N749 WeakPolarHBondContact CB-OD1 3.49Å; A593-A751 HydrophobicContact CB-CB 4.13Å
594	V	91.9	Very high	91.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.7	-46.4	-173.5	165.8	0	0	0	0	112.6	L377 R591 D596 A597 V598 V626 F750	L377-V594 HydrophobicContact CB-CG1 4.26Å; L377-V594 HydrophobicContact CD2-CG1 3.58Å; R591-V594 HydrophobicContact CB-CB 4.48Å; R591-V594 HydrophobicContact CB-CG2 3.72Å; R591-V594 HydrophobicContact CG-CG2 4.44Å; R591-V594 WeakPolarHBondContact O-CB 3.37Å; R591-V594 PolarHBondContact O-N 3.03Å; V594-D596 PolarHBondContact O-N 2.88Å; V594-A597 PolarHBondContact O-N 2.96Å; V594-V598 HydrophobicContact CG1-CG2 4.12Å; V594-V598 WeakPolarHBondContact O-CG2 3.34Å; V594-V598 PolarHBondContact O-N 3Å; V594-V626 HydrophobicContact CG1-CB 3.88Å; V594-V626 HydrophobicContact CG1-CG1 3.58Å; V594-F750 HydrophobicContact CG2-CB 3.47Å; V594-F750 VanDerWaalsContact CG2-CB 3.47Å; V594-F750 HydrophobicContact CG2-CD1 4.45Å; V594-F750 HydrophobicContact CG2-CG 3.93Å
595	P	91.8	Very high	91.7	Very high	48 Å²	48	32.4 Å²	32.4	31%	0.312	20%	0.197	S	C	.	.	H	α-helix	trans	-57.7	-46	179.3	-26.2	35.1	0	0	0	113.5	R591 A599	R591-P595 WeakPolarHBondContact O-CD 3.38Å; P595-A599 WeakPolarHBondContact O-CB 3.32Å; P595-A599 PolarHBondContact O-N 3.47Å
596	D	92.7	Very high	91.8	Very high	83 Å²	83	32.6 Å²	32.6	44%	0.444	20%	0.198	S	C	.	.	H	α-helix	trans	-65.3	-40.9	176.2	176.9	60.2	0	0	0	111.8	V594 A599 K600	V594-D596 PolarHBondContact O-N 2.88Å; D596-A599 PolarHBondContact O-N 3.4Å; D596-K600 WeakPolarHBondContact O-CG 3.47Å; D596-K600 PolarHBondContact O-N 3.07Å; D596-K600 WeakPolarHBondContact OD1-CE 3.03Å; D596-K600 IonicContact OD1-NZ 2.77Å; D596-K600 VanDerWaalsContact OD2-CE 3.23Å; D596-K600 WeakPolarHBondContact OD2-CE 3Å; D596-K600 IonicContact OD2-NZ 3.52Å; D596-K600 PolarHBondContact OD2-NZ 3.23Å
597	A	93.7	Very high	92	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.5	-42.2	179.5	0	0	0	0	0	112.7	A593 V594 K600 C601 F750 A751 V754	A593-A597 VanDerWaalsContact O-CB 3.24Å; A593-A597 WeakPolarHBondContact O-CB 3.19Å; A593-A597 PolarHBondContact O-N 3.39Å; V594-A597 PolarHBondContact O-N 2.96Å; A597-K600 PolarHBondContact O-N 3.21Å; A597-C601 PolarHBondContact O-N 2.77Å; A597-C601 PolarHBondContact O-SG 3.35Å; A597-C601 VanDerWaalsContact O-SG 3.37Å; A597-F750 HydrophobicContact CB-CD1 3.72Å; A597-F750 HydrophobicContact CB-CE1 4.41Å; A597-A751 HydrophobicContact CB-CB 4.36Å; A597-V754 HydrophobicContact CB-CG2 3.81Å
598	V	94.9	Very high	92.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-43.5	174.1	172.1	0	0	0	0	110.4	V594 K600 C601 R602 V608 V626 I628 F750	V594-V598 HydrophobicContact CG1-CG2 4.12Å; V594-V598 WeakPolarHBondContact O-CG2 3.34Å; V594-V598 PolarHBondContact O-N 3Å; V598-K600 VanDerWaalsContact C-N 3.33Å; V598-K600 PolarHBondContact O-N 3.27Å; V598-C601 PolarHBondContact O-N 2.8Å; V598-R602 WeakPolarHBondContact O-CG 3.13Å; V598-R602 PolarHBondContact O-N 3.46Å; V598-V608 HydrophobicContact CG1-CG2 4.41Å; V598-V626 WeakPolarHBondContact CB-O 3.47Å; V598-V626 WeakPolarHBondContact CG1-O 3.19Å; V598-I628 HydrophobicContact CG1-CG1 4.07Å; V598-F750 HydrophobicContact CG2-CE1 4.15Å
599	A	94	Very high	92.7	Very high	48 Å²	48	33.8 Å²	33.8	40%	0.397	20%	0.202	S	C	.	.	H	α-helix	trans	-60.6	-40.1	176.1	0	0	0	0	0	112.5	P595 D596 R602 S603	P595-A599 WeakPolarHBondContact O-CB 3.32Å; P595-A599 PolarHBondContact O-N 3.47Å; D596-A599 PolarHBondContact O-N 3.4Å; A599-R602 PolarHBondContact O-N 2.66Å; A599-S603 WeakPolarHBondContact O-CB 3.3Å; A599-S603 PolarHBondContact O-N 3.06Å; A599-S603 PolarHBondContact O-OG 3.2Å
600	K	94.1	Very high	93.1	Very high	93 Å²	93	33.8 Å²	33.8	40%	0.404	20%	0.202	S	C	.	.	H	α-helix	trans	-67	-42.2	174.9	-75.4	176.7	-178.7	159.1	0	112.6	D596 A597 V598 R602 S603 A604 V754	D596-K600 WeakPolarHBondContact O-CG 3.47Å; D596-K600 PolarHBondContact O-N 3.07Å; D596-K600 WeakPolarHBondContact OD1-CE 3.03Å; D596-K600 IonicContact OD1-NZ 2.77Å; D596-K600 VanDerWaalsContact OD2-CE 3.23Å; D596-K600 WeakPolarHBondContact OD2-CE 3Å; D596-K600 IonicContact OD2-NZ 3.52Å; D596-K600 PolarHBondContact OD2-NZ 3.23Å; A597-K600 PolarHBondContact O-N 3.21Å; V598-K600 VanDerWaalsContact C-N 3.33Å; V598-K600 PolarHBondContact O-N 3.27Å; K600-R602 VanDerWaalsContact C-N 3.34Å; K600-R602 PolarHBondContact O-N 2.88Å; K600-S603 PolarHBondContact O-N 3.36Å; K600-A604 WeakPolarHBondContact O-CB 3.45Å; K600-A604 PolarHBondContact O-N 3.39Å; K600-V754 HydrophobicContact CB-CG1 3.86Å; K600-V754 HydrophobicContact CB-CG2 4.09Å; K600-V754 HydrophobicContact CD-CG1 3.95Å
601	C	95	Very high	93.3	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	19%	0.194	C	C	.	.	H	α-helix	trans	-59.2	-45.3	173.5	-72.9	0	0	0	0	111.5	I369 A597 V598 A604 G605 I606 V608	I369-C601 HydrophobicContact CD1-CB 4.32Å; A597-C601 PolarHBondContact O-N 2.77Å; A597-C601 PolarHBondContact O-SG 3.35Å; A597-C601 VanDerWaalsContact O-SG 3.37Å; V598-C601 PolarHBondContact O-N 2.8Å; C601-A604 CarbonylContact O-C 3.59Å; C601-A604 WeakPolarHBondContact O-CB 3.33Å; C601-A604 PolarHBondContact O-N 3.45Å; C601-G605 PolarHBondContact O-N 2.96Å; C601-I606 HydrophobicContact CB-CB 4.31Å; C601-I606 VanDerWaalsContact O-CB 3.31Å; C601-I606 WeakPolarHBondContact O-CB 3.41Å; C601-I606 PolarHBondContact O-N 3.42Å; C601-V608 HydrophobicContact CB-CG2 4.15Å
602	R	94	Very high	93.6	Very high	90 Å²	90	30.6 Å²	30.6	34%	0.34	19%	0.187	S	C	.	.	H	α-helix	trans	-64.1	-40.3	176	-69.9	-173.5	69.6	175	2.6	112.2	V598 A599 K600 A604 G605 V608 G627 S630 E682	V598-R602 WeakPolarHBondContact O-CG 3.13Å; V598-R602 PolarHBondContact O-N 3.46Å; A599-R602 PolarHBondContact O-N 2.66Å; K600-R602 VanDerWaalsContact C-N 3.34Å; K600-R602 PolarHBondContact O-N 2.88Å; R602-A604 PolarHBondContact O-N 2.85Å; R602-G605 PolarHBondContact O-N 2.85Å; R602-V608 HydrophobicContact CG-CG2 4.36Å; R602-G627 WeakPolarHBondContact CD-O 3.3Å; R602-G627 PolarHBondContact NH1-O 3.14Å; R602-S630 PolarHBondContact NH1-OG 3.31Å; R602-E682 IonicContact CZ-OE1 3.35Å; R602-E682 IonicContact NH1-OE1 3.25Å; R602-E682 PolarHBondContact NH1-OE1 3.39Å; R602-E682 IonicContact NH2-OE1 2.75Å; R602-E682 PolarHBondContact NH2-OE1 2.97Å
603	S	93.3	Very high	93.7	Very high	81 Å²	81	27.5 Å²	27.5	57%	0.566	16%	0.162	S	C	*	.	H	α-helix	trans	-61.6	-31.5	174.9	-60.1	0	0	0	0	112.3	A599 K600 G605	A599-S603 WeakPolarHBondContact O-CB 3.3Å; A599-S603 PolarHBondContact O-N 3.06Å; A599-S603 PolarHBondContact O-OG 3.2Å; K600-S603 PolarHBondContact O-N 3.36Å; S603-G605 PolarHBondContact O-N 3.34Å
604	A	94.1	Very high	93.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	7	173.7	0	0	0	0	0	114.3	K600 C601 R602 I606 R761 M827 R829 P831	K600-A604 WeakPolarHBondContact O-CB 3.45Å; K600-A604 PolarHBondContact O-N 3.39Å; C601-A604 CarbonylContact O-C 3.59Å; C601-A604 WeakPolarHBondContact O-CB 3.33Å; C601-A604 PolarHBondContact O-N 3.45Å; R602-A604 PolarHBondContact O-N 2.85Å; A604-I606 VanDerWaalsContact C-N 3.35Å; A604-I606 HydrophobicContact CB-CG1 4.42Å; A604-R761 PolarHBondContact O-NH2 2.98Å; A604-M827 WeakPolarHBondContact CA-O 3.3Å; A604-M827 HydrophobicContact CB-CE 3.95Å; A604-M827 VanDerWaalsContact CB-O 3.3Å; A604-M827 WeakPolarHBondContact CB-O 3.39Å; A604-M827 PolarHBondContact N-O 3.16Å; A604-R829 CarbonylContact C-O 3.35Å; A604-P831 WeakPolarHBondContact O-CD 3.33Å
605	G	94.3	Very high	93.1	Very high	26 Å²	26	31.4 Å²	31.4	27%	0.268	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	14.9	179.5	0	0	0	0	0	115	C601 R602 S603	C601-G605 PolarHBondContact O-N 2.96Å; R602-G605 PolarHBondContact O-N 2.85Å; S603-G605 PolarHBondContact O-N 3.34Å
606	I	96.3	Very high	93	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	17%	0.168	C	C	.	.			trans	-87.5	125.7	179.9	-55.4	178.6	0	0	0	109.2	T366 I369 C601 A604 V757 P831	T366-I606 HydrophobicContact CG2-CG2 4.4Å; I369-I606 HydrophobicContact CB-CG2 4.44Å; I369-I606 HydrophobicContact CD1-CG2 3.74Å; I369-I606 HydrophobicContact CG1-CG2 3.72Å; C601-I606 HydrophobicContact CB-CB 4.31Å; C601-I606 VanDerWaalsContact O-CB 3.31Å; C601-I606 WeakPolarHBondContact O-CB 3.41Å; C601-I606 PolarHBondContact O-N 3.42Å; A604-I606 VanDerWaalsContact C-N 3.35Å; A604-I606 HydrophobicContact CB-CG1 4.42Å; I606-V757 HydrophobicContact CD1-CB 4.5Å; I606-V757 HydrophobicContact CD1-CG1 3.85Å; I606-V757 HydrophobicContact CD1-CG2 3.81Å; I606-P831 HydrophobicContact CG1-CG 4.07Å
607	K	95.8	Very high	92.7	Very high	49 Å²	49	30.6 Å²	30.6	21%	0.213	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	125.8	173.1	-175.9	174.5	-177.2	166.9	0	109.7	S367 T368 I369 I609 L677 H680 S681	S367-K607 PolarHBondContact O-N 3.09Å; T368-K607 CarbonylContact C-O 3.56Å; T368-K607 VanDerWaalsContact CA-O 3.23Å; T368-K607 WeakPolarHBondContact CA-O 3.47Å; T368-K607 HydrophobicContact CG2-CB 4.38Å; I369-K607 PolarHBondContact N-O 3.06Å; K607-I609 HydrophobicContact CD-CD1 4.39Å; K607-I609 HydrophobicContact CG-CG1 4.23Å; K607-L677 PolarHBondContact NZ-O 2.99Å; K607-H680 WeakPolarHBondContact CE-O 3.4Å; K607-H680 PolarHBondContact NZ-O 3.45Å; K607-S681 WeakPolarHBondContact CE-O 3.36Å
608	V	96.4	Very high	92.4	Very high	8 Å²	8	32 Å²	32	5%	0.048	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.5	178.3	-171.3	0	0	0	0	109.1	I369 V598 C601 R602 I628	I369-V608 CarbonylContact O-C 3.54Å; I369-V608 WeakPolarHBondContact O-CA 3.42Å; V598-V608 HydrophobicContact CG1-CG2 4.41Å; C601-V608 HydrophobicContact CB-CG2 4.15Å; R602-V608 HydrophobicContact CG-CG2 4.36Å; V608-I628 HydrophobicContact CB-CG1 4.25Å; V608-I628 HydrophobicContact CG1-CD1 3.87Å; V608-I628 HydrophobicContact CG1-CG1 3.76Å
609	I	97.1	Very high	92.3	Very high	1 Å²	1	32 Å²	32	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.6	-178.7	-58.8	179.1	0	0	0	108	T368 I369 C370 S371 K607 V611 L677 I683 F685	T368-I609 HydrophobicContact CG2-CD1 3.78Å; T368-I609 HydrophobicContact CG2-CG1 4.19Å; I369-I609 PolarHBondContact O-N 3.31Å; C370-I609 CarbonylContact C-O 3.57Å; C370-I609 WeakPolarHBondContact CA-O 3.41Å; S371-I609 PolarHBondContact N-O 2.98Å; K607-I609 HydrophobicContact CD-CD1 4.39Å; K607-I609 HydrophobicContact CG-CG1 4.23Å; I609-V611 HydrophobicContact CG2-CG2 3.97Å; I609-L677 HydrophobicContact CD1-CD2 3.94Å; I609-I683 HydrophobicContact CD1-CD1 4.45Å; I609-I683 HydrophobicContact CG1-CB 4.36Å; I609-I683 HydrophobicContact CG2-CB 4.13Å; I609-I683 HydrophobicContact CG2-CG2 4.19Å; I609-F685 HydrophobicContact CG2-CD2 3.77Å; I609-F685 HydrophobicContact CG2-CE2 3.93Å
610	M	97	Very high	92.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	130.7	172	-176.4	-178.5	-74.7	0	0	109.7	S371 K373 L377 T612 A619 I622 A623 I628 I683 V684 F685	S371-M610 WeakPolarHBondContact O-CA 3.37Å; K373-M610 HydrophobicContact CB-CE 4.41Å; K373-M610 HydrophobicContact CB-CG 4.39Å; K373-M610 HydrophobicContact CB-SD 4.12Å; K373-M610 HydrophobicContact CG-CE 4.28Å; K373-M610 HydrophobicContact CG-SD 4.29Å; L377-M610 HydrophobicContact CD1-CE 3.73Å; M610-T612 HydrophobicContact CG-CG2 4.27Å; M610-T612 HydrophobicContact SD-CG2 4.2Å; M610-A619 HydrophobicContact SD-CB 4.07Å; M610-I622 HydrophobicContact CE-CB 4.26Å; M610-I622 HydrophobicContact CE-CG2 3.87Å; M610-A623 HydrophobicContact CE-CB 3.81Å; M610-A623 HydrophobicContact SD-CB 4.25Å; M610-I628 HydrophobicContact CB-CD1 4.03Å; M610-I628 HydrophobicContact CE-CD1 4.08Å; M610-I683 PolarHBondContact N-O 3.49Å; M610-I683 VanDerWaalsContact N-O 3.15Å; M610-V684 HydrophobicContact CB-CB 4.46Å; M610-V684 HydrophobicContact CB-CG1 4.18Å; M610-V684 HydrophobicContact CB-CG2 4.18Å; M610-V684 HydrophobicContact CG-CG1 4.34Å; M610-V684 HydrophobicContact SD-CG1 4.01Å; M610-F685 PolarHBondContact O-N 2.79Å
611	V	95.3	Very high	92	Very high	6 Å²	6	28.3 Å²	28.3	4%	0.036	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	96.9	178.2	-173.1	0	0	0	0	109.5	C370 S371 I609 F685 T688 K693 I696	C370-V611 HydrophobicContact CB-CG2 4.17Å; S371-V611 PolarHBondContact O-N 3.06Å; I609-V611 HydrophobicContact CG2-CG2 3.97Å; V611-F685 HydrophobicContact CG2-CD2 4.27Å; V611-T688 HydrophobicContact CG1-CG2 4.4Å; V611-K693 HydrophobicContact CG1-CB 4.02Å; V611-K693 HydrophobicContact CG1-CD 3.95Å; V611-K693 HydrophobicContact CG1-CG 3.67Å; V611-K693 PolarHBondContact O-NZ 3.47Å; V611-I696 HydrophobicContact CG1-CD1 3.66Å; V611-I696 HydrophobicContact CG2-CD1 4.33Å; V611-I696 HydrophobicContact CG2-CG2 4.08Å
612	T	91.8	Very high	91.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	16%	0.157	C	C	.	.			trans	-130.3	153.5	-171.1	-171.5	0	0	0	0	113.3	D372 K373 M610 D614 A619 F685 A686 R687 T688	D372-T612 PolarHBondContact OD1-OG1 2.84Å; K373-T612 HydrophobicContact CB-CG2 4.23Å; M610-T612 HydrophobicContact CG-CG2 4.27Å; M610-T612 HydrophobicContact SD-CG2 4.2Å; T612-D614 VanDerWaalsContact C-N 3.29Å; T612-D614 HydrophobicContact CG2-CB 4.13Å; T612-D614 PolarHBondContact OG1-N 2.91Å; T612-A619 HydrophobicContact CG2-CB 3.69Å; T612-F685 PolarHBondContact N-O 3.39Å; T612-A686 CarbonylContact O-C 3.58Å; T612-A686 WeakPolarHBondContact O-CA 3.05Å; T612-R687 PolarHBondContact O-N 3.43Å; T612-R687 VanDerWaalsContact O-N 3.09Å; T612-T688 VanDerWaalsContact C-OG1 3.26Å; T612-T688 PolarHBondContact O-N 3.35Å; T612-T688 PolarHBondContact O-OG1 2.79Å
613	G	85.7	Confident	91.8	Very high	6 Å²	6	24.2 Å²	24.2	6%	0.062	14%	0.141	C	C	.	.	S	Bend	trans	-81.6	-4.9	169.7	0	0	0	0	0	113.8	R687	G613-R687 WeakPolarHBondContact O-CD 3.32Å; G613-R687 PolarHBondContact O-NH1 2.88Å; G613-R687 VanDerWaalsContact O-NH1 3.13Å
614	D	84.4	Confident	91.8	Very high	20 Å²	20	24.2 Å²	24.2	11%	0.107	13%	0.131	C	C	.	.	S	Bend	trans	-77	165.1	-176.8	-162.6	8.6	0	0	0	112.8	K373 T612 T618 R687	K373-D614 HydrophobicContact CD-CB 4.24Å; K373-D614 WeakPolarHBondContact CE-OD2 3.31Å; K373-D614 IonicContact NZ-OD2 3.95Å; K373-D614 PolarHBondContact NZ-OD2 3.49Å; T612-D614 VanDerWaalsContact C-N 3.29Å; T612-D614 HydrophobicContact CG2-CB 4.13Å; T612-D614 PolarHBondContact OG1-N 2.91Å; D614-T618 VanDerWaalsContact OD2-CB 3.31Å; D614-T618 WeakPolarHBondContact OD2-CB 3.22Å; D614-T618 WeakPolarHBondContact OD2-CG2 3.48Å; D614-R687 PolarHBondContact O-N 3.29Å
615	H	83.8	Confident	91.6	Very high	95 Å²	95	26.5 Å²	26.5	44%	0.44	15%	0.154	S	C	.	.			trans	-62.4	142.4	179.9	-164.5	-94.5	0	0	0	111.6	I617 T618 A619	H615-I617 VanDerWaalsContact C-N 3.27Å; H615-I617 PolarHBondContact O-N 3.47Å; H615-I617 VanDerWaalsContact O-N 3.15Å; H615-T618 PolarHBondContact O-N 3.5Å; H615-A619 WeakPolarHBondContact O-CB 3.34Å; H615-A619 PolarHBondContact O-N 3.18Å
616	P	88.6	Confident	91.5	Very high	26 Å²	26	25.3 Å²	25.3	17%	0.169	14%	0.142	C	C	.	.	H	α-helix	trans	-55.6	-35.4	-175.9	-28.6	34	0	0	0	115.5	K620 V659 A686	P616-K620 WeakPolarHBondContact O-CB 3.35Å; P616-K620 PolarHBondContact O-N 3.38Å; P616-V659 HydrophobicContact CB-CG1 4.05Å; P616-A686 HydrophobicContact CB-CB 4.09Å; P616-A686 HydrophobicContact CG-CB 3.94Å
617	I	87.9	Confident	91.3	Very high	88 Å²	88	26.3 Å²	26.3	45%	0.451	15%	0.154	S	C	.	.	H	α-helix	trans	-65.2	-51	-178.8	-57.8	174.6	0	0	0	109.8	H615 K620 A621	H615-I617 VanDerWaalsContact C-N 3.27Å; H615-I617 PolarHBondContact O-N 3.47Å; H615-I617 VanDerWaalsContact O-N 3.15Å; I617-K620 PolarHBondContact O-N 2.94Å; I617-A621 WeakPolarHBondContact O-CB 3.27Å; I617-A621 PolarHBondContact O-N 2.98Å
618	T	87.4	Confident	91.3	Very high	29 Å²	29	24.1 Å²	24.1	18%	0.178	14%	0.144	C	C	.	.	H	α-helix	trans	-62.9	-45	176.9	-42.3	0	0	0	0	111.2	D614 H615 K620 A621 I622	D614-T618 VanDerWaalsContact OD2-CB 3.31Å; D614-T618 WeakPolarHBondContact OD2-CB 3.22Å; D614-T618 WeakPolarHBondContact OD2-CG2 3.48Å; H615-T618 PolarHBondContact O-N 3.5Å; T618-K620 PolarHBondContact O-N 2.62Å; T618-A621 PolarHBondContact O-N 2.85Å; T618-I622 HydrophobicContact CG2-CG1 4.44Å; T618-I622 WeakPolarHBondContact O-CG1 3.33Å; T618-I622 PolarHBondContact O-N 3.23Å
619	A	91.1	Very high	91.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.5	-45.1	177.6	0	0	0	0	0	111.8	M610 T612 H615 A623 V684 A686	M610-A619 HydrophobicContact SD-CB 4.07Å; T612-A619 HydrophobicContact CG2-CB 3.69Å; H615-A619 WeakPolarHBondContact O-CB 3.34Å; H615-A619 PolarHBondContact O-N 3.18Å; A619-A623 WeakPolarHBondContact O-CB 3.45Å; A619-A623 PolarHBondContact O-N 2.96Å; A619-V684 HydrophobicContact CB-CG1 3.81Å; A619-A686 HydrophobicContact CB-CB 3.9Å
620	K	92.4	Very high	91	Very high	40 Å²	40	25.3 Å²	25.3	17%	0.174	15%	0.153	C	C	.	.	H	α-helix	trans	-63.4	-42.5	176.7	-176.6	177.8	178.6	173.7	0	111.7	P616 I617 T618 A623 K624 I629 T635 D638 V659	P616-K620 WeakPolarHBondContact O-CB 3.35Å; P616-K620 PolarHBondContact O-N 3.38Å; I617-K620 PolarHBondContact O-N 2.94Å; T618-K620 PolarHBondContact O-N 2.62Å; K620-A623 PolarHBondContact O-N 3.23Å; K620-K624 WeakPolarHBondContact O-CG 3.35Å; K620-K624 PolarHBondContact O-N 3.18Å; K620-I629 HydrophobicContact CG-CD1 4.3Å; K620-T635 PolarHBondContact NZ-OG1 2.84Å; K620-D638 IonicContact NZ-OD1 3.93Å; K620-D638 PolarHBondContact NZ-OD1 3.34Å; K620-D638 IonicContact NZ-OD2 3.97Å; K620-D638 PolarHBondContact NZ-OD2 2.91Å; K620-V659 HydrophobicContact CB-CG2 4.17Å; K620-V659 HydrophobicContact CD-CG2 4.11Å; K620-V659 HydrophobicContact CG-CG2 4.09Å
621	A	89.9	Confident	90.4	Very high	23 Å²	23	34.2 Å²	34.2	19%	0.19	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-48.1	178.9	0	0	0	0	0	112	M543 I617 T618 A623 K624 G625	M543-A621 WeakPolarHBondContact O-CB 3.41Å; I617-A621 WeakPolarHBondContact O-CB 3.27Å; I617-A621 PolarHBondContact O-N 2.98Å; T618-A621 PolarHBondContact O-N 2.85Å; A621-A623 VanDerWaalsContact C-N 3.33Å; A621-A623 PolarHBondContact O-N 3.36Å; A621-K624 PolarHBondContact O-N 3.21Å; A621-G625 PolarHBondContact O-N 3.48Å
622	I	91.9	Very high	89.9	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.026	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-41.3	175.4	-63.3	-63.1	0	0	0	110.6	K373 T378 I587 D588 P590 M610 T618 K624 G625 V626	K373-I622 HydrophobicContact CD-CB 4.4Å; K373-I622 HydrophobicContact CD-CG1 4.2Å; K373-I622 HydrophobicContact CD-CG2 4.5Å; K373-I622 HydrophobicContact CG-CB 4.34Å; K373-I622 HydrophobicContact CG-CG2 3.94Å; T378-I622 HydrophobicContact CG2-CD1 4.19Å; T378-I622 HydrophobicContact CG2-CG1 4.37Å; T378-I622 HydrophobicContact CG2-CG2 3.86Å; I587-I622 HydrophobicContact CD1-CD1 3.66Å; I587-I622 HydrophobicContact CD1-CG1 4.34Å; I587-I622 HydrophobicContact CG1-CD1 4.17Å; D588-I622 WeakPolarHBondContact O-CD1 3.4Å; P590-I622 HydrophobicContact CG-CD1 4.41Å; M610-I622 HydrophobicContact CE-CB 4.26Å; M610-I622 HydrophobicContact CE-CG2 3.87Å; T618-I622 HydrophobicContact CG2-CG1 4.44Å; T618-I622 WeakPolarHBondContact O-CG1 3.33Å; T618-I622 PolarHBondContact O-N 3.23Å; I622-K624 VanDerWaalsContact C-N 3.27Å; I622-K624 PolarHBondContact O-N 3.23Å; I622-G625 PolarHBondContact O-N 3.19Å; I622-V626 HydrophobicContact CG2-CG1 4.24Å; I622-V626 WeakPolarHBondContact O-CG2 3.29Å; I622-V626 PolarHBondContact O-N 2.92Å
623	A	94.1	Very high	89.8	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-36.1	178.1	0	0	0	0	0	112.7	M610 A619 K620 A621 G627 I628 I629 V684	M610-A623 HydrophobicContact CE-CB 3.81Å; M610-A623 HydrophobicContact SD-CB 4.25Å; A619-A623 WeakPolarHBondContact O-CB 3.45Å; A619-A623 PolarHBondContact O-N 2.96Å; K620-A623 PolarHBondContact O-N 3.23Å; A621-A623 VanDerWaalsContact C-N 3.33Å; A621-A623 PolarHBondContact O-N 3.36Å; A623-G627 PolarHBondContact O-N 3.08Å; A623-I628 HydrophobicContact CB-CB 4.19Å; A623-I628 HydrophobicContact CB-CG2 4.37Å; A623-I628 PolarHBondContact O-N 3.25Å; A623-I629 HydrophobicContact CB-CD1 4.03Å; A623-I629 HydrophobicContact CB-CG1 4.05Å; A623-I629 PolarHBondContact O-N 3.09Å; A623-V684 HydrophobicContact CB-CG2 3.49Å; A623-V684 VanDerWaalsContact CB-CG2 3.49Å
624	K	92.2	Very high	89.9	Confident	81 Å²	81	42.9 Å²	42.9	35%	0.352	24%	0.243	S	C	.	.	H	α-helix	trans	-67.7	-47.8	170	-73.6	-175.1	175.1	-169.6	0	111.4	K620 A621 I622 V626 G627 I629	K620-K624 WeakPolarHBondContact O-CG 3.35Å; K620-K624 PolarHBondContact O-N 3.18Å; A621-K624 PolarHBondContact O-N 3.21Å; I622-K624 VanDerWaalsContact C-N 3.27Å; I622-K624 PolarHBondContact O-N 3.23Å; K624-V626 VanDerWaalsContact C-N 3.27Å; K624-V626 PolarHBondContact O-N 3.47Å; K624-G627 PolarHBondContact O-N 2.82Å; K624-G627 VanDerWaalsContact O-N 3.11Å; K624-I629 HydrophobicContact CG-CB 3.95Å; K624-I629 HydrophobicContact CG-CG2 3.9Å
625	G	89.1	Confident	90.2	Very high	48 Å²	48	41.9 Å²	41.9	50%	0.495	24%	0.238	S	C	.	.	H	α-helix	trans	-61.2	-29.4	-179.2	0	0	0	0	0	114.8	A621 I622	A621-G625 PolarHBondContact O-N 3.48Å; I622-G625 PolarHBondContact O-N 3.19Å
626	V	92.9	Very high	90.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-5.9	176.3	-57.2	0	0	0	0	114.3	P590 V594 V598 I622 K624 I628	P590-V626 HydrophobicContact CB-CG1 3.76Å; P590-V626 HydrophobicContact CG-CG1 3.79Å; V594-V626 HydrophobicContact CG1-CB 3.88Å; V594-V626 HydrophobicContact CG1-CG1 3.58Å; V598-V626 WeakPolarHBondContact CB-O 3.47Å; V598-V626 WeakPolarHBondContact CG1-O 3.19Å; I622-V626 HydrophobicContact CG2-CG1 4.24Å; I622-V626 WeakPolarHBondContact O-CG2 3.29Å; I622-V626 PolarHBondContact O-N 2.92Å; K624-V626 VanDerWaalsContact C-N 3.27Å; K624-V626 PolarHBondContact O-N 3.47Å; V626-I628 HydrophobicContact CG2-CB 4.25Å; V626-I628 HydrophobicContact CG2-CD1 3.72Å; V626-I628 HydrophobicContact CG2-CG1 3.74Å
627	G	93.5	Very high	90.4	Very high	26 Å²	26	41 Å²	41	27%	0.268	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	18.2	-179.5	0	0	0	0	0	115.9	R602 A623 K624	R602-G627 WeakPolarHBondContact CD-O 3.3Å; R602-G627 PolarHBondContact NH1-O 3.14Å; A623-G627 PolarHBondContact O-N 3.08Å; K624-G627 PolarHBondContact O-N 2.82Å; K624-G627 VanDerWaalsContact O-N 3.11Å
628	I	95.2	Very high	90.4	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	22%	0.223	C	C	.	.	S	Bend	trans	-70.6	-46.2	168.3	-71.8	171.2	0	0	0	109.6	L377 V598 V608 M610 A623 V626 E682 V684	L377-I628 HydrophobicContact CD1-CD1 3.88Å; V598-I628 HydrophobicContact CG1-CG1 4.07Å; V608-I628 HydrophobicContact CB-CG1 4.25Å; V608-I628 HydrophobicContact CG1-CD1 3.87Å; V608-I628 HydrophobicContact CG1-CG1 3.76Å; M610-I628 HydrophobicContact CB-CD1 4.03Å; M610-I628 HydrophobicContact CE-CD1 4.08Å; A623-I628 HydrophobicContact CB-CB 4.19Å; A623-I628 HydrophobicContact CB-CG2 4.37Å; A623-I628 PolarHBondContact O-N 3.25Å; V626-I628 HydrophobicContact CG2-CB 4.25Å; V626-I628 HydrophobicContact CG2-CD1 3.72Å; V626-I628 HydrophobicContact CG2-CG1 3.74Å; I628-E682 WeakPolarHBondContact O-CB 3.26Å; I628-E682 WeakPolarHBondContact O-CG 3.42Å; I628-V684 HydrophobicContact CG2-CG2 4.45Å
629	I	94.6	Very high	90.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	22%	0.216	C	C	.	.	S	Bend	trans	-97.8	120.7	166.5	-63.6	176.7	0	0	0	107.1	K620 A623 K624 A657 V659 E682 V684	K620-I629 HydrophobicContact CG-CD1 4.3Å; A623-I629 HydrophobicContact CB-CD1 4.03Å; A623-I629 HydrophobicContact CB-CG1 4.05Å; A623-I629 PolarHBondContact O-N 3.09Å; K624-I629 HydrophobicContact CG-CB 3.95Å; K624-I629 HydrophobicContact CG-CG2 3.9Å; I629-A657 HydrophobicContact CG1-CB 4.39Å; I629-A657 HydrophobicContact CG2-CB 4.15Å; I629-V659 HydrophobicContact CD1-CG2 4.37Å; I629-E682 WeakPolarHBondContact CA-OE2 3.35Å; I629-E682 HydrophobicContact CG1-CB 4.45Å; I629-V684 HydrophobicContact CD1-CG2 3.73Å; I629-V684 HydrophobicContact CG1-CG2 4.1Å
630	S	92	Very high	90.4	Very high	34 Å²	34	38.1 Å²	38.1	24%	0.238	22%	0.218	C	C	.	.			trans	-68.7	148	174.9	-73.2	0	0	0	0	110.8	R602 S632 S633 E682	R602-S630 PolarHBondContact NH1-OG 3.31Å; S630-S632 PolarHBondContact O-N 3.18Å; S630-S632 VanDerWaalsContact O-N 3.14Å; S630-S633 WeakPolarHBondContact O-CB 3.47Å; S630-S633 PolarHBondContact O-N 2.94Å; S630-E682 WeakPolarHBondContact CB-OE1 3.44Å; S630-E682 PolarHBondContact N-OE1 3.32Å; S630-E682 PolarHBondContact N-OE2 2.91Å; S630-E682 PolarHBondContact OG-OE1 3.35Å; S630-E682 VanDerWaalsContact OG-OE1 3.07Å
631	E	85.2	Confident	90.2	Very high	186 Å²	186	40 Å²	40	87%	0.869	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.3	-179.5	-67.7	-177.9	172.6	0	0	113.3
632	S	85.1	Confident	90	Very high	103 Å²	103	44.7 Å²	44.7	72%	0.72	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-16.4	177.6	53.9	0	0	0	0	114.2	S630	S630-S632 PolarHBondContact O-N 3.18Å; S630-S632 VanDerWaalsContact O-N 3.14Å
633	S	88.7	Confident	89.9	Confident	5 Å²	5	51.1 Å²	51.1	4%	0.035	28%	0.283	C	S	.	.			trans	-79.2	133.3	-176.6	-65.5	0	0	0	0	111	S630 E682	S630-S633 WeakPolarHBondContact O-CB 3.47Å; S630-S633 PolarHBondContact O-N 2.94Å; S633-E682 WeakPolarHBondContact CB-OE2 3.46Å; S633-E682 PolarHBondContact OG-OE1 2.86Å; S633-E682 PolarHBondContact OG-OE2 3.43Å
634	K	88.8	Confident	89.6	Confident	87 Å²	87	54.4 Å²	54.4	38%	0.378	32%	0.317	S	S	.	.			trans	-109.5	140.6	178.4	-64.4	179.6	-180	176.6	0	110.2	D638 I639 E642	K634-D638 HydrophobicContact CB-CB 4.08Å; K634-D638 HydrophobicContact CG-CB 4.46Å; K634-I639 HydrophobicContact CB-CD1 4.38Å; K634-I639 HydrophobicContact CB-CG1 3.84Å; K634-I639 HydrophobicContact CD-CG1 4.38Å; K634-E642 WeakPolarHBondContact CD-OE2 3.36Å; K634-E642 WeakPolarHBondContact CE-OE2 3.24Å; K634-E642 IonicContact NZ-OE1 3.75Å; K634-E642 PolarHBondContact NZ-OE1 3.39Å; K634-E642 IonicContact NZ-OE2 2.71Å; K634-E642 PolarHBondContact NZ-OE2 3.48Å
635	T	90.3	Very high	89.6	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.313	C	S	.	.			trans	-83.1	166.1	168.3	60.2	0	0	0	0	110.8	K620 E637 D638 I639 A657 V659	K620-T635 PolarHBondContact NZ-OG1 2.84Å; T635-E637 WeakPolarHBondContact CB-OE2 3.45Å; T635-E637 PolarHBondContact O-N 3.04Å; T635-E637 PolarHBondContact OG1-OE2 2.87Å; T635-D638 WeakPolarHBondContact CB-OD2 3.36Å; T635-D638 PolarHBondContact N-OD2 3.39Å; T635-D638 PolarHBondContact O-N 3.37Å; T635-D638 VanDerWaalsContact O-N 3.08Å; T635-D638 PolarHBondContact OG1-N 2.95Å; T635-D638 PolarHBondContact OG1-OD2 3.07Å; T635-I639 WeakPolarHBondContact O-CG1 3.34Å; T635-I639 PolarHBondContact O-N 3.11Å; T635-A657 WeakPolarHBondContact CA-O 3.5Å; T635-A657 HydrophobicContact CG2-CB 4.05Å; T635-V659 HydrophobicContact CG2-CG2 4.08Å
636	V	88.6	Confident	89.5	Confident	18 Å²	18	54.5 Å²	54.5	11%	0.109	31%	0.314	C	S	.	.	H	α-helix	trans	-58.2	-36.9	176.1	-173.6	0	0	0	0	110.2	A640 V647 V650 A655	V636-A640 WeakPolarHBondContact O-CB 3.48Å; V636-A640 PolarHBondContact O-N 3.41Å; V636-V647 HydrophobicContact CB-CG1 4.45Å; V636-V647 HydrophobicContact CG1-CG1 3.69Å; V636-V650 HydrophobicContact CG1-CB 3.67Å; V636-V650 HydrophobicContact CG1-CG1 3.72Å; V636-V650 HydrophobicContact CG1-CG2 4.45Å; V636-A655 HydrophobicContact CG2-CB 3.64Å
637	E	87.5	Confident	89.2	Confident	84 Å²	84	57.6 Å²	57.6	39%	0.393	33%	0.332	S	S	.	.	H	α-helix	trans	-67.1	-40	175.6	-61	72.6	-157.4	0	0	112.2	T635 A640 A641	T635-E637 WeakPolarHBondContact CB-OE2 3.45Å; T635-E637 PolarHBondContact O-N 3.04Å; T635-E637 PolarHBondContact OG1-OE2 2.87Å; E637-A640 PolarHBondContact O-N 2.81Å; E637-A641 WeakPolarHBondContact O-CB 3.31Å; E637-A641 PolarHBondContact O-N 2.87Å
638	D	88	Confident	88.9	Confident	43 Å²	43	68.1 Å²	68.1	23%	0.23	36%	0.364	C	S	.	.	H	α-helix	trans	-65.7	-42.9	177.5	-62.1	-39.2	0	0	0	111	K620 K634 T635 A640 A641 E642	K620-D638 IonicContact NZ-OD1 3.93Å; K620-D638 PolarHBondContact NZ-OD1 3.34Å; K620-D638 IonicContact NZ-OD2 3.97Å; K620-D638 PolarHBondContact NZ-OD2 2.91Å; K634-D638 HydrophobicContact CB-CB 4.08Å; K634-D638 HydrophobicContact CG-CB 4.46Å; T635-D638 WeakPolarHBondContact CB-OD2 3.36Å; T635-D638 PolarHBondContact N-OD2 3.39Å; T635-D638 PolarHBondContact O-N 3.37Å; T635-D638 VanDerWaalsContact O-N 3.08Å; T635-D638 PolarHBondContact OG1-N 2.95Å; T635-D638 PolarHBondContact OG1-OD2 3.07Å; D638-A640 VanDerWaalsContact C-N 3.31Å; D638-A640 PolarHBondContact O-N 3.44Å; D638-A641 PolarHBondContact O-N 3.3Å; D638-E642 VanDerWaalsContact O-CB 3.3Å; D638-E642 WeakPolarHBondContact O-CB 3.42Å; D638-E642 PolarHBondContact O-N 3.24Å
639	I	89.2	Confident	88.5	Confident	9 Å²	9	74.4 Å²	74.4	5%	0.046	39%	0.394	C	S	.	.	H	α-helix	trans	-64.6	-39.8	177.4	-62.4	170	0	0	0	110.4	K634 T635 R643 V650 D654 A655	K634-I639 HydrophobicContact CB-CD1 4.38Å; K634-I639 HydrophobicContact CB-CG1 3.84Å; K634-I639 HydrophobicContact CD-CG1 4.38Å; T635-I639 WeakPolarHBondContact O-CG1 3.34Å; T635-I639 PolarHBondContact O-N 3.11Å; I639-R643 HydrophobicContact CG2-CG 4.45Å; I639-R643 VanDerWaalsContact O-CB 3.32Å; I639-R643 WeakPolarHBondContact O-CB 2.93Å; I639-R643 VanDerWaalsContact O-CG 3.31Å; I639-R643 WeakPolarHBondContact O-CG 3.45Å; I639-R643 PolarHBondContact O-N 3.18Å; I639-V650 HydrophobicContact CB-CG1 3.98Å; I639-V650 HydrophobicContact CB-CG2 4.42Å; I639-V650 HydrophobicContact CD1-CG1 4.23Å; I639-V650 HydrophobicContact CG2-CG1 3.74Å; I639-V650 HydrophobicContact CG2-CG2 4.09Å; I639-D654 HydrophobicContact CD1-CB 4.19Å; I639-A655 HydrophobicContact CD1-CB 3.99Å
640	A	89.9	Confident	88.1	Confident	4 Å²	4	74.7 Å²	74.7	3%	0.033	40%	0.395	C	S	.	.	H	α-helix	trans	-63.2	-47.8	176.7	0	0	0	0	0	111.6	V636 E637 D638 R643 G644 I645 V647 V650	V636-A640 WeakPolarHBondContact O-CB 3.48Å; V636-A640 PolarHBondContact O-N 3.41Å; E637-A640 PolarHBondContact O-N 2.81Å; D638-A640 VanDerWaalsContact C-N 3.31Å; D638-A640 PolarHBondContact O-N 3.44Å; A640-R643 PolarHBondContact O-N 3.2Å; A640-G644 PolarHBondContact O-N 3.41Å; A640-I645 WeakPolarHBondContact CB-O 3.32Å; A640-I645 PolarHBondContact O-N 2.92Å; A640-V647 HydrophobicContact CB-CB 4.34Å; A640-V647 HydrophobicContact CB-CG2 3.82Å; A640-V650 HydrophobicContact CB-CG2 3.85Å
641	A	86.9	Confident	87.9	Confident	80 Å²	80	76.9 Å²	76.9	66%	0.661	40%	0.404	S	S	*	.	H	α-helix	trans	-63.6	-45.2	179.1	0	0	0	0	0	112.1	E637 D638 R643 G644	E637-A641 WeakPolarHBondContact O-CB 3.31Å; E637-A641 PolarHBondContact O-N 2.87Å; D638-A641 PolarHBondContact O-N 3.3Å; A641-R643 PolarHBondContact O-N 3.36Å; A641-G644 PolarHBondContact O-N 3.22Å
642	E	87.1	Confident	87.9	Confident	122 Å²	122	71.3 Å²	71.3	57%	0.57	38%	0.384	S	S	*	.	H	α-helix	trans	-64.4	-39.4	178.7	-177.3	-176.9	-165.9	0	0	112.6	K634 D638 G644	K634-E642 WeakPolarHBondContact CD-OE2 3.36Å; K634-E642 WeakPolarHBondContact CE-OE2 3.24Å; K634-E642 IonicContact NZ-OE1 3.75Å; K634-E642 PolarHBondContact NZ-OE1 3.39Å; K634-E642 IonicContact NZ-OE2 2.71Å; K634-E642 PolarHBondContact NZ-OE2 3.48Å; D638-E642 VanDerWaalsContact O-CB 3.3Å; D638-E642 WeakPolarHBondContact O-CB 3.42Å; D638-E642 PolarHBondContact O-N 3.24Å; E642-G644 VanDerWaalsContact C-N 3.34Å
643	R	89.2	Confident	87.9	Confident	140 Å²	140	72.7 Å²	72.7	53%	0.528	37%	0.373	S	S	.	.	H	α-helix	trans	-83.6	-9.6	178.8	-67	180	-176	176.4	6.4	113.4	I639 A640 A641 I645	I639-R643 HydrophobicContact CG2-CG 4.45Å; I639-R643 VanDerWaalsContact O-CB 3.32Å; I639-R643 WeakPolarHBondContact O-CB 2.93Å; I639-R643 VanDerWaalsContact O-CG 3.31Å; I639-R643 WeakPolarHBondContact O-CG 3.45Å; I639-R643 PolarHBondContact O-N 3.18Å; A640-R643 PolarHBondContact O-N 3.2Å; A641-R643 PolarHBondContact O-N 3.36Å; R643-I645 VanDerWaalsContact C-N 3.26Å; R643-I645 HydrophobicContact CB-CD1 4.03Å; R643-I645 HydrophobicContact CB-CG1 3.91Å; R643-I645 HydrophobicContact CB-CG2 4.29Å; R643-I645 PolarHBondContact O-N 3.32Å
644	G	88	Confident	87.8	Confident	69 Å²	69	76.3 Å²	76.3	71%	0.711	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	29	-173.4	0	0	0	0	0	113.8	A640 A641 E642	A640-G644 PolarHBondContact O-N 3.41Å; A641-G644 PolarHBondContact O-N 3.22Å; E642-G644 VanDerWaalsContact C-N 3.34Å
645	I	91	Very high	87.8	Confident	50 Å²	50	72.3 Å²	72.3	26%	0.256	38%	0.375	S	S	.	.			trans	-112.4	155.1	-179.3	65.4	-177.9	0	0	0	111.4	A640 R643 Q649 V650	A640-I645 WeakPolarHBondContact CB-O 3.32Å; A640-I645 PolarHBondContact O-N 2.92Å; R643-I645 VanDerWaalsContact C-N 3.26Å; R643-I645 HydrophobicContact CB-CD1 4.03Å; R643-I645 HydrophobicContact CB-CG1 3.91Å; R643-I645 HydrophobicContact CB-CG2 4.29Å; R643-I645 PolarHBondContact O-N 3.32Å; I645-Q649 HydrophobicContact CD1-CB 4.28Å; I645-V650 HydrophobicContact CD1-CG2 3.93Å; I645-V650 HydrophobicContact CG1-CG2 4.14Å
646	P	88.9	Confident	87.8	Confident	80 Å²	80	78 Å²	78	52%	0.519	40%	0.402	S	S	.	.			trans	-61.7	140.8	172.5	-21.5	33	0	0	0	112.1	R648 Q649	P646-R648 PolarHBondContact O-N 3.31Å; P646-Q649 WeakPolarHBondContact O-CB 3.07Å; P646-Q649 PolarHBondContact O-N 2.92Å
647	V	85.9	Confident	88	Confident	66 Å²	66	77.1 Å²	77.1	40%	0.4	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-49.4	-36.9	-179.1	-177.4	0	0	0	0	112.9	V636 A640 Q649 V650	V636-V647 HydrophobicContact CB-CG1 4.45Å; V636-V647 HydrophobicContact CG1-CG1 3.69Å; A640-V647 HydrophobicContact CB-CB 4.34Å; A640-V647 HydrophobicContact CB-CG2 3.82Å; V647-Q649 PolarHBondContact O-N 3.16Å; V647-Q649 VanDerWaalsContact O-N 3.15Å; V647-V650 WeakPolarHBondContact O-CB 3.43Å; V647-V650 PolarHBondContact O-N 3.37Å; V647-V650 VanDerWaalsContact O-N 3.09Å
648	R	86.8	Confident	88.3	Confident	247 Å²	247	73.5 Å²	73.5	93%	0.932	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-63	-19.2	179.7	-62.8	-178.2	-179.1	177.5	-0.5	114.8	P646	P646-R648 PolarHBondContact O-N 3.31Å
649	Q	86.9	Confident	88.6	Confident	135 Å²	135	72.7 Å²	72.7	63%	0.631	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-89.9	-11.9	178.4	-64.3	-176.8	4	0	0	112.7	I645 P646 V647	I645-Q649 HydrophobicContact CD1-CB 4.28Å; P646-Q649 WeakPolarHBondContact O-CB 3.07Å; P646-Q649 PolarHBondContact O-N 2.92Å; V647-Q649 PolarHBondContact O-N 3.16Å; V647-Q649 VanDerWaalsContact O-N 3.15Å
650	V	86.9	Confident	88.8	Confident	6 Å²	6	72.9 Å²	72.9	4%	0.036	38%	0.378	C	S	.	.	S	Bend	trans	-79.1	129.4	176.1	-178.6	0	0	0	0	108.3	V636 I639 A640 I645 V647 P652	V636-V650 HydrophobicContact CG1-CB 3.67Å; V636-V650 HydrophobicContact CG1-CG1 3.72Å; V636-V650 HydrophobicContact CG1-CG2 4.45Å; I639-V650 HydrophobicContact CB-CG1 3.98Å; I639-V650 HydrophobicContact CB-CG2 4.42Å; I639-V650 HydrophobicContact CD1-CG1 4.23Å; I639-V650 HydrophobicContact CG2-CG1 3.74Å; I639-V650 HydrophobicContact CG2-CG2 4.09Å; A640-V650 HydrophobicContact CB-CG2 3.85Å; I645-V650 HydrophobicContact CD1-CG2 3.93Å; I645-V650 HydrophobicContact CG1-CG2 4.14Å; V647-V650 WeakPolarHBondContact O-CB 3.43Å; V647-V650 PolarHBondContact O-N 3.37Å; V647-V650 VanDerWaalsContact O-N 3.09Å; V650-P652 VanDerWaalsContact O-CD 3.29Å; V650-P652 WeakPolarHBondContact O-CD 3.26Å
651	N	86.7	Confident	88.9	Confident	81 Å²	81	75.6 Å²	75.6	43%	0.433	39%	0.39	S	S	.	.			trans	-68.5	120.1	170.9	-180	5.9	0	0	0	108.6	R653 D654	N651-R653 PolarHBondContact O-N 3.3Å; N651-R653 PolarHBondContact OD1-N 3.18Å; N651-D654 PolarHBondContact ND2-OD1 3.06Å; N651-D654 WeakPolarHBondContact O-CB 3.23Å; N651-D654 PolarHBondContact O-N 3.46Å
652	P	85.1	Confident	88.9	Confident	68 Å²	68	71.9 Å²	71.9	44%	0.442	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-56.3	-28.5	-179.5	-26.6	35.7	0	0	0	113.1	V650 D654 A655 H680	V650-P652 VanDerWaalsContact O-CD 3.29Å; V650-P652 WeakPolarHBondContact O-CD 3.26Å; P652-D654 PolarHBondContact O-N 3.33Å; P652-A655 PolarHBondContact O-N 2.86Å; P652-A655 VanDerWaalsContact O-N 3.16Å; P652-H680 PolarHBondContact O-CE1 2.92Å; P652-H680 VanDerWaalsContact O-CE1 3.26Å
653	R	84.8	Confident	88.9	Confident	132 Å²	132	68.9 Å²	68.9	50%	0.498	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-69.4	-17.7	179.3	-54.8	-57.9	175.5	125.7	-10.5	114.3	N651 D675 N679	N651-R653 PolarHBondContact O-N 3.3Å; N651-R653 PolarHBondContact OD1-N 3.18Å; R653-D675 IonicContact CZ-OD1 3.95Å; R653-D675 IonicContact CZ-OD2 2.68Å; R653-D675 VanDerWaalsContact NH2-CG 3.31Å; R653-D675 IonicContact NH2-OD1 2.96Å; R653-D675 PolarHBondContact NH2-OD1 2.7Å; R653-D675 IonicContact NH2-OD2 2.94Å; R653-D675 PolarHBondContact NH2-OD2 2.89Å; R653-N679 PolarHBondContact NH1-ND2 2.62Å; R653-N679 PolarHBondContact NH1-OD1 2.7Å; R653-N679 PolarHBondContact NH2-ND2 2.74Å
654	D	87.2	Confident	88.9	Confident	82 Å²	82	66.2 Å²	66.2	44%	0.439	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-74.5	-20.5	175.4	-63.8	-1.3	0	0	0	111.2	I639 N651 P652	I639-D654 HydrophobicContact CD1-CB 4.19Å; N651-D654 PolarHBondContact ND2-OD1 3.06Å; N651-D654 WeakPolarHBondContact O-CB 3.23Å; N651-D654 PolarHBondContact O-N 3.46Å; P652-D654 PolarHBondContact O-N 3.33Å
655	A	89	Confident	89	Confident	2 Å²	2	63.3 Å²	63.3	2%	0.017	32%	0.317	C	S	.	.			trans	-95.8	116.4	-179.4	0	0	0	0	0	111.1	V636 I639 P652 A657 H680	V636-A655 HydrophobicContact CG2-CB 3.64Å; I639-A655 HydrophobicContact CD1-CB 3.99Å; P652-A655 PolarHBondContact O-N 2.86Å; P652-A655 VanDerWaalsContact O-N 3.16Å; A655-A657 VanDerWaalsContact C-N 3.31Å; A655-H680 PolarHBondContact O-CE1 2.98Å; A655-H680 PolarHBondContact O-ND1 3.09Å
656	Q	90.2	Very high	88.6	Confident	119 Å²	119	68 Å²	68	56%	0.556	33%	0.331	S	S	*	.	S	Bend	trans	-72.2	-29.5	173.6	-66.2	-176.4	-2.2	0	0	112.2	S681 E682	Q656-S681 PolarHBondContact O-N 2.82Å; Q656-S681 VanDerWaalsContact O-N 3.16Å; Q656-E682 PolarHBondContact O-N 2.97Å
657	A	93.7	Very high	88.4	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	145.4	179.3	0	0	0	0	0	111.7	I629 T635 A655 E682	I629-A657 HydrophobicContact CG1-CB 4.39Å; I629-A657 HydrophobicContact CG2-CB 4.15Å; T635-A657 WeakPolarHBondContact CA-O 3.5Å; T635-A657 HydrophobicContact CG2-CB 4.05Å; A655-A657 VanDerWaalsContact C-N 3.31Å; A657-E682 CarbonylContact C-O 3.58Å; A657-E682 WeakPolarHBondContact CA-O 3.22Å; A657-E682 HydrophobicContact CB-CB 3.96Å
658	C	93.6	Very high	88.6	Confident	9 Å²	9	71.4 Å²	71.4	6%	0.061	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	144.9	171.5	67.1	0	0	0	0	111.7	H680 E682 V684	C658-H680 HydrophobicContact CB-CB 4.41Å; C658-E682 PolarHBondContact N-O 3.5Å; C658-V684 PolarHBondContact O-N 3.47Å
659	V	93.8	Very high	88.7	Confident	26 Å²	26	63.1 Å²	63.1	16%	0.158	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120.2	171.8	-176.8	0	0	0	0	107.9	P616 K620 I629 T635 V684	P616-V659 HydrophobicContact CB-CG1 4.05Å; K620-V659 HydrophobicContact CB-CG2 4.17Å; K620-V659 HydrophobicContact CD-CG2 4.11Å; K620-V659 HydrophobicContact CG-CG2 4.09Å; I629-V659 HydrophobicContact CD1-CG2 4.37Å; T635-V659 HydrophobicContact CG2-CG2 4.08Å; V659-V684 CarbonylContact C-O 3.59Å; V659-V684 WeakPolarHBondContact CA-O 3.49Å; V659-V684 HydrophobicContact CG1-CB 4.46Å; V659-V684 HydrophobicContact CG1-CG1 4.39Å; V659-V684 HydrophobicContact CG2-CB 4.24Å
660	I	93.9	Very high	88.8	Confident	13 Å²	13	60.3 Å²	60.3	7%	0.067	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.2	-175.2	-64.8	161.3	0	0	0	109.1	L665 M668 I676 V684 F685 A686	I660-L665 HydrophobicContact CG2-CB 4.33Å; I660-M668 HydrophobicContact CG2-CE 4.18Å; I660-I676 HydrophobicContact CD1-CB 4.37Å; I660-I676 HydrophobicContact CD1-CD1 3.68Å; I660-I676 HydrophobicContact CD1-CG1 4.32Å; I660-I676 HydrophobicContact CD1-CG2 3.33Å; I660-V684 PolarHBondContact N-O 2.84Å; I660-F685 HydrophobicContact CB-CD1 3.79Å; I660-F685 HydrophobicContact CB-CE1 4.02Å; I660-F685 HydrophobicContact CD1-CD1 4.14Å; I660-F685 HydrophobicContact CD1-CE1 3.52Å; I660-F685 HydrophobicContact CD1-CZ 4.11Å; I660-F685 HydrophobicContact CG1-CE1 4.39Å; I660-F685 HydrophobicContact CG2-CD1 3.97Å; I660-F685 HydrophobicContact CG2-CE1 4.11Å; I660-A686 PolarHBondContact O-N 2.89Å
661	H	91.6	Very high	89	Confident	60 Å²	60	63.4 Å²	63.4	28%	0.278	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	143	176.2	-168.6	-96.4	0	0	0	110.8	S663 D664 L665 A686 R687	H661-S663 WeakPolarHBondContact ND1-CB 3.38Å; H661-S663 PolarHBondContact ND1-N 2.91Å; H661-S663 VanDerWaalsContact ND1-N 3.18Å; H661-S663 PolarHBondContact ND1-OG 3.49Å; H661-S663 PolarHBondContact O-N 3.21Å; H661-S663 VanDerWaalsContact O-N 3.16Å; H661-D664 PolarHBondContact O-N 3.46Å; H661-L665 PolarHBondContact O-N 3.25Å; H661-L665 VanDerWaalsContact O-N 3.11Å; H661-A686 CarbonylContact C-O 3.59Å; H661-R687 WeakPolarHBondContact NE2-CB 3.45Å
662	G	87.5	Confident	89.2	Confident	3 Å²	3	64.1 Å²	64.1	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-59.7	-24.8	-179.8	0	0	0	0	0	114.6	R666 A686 Q692	G662-R666 PolarHBondContact O-N 2.86Å; G662-A686 PolarHBondContact N-O 3.25Å; G662-Q692 PolarHBondContact O-NE2 3.31Å
663	S	86.6	Confident	89.5	Confident	58 Å²	58	61 Å²	61	41%	0.406	31%	0.313	S	S	.	.	H	α-helix	trans	-66	-39.8	171.8	61.6	0	0	0	0	112.3	H661 R666	H661-S663 WeakPolarHBondContact ND1-CB 3.38Å; H661-S663 PolarHBondContact ND1-N 2.91Å; H661-S663 VanDerWaalsContact ND1-N 3.18Å; H661-S663 PolarHBondContact ND1-OG 3.49Å; H661-S663 PolarHBondContact O-N 3.21Å; H661-S663 VanDerWaalsContact O-N 3.16Å; S663-R666 WeakPolarHBondContact O-CB 3.47Å; S663-R666 PolarHBondContact O-N 3.48Å
664	D	89.4	Confident	89.9	Confident	84 Å²	84	56.4 Å²	56.4	45%	0.449	30%	0.298	S	S	.	.	H	α-helix	trans	-73.8	-39.5	-178	-52.4	-22.9	0	0	0	109	H661 R666 E667 M668	H661-D664 PolarHBondContact O-N 3.46Å; D664-R666 PolarHBondContact O-N 3.47Å; D664-E667 PolarHBondContact O-N 2.77Å; D664-E667 VanDerWaalsContact O-N 3.09Å; D664-M668 HydrophobicContact CB-CE 4.1Å; D664-M668 WeakPolarHBondContact O-CG 3.48Å; D664-M668 PolarHBondContact O-N 2.81Å
665	L	88.7	Confident	90.1	Very high	8 Å²	8	56.1 Å²	56.1	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-32.5	176	-169.8	65.6	0	0	0	112.7	I660 H661 E667 M668 I673 F685 T688 Q692 I696	I660-L665 HydrophobicContact CG2-CB 4.33Å; H661-L665 PolarHBondContact O-N 3.25Å; H661-L665 VanDerWaalsContact O-N 3.11Å; L665-E667 VanDerWaalsContact C-N 3.3Å; L665-E667 PolarHBondContact O-N 3.07Å; L665-M668 HydrophobicContact CD1-SD 4.14Å; L665-M668 PolarHBondContact O-N 3.14Å; L665-I673 HydrophobicContact CD1-CD1 3.77Å; L665-I673 HydrophobicContact CD1-CG1 3.84Å; L665-F685 HydrophobicContact CD1-CD1 4.36Å; L665-F685 HydrophobicContact CD1-CE1 3.97Å; L665-F685 HydrophobicContact CD2-CD1 4.18Å; L665-T688 HydrophobicContact CD2-CG2 4.44Å; L665-Q692 HydrophobicContact CD2-CB 3.91Å; L665-Q692 HydrophobicContact CD2-CG 4.15Å; L665-I696 HydrophobicContact CD2-CD1 3.77Å; L665-I696 HydrophobicContact CD2-CG1 3.93Å
666	R	82.9	Confident	90.3	Very high	150 Å²	150	57 Å²	57	57%	0.566	30%	0.301	S	S	*	.	H	α-helix	trans	-63.5	-34.8	176.5	-178.7	-174.5	173.3	149	5.1	112.6	E34 G662 S663 D664	E34-R666 WeakPolarHBondContact OE2-CD 3.49Å; E34-R666 IonicContact OE2-CZ 2.75Å; E34-R666 IonicContact OE2-NE 2.85Å; E34-R666 PolarHBondContact OE2-NE 2.85Å; E34-R666 IonicContact OE2-NH1 3.85Å; E34-R666 PolarHBondContact OE2-NH1 3.38Å; E34-R666 IonicContact OE2-NH2 2.85Å; G662-R666 PolarHBondContact O-N 2.86Å; S663-R666 WeakPolarHBondContact O-CB 3.47Å; S663-R666 PolarHBondContact O-N 3.48Å; D664-R666 PolarHBondContact O-N 3.47Å
667	E	85.9	Confident	90.4	Very high	166 Å²	166	51.9 Å²	51.9	78%	0.776	28%	0.278	S	S	*	.	H	α-helix	trans	-86.9	-12.2	-179.5	-61.6	-175	177.1	0	0	112.5	D664 L665	D664-E667 PolarHBondContact O-N 2.77Å; D664-E667 VanDerWaalsContact O-N 3.09Å; L665-E667 VanDerWaalsContact C-N 3.3Å; L665-E667 PolarHBondContact O-N 3.07Å
668	M	88.8	Confident	90.2	Very high	51 Å²	51	57.5 Å²	57.5	25%	0.251	31%	0.307	S	S	.	.			trans	-76.1	136.9	-179	-72.7	175	-171.4	0	0	112.5	I660 D664 L665 Q672 I673 I676	I660-M668 HydrophobicContact CG2-CE 4.18Å; D664-M668 HydrophobicContact CB-CE 4.1Å; D664-M668 WeakPolarHBondContact O-CG 3.48Å; D664-M668 PolarHBondContact O-N 2.81Å; L665-M668 HydrophobicContact CD1-SD 4.14Å; L665-M668 PolarHBondContact O-N 3.14Å; M668-Q672 HydrophobicContact CB-CB 4.32Å; M668-Q672 HydrophobicContact CG-CB 4.42Å; M668-I673 HydrophobicContact CB-CG1 4.05Å; M668-I676 HydrophobicContact CE-CD1 3.83Å; M668-I676 HydrophobicContact SD-CD1 3.59Å; M668-I676 VanDerWaalsContact SD-CD1 3.59Å
669	T	90.6	Very high	90.1	Very high	73 Å²	73	59.2 Å²	59.2	45%	0.448	32%	0.315	S	S	.	.			trans	-75	155.2	167.1	62.3	0	0	0	0	110.8	A671 Q672 I673	T669-A671 PolarHBondContact O-N 2.77Å; T669-A671 VanDerWaalsContact O-N 3.11Å; T669-Q672 WeakPolarHBondContact O-CB 3.4Å; T669-Q672 PolarHBondContact O-N 3.16Å; T669-Q672 WeakPolarHBondContact OG1-CG 3.44Å; T669-Q672 PolarHBondContact OG1-OE1 3.02Å; T669-I673 PolarHBondContact O-N 2.83Å
670	P	87.9	Confident	89.9	Confident	76 Å²	76	58.7 Å²	58.7	49%	0.494	31%	0.311	S	S	.	.	H	α-helix	trans	-52.8	-35.4	176.1	-29	35.9	0	0	0	114	Q672 I673 D674	P670-Q672 PolarHBondContact O-N 2.69Å; P670-I673 PolarHBondContact O-N 2.94Å; P670-D674 WeakPolarHBondContact O-CB 3.27Å; P670-D674 PolarHBondContact O-N 2.84Å
671	A	91	Very high	89.7	Confident	70 Å²	70	61.1 Å²	61.1	58%	0.579	33%	0.329	S	S	*	.	H	α-helix	trans	-67.9	-32	177.8	0	0	0	0	0	113.4	T669 D675	T669-A671 PolarHBondContact O-N 2.77Å; T669-A671 VanDerWaalsContact O-N 3.11Å; A671-D675 PolarHBondContact O-N 3.13Å
672	Q	91.5	Very high	89.9	Confident	96 Å²	96	58.4 Å²	58.4	45%	0.449	32%	0.317	S	S	.	.	H	α-helix	trans	-72.4	-39	174.8	-72.7	166	-54.5	0	0	111.2	M668 T669 P670 D674 D675 I676	M668-Q672 HydrophobicContact CB-CB 4.32Å; M668-Q672 HydrophobicContact CG-CB 4.42Å; T669-Q672 WeakPolarHBondContact O-CB 3.4Å; T669-Q672 PolarHBondContact O-N 3.16Å; T669-Q672 WeakPolarHBondContact OG1-CG 3.44Å; T669-Q672 PolarHBondContact OG1-OE1 3.02Å; P670-Q672 PolarHBondContact O-N 2.69Å; Q672-D674 VanDerWaalsContact C-N 3.29Å; Q672-D674 PolarHBondContact O-N 2.98Å; Q672-D675 PolarHBondContact O-N 3.33Å; Q672-I676 WeakPolarHBondContact O-CG1 3.39Å; Q672-I676 PolarHBondContact O-N 3.17Å
673	I	91.3	Very high	90.3	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-44.6	173	-59.6	175.1	0	0	0	109.7	L665 M668 T669 P670 D675 I676 L677 I695	L665-I673 HydrophobicContact CD1-CD1 3.77Å; L665-I673 HydrophobicContact CD1-CG1 3.84Å; M668-I673 HydrophobicContact CB-CG1 4.05Å; T669-I673 PolarHBondContact O-N 2.83Å; P670-I673 PolarHBondContact O-N 2.94Å; I673-D675 VanDerWaalsContact C-N 3.34Å; I673-D675 PolarHBondContact O-N 2.71Å; I673-I676 WeakPolarHBondContact O-CB 3.23Å; I673-I676 PolarHBondContact O-N 2.96Å; I673-L677 HydrophobicContact CG2-CD1 3.98Å; I673-L677 HydrophobicContact CG2-CG 4.31Å; I673-L677 VanDerWaalsContact O-CG 3.28Å; I673-L677 WeakPolarHBondContact O-CG 3.37Å; I673-L677 PolarHBondContact O-N 3.37Å; I673-I695 HydrophobicContact CD1-CG2 3.71Å
674	D	92.4	Very high	90.8	Very high	34 Å²	34	55.5 Å²	55.5	18%	0.182	30%	0.296	C	S	.	.	H	α-helix	trans	-60.8	-40.7	177.9	-70	-7.2	0	0	0	111.9	P670 Q672 L677 L678 R702 Q703	P670-D674 WeakPolarHBondContact O-CB 3.27Å; P670-D674 PolarHBondContact O-N 2.84Å; Q672-D674 VanDerWaalsContact C-N 3.29Å; Q672-D674 PolarHBondContact O-N 2.98Å; D674-L677 PolarHBondContact O-N 3.34Å; D674-L678 WeakPolarHBondContact O-CB 3.46Å; D674-L678 PolarHBondContact O-N 3.07Å; D674-R702 IonicContact OD1-CZ 3.74Å; D674-R702 IonicContact OD1-NE 3.31Å; D674-R702 PolarHBondContact OD1-NE 2.95Å; D674-R702 IonicContact OD1-NH2 2.8Å; D674-R702 PolarHBondContact OD1-NH2 3.37Å; D674-R702 IonicContact OD2-NE 2.75Å; D674-R702 PolarHBondContact OD2-NE 3.03Å; D674-R702 IonicContact OD2-NH2 3.04Å; D674-Q703 VanDerWaalsContact CB-NE2 3.26Å
675	D	92	Very high	91.1	Very high	76 Å²	76	51.6 Å²	51.6	41%	0.406	28%	0.275	S	S	.	.	H	α-helix	trans	-62.7	-45.3	174	-168.2	64.5	0	0	0	111.4	R653 A671 Q672 I673 L677 L678 N679	R653-D675 IonicContact CZ-OD1 3.95Å; R653-D675 IonicContact CZ-OD2 2.68Å; R653-D675 VanDerWaalsContact NH2-CG 3.31Å; R653-D675 IonicContact NH2-OD1 2.96Å; R653-D675 PolarHBondContact NH2-OD1 2.7Å; R653-D675 IonicContact NH2-OD2 2.94Å; R653-D675 PolarHBondContact NH2-OD2 2.89Å; A671-D675 PolarHBondContact O-N 3.13Å; Q672-D675 PolarHBondContact O-N 3.33Å; I673-D675 VanDerWaalsContact C-N 3.34Å; I673-D675 PolarHBondContact O-N 2.71Å; D675-L677 VanDerWaalsContact C-N 3.34Å; D675-L677 PolarHBondContact O-N 2.88Å; D675-L678 PolarHBondContact O-N 3.36Å; D675-N679 WeakPolarHBondContact O-CB 3.4Å; D675-N679 VanDerWaalsContact O-CG 3.23Å; D675-N679 PolarHBondContact O-N 3.16Å; D675-N679 VanDerWaalsContact O-N 3.09Å; D675-N679 PolarHBondContact O-ND2 3.43Å; D675-N679 PolarHBondContact OD1-ND2 2.97Å; D675-N679 PolarHBondContact OD2-ND2 2.88Å
676	I	92.2	Very high	91.3	Very high	22 Å²	22	51.2 Å²	51.2	11%	0.113	27%	0.273	C	S	.	.	H	α-helix	trans	-59.1	-46.9	177.5	-71	167.5	0	0	0	111	I660 M668 Q672 I673 L678 N679 H680 I683 F685	I660-I676 HydrophobicContact CD1-CB 4.37Å; I660-I676 HydrophobicContact CD1-CD1 3.68Å; I660-I676 HydrophobicContact CD1-CG1 4.32Å; I660-I676 HydrophobicContact CD1-CG2 3.33Å; M668-I676 HydrophobicContact CE-CD1 3.83Å; M668-I676 HydrophobicContact SD-CD1 3.59Å; M668-I676 VanDerWaalsContact SD-CD1 3.59Å; Q672-I676 WeakPolarHBondContact O-CG1 3.39Å; Q672-I676 PolarHBondContact O-N 3.17Å; I673-I676 WeakPolarHBondContact O-CB 3.23Å; I673-I676 PolarHBondContact O-N 2.96Å; I676-L678 VanDerWaalsContact C-N 3.28Å; I676-L678 PolarHBondContact O-N 3.48Å; I676-N679 PolarHBondContact O-N 2.84Å; I676-H680 PolarHBondContact O-N 3.4Å; I676-H680 VanDerWaalsContact O-N 3.15Å; I676-I683 HydrophobicContact CG2-CD1 4.42Å; I676-F685 HydrophobicContact CG2-CZ 4.5Å
677	L	93.1	Very high	91.5	Very high	11 Å²	11	47.8 Å²	47.8	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-31.4	-179.1	-68.7	175.2	0	0	0	112.7	K607 I609 I673 D674 D675 I683 F685 G699	K607-L677 PolarHBondContact NZ-O 2.99Å; I609-L677 HydrophobicContact CD1-CD2 3.94Å; I673-L677 HydrophobicContact CG2-CD1 3.98Å; I673-L677 HydrophobicContact CG2-CG 4.31Å; I673-L677 VanDerWaalsContact O-CG 3.28Å; I673-L677 WeakPolarHBondContact O-CG 3.37Å; I673-L677 PolarHBondContact O-N 3.37Å; D674-L677 PolarHBondContact O-N 3.34Å; D675-L677 VanDerWaalsContact C-N 3.34Å; D675-L677 PolarHBondContact O-N 2.88Å; L677-I683 HydrophobicContact CD2-CD1 3.85Å; L677-F685 HydrophobicContact CD2-CE2 4.23Å; L677-F685 HydrophobicContact CD2-CZ 4.29Å; L677-G699 VanDerWaalsContact CD1-C 3.46Å
678	L	90.2	Very high	91.7	Very high	118 Å²	118	40.5 Å²	40.5	62%	0.618	23%	0.227	S	C	*	.	H	α-helix	trans	-76.7	-38.4	178.9	-162.7	99.7	0	0	0	112.2	D674 D675 I676	D674-L678 WeakPolarHBondContact O-CB 3.46Å; D674-L678 PolarHBondContact O-N 3.07Å; D675-L678 PolarHBondContact O-N 3.36Å; I676-L678 VanDerWaalsContact C-N 3.28Å; I676-L678 PolarHBondContact O-N 3.48Å
679	N	89.8	Confident	91.6	Very high	44 Å²	44	38.7 Å²	38.7	24%	0.235	22%	0.219	C	C	.	.	H	α-helix	trans	-99.8	-22.6	-163.8	-58.6	-51.8	0	0	0	114.9	R653 D675 I676	R653-N679 PolarHBondContact NH1-ND2 2.62Å; R653-N679 PolarHBondContact NH1-OD1 2.7Å; R653-N679 PolarHBondContact NH2-ND2 2.74Å; D675-N679 WeakPolarHBondContact O-CB 3.4Å; D675-N679 VanDerWaalsContact O-CG 3.23Å; D675-N679 PolarHBondContact O-N 3.16Å; D675-N679 VanDerWaalsContact O-N 3.09Å; D675-N679 PolarHBondContact O-ND2 3.43Å; D675-N679 PolarHBondContact OD1-ND2 2.97Å; D675-N679 PolarHBondContact OD2-ND2 2.88Å; I676-N679 PolarHBondContact O-N 2.84Å
680	H	90.6	Very high	91.5	Very high	16 Å²	16	35.5 Å²	35.5	7%	0.074	20%	0.2	C	C	.	.			trans	-104	124.6	175.4	-60.5	-71.7	0	0	0	109.5	K607 P652 A655 C658 I676 I683	K607-H680 WeakPolarHBondContact CE-O 3.4Å; K607-H680 PolarHBondContact NZ-O 3.45Å; P652-H680 PolarHBondContact O-CE1 2.92Å; P652-H680 VanDerWaalsContact O-CE1 3.26Å; A655-H680 PolarHBondContact O-CE1 2.98Å; A655-H680 PolarHBondContact O-ND1 3.09Å; C658-H680 HydrophobicContact CB-CB 4.41Å; I676-H680 PolarHBondContact O-N 3.4Å; I676-H680 VanDerWaalsContact O-N 3.15Å; H680-I683 HydrophobicContact CB-CD1 4.2Å; H680-I683 HydrophobicContact CB-CG1 3.87Å; H680-I683 WeakPolarHBondContact O-CD1 3.43Å
681	S	90.6	Very high	91.4	Very high	63 Å²	63	32.5 Å²	32.5	44%	0.441	18%	0.179	S	C	.	.	S	Bend	trans	-77.6	-31.2	177.5	47.1	0	0	0	0	111.9	K607 Q656	K607-S681 WeakPolarHBondContact CE-O 3.36Å; Q656-S681 PolarHBondContact O-N 2.82Å; Q656-S681 VanDerWaalsContact O-N 3.16Å
682	E	95.1	Very high	91.4	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.019	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	110.7	-175	-59.6	-178	170	0	0	109.4	R602 I628 I629 S630 S633 Q656 A657 C658	R602-E682 IonicContact CZ-OE1 3.35Å; R602-E682 IonicContact NH1-OE1 3.25Å; R602-E682 PolarHBondContact NH1-OE1 3.39Å; R602-E682 IonicContact NH2-OE1 2.75Å; R602-E682 PolarHBondContact NH2-OE1 2.97Å; I628-E682 WeakPolarHBondContact O-CB 3.26Å; I628-E682 WeakPolarHBondContact O-CG 3.42Å; I629-E682 WeakPolarHBondContact CA-OE2 3.35Å; I629-E682 HydrophobicContact CG1-CB 4.45Å; S630-E682 WeakPolarHBondContact CB-OE1 3.44Å; S630-E682 PolarHBondContact N-OE1 3.32Å; S630-E682 PolarHBondContact N-OE2 2.91Å; S630-E682 PolarHBondContact OG-OE1 3.35Å; S630-E682 VanDerWaalsContact OG-OE1 3.07Å; S633-E682 WeakPolarHBondContact CB-OE2 3.46Å; S633-E682 PolarHBondContact OG-OE1 2.86Å; S633-E682 PolarHBondContact OG-OE2 3.43Å; Q656-E682 PolarHBondContact O-N 2.97Å; A657-E682 CarbonylContact C-O 3.58Å; A657-E682 WeakPolarHBondContact CA-O 3.22Å; A657-E682 HydrophobicContact CB-CB 3.96Å; C658-E682 PolarHBondContact N-O 3.5Å
683	I	95.8	Very high	91.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132	-168.6	-53.4	178.9	0	0	0	110.2	I609 M610 I676 L677 H680 F685	I609-I683 HydrophobicContact CD1-CD1 4.45Å; I609-I683 HydrophobicContact CG1-CB 4.36Å; I609-I683 HydrophobicContact CG2-CB 4.13Å; I609-I683 HydrophobicContact CG2-CG2 4.19Å; M610-I683 PolarHBondContact N-O 3.49Å; M610-I683 VanDerWaalsContact N-O 3.15Å; I676-I683 HydrophobicContact CG2-CD1 4.42Å; L677-I683 HydrophobicContact CD2-CD1 3.85Å; H680-I683 HydrophobicContact CB-CD1 4.2Å; H680-I683 HydrophobicContact CB-CG1 3.87Å; H680-I683 WeakPolarHBondContact O-CD1 3.43Å; I683-F685 HydrophobicContact CG2-CD2 3.78Å; I683-F685 HydrophobicContact CG2-CE2 3.36Å; I683-F685 HydrophobicContact CG2-CZ 3.77Å
684	V	96.4	Very high	91.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118.4	171.5	179	0	0	0	0	108.9	M610 A619 A623 I628 I629 C658 V659 I660	M610-V684 HydrophobicContact CB-CB 4.46Å; M610-V684 HydrophobicContact CB-CG1 4.18Å; M610-V684 HydrophobicContact CB-CG2 4.18Å; M610-V684 HydrophobicContact CG-CG1 4.34Å; M610-V684 HydrophobicContact SD-CG1 4.01Å; A619-V684 HydrophobicContact CB-CG1 3.81Å; A623-V684 HydrophobicContact CB-CG2 3.49Å; A623-V684 VanDerWaalsContact CB-CG2 3.49Å; I628-V684 HydrophobicContact CG2-CG2 4.45Å; I629-V684 HydrophobicContact CD1-CG2 3.73Å; I629-V684 HydrophobicContact CG1-CG2 4.1Å; C658-V684 PolarHBondContact O-N 3.47Å; V659-V684 CarbonylContact C-O 3.59Å; V659-V684 WeakPolarHBondContact CA-O 3.49Å; V659-V684 HydrophobicContact CG1-CB 4.46Å; V659-V684 HydrophobicContact CG1-CG1 4.39Å; V659-V684 HydrophobicContact CG2-CB 4.24Å; I660-V684 PolarHBondContact N-O 2.84Å
685	F	96	Very high	91.5	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.9	167.6	-65.1	-81.7	0	0	0	108.8	I609 M610 V611 T612 I660 L665 I676 L677 I683 T688 I696	I609-F685 HydrophobicContact CG2-CD2 3.77Å; I609-F685 HydrophobicContact CG2-CE2 3.93Å; M610-F685 PolarHBondContact O-N 2.79Å; V611-F685 HydrophobicContact CG2-CD2 4.27Å; T612-F685 PolarHBondContact N-O 3.39Å; I660-F685 HydrophobicContact CB-CD1 3.79Å; I660-F685 HydrophobicContact CB-CE1 4.02Å; I660-F685 HydrophobicContact CD1-CD1 4.14Å; I660-F685 HydrophobicContact CD1-CE1 3.52Å; I660-F685 HydrophobicContact CD1-CZ 4.11Å; I660-F685 HydrophobicContact CG1-CE1 4.39Å; I660-F685 HydrophobicContact CG2-CD1 3.97Å; I660-F685 HydrophobicContact CG2-CE1 4.11Å; L665-F685 HydrophobicContact CD1-CD1 4.36Å; L665-F685 HydrophobicContact CD1-CE1 3.97Å; L665-F685 HydrophobicContact CD2-CD1 4.18Å; I676-F685 HydrophobicContact CG2-CZ 4.5Å; L677-F685 HydrophobicContact CD2-CE2 4.23Å; L677-F685 HydrophobicContact CD2-CZ 4.29Å; I683-F685 HydrophobicContact CG2-CD2 3.78Å; I683-F685 HydrophobicContact CG2-CE2 3.36Å; I683-F685 HydrophobicContact CG2-CZ 3.77Å; F685-T688 HydrophobicContact CB-CG2 3.69Å; F685-I696 HydrophobicContact CB-CD1 3.73Å; F685-I696 HydrophobicContact CD1-CD1 3.9Å; F685-I696 HydrophobicContact CD1-CG1 4.34Å; F685-I696 HydrophobicContact CD2-CD1 3.73Å; F685-I696 HydrophobicContact CD2-CG1 4.17Å; F685-I696 HydrophobicContact CD2-CG2 3.94Å; F685-I696 HydrophobicContact CE1-CD1 4.43Å; F685-I696 HydrophobicContact CE1-CG1 4.37Å; F685-I696 HydrophobicContact CE2-CD1 4.26Å; F685-I696 HydrophobicContact CE2-CG1 4.18Å; F685-I696 HydrophobicContact CE2-CG2 3.71Å; F685-I696 HydrophobicContact CG-CD1 3.52Å; F685-I696 HydrophobicContact CG-CG1 4.24Å; F685-I696 HydrophobicContact CZ-CG1 4.3Å; F685-I696 HydrophobicContact CZ-CG2 4.41Å
686	A	92.4	Very high	91.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	157.1	-176.8	0	0	0	0	0	111.1	T612 P616 A619 I660 H661 G662 T688	T612-A686 CarbonylContact O-C 3.58Å; T612-A686 WeakPolarHBondContact O-CA 3.05Å; P616-A686 HydrophobicContact CB-CB 4.09Å; P616-A686 HydrophobicContact CG-CB 3.94Å; A619-A686 HydrophobicContact CB-CB 3.9Å; I660-A686 PolarHBondContact O-N 2.89Å; H661-A686 CarbonylContact C-O 3.59Å; G662-A686 PolarHBondContact N-O 3.25Å; A686-T688 PolarHBondContact O-N 3.34Å
687	R	88.5	Confident	91.8	Very high	79 Å²	79	21.4 Å²	21.4	30%	0.298	11%	0.112	S	C	.	.	S	Bend	trans	52.2	37.3	-175	-152.8	75.2	-171.3	164.5	-13.3	113.9	E234 T612 G613 D614 H661	E234-R687 IonicContact OE1-CZ 3.32Å; E234-R687 IonicContact OE1-NE 3.46Å; E234-R687 PolarHBondContact OE1-NE 3.24Å; E234-R687 IonicContact OE1-NH2 2.76Å; E234-R687 PolarHBondContact OE1-NH2 3.38Å; E234-R687 IonicContact OE2-CZ 2.74Å; E234-R687 IonicContact OE2-NH2 3.09Å; E234-R687 PolarHBondContact OE2-NH2 2.83Å; T612-R687 PolarHBondContact O-N 3.43Å; T612-R687 VanDerWaalsContact O-N 3.09Å; G613-R687 WeakPolarHBondContact O-CD 3.32Å; G613-R687 PolarHBondContact O-NH1 2.88Å; G613-R687 VanDerWaalsContact O-NH1 3.13Å; D614-R687 PolarHBondContact O-N 3.29Å; H661-R687 WeakPolarHBondContact NE2-CB 3.45Å
688	T	89.8	Confident	91.8	Very high	12 Å²	12	22.7 Å²	22.7	7%	0.074	12%	0.118	C	C	.	.			trans	-82.3	144.8	-178	56.5	0	0	0	0	113.1	V611 T612 L665 F685 A686 Q692 I696	V611-T688 HydrophobicContact CG1-CG2 4.4Å; T612-T688 VanDerWaalsContact C-OG1 3.26Å; T612-T688 PolarHBondContact O-N 3.35Å; T612-T688 PolarHBondContact O-OG1 2.79Å; L665-T688 HydrophobicContact CD2-CG2 4.44Å; F685-T688 HydrophobicContact CB-CG2 3.69Å; A686-T688 PolarHBondContact O-N 3.34Å; T688-Q692 VanDerWaalsContact CA-OE1 3.31Å; T688-I696 HydrophobicContact CG2-CD1 4.12Å
689	S	86.8	Confident	91.9	Very high	14 Å²	14	17 Å²	17	10%	0.098	9%	0.089	C	C	.	.			trans	-84.2	160.4	169.5	71.7	0	0	0	0	111.9	Q691 Q692 K693	S689-Q691 PolarHBondContact O-N 3.35Å; S689-Q692 VanDerWaalsContact N-OE1 3.17Å; S689-Q692 WeakPolarHBondContact O-CB 3.48Å; S689-Q692 PolarHBondContact O-N 2.89Å; S689-Q692 VanDerWaalsContact OG-CG 3.22Å; S689-Q692 WeakPolarHBondContact OG-CG 3.5Å; S689-Q692 PolarHBondContact OG-N 2.9Å; S689-K693 WeakPolarHBondContact O-CG 3.13Å; S689-K693 PolarHBondContact O-N 3.19Å
690	P	87.1	Confident	92.2	Very high	5 Å²	5	15.2 Å²	15.2	3%	0.032	8%	0.079	C	C	.	.	H	α-helix	trans	-51.6	-40.1	175.1	-27.3	34	0	0	0	113.8	I266 K693 L694 N715	I266-P690 HydrophobicContact CD1-CB 4.25Å; I266-P690 HydrophobicContact CD1-CG 3.9Å; I266-P690 HydrophobicContact CG1-CB 4.41Å; P690-K693 PolarHBondContact O-N 2.87Å; P690-L694 PolarHBondContact O-N 2.63Å; P690-N715 HydrophobicContact CB-CB 4.37Å; P690-N715 WeakPolarHBondContact CB-O 3.45Å; P690-N715 HydrophobicContact CG-CB 3.8Å
691	Q	87.3	Confident	92.3	Very high	14 Å²	14	16.4 Å²	16.4	7%	0.065	9%	0.085	C	C	.	.	H	α-helix	trans	-68	-38.7	176.6	-65.5	85.4	-17.1	0	0	111.9	L269 S689 K693 L694 I695	L269-Q691 HydrophobicContact CD2-CG 4.04Å; S689-Q691 PolarHBondContact O-N 3.35Å; Q691-K693 VanDerWaalsContact C-N 3.35Å; Q691-L694 WeakPolarHBondContact O-CB 3.22Å; Q691-L694 PolarHBondContact O-N 3.23Å; Q691-I695 WeakPolarHBondContact O-CG1 3.21Å; Q691-I695 PolarHBondContact O-N 3.14Å
692	Q	90.8	Very high	92.4	Very high	10 Å²	10	18.7 Å²	18.7	5%	0.047	8%	0.084	C	C	.	.	H	α-helix	trans	-66.4	-37.4	176	-73.1	174.2	1.4	0	0	111.8	E34 G662 L665 T688 S689 L694 I695 I696	E34-Q692 PolarHBondContact OE1-NE2 3.02Å; G662-Q692 PolarHBondContact O-NE2 3.31Å; L665-Q692 HydrophobicContact CD2-CB 3.91Å; L665-Q692 HydrophobicContact CD2-CG 4.15Å; T688-Q692 VanDerWaalsContact CA-OE1 3.31Å; S689-Q692 VanDerWaalsContact N-OE1 3.17Å; S689-Q692 WeakPolarHBondContact O-CB 3.48Å; S689-Q692 PolarHBondContact O-N 2.89Å; S689-Q692 VanDerWaalsContact OG-CG 3.22Å; S689-Q692 WeakPolarHBondContact OG-CG 3.5Å; S689-Q692 PolarHBondContact OG-N 2.9Å; Q692-L694 PolarHBondContact O-N 3.03Å; Q692-I695 PolarHBondContact O-N 3.22Å; Q692-I695 VanDerWaalsContact O-N 3.12Å; Q692-I696 WeakPolarHBondContact O-CD1 3.26Å; Q692-I696 VanDerWaalsContact O-CG1 3.3Å; Q692-I696 WeakPolarHBondContact O-CG1 3.46Å; Q692-I696 PolarHBondContact O-N 3.48Å
693	K	92.8	Very high	92.2	Very high	5 Å²	5	22.6 Å²	22.6	2%	0.022	10%	0.102	C	C	.	.	H	α-helix	trans	-55.4	-43.9	172.3	-55.7	-151.9	-178.4	-168.9	0	111	D372 V611 S689 P690 Q691 I696 V697 N715 D716 A719	D372-K693 IonicContact OD1-NZ 3.66Å; D372-K693 PolarHBondContact OD1-NZ 3.1Å; D372-K693 IonicContact OD2-NZ 3.91Å; D372-K693 PolarHBondContact OD2-NZ 3.16Å; V611-K693 HydrophobicContact CG1-CB 4.02Å; V611-K693 HydrophobicContact CG1-CD 3.95Å; V611-K693 HydrophobicContact CG1-CG 3.67Å; V611-K693 PolarHBondContact O-NZ 3.47Å; S689-K693 WeakPolarHBondContact O-CG 3.13Å; S689-K693 PolarHBondContact O-N 3.19Å; P690-K693 PolarHBondContact O-N 2.87Å; Q691-K693 VanDerWaalsContact C-N 3.35Å; K693-I696 PolarHBondContact O-N 3.25Å; K693-V697 WeakPolarHBondContact O-CG2 3.38Å; K693-V697 PolarHBondContact O-N 2.75Å; K693-N715 PolarHBondContact NZ-ND2 3.28Å; K693-D716 WeakPolarHBondContact CD-OD1 3.17Å; K693-D716 WeakPolarHBondContact CE-OD1 3.32Å; K693-D716 IonicContact NZ-OD1 3.06Å; K693-D716 PolarHBondContact NZ-OD1 3.42Å; K693-A719 HydrophobicContact CB-CB 3.88Å
694	L	92.4	Very high	91.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.5	-46.8	174.2	172.1	67.4	0	0	0	112.5	K32 L269 L273 P690 Q691 Q692 I696 V697 E698 P718 Q722	K32-L694 HydrophobicContact CD-CD2 4.48Å; K32-L694 HydrophobicContact CG-CD2 4.1Å; L269-L694 HydrophobicContact CD1-CD2 3.96Å; L269-L694 HydrophobicContact CD2-CD2 3.87Å; L269-L694 HydrophobicContact CG-CD2 4.09Å; L273-L694 HydrophobicContact CD1-CD1 3.89Å; L273-L694 HydrophobicContact CD1-CD2 4.06Å; L273-L694 HydrophobicContact CD2-CD1 4.31Å; L273-L694 HydrophobicContact CD2-CD2 4.24Å; P690-L694 PolarHBondContact O-N 2.63Å; Q691-L694 WeakPolarHBondContact O-CB 3.22Å; Q691-L694 PolarHBondContact O-N 3.23Å; Q692-L694 PolarHBondContact O-N 3.03Å; L694-I696 VanDerWaalsContact C-N 3.28Å; L694-I696 PolarHBondContact O-N 3.14Å; L694-V697 PolarHBondContact O-N 3.11Å; L694-E698 HydrophobicContact CD1-CG 4.34Å; L694-E698 WeakPolarHBondContact O-CG 3.38Å; L694-E698 PolarHBondContact O-N 2.73Å; L694-P718 HydrophobicContact CB-CB 4.29Å; L694-P718 HydrophobicContact CD2-CB 4.43Å; L694-Q722 HydrophobicContact CD1-CB 3.19Å; L694-Q722 HydrophobicContact CD1-CG 3.41Å; L694-Q722 VanDerWaalsContact CD1-CG 3.41Å
695	I	92.4	Very high	91.7	Very high	51 Å²	51	25.8 Å²	25.8	26%	0.262	13%	0.133	S	C	.	.	H	α-helix	trans	-60.6	-38.8	180	-67.8	166.3	0	0	0	111.5	I673 Q691 Q692 E698 G699	I673-I695 HydrophobicContact CD1-CG2 3.71Å; Q691-I695 WeakPolarHBondContact O-CG1 3.21Å; Q691-I695 PolarHBondContact O-N 3.14Å; Q692-I695 PolarHBondContact O-N 3.22Å; Q692-I695 VanDerWaalsContact O-N 3.12Å; I695-E698 PolarHBondContact O-N 3.22Å; I695-G699 PolarHBondContact O-N 2.8Å
696	I	94.3	Very high	91.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.4	-46.6	176.5	-66.9	159.7	0	0	0	110.4	V611 L665 F685 T688 Q692 K693 L694 E698 G699 C700	V611-I696 HydrophobicContact CG1-CD1 3.66Å; V611-I696 HydrophobicContact CG2-CD1 4.33Å; V611-I696 HydrophobicContact CG2-CG2 4.08Å; L665-I696 HydrophobicContact CD2-CD1 3.77Å; L665-I696 HydrophobicContact CD2-CG1 3.93Å; F685-I696 HydrophobicContact CB-CD1 3.73Å; F685-I696 HydrophobicContact CD1-CD1 3.9Å; F685-I696 HydrophobicContact CD1-CG1 4.34Å; F685-I696 HydrophobicContact CD2-CD1 3.73Å; F685-I696 HydrophobicContact CD2-CG1 4.17Å; F685-I696 HydrophobicContact CD2-CG2 3.94Å; F685-I696 HydrophobicContact CE1-CD1 4.43Å; F685-I696 HydrophobicContact CE1-CG1 4.37Å; F685-I696 HydrophobicContact CE2-CD1 4.26Å; F685-I696 HydrophobicContact CE2-CG1 4.18Å; F685-I696 HydrophobicContact CE2-CG2 3.71Å; F685-I696 HydrophobicContact CG-CD1 3.52Å; F685-I696 HydrophobicContact CG-CG1 4.24Å; F685-I696 HydrophobicContact CZ-CG1 4.3Å; F685-I696 HydrophobicContact CZ-CG2 4.41Å; T688-I696 HydrophobicContact CG2-CD1 4.12Å; Q692-I696 WeakPolarHBondContact O-CD1 3.26Å; Q692-I696 VanDerWaalsContact O-CG1 3.3Å; Q692-I696 WeakPolarHBondContact O-CG1 3.46Å; Q692-I696 PolarHBondContact O-N 3.48Å; K693-I696 PolarHBondContact O-N 3.25Å; L694-I696 VanDerWaalsContact C-N 3.28Å; L694-I696 PolarHBondContact O-N 3.14Å; I696-E698 VanDerWaalsContact C-N 3.34Å; I696-E698 PolarHBondContact O-N 2.73Å; I696-G699 WeakPolarHBondContact O-CA 3.35Å; I696-G699 PolarHBondContact O-N 2.91Å; I696-G699 VanDerWaalsContact O-N 3.1Å; I696-C700 PolarHBondContact O-N 2.82Å
697	V	95.1	Very high	91.9	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	14%	0.136	C	C	.	.	H	α-helix	trans	-60.1	-44.9	176.8	173	0	0	0	0	111	K693 L694 G699 C700 Q701 V707 V709 A719 Q722	K693-V697 WeakPolarHBondContact O-CG2 3.38Å; K693-V697 PolarHBondContact O-N 2.75Å; L694-V697 PolarHBondContact O-N 3.11Å; V697-G699 VanDerWaalsContact C-N 3.27Å; V697-G699 PolarHBondContact O-N 2.85Å; V697-C700 PolarHBondContact O-N 2.64Å; V697-Q701 WeakPolarHBondContact O-CG 3.39Å; V697-Q701 PolarHBondContact O-N 3.27Å; V697-V707 HydrophobicContact CG1-CG1 4.13Å; V697-V709 HydrophobicContact CG1-CG2 4.31Å; V697-V709 HydrophobicContact CG2-CG2 3.45Å; V697-V709 VanDerWaalsContact CG2-CG2 3.45Å; V697-A719 HydrophobicContact CG2-CB 4.08Å; V697-Q722 HydrophobicContact CG1-CB 4.43Å; V697-Q722 HydrophobicContact CG1-CG 4.17Å
698	E	93.2	Very high	92.3	Very high	38 Å²	38	22.6 Å²	22.6	18%	0.178	12%	0.122	C	C	.	.	H	α-helix	trans	-62.2	-35.5	175.1	-69.3	-173.1	155	0	0	112	K32 L694 I695 I696 Q701 R702 Q722	K32-E698 IonicContact NZ-OE1 2.76Å; K32-E698 PolarHBondContact NZ-OE1 3.46Å; K32-E698 IonicContact NZ-OE2 3.7Å; K32-E698 PolarHBondContact NZ-OE2 3.46Å; L694-E698 HydrophobicContact CD1-CG 4.34Å; L694-E698 WeakPolarHBondContact O-CG 3.38Å; L694-E698 PolarHBondContact O-N 2.73Å; I695-E698 PolarHBondContact O-N 3.22Å; I696-E698 VanDerWaalsContact C-N 3.34Å; I696-E698 PolarHBondContact O-N 2.73Å; E698-Q701 PolarHBondContact O-N 2.66Å; E698-R702 WeakPolarHBondContact O-CB 3.29Å; E698-R702 VanDerWaalsContact O-CG 3.29Å; E698-R702 WeakPolarHBondContact O-CG 3.41Å; E698-R702 PolarHBondContact O-N 2.7Å; E698-Q722 HydrophobicContact CG-CG 3.89Å
699	G	93.6	Very high	92.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.5	-48.1	173.3	0	0	0	0	0	112.9	L677 I695 I696 V697 Q701 R702 Q703	L677-G699 VanDerWaalsContact CD1-C 3.46Å; I695-G699 PolarHBondContact O-N 2.8Å; I696-G699 WeakPolarHBondContact O-CA 3.35Å; I696-G699 PolarHBondContact O-N 2.91Å; I696-G699 VanDerWaalsContact O-N 3.1Å; V697-G699 VanDerWaalsContact C-N 3.27Å; V697-G699 PolarHBondContact O-N 2.85Å; G699-Q701 PolarHBondContact O-N 3.26Å; G699-R702 VanDerWaalsContact CA-NH2 3.29Å; G699-R702 PolarHBondContact O-N 3.33Å; G699-Q703 PolarHBondContact O-N 3.22Å
700	C	94.9	Very high	93.1	Very high	6 Å²	6	21.8 Å²	21.8	4%	0.041	12%	0.116	C	C	.	.	H	α-helix	trans	-62.1	-43.8	175.5	-66.2	0	0	0	0	111.6	I696 V697 R702 Q703 A705 V707	I696-C700 PolarHBondContact O-N 2.82Å; V697-C700 PolarHBondContact O-N 2.64Å; C700-R702 VanDerWaalsContact C-N 3.35Å; C700-R702 PolarHBondContact O-N 3.5Å; C700-Q703 WeakPolarHBondContact O-CB 3.29Å; C700-Q703 PolarHBondContact O-N 3Å; C700-A705 WeakPolarHBondContact O-CB 3.41Å; C700-V707 HydrophobicContact CB-CG1 4.45Å; C700-V707 HydrophobicContact CB-CG2 3.4Å; C700-V707 VanDerWaalsContact CB-CG2 3.4Å
701	Q	93.7	Very high	93.4	Very high	41 Å²	41	21.5 Å²	21.5	19%	0.192	12%	0.115	C	C	.	.	H	α-helix	trans	-64.7	-35.2	178.2	-72.4	177.3	-27.1	0	0	113	V697 E698 G699 Q703 G704 V707 Q722 D724	V697-Q701 WeakPolarHBondContact O-CG 3.39Å; V697-Q701 PolarHBondContact O-N 3.27Å; E698-Q701 PolarHBondContact O-N 2.66Å; G699-Q701 PolarHBondContact O-N 3.26Å; Q701-Q703 PolarHBondContact O-N 3.23Å; Q701-G704 PolarHBondContact O-N 2.93Å; Q701-V707 HydrophobicContact CG-CB 4.21Å; Q701-V707 HydrophobicContact CG-CG2 3.72Å; Q701-Q722 PolarHBondContact NE2-O 3.18Å; Q701-D724 PolarHBondContact NE2-OD2 3.32Å
702	R	92.7	Very high	93.5	Very high	110 Å²	110	21.2 Å²	21.2	42%	0.415	11%	0.114	S	C	.	.	H	α-helix	trans	-61.9	-28.8	175.7	-79.9	-169.4	-51.7	-89.3	4	113	D674 E698 G699 C700 G704	D674-R702 IonicContact OD1-CZ 3.74Å; D674-R702 IonicContact OD1-NE 3.31Å; D674-R702 PolarHBondContact OD1-NE 2.95Å; D674-R702 IonicContact OD1-NH2 2.8Å; D674-R702 PolarHBondContact OD1-NH2 3.37Å; D674-R702 IonicContact OD2-NE 2.75Å; D674-R702 PolarHBondContact OD2-NE 3.03Å; D674-R702 IonicContact OD2-NH2 3.04Å; E698-R702 WeakPolarHBondContact O-CB 3.29Å; E698-R702 VanDerWaalsContact O-CG 3.29Å; E698-R702 WeakPolarHBondContact O-CG 3.41Å; E698-R702 PolarHBondContact O-N 2.7Å; G699-R702 VanDerWaalsContact CA-NH2 3.29Å; G699-R702 PolarHBondContact O-N 3.33Å; C700-R702 VanDerWaalsContact C-N 3.35Å; C700-R702 PolarHBondContact O-N 3.5Å; R702-G704 PolarHBondContact O-N 3.45Å
703	Q	89.6	Confident	93.2	Very high	87 Å²	87	21.2 Å²	21.2	41%	0.407	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-3.4	173.8	-59.8	-61.5	-31.1	0	0	113.2	D674 G699 C700 Q701 A705	D674-Q703 VanDerWaalsContact CB-NE2 3.26Å; G699-Q703 PolarHBondContact O-N 3.22Å; C700-Q703 WeakPolarHBondContact O-CB 3.29Å; C700-Q703 PolarHBondContact O-N 3Å; Q701-Q703 PolarHBondContact O-N 3.23Å; Q703-A705 VanDerWaalsContact C-N 3.33Å
704	G	90.1	Very high	92.9	Very high	47 Å²	47	21.4 Å²	21.4	49%	0.485	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	7.4	-175.7	0	0	0	0	0	114.2	Q701 R702	Q701-G704 PolarHBondContact O-N 2.93Å; R702-G704 PolarHBondContact O-N 3.45Å
705	A	93.1	Very high	92.7	Very high	20 Å²	20	21.5 Å²	21.5	17%	0.165	12%	0.118	C	C	.	.			trans	-73	146.5	173.5	0	0	0	0	0	111.4	S367 C700 Q703 V707	S367-A705 WeakPolarHBondContact OG-CA 3.25Å; S367-A705 VanDerWaalsContact OG-CB 3.24Å; S367-A705 WeakPolarHBondContact OG-CB 3.31Å; C700-A705 WeakPolarHBondContact O-CB 3.41Å; Q703-A705 VanDerWaalsContact C-N 3.33Å; A705-V707 HydrophobicContact CB-CG2 4.49Å
706	I	95.9	Very high	92.7	Very high	12 Å²	12	19.1 Å²	19.1	6%	0.062	11%	0.106	C	C	.	.			trans	-89.2	117.6	169.7	-55.3	-52.5	0	0	0	107.6	P279 T362 S365 S367 T368 D724 P834	P279-I706 HydrophobicContact CG-CD1 3.94Å; P279-I706 HydrophobicContact CG-CG1 4.3Å; P279-I706 HydrophobicContact CG-CG2 3.97Å; T362-I706 HydrophobicContact CG2-CG2 3.96Å; S365-I706 WeakPolarHBondContact O-CB 3.44Å; S367-I706 PolarHBondContact N-O 2.69Å; S367-I706 PolarHBondContact OG-N 3.01Å; S367-I706 PolarHBondContact OG-O 2.57Å; T368-I706 PolarHBondContact N-O 3.47Å; T368-I706 VanDerWaalsContact N-O 3.17Å; I706-D724 HydrophobicContact CG2-CB 3.86Å; I706-P834 HydrophobicContact CD1-CB 4.47Å; I706-P834 HydrophobicContact CD1-CG 4.41Å
707	V	96.6	Very high	92.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120.8	-168.2	-172.9	0	0	0	0	110.7	T368 V697 C700 Q701 A705 V709 D724 I725	T368-V707 WeakPolarHBondContact O-CA 3.39Å; V697-V707 HydrophobicContact CG1-CG1 4.13Å; C700-V707 HydrophobicContact CB-CG1 4.45Å; C700-V707 HydrophobicContact CB-CG2 3.4Å; C700-V707 VanDerWaalsContact CB-CG2 3.4Å; Q701-V707 HydrophobicContact CG-CB 4.21Å; Q701-V707 HydrophobicContact CG-CG2 3.72Å; A705-V707 HydrophobicContact CB-CG2 4.49Å; V707-V709 HydrophobicContact CG1-CG2 4.38Å; V707-D724 PolarHBondContact N-OD2 3.5Å; V707-D724 PolarHBondContact O-N 3.29Å; V707-I725 PolarHBondContact O-N 3.21Å
708	A	97	Very high	92.2	Very high	1 Å²	1	19 Å²	19	1%	0.008	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	138	165.9	0	0	0	0	0	109.8	L363 T366 T368 I369 C370 I725	L363-A708 HydrophobicContact CD1-CB 4.33Å; T366-A708 HydrophobicContact CG2-CB 3.58Å; T368-A708 PolarHBondContact O-N 2.85Å; I369-A708 CarbonylContact C-O 3.58Å; I369-A708 WeakPolarHBondContact CA-O 3.43Å; I369-A708 HydrophobicContact CG1-CB 4.18Å; C370-A708 PolarHBondContact N-O 3.36Å; A708-I725 WeakPolarHBondContact CA-O 3.29Å; A708-I725 HydrophobicContact CB-CG2 3.48Å; A708-I725 VanDerWaalsContact CB-CG2 3.48Å
709	V	97.3	Very high	92.2	Very high	6 Å²	6	17.3 Å²	17.3	4%	0.036	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.3	173.6	175.6	0	0	0	0	109.5	C370 V697 V707 A719 L720 A723 I725 V727	C370-V709 HydrophobicContact CB-CG2 4.11Å; C370-V709 CarbonylContact O-C 3.49Å; C370-V709 VanDerWaalsContact O-CA 3.26Å; C370-V709 WeakPolarHBondContact O-CA 3.39Å; V697-V709 HydrophobicContact CG1-CG2 4.31Å; V697-V709 HydrophobicContact CG2-CG2 3.45Å; V697-V709 VanDerWaalsContact CG2-CG2 3.45Å; V707-V709 HydrophobicContact CG1-CG2 4.38Å; V709-A719 HydrophobicContact CG1-CB 4.08Å; V709-L720 HydrophobicContact CB-CD2 4.17Å; V709-L720 HydrophobicContact CG1-CD2 3.87Å; V709-L720 HydrophobicContact CG1-CG 4.12Å; V709-L720 VanDerWaalsContact O-CD2 3.3Å; V709-L720 WeakPolarHBondContact O-CD2 3.37Å; V709-A723 HydrophobicContact CB-CB 3.85Å; V709-A723 HydrophobicContact CG2-CB 3.53Å; V709-I725 PolarHBondContact N-O 3.28Å; V709-V727 PolarHBondContact O-N 2.88Å
710	T	95.9	Very high	92.2	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.012	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.9	175.1	50.8	0	0	0	0	109.9	I369 C370 S371 D372 V727 F750 I753	I369-T710 HydrophobicContact CG2-CG2 4.42Å; C370-T710 PolarHBondContact O-N 2.94Å; S371-T710 WeakPolarHBondContact CA-OG1 3.23Å; S371-T710 WeakPolarHBondContact CB-OG1 3.31Å; S371-T710 PolarHBondContact OG-OG1 3.32Å; D372-T710 PolarHBondContact N-O 3.22Å; T710-V727 WeakPolarHBondContact CA-O 3.37Å; T710-V727 HydrophobicContact CG2-CB 3.78Å; T710-V727 HydrophobicContact CG2-CG1 4.16Å; T710-V727 HydrophobicContact CG2-CG2 4.31Å; T710-F750 HydrophobicContact CG2-CE2 4.25Å; T710-I753 HydrophobicContact CG2-CD1 3.44Å; T710-I753 VanDerWaalsContact CG2-CD1 3.44Å; T710-I753 HydrophobicContact CG2-CG1 4.43Å
711	G	92.6	Very high	92	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	165.5	-176.3	0	0	0	0	0	113.4	T376 D716 V727 A728 M729	T376-G711 WeakPolarHBondContact OG1-CA 3.14Å; G711-D716 WeakPolarHBondContact CA-OD2 2.82Å; G711-V727 PolarHBondContact N-O 3.15Å; G711-V727 VanDerWaalsContact N-O 3.11Å; G711-A728 WeakPolarHBondContact O-CA 3.28Å; G711-M729 PolarHBondContact O-N 2.68Å
712	D	90.3	Very high	91.9	Very high	8 Å²	8	17.9 Å²	17.9	4%	0.043	10%	0.1	C	C	.	.			trans	-126.9	-35.7	-179.6	74.9	-42.3	0	0	0	111.2	G375 T376 D716 M729 G733 S734 S737	G375-D712 WeakPolarHBondContact CA-OD2 3.16Å; T376-D712 PolarHBondContact OG1-N 2.76Å; D712-D716 PolarHBondContact N-OD2 2.96Å; D712-D716 VanDerWaalsContact N-OD2 3.1Å; D712-M729 HydrophobicContact CB-CB 4.01Å; D712-M729 HydrophobicContact CB-CG 3.82Å; D712-G733 CarbonylContact O-C 3.38Å; D712-G733 WeakPolarHBondContact O-CA 3.34Å; D712-S734 PolarHBondContact O-N 2.94Å; D712-S734 PolarHBondContact O-OG 3.43Å; D712-S737 VanDerWaalsContact O-CB 3.32Å; D712-S737 WeakPolarHBondContact O-CB 3.17Å; D712-S737 PolarHBondContact O-OG 2.96Å
713	G	85	Confident	92	Very high	10 Å²	10	13.1 Å²	13.1	10%	0.103	8%	0.083	C	C	.	.	S	Bend	trans	-79.9	168.5	-174.8	0	0	0	0	0	115.1	N715 D716 S737	G713-N715 VanDerWaalsContact C-N 3.3Å; G713-N715 VanDerWaalsContact C-OD1 3.22Å; G713-N715 WeakPolarHBondContact CA-OD1 3.43Å; G713-D716 PolarHBondContact N-OD2 3.44Å; G713-D716 PolarHBondContact O-N 3.44Å; G713-S737 WeakPolarHBondContact O-CB 3.36Å
714	V	86.5	Confident	92.2	Very high	8 Å²	8	10.2 Å²	10.2	5%	0.048	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-71.4	-29.7	177.6	175.1	0	0	0	0	111.1	F157 M160 A213 M263 D716 S717 V736	F157-V714 HydrophobicContact CE1-CG1 4.08Å; M160-V714 HydrophobicContact CE-CG1 4.46Å; M160-V714 HydrophobicContact SD-CG2 4.32Å; A213-V714 HydrophobicContact CB-CB 4.47Å; A213-V714 HydrophobicContact CB-CG2 4.47Å; A213-V714 WeakPolarHBondContact O-CB 3.28Å; M263-V714 HydrophobicContact CE-CG1 3.24Å; M263-V714 HydrophobicContact SD-CG1 3.77Å; V714-D716 PolarHBondContact O-N 3.3Å; V714-S717 VanDerWaalsContact O-CB 3.29Å; V714-S717 WeakPolarHBondContact O-CB 3.47Å; V714-S717 PolarHBondContact O-N 3.43Å; V714-S717 VanDerWaalsContact O-N 3.11Å; V714-S717 PolarHBondContact O-OG 3.1Å; V714-V736 HydrophobicContact CG1-CB 4.39Å; V714-V736 HydrophobicContact CG1-CG1 4.26Å; V714-V736 HydrophobicContact CG1-CG2 4.37Å; V714-V736 HydrophobicContact CG2-CB 4.1Å; V714-V736 HydrophobicContact CG2-CG2 4.07Å
715	N	87.2	Confident	92.4	Very high	2 Å²	2	8 Å²	8	1%	0.011	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-57.5	-26.3	171.1	58.3	-35.9	0	0	0	113.6	A213 P690 K693 G713 S717 P718	A213-N715 PolarHBondContact O-N 2.93Å; P690-N715 HydrophobicContact CB-CB 4.37Å; P690-N715 WeakPolarHBondContact CB-O 3.45Å; P690-N715 HydrophobicContact CG-CB 3.8Å; K693-N715 PolarHBondContact NZ-ND2 3.28Å; G713-N715 VanDerWaalsContact C-N 3.3Å; G713-N715 VanDerWaalsContact C-OD1 3.22Å; G713-N715 WeakPolarHBondContact CA-OD1 3.43Å; N715-S717 VanDerWaalsContact C-N 3.34Å; N715-P718 WeakPolarHBondContact O-CD 3.34Å
716	D	91.4	Very high	92.4	Very high	2 Å²	2	7 Å²	7	1%	0.011	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-82	-14.5	178.2	-61.4	-39.7	0	0	0	113.1	K693 G711 D712 G713 V714 P718 A719 L720	K693-D716 WeakPolarHBondContact CD-OD1 3.17Å; K693-D716 WeakPolarHBondContact CE-OD1 3.32Å; K693-D716 IonicContact NZ-OD1 3.06Å; K693-D716 PolarHBondContact NZ-OD1 3.42Å; G711-D716 WeakPolarHBondContact CA-OD2 2.82Å; D712-D716 PolarHBondContact N-OD2 2.96Å; D712-D716 VanDerWaalsContact N-OD2 3.1Å; G713-D716 PolarHBondContact N-OD2 3.44Å; G713-D716 PolarHBondContact O-N 3.44Å; V714-D716 PolarHBondContact O-N 3.3Å; D716-P718 VanDerWaalsContact C-CD 3.47Å; D716-A719 PolarHBondContact O-N 3.22Å; D716-L720 HydrophobicContact CB-CD1 3.83Å; D716-L720 HydrophobicContact CB-CG 4.09Å; D716-L720 WeakPolarHBondContact O-CB 3.38Å; D716-L720 WeakPolarHBondContact O-CG 3.49Å; D716-L720 PolarHBondContact O-N 3.5Å
717	S	89.6	Confident	92.4	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-56.7	-38	-172	64.2	0	0	0	0	115.1	V714 N715 K721	V714-S717 VanDerWaalsContact O-CB 3.29Å; V714-S717 WeakPolarHBondContact O-CB 3.47Å; V714-S717 PolarHBondContact O-N 3.43Å; V714-S717 VanDerWaalsContact O-N 3.11Å; V714-S717 PolarHBondContact O-OG 3.1Å; N715-S717 VanDerWaalsContact C-N 3.34Å; S717-K721 WeakPolarHBondContact O-CB 3.22Å; S717-K721 PolarHBondContact O-N 3.4Å; S717-K721 VanDerWaalsContact O-N 3.16Å
718	P	90.3	Very high	92.3	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-68.6	-41.5	174.9	-18.5	34.5	0	0	0	112.2	I266 L269 A270 L273 L694 N715 D716 K721 Q722	I266-P718 HydrophobicContact CG2-CG 4Å; L269-P718 HydrophobicContact CD2-CB 4.05Å; L269-P718 HydrophobicContact CD2-CG 4.25Å; L269-P718 HydrophobicContact CG-CB 4.26Å; A270-P718 HydrophobicContact CB-CG 4.44Å; L273-P718 HydrophobicContact CD1-CB 4.21Å; L273-P718 WeakPolarHBondContact CD1-O 3.48Å; L694-P718 HydrophobicContact CB-CB 4.29Å; L694-P718 HydrophobicContact CD2-CB 4.43Å; N715-P718 WeakPolarHBondContact O-CD 3.34Å; D716-P718 VanDerWaalsContact C-CD 3.47Å; P718-K721 PolarHBondContact O-N 3.09Å; P718-Q722 WeakPolarHBondContact O-CB 3.39Å; P718-Q722 PolarHBondContact O-N 3.2Å; P718-Q722 VanDerWaalsContact O-N 3.08Å
719	A	93.6	Very high	92.1	Very high	2 Å²	2	6.6 Å²	6.6	2%	0.017	4%	0.038	C	C	.	.	H	α-helix	trans	-67.7	-45	179.6	0	0	0	0	0	111.6	K693 V697 V709 D716 K721 Q722 A723	K693-A719 HydrophobicContact CB-CB 3.88Å; V697-A719 HydrophobicContact CG2-CB 4.08Å; V709-A719 HydrophobicContact CG1-CB 4.08Å; D716-A719 PolarHBondContact O-N 3.22Å; A719-K721 PolarHBondContact O-N 3.14Å; A719-Q722 PolarHBondContact O-N 3.28Å; A719-A723 WeakPolarHBondContact O-CB 3.39Å; A719-A723 PolarHBondContact O-N 3.4Å
720	L	93.4	Very high	91.6	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-57	-37.3	174.2	-75.6	169	0	0	0	112.1	V709 D716 G726 V727 A740 A741	V709-L720 HydrophobicContact CB-CD2 4.17Å; V709-L720 HydrophobicContact CG1-CD2 3.87Å; V709-L720 HydrophobicContact CG1-CG 4.12Å; V709-L720 VanDerWaalsContact O-CD2 3.3Å; V709-L720 WeakPolarHBondContact O-CD2 3.37Å; D716-L720 HydrophobicContact CB-CD1 3.83Å; D716-L720 HydrophobicContact CB-CG 4.09Å; D716-L720 WeakPolarHBondContact O-CB 3.38Å; D716-L720 WeakPolarHBondContact O-CG 3.49Å; D716-L720 PolarHBondContact O-N 3.5Å; L720-G726 WeakPolarHBondContact O-CA 2.86Å; L720-V727 WeakPolarHBondContact CD2-O 3.24Å; L720-A740 HydrophobicContact CB-CB 4.25Å; L720-A741 HydrophobicContact CD2-CB 4.42Å
721	K	89.5	Confident	91.2	Very high	18 Å²	18	13 Å²	13	8%	0.078	8%	0.075	C	C	.	.	H	α-helix	trans	-79	-32.9	-178.3	-167	55.2	166.6	176.7	0	113.8	I153 A270 L273 I275 S717 P718 A719	I153-K721 HydrophobicContact CD1-CD 4Å; A270-K721 WeakPolarHBondContact O-CG 3.44Å; L273-K721 HydrophobicContact CB-CG 4.3Å; I275-K721 VanDerWaalsContact CD1-NZ 3.25Å; I275-K721 HydrophobicContact CG1-CD 4.44Å; S717-K721 WeakPolarHBondContact O-CB 3.22Å; S717-K721 PolarHBondContact O-N 3.4Å; S717-K721 VanDerWaalsContact O-N 3.16Å; P718-K721 PolarHBondContact O-N 3.09Å; A719-K721 PolarHBondContact O-N 3.14Å
722	Q	92.5	Very high	90.7	Very high	41 Å²	41	15 Å²	15	19%	0.192	9%	0.091	C	C	.	.	H	α-helix	trans	-79.3	-27.5	177.7	-179.4	60.2	31.3	0	0	112.7	L273 L694 V697 E698 Q701 P718 A719	L273-Q722 HydrophobicContact CD1-CB 4.33Å; L694-Q722 HydrophobicContact CD1-CB 3.19Å; L694-Q722 HydrophobicContact CD1-CG 3.41Å; L694-Q722 VanDerWaalsContact CD1-CG 3.41Å; V697-Q722 HydrophobicContact CG1-CB 4.43Å; V697-Q722 HydrophobicContact CG1-CG 4.17Å; E698-Q722 HydrophobicContact CG-CG 3.89Å; Q701-Q722 PolarHBondContact NE2-O 3.18Å; P718-Q722 WeakPolarHBondContact O-CB 3.39Å; P718-Q722 PolarHBondContact O-N 3.2Å; P718-Q722 VanDerWaalsContact O-N 3.08Å; A719-Q722 PolarHBondContact O-N 3.28Å
723	A	94.4	Very high	90.4	Very high	9 Å²	9	14.9 Å²	14.9	7%	0.074	9%	0.092	C	C	.	.	S	Bend	trans	-52.6	152.6	176.4	0	0	0	0	0	112	V709 A719 I725	V709-A723 HydrophobicContact CB-CB 3.85Å; V709-A723 HydrophobicContact CG2-CB 3.53Å; A719-A723 WeakPolarHBondContact O-CB 3.39Å; A719-A723 PolarHBondContact O-N 3.4Å; A723-I725 WeakPolarHBondContact CB-O 3.42Å; A723-I725 PolarHBondContact O-N 3.48Å
724	D	94.1	Very high	90.4	Very high	27 Å²	27	15.9 Å²	15.9	14%	0.144	10%	0.097	C	C	.	.	S	Bend	trans	-65.6	-29.9	170.3	-61.6	-81.4	0	0	0	110.5	T362 Q701 I706 V707	T362-D724 HydrophobicContact CG2-CB 3.8Å; Q701-D724 PolarHBondContact NE2-OD2 3.32Å; I706-D724 HydrophobicContact CG2-CB 3.86Å; V707-D724 PolarHBondContact N-OD2 3.5Å; V707-D724 PolarHBondContact O-N 3.29Å
725	I	93.9	Very high	90.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	121.1	167.9	-175.7	176.3	0	0	0	111.1	A359 T362 L363 V707 A708 V709 A723 V727 D742 M743	A359-I725 HydrophobicContact CB-CD1 3.93Å; A359-I725 HydrophobicContact CB-CG1 4.11Å; A359-I725 VanDerWaalsContact O-CD1 3.29Å; A359-I725 WeakPolarHBondContact O-CD1 3.26Å; T362-I725 HydrophobicContact CG2-CB 3.77Å; T362-I725 HydrophobicContact CG2-CG2 3.84Å; L363-I725 HydrophobicContact CB-CD1 3.86Å; L363-I725 HydrophobicContact CD1-CD1 4.35Å; L363-I725 HydrophobicContact CD1-CG2 4.4Å; L363-I725 HydrophobicContact CG-CD1 4.48Å; V707-I725 PolarHBondContact O-N 3.21Å; A708-I725 WeakPolarHBondContact CA-O 3.29Å; A708-I725 HydrophobicContact CB-CG2 3.48Å; A708-I725 VanDerWaalsContact CB-CG2 3.48Å; V709-I725 PolarHBondContact N-O 3.28Å; A723-I725 WeakPolarHBondContact CB-O 3.42Å; A723-I725 PolarHBondContact O-N 3.48Å; I725-V727 HydrophobicContact CD1-CG2 4.47Å; I725-V727 HydrophobicContact CG1-CG2 4.35Å; I725-D742 HydrophobicContact CG1-CB 4.33Å; I725-M743 HydrophobicContact CD1-CB 4.46Å; I725-M743 HydrophobicContact CD1-CE 3.79Å; I725-M743 HydrophobicContact CD1-SD 4.31Å
726	G	94.2	Very high	90.1	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.9	168.4	0	0	0	0	0	111.9	L720 A741 D742 M743	L720-G726 WeakPolarHBondContact O-CA 2.86Å; G726-A741 WeakPolarHBondContact O-CB 3.15Å; G726-D742 PolarHBondContact N-OD2 3.15Å; G726-D742 PolarHBondContact O-N 3.06Å; G726-M743 PolarHBondContact O-N 3.29Å
727	V	95.3	Very high	89.9	Confident	2 Å²	2	19.9 Å²	19.9	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119	177.9	-176.4	0	0	0	0	109.5	V709 T710 G711 L720 I725 M743 L745 I753	V709-V727 PolarHBondContact O-N 2.88Å; T710-V727 WeakPolarHBondContact CA-O 3.37Å; T710-V727 HydrophobicContact CG2-CB 3.78Å; T710-V727 HydrophobicContact CG2-CG1 4.16Å; T710-V727 HydrophobicContact CG2-CG2 4.31Å; G711-V727 PolarHBondContact N-O 3.15Å; G711-V727 VanDerWaalsContact N-O 3.11Å; L720-V727 WeakPolarHBondContact CD2-O 3.24Å; I725-V727 HydrophobicContact CD1-CG2 4.47Å; I725-V727 HydrophobicContact CG1-CG2 4.35Å; V727-M743 WeakPolarHBondContact CA-O 3.33Å; V727-M743 HydrophobicContact CG2-CB 4.32Å; V727-M743 HydrophobicContact CG2-SD 4.26Å; V727-L745 HydrophobicContact CG1-CD1 3.86Å; V727-L745 HydrophobicContact CG1-CD2 3.93Å; V727-L745 HydrophobicContact CG1-CG 3.67Å; V727-I753 HydrophobicContact CG1-CG1 4.46Å
728	A	93.6	Very high	89.8	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	148.8	179.1	0	0	0	0	0	112.9	G711 K738 A741 M743 I744 L745	G711-A728 WeakPolarHBondContact O-CA 3.28Å; A728-K738 HydrophobicContact CB-CG 4.18Å; A728-A741 HydrophobicContact CB-CB 3.55Å; A728-M743 PolarHBondContact N-O 3.2Å; A728-I744 WeakPolarHBondContact O-CA 3.36Å; A728-L745 PolarHBondContact O-N 3.34Å
729	M	92.8	Very high	89.5	Confident	2 Å²	2	24.8 Å²	24.8	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	134.3	171	-54.8	-54.8	-84.2	0	0	110.5	T376 G711 D712 A732 G733 K738 L745 D748	T376-M729 HydrophobicContact CG2-SD 4.43Å; G711-M729 PolarHBondContact O-N 2.68Å; D712-M729 HydrophobicContact CB-CB 4.01Å; D712-M729 HydrophobicContact CB-CG 3.82Å; M729-A732 HydrophobicContact CB-CB 4.32Å; M729-G733 VanDerWaalsContact O-CA 3.26Å; M729-G733 WeakPolarHBondContact O-CA 3.38Å; M729-G733 PolarHBondContact O-N 3.48Å; M729-K738 WeakPolarHBondContact O-CE 3.49Å; M729-L745 HydrophobicContact SD-CD1 4.16Å; M729-D748 WeakPolarHBondContact CB-OD1 3.11Å; M729-D748 HydrophobicContact CE-CB 3.63Å; M729-D748 WeakPolarHBondContact CE-O 3.44Å
730	G	87.8	Confident	89.2	Confident	18 Å²	18	24.7 Å²	24.7	19%	0.186	14%	0.14	C	C	.	.	S	Bend	trans	-79.9	-31.9	-173.8	0	0	0	0	0	114.2	K738 L745 D748	G730-K738 WeakPolarHBondContact O-CE 3.32Å; G730-K738 PolarHBondContact O-NZ 3.42Å; G730-L745 WeakPolarHBondContact CA-O 3.38Å; G730-L745 PolarHBondContact N-O 2.87Å; G730-D748 PolarHBondContact N-OD1 2.99Å
731	I	86.3	Confident	89	Confident	125 Å²	125	24.8 Å²	24.8	64%	0.641	14%	0.14	S	C	*	.	S	Bend	trans	-102.5	-60.7	-178.7	-51	173	0	0	0	109.4	G733 D748	I731-G733 VanDerWaalsContact C-N 3.29Å; I731-G733 PolarHBondContact O-N 2.89Å; I731-D748 WeakPolarHBondContact CB-OD2 3.47Å; I731-D748 PolarHBondContact N-OD1 2.93Å
732	A	83.3	Confident	89	Confident	41 Å²	41	24.4 Å²	24.4	34%	0.339	14%	0.139	S	C	.	.	S	Bend	trans	-68.1	-27.1	-179.7	0	0	0	0	0	113.3	M729 D748	M729-A732 HydrophobicContact CB-CB 4.32Å; A732-D748 WeakPolarHBondContact CB-OD2 3.44Å; A732-D748 PolarHBondContact N-OD2 3.28Å
733	G	82.9	Confident	89	Confident	6 Å²	6	22.5 Å²	22.5	6%	0.062	13%	0.13	C	C	.	.	S	Bend	trans	-65.9	140.2	-175.7	0	0	0	0	0	113.6	D712 M729 I731 K738	D712-G733 CarbonylContact O-C 3.38Å; D712-G733 WeakPolarHBondContact O-CA 3.34Å; M729-G733 VanDerWaalsContact O-CA 3.26Å; M729-G733 WeakPolarHBondContact O-CA 3.38Å; M729-G733 PolarHBondContact O-N 3.48Å; I731-G733 VanDerWaalsContact C-N 3.29Å; I731-G733 PolarHBondContact O-N 2.89Å; G733-K738 WeakPolarHBondContact O-CE 3.4Å; G733-K738 PolarHBondContact O-NZ 3.49Å
734	S	85.2	Confident	88.8	Confident	30 Å²	30	23 Å²	23	21%	0.21	13%	0.132	C	C	.	.			trans	-61.7	154.4	167.7	68.9	0	0	0	0	111.6	D712 V736 S737 K738	D712-S734 PolarHBondContact O-N 2.94Å; D712-S734 PolarHBondContact O-OG 3.43Å; S734-V736 PolarHBondContact O-N 3.22Å; S734-S737 PolarHBondContact N-OG 3.12Å; S734-S737 PolarHBondContact O-N 3.16Å; S734-S737 PolarHBondContact O-OG 3.27Å; S734-S737 PolarHBondContact OG-N 3.34Å; S734-S737 VanDerWaalsContact OG-N 3.13Å; S734-S737 PolarHBondContact OG-OG 2.92Å; S734-K738 WeakPolarHBondContact O-CG 3.29Å; S734-K738 PolarHBondContact O-N 2.82Å
735	D	83.2	Confident	88.8	Confident	97 Å²	97	21.7 Å²	21.7	52%	0.519	13%	0.125	S	C	.	.	H	α-helix	trans	-59.2	-30.9	174.6	-77.1	-23.7	0	0	0	111.8	Q739	D735-Q739 VanDerWaalsContact O-CG 3.28Å; D735-Q739 WeakPolarHBondContact O-CG 3.43Å; D735-Q739 PolarHBondContact O-N 3.49Å; D735-Q739 VanDerWaalsContact O-N 3.07Å
736	V	84.4	Confident	88.6	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.9	-49.6	178.1	-179.8	0	0	0	0	111.7	F157 M160 V714 S734 K738 Q739 A740	F157-V736 HydrophobicContact CD1-CG1 4.27Å; F157-V736 HydrophobicContact CD1-CG2 3.87Å; F157-V736 HydrophobicContact CD2-CG1 4.34Å; F157-V736 HydrophobicContact CE1-CB 4.23Å; F157-V736 HydrophobicContact CE1-CG1 3.42Å; F157-V736 VanDerWaalsContact CE1-CG1 3.42Å; F157-V736 HydrophobicContact CE1-CG2 3.74Å; F157-V736 HydrophobicContact CE2-CG1 3.59Å; F157-V736 HydrophobicContact CG-CG2 4.3Å; F157-V736 HydrophobicContact CZ-CB 4.28Å; F157-V736 HydrophobicContact CZ-CG1 3.08Å; F157-V736 HydrophobicContact CZ-CG2 4.2Å; M160-V736 HydrophobicContact CE-CG2 3.31Å; M160-V736 HydrophobicContact SD-CG2 3.87Å; V714-V736 HydrophobicContact CG1-CB 4.39Å; V714-V736 HydrophobicContact CG1-CG1 4.26Å; V714-V736 HydrophobicContact CG1-CG2 4.37Å; V714-V736 HydrophobicContact CG2-CB 4.1Å; V714-V736 HydrophobicContact CG2-CG2 4.07Å; S734-V736 PolarHBondContact O-N 3.22Å; V736-K738 VanDerWaalsContact C-N 3.31Å; V736-K738 PolarHBondContact O-N 3.47Å; V736-Q739 PolarHBondContact O-N 3.47Å; V736-Q739 VanDerWaalsContact O-N 3.13Å; V736-A740 WeakPolarHBondContact O-CB 3.18Å; V736-A740 PolarHBondContact O-N 3.42Å
737	S	87.9	Confident	88.3	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.9	-43.6	-179.8	61.4	0	0	0	0	110.7	D712 G713 S734 Q739 A740 A741	D712-S737 VanDerWaalsContact O-CB 3.32Å; D712-S737 WeakPolarHBondContact O-CB 3.17Å; D712-S737 PolarHBondContact O-OG 2.96Å; G713-S737 WeakPolarHBondContact O-CB 3.36Å; S734-S737 PolarHBondContact N-OG 3.12Å; S734-S737 PolarHBondContact O-N 3.16Å; S734-S737 PolarHBondContact O-OG 3.27Å; S734-S737 PolarHBondContact OG-N 3.34Å; S734-S737 VanDerWaalsContact OG-N 3.13Å; S734-S737 PolarHBondContact OG-OG 2.92Å; S737-Q739 VanDerWaalsContact C-N 3.31Å; S737-Q739 PolarHBondContact O-N 3.08Å; S737-A740 PolarHBondContact O-N 3Å; S737-A741 VanDerWaalsContact O-CB 3.3Å; S737-A741 WeakPolarHBondContact O-CB 3.42Å; S737-A741 PolarHBondContact O-N 3.32Å
738	K	86.9	Confident	87.9	Confident	36 Å²	36	28.4 Å²	28.4	16%	0.157	16%	0.16	C	C	.	.	H	α-helix	trans	-59.2	-37.3	174.2	-67.9	170.7	-170.3	164.6	0	113.2	K355 A728 M729 G730 G733 S734 V736 I744	K355-K738 PolarHBondContact NZ-O 3.19Å; A728-K738 HydrophobicContact CB-CG 4.18Å; M729-K738 WeakPolarHBondContact O-CE 3.49Å; G730-K738 WeakPolarHBondContact O-CE 3.32Å; G730-K738 PolarHBondContact O-NZ 3.42Å; G733-K738 WeakPolarHBondContact O-CE 3.4Å; G733-K738 PolarHBondContact O-NZ 3.49Å; S734-K738 WeakPolarHBondContact O-CG 3.29Å; S734-K738 PolarHBondContact O-N 2.82Å; V736-K738 VanDerWaalsContact C-N 3.31Å; V736-K738 PolarHBondContact O-N 3.47Å; K738-I744 HydrophobicContact CB-CD1 4.05Å; K738-I744 HydrophobicContact CG-CD1 4.42Å
739	Q	84.5	Confident	87.5	Confident	66 Å²	66	31.1 Å²	31.1	31%	0.308	17%	0.174	S	C	.	.	H	α-helix	trans	-76.6	-34.7	176.8	-70.1	-53.8	-41.2	0	0	112.8	I153 K355 D735 V736 S737	I153-Q739 HydrophobicContact CB-CB 4.49Å; I153-Q739 HydrophobicContact CG1-CB 4.11Å; I153-Q739 WeakPolarHBondContact CG1-O 3.37Å; K355-Q739 VanDerWaalsContact NZ-C 3.33Å; K355-Q739 PolarHBondContact NZ-O 2.75Å; D735-Q739 VanDerWaalsContact O-CG 3.28Å; D735-Q739 WeakPolarHBondContact O-CG 3.43Å; D735-Q739 PolarHBondContact O-N 3.49Å; D735-Q739 VanDerWaalsContact O-N 3.07Å; V736-Q739 PolarHBondContact O-N 3.47Å; V736-Q739 VanDerWaalsContact O-N 3.13Å; S737-Q739 VanDerWaalsContact C-N 3.31Å; S737-Q739 PolarHBondContact O-N 3.08Å
740	A	86.4	Confident	87.2	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-70.5	-37	177.9	0	0	0	0	0	112.5	L720 V736 S737	L720-A740 HydrophobicContact CB-CB 4.25Å; V736-A740 WeakPolarHBondContact O-CB 3.18Å; V736-A740 PolarHBondContact O-N 3.42Å; S737-A740 PolarHBondContact O-N 3Å
741	A	90.1	Very high	87.3	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.008	18%	0.175	C	C	.	.			trans	-69.8	154.9	-180	0	0	0	0	0	114.1	K355 L720 G726 A728 S737	K355-A741 WeakPolarHBondContact CD-O 3.32Å; K355-A741 PolarHBondContact NZ-O 2.86Å; L720-A741 HydrophobicContact CD2-CB 4.42Å; G726-A741 WeakPolarHBondContact O-CB 3.15Å; A728-A741 HydrophobicContact CB-CB 3.55Å; S737-A741 VanDerWaalsContact O-CB 3.3Å; S737-A741 WeakPolarHBondContact O-CB 3.42Å; S737-A741 PolarHBondContact O-N 3.32Å
742	D	89.8	Confident	87.5	Confident	11 Å²	11	25.9 Å²	25.9	6%	0.059	15%	0.147	C	C	.	.	S	Bend	trans	-91.6	-20	174.2	-55.6	-71.7	0	0	0	112.4	K355 A359 I725 G726	K355-D742 WeakPolarHBondContact CB-O 3.14Å; K355-D742 PolarHBondContact N-O 2.84Å; A359-D742 HydrophobicContact CB-CB 3.84Å; I725-D742 HydrophobicContact CG1-CB 4.33Å; G726-D742 PolarHBondContact N-OD2 3.15Å; G726-D742 PolarHBondContact O-N 3.06Å
743	M	90.9	Very high	87.9	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145.3	-178	-174.6	-179.3	-77.1	0	0	110.6	M347 C352 L353 V354 L363 I725 G726 V727 A728	M347-M743 HydrophobicContact SD-CE 4.23Å; C352-M743 VanDerWaalsContact SG-CG 3.57Å; C352-M743 PolarHBondContact SG-SD 3.35Å; L353-M743 CarbonylContact O-C 3.51Å; L353-M743 WeakPolarHBondContact O-CA 3.42Å; V354-M743 HydrophobicContact CG2-CE 3.8Å; V354-M743 HydrophobicContact CG2-CG 4.41Å; L363-M743 HydrophobicContact CD2-CE 3.81Å; L363-M743 HydrophobicContact CD2-SD 3.74Å; I725-M743 HydrophobicContact CD1-CB 4.46Å; I725-M743 HydrophobicContact CD1-CE 3.79Å; I725-M743 HydrophobicContact CD1-SD 4.31Å; G726-M743 PolarHBondContact O-N 3.29Å; V727-M743 WeakPolarHBondContact CA-O 3.33Å; V727-M743 HydrophobicContact CG2-CB 4.32Å; V727-M743 HydrophobicContact CG2-SD 4.26Å; A728-M743 PolarHBondContact N-O 3.2Å
744	I	91.9	Very high	88.5	Confident	20 Å²	20	24.3 Å²	24.3	10%	0.103	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.7	-179.6	-56.2	176.1	0	0	0	109.3	L353 K355 A728 K738 L746	L353-I744 HydrophobicContact CB-CB 4.4Å; L353-I744 PolarHBondContact N-O 3.11Å; L353-I744 PolarHBondContact O-N 2.9Å; K355-I744 HydrophobicContact CD-CD1 3.96Å; K355-I744 HydrophobicContact CD-CG1 4.27Å; A728-I744 WeakPolarHBondContact O-CA 3.36Å; K738-I744 HydrophobicContact CB-CD1 4.05Å; K738-I744 HydrophobicContact CG-CD1 4.42Å; I744-L746 HydrophobicContact CG2-CD2 4.17Å; I744-L746 PolarHBondContact O-N 2.94Å
745	L	93	Very high	88.8	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	98.8	174.4	-52.2	-175.8	0	0	0	109.2	V727 A728 M729 G730 D747 D748 I753	V727-L745 HydrophobicContact CG1-CD1 3.86Å; V727-L745 HydrophobicContact CG1-CD2 3.93Å; V727-L745 HydrophobicContact CG1-CG 3.67Å; A728-L745 PolarHBondContact O-N 3.34Å; M729-L745 HydrophobicContact SD-CD1 4.16Å; G730-L745 WeakPolarHBondContact CA-O 3.38Å; G730-L745 PolarHBondContact N-O 2.87Å; L745-D747 PolarHBondContact O-N 2.78Å; L745-D748 PolarHBondContact O-N 3.26Å; L745-I753 HydrophobicContact CD1-CD1 4.25Å; L745-I753 HydrophobicContact CD1-CG1 4Å
746	L	89.7	Confident	89.2	Confident	81 Å²	81	20.1 Å²	20.1	42%	0.424	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.8	-171.8	-61.2	177.9	0	0	0	113.5	N351 L353 I744	N351-L746 HydrophobicContact CB-CB 4.21Å; N351-L746 WeakPolarHBondContact O-CB 3.39Å; N351-L746 PolarHBondContact O-N 3.49Å; L353-L746 HydrophobicContact CB-CD1 4.17Å; L353-L746 HydrophobicContact CB-CD2 4.13Å; L353-L746 HydrophobicContact CB-CG 4.06Å; L353-L746 HydrophobicContact CD2-CD2 4.26Å; I744-L746 HydrophobicContact CG2-CD2 4.17Å; I744-L746 PolarHBondContact O-N 2.94Å
747	D	88	Confident	89.7	Confident	52 Å²	52	20.1 Å²	20.1	28%	0.278	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	5.3	-178.4	61.3	-3.2	0	0	0	114.1	N351 L745 N749	N351-D747 HydrophobicContact CB-CB 3.98Å; N351-D747 PolarHBondContact ND2-OD2 3Å; L745-D747 PolarHBondContact O-N 2.78Å; D747-N749 HydrophobicContact CB-CB 4.5Å; D747-N749 PolarHBondContact O-N 3.1Å; D747-N749 VanDerWaalsContact O-N 3.1Å; D747-N749 WeakPolarHBondContact OD1-CB 3.43Å; D747-N749 PolarHBondContact OD1-N 2.83Å; D747-N749 VanDerWaalsContact OD1-N 3.12Å
748	D	87.8	Confident	90	Very high	10 Å²	10	23.6 Å²	23.6	5%	0.053	13%	0.126	C	C	.	.			trans	53.5	23.9	-173.5	-77.4	11.9	0	0	0	113.9	R591 M729 G730 I731 A732 L745	R591-D748 PolarHBondContact NH1-O 3.33Å; R591-D748 IonicContact NH2-OD2 3.35Å; R591-D748 PolarHBondContact NH2-OD2 3.45Å; M729-D748 WeakPolarHBondContact CB-OD1 3.11Å; M729-D748 HydrophobicContact CE-CB 3.63Å; M729-D748 WeakPolarHBondContact CE-O 3.44Å; G730-D748 PolarHBondContact N-OD1 2.99Å; I731-D748 WeakPolarHBondContact CB-OD2 3.47Å; I731-D748 PolarHBondContact N-OD1 2.93Å; A732-D748 WeakPolarHBondContact CB-OD2 3.44Å; A732-D748 PolarHBondContact N-OD2 3.28Å; L745-D748 PolarHBondContact O-N 3.26Å
749	N	85.9	Confident	90.4	Very high	56 Å²	56	22.3 Å²	22.3	30%	0.299	12%	0.12	S	C	.	.			trans	-93.5	111.9	-179.2	-171.6	-1.5	0	0	0	110.9	A593 D747 A751 S752	A593-N749 WeakPolarHBondContact CB-OD1 3.49Å; D747-N749 HydrophobicContact CB-CB 4.5Å; D747-N749 PolarHBondContact O-N 3.1Å; D747-N749 VanDerWaalsContact O-N 3.1Å; D747-N749 WeakPolarHBondContact OD1-CB 3.43Å; D747-N749 PolarHBondContact OD1-N 2.83Å; D747-N749 VanDerWaalsContact OD1-N 3.12Å; N749-A751 PolarHBondContact O-N 3.36Å; N749-A751 VanDerWaalsContact O-N 3.16Å; N749-A751 VanDerWaalsContact OD1-CB 3.29Å; N749-A751 WeakPolarHBondContact OD1-CB 3.03Å; N749-A751 PolarHBondContact OD1-N 3.26Å; N749-S752 VanDerWaalsContact O-CB 3.24Å; N749-S752 WeakPolarHBondContact O-CB 3.47Å; N749-S752 PolarHBondContact O-N 3.31Å; N749-S752 PolarHBondContact O-OG 3.39Å
750	F	86.1	Confident	90.8	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.009	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.1	176.8	-162	-88	0	0	0	112.9	T376 L377 V594 A597 V598 T710 S752 I753	T376-F750 HydrophobicContact CG2-CD2 4.44Å; T376-F750 HydrophobicContact CG2-CE2 4.39Å; L377-F750 HydrophobicContact CD2-CD2 4.1Å; L377-F750 HydrophobicContact CD2-CE2 3.74Å; L377-F750 HydrophobicContact CD2-CZ 3.97Å; V594-F750 HydrophobicContact CG2-CB 3.47Å; V594-F750 VanDerWaalsContact CG2-CB 3.47Å; V594-F750 HydrophobicContact CG2-CD1 4.45Å; V594-F750 HydrophobicContact CG2-CG 3.93Å; A597-F750 HydrophobicContact CB-CD1 3.72Å; A597-F750 HydrophobicContact CB-CE1 4.41Å; V598-F750 HydrophobicContact CG2-CE1 4.15Å; T710-F750 HydrophobicContact CG2-CE2 4.25Å; F750-S752 PolarHBondContact O-N 2.97Å; F750-I753 HydrophobicContact CD1-CD1 4.01Å; F750-I753 HydrophobicContact CD2-CD1 3.52Å; F750-I753 HydrophobicContact CE1-CD1 3.91Å; F750-I753 HydrophobicContact CE2-CD1 3.41Å; F750-I753 VanDerWaalsContact CE2-CD1 3.41Å; F750-I753 HydrophobicContact CG-CD1 3.83Å; F750-I753 HydrophobicContact CZ-CD1 3.61Å; F750-I753 VanDerWaalsContact O-CB 3.31Å; F750-I753 WeakPolarHBondContact O-CB 3.23Å; F750-I753 PolarHBondContact O-N 3.46Å
751	A	89.3	Confident	91.2	Very high	24 Å²	24	19.5 Å²	19.5	20%	0.198	11%	0.106	C	C	.	.	H	α-helix	trans	-61.7	-24	175.4	0	0	0	0	0	113.3	A593 A597 N749 I753 V754 T755	A593-A751 HydrophobicContact CB-CB 4.13Å; A597-A751 HydrophobicContact CB-CB 4.36Å; N749-A751 PolarHBondContact O-N 3.36Å; N749-A751 VanDerWaalsContact O-N 3.16Å; N749-A751 VanDerWaalsContact OD1-CB 3.29Å; N749-A751 WeakPolarHBondContact OD1-CB 3.03Å; N749-A751 PolarHBondContact OD1-N 3.26Å; A751-I753 PolarHBondContact O-N 3.48Å; A751-V754 WeakPolarHBondContact O-CB 3.34Å; A751-V754 PolarHBondContact O-N 3.16Å; A751-T755 PolarHBondContact O-N 2.89Å
752	S	90.4	Very high	91.5	Very high	9 Å²	9	20.2 Å²	20.2	6%	0.063	11%	0.11	C	C	.	.	H	α-helix	trans	-62.3	-23.1	175	-60.9	0	0	0	0	112.5	N749 F750 G756	N749-S752 VanDerWaalsContact O-CB 3.24Å; N749-S752 WeakPolarHBondContact O-CB 3.47Å; N749-S752 PolarHBondContact O-N 3.31Å; N749-S752 PolarHBondContact O-OG 3.39Å; F750-S752 PolarHBondContact O-N 2.97Å; S752-G756 PolarHBondContact O-N 3.02Å
753	I	92.1	Very high	91.7	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-65.9	-42.8	171.8	-64.2	165	0	0	0	110.4	L363 I369 T710 V727 L745 F750 A751 T755 G756 V757	L363-I753 HydrophobicContact CD1-CG2 4.3Å; I369-I753 HydrophobicContact CD1-CG2 4.1Å; T710-I753 HydrophobicContact CG2-CD1 3.44Å; T710-I753 VanDerWaalsContact CG2-CD1 3.44Å; T710-I753 HydrophobicContact CG2-CG1 4.43Å; V727-I753 HydrophobicContact CG1-CG1 4.46Å; L745-I753 HydrophobicContact CD1-CD1 4.25Å; L745-I753 HydrophobicContact CD1-CG1 4Å; F750-I753 HydrophobicContact CD1-CD1 4.01Å; F750-I753 HydrophobicContact CD2-CD1 3.52Å; F750-I753 HydrophobicContact CE1-CD1 3.91Å; F750-I753 HydrophobicContact CE2-CD1 3.41Å; F750-I753 VanDerWaalsContact CE2-CD1 3.41Å; F750-I753 HydrophobicContact CG-CD1 3.83Å; F750-I753 HydrophobicContact CZ-CD1 3.61Å; F750-I753 VanDerWaalsContact O-CB 3.31Å; F750-I753 WeakPolarHBondContact O-CB 3.23Å; F750-I753 PolarHBondContact O-N 3.46Å; A751-I753 PolarHBondContact O-N 3.48Å; I753-T755 VanDerWaalsContact C-N 3.34Å; I753-T755 PolarHBondContact O-N 3.39Å; I753-G756 CarbonylContact O-C 3.6Å; I753-G756 WeakPolarHBondContact O-CA 3.42Å; I753-G756 PolarHBondContact O-N 3.46Å; I753-V757 HydrophobicContact CG2-CG2 4.44Å; I753-V757 WeakPolarHBondContact O-CG2 3.42Å; I753-V757 PolarHBondContact O-N 3.28Å
754	V	94.1	Very high	91.9	Very high	14 Å²	14	20.3 Å²	20.3	9%	0.085	11%	0.11	C	C	.	.	H	α-helix	trans	-61.6	-46.1	178.4	-177.3	0	0	0	0	110.2	A597 K600 A751 G756 V757 E758 M827	A597-V754 HydrophobicContact CB-CG2 3.81Å; K600-V754 HydrophobicContact CB-CG1 3.86Å; K600-V754 HydrophobicContact CB-CG2 4.09Å; K600-V754 HydrophobicContact CD-CG1 3.95Å; A751-V754 WeakPolarHBondContact O-CB 3.34Å; A751-V754 PolarHBondContact O-N 3.16Å; V754-G756 PolarHBondContact O-N 2.86Å; V754-V757 PolarHBondContact O-N 2.77Å; V754-E758 WeakPolarHBondContact O-CB 3.33Å; V754-E758 PolarHBondContact O-N 3.23Å; V754-M827 HydrophobicContact CG1-CE 3.6Å
755	T	91.9	Very high	92	Very high	37 Å²	37	20.3 Å²	20.3	23%	0.227	11%	0.11	C	C	.	.	H	α-helix	trans	-59.7	-37.8	172.5	-58.4	0	0	0	0	111.8	K350 A751 I753 E758 E759	K350-T755 HydrophobicContact CD-CG2 3.37Å; A751-T755 PolarHBondContact O-N 2.89Å; I753-T755 VanDerWaalsContact C-N 3.34Å; I753-T755 PolarHBondContact O-N 3.39Å; T755-E758 PolarHBondContact O-N 2.96Å; T755-E759 HydrophobicContact CG2-CG 4.39Å; T755-E759 VanDerWaalsContact O-CG 3.31Å; T755-E759 WeakPolarHBondContact O-CG 3.32Å; T755-E759 PolarHBondContact O-N 3.47Å
756	G	92.5	Very high	92.1	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-64.9	-43.3	176.6	0	0	0	0	0	113.4	M347 L363 S752 I753 V754 E758 G760	M347-G756 WeakPolarHBondContact CE-O 3.43Å; L363-G756 VanDerWaalsContact CD2-CA 3.48Å; S752-G756 PolarHBondContact O-N 3.02Å; I753-G756 CarbonylContact O-C 3.6Å; I753-G756 WeakPolarHBondContact O-CA 3.42Å; I753-G756 PolarHBondContact O-N 3.46Å; V754-G756 PolarHBondContact O-N 2.86Å; G756-E758 VanDerWaalsContact C-N 3.34Å; G756-G760 PolarHBondContact O-N 3.38Å
757	V	94.9	Very high	92.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.8	-44.2	173.6	173.1	0	0	0	0	110.3	L363 G364 I606 I753 V754 G760 R761 M827	L363-V757 HydrophobicContact CD1-CG2 4.15Å; L363-V757 HydrophobicContact CG-CG2 3.93Å; G364-V757 WeakPolarHBondContact CA-O 3.32Å; I606-V757 HydrophobicContact CD1-CB 4.5Å; I606-V757 HydrophobicContact CD1-CG1 3.85Å; I606-V757 HydrophobicContact CD1-CG2 3.81Å; I753-V757 HydrophobicContact CG2-CG2 4.44Å; I753-V757 WeakPolarHBondContact O-CG2 3.42Å; I753-V757 PolarHBondContact O-N 3.28Å; V754-V757 PolarHBondContact O-N 2.77Å; V757-G760 PolarHBondContact O-N 3.04Å; V757-R761 WeakPolarHBondContact O-CB 3.38Å; V757-R761 VanDerWaalsContact O-CG 3.3Å; V757-R761 WeakPolarHBondContact O-CG 3.42Å; V757-R761 PolarHBondContact O-N 3.27Å; V757-M827 HydrophobicContact CB-CE 4.48Å; V757-M827 HydrophobicContact CG1-CE 4.2Å; V757-M827 HydrophobicContact CG1-SD 4.12Å
758	E	94.8	Very high	92.7	Very high	74 Å²	74	14.6 Å²	14.6	35%	0.346	8%	0.08	S	C	.	.	H	α-helix	trans	-59.9	-57.6	178.6	-172	-177.4	-174.7	0	0	111.2	V754 T755 G756 G760 R761 I762 I826 M827	V754-E758 WeakPolarHBondContact O-CB 3.33Å; V754-E758 PolarHBondContact O-N 3.23Å; T755-E758 PolarHBondContact O-N 2.96Å; G756-E758 VanDerWaalsContact C-N 3.34Å; E758-G760 VanDerWaalsContact C-N 3.28Å; E758-G760 PolarHBondContact O-N 3.45Å; E758-R761 WeakPolarHBondContact O-CB 3.46Å; E758-R761 PolarHBondContact O-N 3.33Å; E758-R761 VanDerWaalsContact O-N 3.11Å; E758-I762 HydrophobicContact CG-CD1 4.25Å; E758-I762 WeakPolarHBondContact O-CG1 3.41Å; E758-I762 PolarHBondContact O-N 3.22Å; E758-I826 HydrophobicContact CB-CD1 4.36Å; E758-I826 HydrophobicContact CG-CD1 3.58Å; E758-I826 HydrophobicContact CG-CG1 4.25Å; E758-I826 WeakPolarHBondContact O-CD1 3.3Å; E758-M827 HydrophobicContact CB-CG 4.33Å; E758-M827 HydrophobicContact CB-SD 3.81Å; E758-M827 HydrophobicContact CG-CG 4.24Å; E758-M827 HydrophobicContact CG-SD 4.3Å
759	E	93.7	Very high	93	Very high	9 Å²	9	14.3 Å²	14.3	4%	0.042	8%	0.078	C	C	.	.	H	α-helix	trans	-62.9	-34.7	180	-65.2	-75.9	178.5	0	0	112	T343 R346 M347 K350 T755 I762 I763	T343-E759 HydrophobicContact CG2-CB 4.16Å; R346-E759 WeakPolarHBondContact CD-OE1 3.48Å; R346-E759 VanDerWaalsContact CD-OE2 3.26Å; R346-E759 WeakPolarHBondContact CD-OE2 3.16Å; R346-E759 IonicContact CZ-OE2 3.16Å; R346-E759 IonicContact NE-OE2 2.75Å; R346-E759 IonicContact NH1-OE2 2.73Å; R346-E759 PolarHBondContact NH1-OE2 3.38Å; M347-E759 HydrophobicContact CE-CB 3.5Å; M347-E759 VanDerWaalsContact CE-CB 3.5Å; M347-E759 HydrophobicContact CG-CB 4.35Å; M347-E759 HydrophobicContact CG-CG 4.5Å; K350-E759 IonicContact NZ-OE1 2.66Å; K350-E759 PolarHBondContact NZ-OE1 3.44Å; T755-E759 HydrophobicContact CG2-CG 4.39Å; T755-E759 VanDerWaalsContact O-CG 3.31Å; T755-E759 WeakPolarHBondContact O-CG 3.32Å; T755-E759 PolarHBondContact O-N 3.47Å; E759-I762 PolarHBondContact O-N 3.3Å; E759-I763 WeakPolarHBondContact O-CG2 3.45Å; E759-I763 PolarHBondContact O-N 3.11Å
760	G	94	Very high	93.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.6	-40	173.8	0	0	0	0	0	113	V360 G756 V757 E758 I763 F764	V360-G760 VanDerWaalsContact O-CA 3.23Å; V360-G760 WeakPolarHBondContact O-CA 3.43Å; G756-G760 PolarHBondContact O-N 3.38Å; V757-G760 PolarHBondContact O-N 3.04Å; E758-G760 VanDerWaalsContact C-N 3.28Å; E758-G760 PolarHBondContact O-N 3.45Å; G760-I763 VanDerWaalsContact O-CG2 3.23Å; G760-I763 WeakPolarHBondContact O-CG2 3.48Å; G760-F764 PolarHBondContact O-N 3.06Å
761	R	94.9	Very high	93.9	Very high	7 Å²	7	11.6 Å²	11.6	3%	0.026	6%	0.064	C	C	.	.	H	α-helix	trans	-70.4	-39.2	175.2	-78.1	175.1	-176.5	-161.2	2.9	111.9	G364 A604 V757 E758 D765 I826 R829	G364-R761 VanDerWaalsContact O-CG 3.3Å; G364-R761 WeakPolarHBondContact O-CG 3.29Å; G364-R761 PolarHBondContact O-NE 3.43Å; A604-R761 PolarHBondContact O-NH2 2.98Å; V757-R761 WeakPolarHBondContact O-CB 3.38Å; V757-R761 VanDerWaalsContact O-CG 3.3Å; V757-R761 WeakPolarHBondContact O-CG 3.42Å; V757-R761 PolarHBondContact O-N 3.27Å; E758-R761 WeakPolarHBondContact O-CB 3.46Å; E758-R761 PolarHBondContact O-N 3.33Å; E758-R761 VanDerWaalsContact O-N 3.11Å; R761-D765 PolarHBondContact O-N 3.09Å; R761-I826 HydrophobicContact CB-CB 4.48Å; R761-I826 HydrophobicContact CB-CD1 3.86Å; R761-I826 PolarHBondContact NH1-O 3.19Å; R761-R829 PolarHBondContact NH1-O 2.93Å
762	I	95.1	Very high	94.2	Very high	16 Å²	16	10.7 Å²	10.7	8%	0.082	6%	0.056	C	C	.	.	H	α-helix	trans	-61.5	-50.8	175.4	-66.1	172.3	0	0	0	110	E758 E759 F764 D765 N766 A822 I826	E758-I762 HydrophobicContact CG-CD1 4.25Å; E758-I762 WeakPolarHBondContact O-CG1 3.41Å; E758-I762 PolarHBondContact O-N 3.22Å; E759-I762 PolarHBondContact O-N 3.3Å; I762-F764 VanDerWaalsContact C-N 3.3Å; I762-F764 PolarHBondContact O-N 2.78Å; I762-D765 PolarHBondContact O-N 2.66Å; I762-N766 WeakPolarHBondContact CG2-ND2 3.36Å; I762-N766 WeakPolarHBondContact O-CB 3.25Å; I762-N766 VanDerWaalsContact O-CG 3.28Å; I762-N766 PolarHBondContact O-N 2.77Å; I762-A822 HydrophobicContact CG1-CB 4.36Å; I762-I826 HydrophobicContact CD1-CD1 4.03Å; I762-I826 HydrophobicContact CG1-CD1 3.4Å; I762-I826 VanDerWaalsContact CG1-CD1 3.4Å
763	I	94.9	Very high	94.4	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-65.1	-35.2	-176.1	-168.9	54.7	0	0	0	111.9	C339 L340 T343 V360 E361 E759 G760 N766 L767 A818	C339-I763 HydrophobicContact CB-CD1 4.16Å; L340-I763 HydrophobicContact CD2-CG1 4.13Å; T343-I763 HydrophobicContact CG2-CB 4.21Å; T343-I763 HydrophobicContact CG2-CG2 4.47Å; T343-I763 WeakPolarHBondContact OG1-CD1 3.23Å; V360-I763 HydrophobicContact CG1-CG2 4.22Å; E361-I763 HydrophobicContact CB-CG2 4.31Å; E759-I763 WeakPolarHBondContact O-CG2 3.45Å; E759-I763 PolarHBondContact O-N 3.11Å; G760-I763 VanDerWaalsContact O-CG2 3.23Å; G760-I763 WeakPolarHBondContact O-CG2 3.48Å; I763-N766 PolarHBondContact O-N 3.14Å; I763-L767 HydrophobicContact CD1-CG 4.12Å; I763-L767 HydrophobicContact CG1-CD1 4.16Å; I763-L767 HydrophobicContact CG1-CG 4.15Å; I763-L767 VanDerWaalsContact O-CB 3.31Å; I763-L767 WeakPolarHBondContact O-CB 3.22Å; I763-L767 WeakPolarHBondContact O-CG 3.39Å; I763-L767 PolarHBondContact O-N 3.07Å; I763-A818 HydrophobicContact CD1-CB 4.42Å
764	F	94.5	Very high	94.5	Very high	12 Å²	12	10.4 Å²	10.4	5%	0.053	5%	0.054	C	C	.	.	H	α-helix	trans	-60.9	-48.1	174.9	-174.2	-96.5	0	0	0	111.9	E283 E361 G760 I762 N766 L767 K768 R832 L839	E283-F764 HydrophobicContact CG-CE2 4.49Å; E361-F764 HydrophobicContact CG-CB 4.28Å; E361-F764 HydrophobicContact CG-CD2 4.04Å; E361-F764 WeakPolarHBondContact OE1-CD2 3.33Å; G760-F764 PolarHBondContact O-N 3.06Å; I762-F764 VanDerWaalsContact C-N 3.3Å; I762-F764 PolarHBondContact O-N 2.78Å; F764-N766 VanDerWaalsContact C-N 3.34Å; F764-N766 PolarHBondContact O-N 3.27Å; F764-L767 PolarHBondContact O-N 2.87Å; F764-K768 HydrophobicContact CE1-CD 4.4Å; F764-K768 PolarHBondContact O-N 3.43Å; F764-R832 VanDerWaalsContact CE2-CZ 3.41Å; F764-L839 HydrophobicContact CD2-CD1 4.03Å; F764-L839 HydrophobicContact CE2-CB 4.06Å; F764-L839 HydrophobicContact CE2-CD1 3.79Å; F764-L839 HydrophobicContact CZ-CB 4.22Å; F764-L839 HydrophobicContact CZ-CD1 4.19Å
765	D	94.4	Very high	94.5	Very high	21 Å²	21	9.7 Å²	9.7	11%	0.112	5%	0.05	C	C	.	.	H	α-helix	trans	-66.6	-36.4	178	-72.9	-33.5	0	0	0	111.9	R761 I762 K768 K769 R829 R935	R761-D765 PolarHBondContact O-N 3.09Å; I762-D765 PolarHBondContact O-N 2.66Å; D765-K768 WeakPolarHBondContact O-CB 3.3Å; D765-K768 PolarHBondContact O-N 3.43Å; D765-K769 WeakPolarHBondContact O-CG 3.3Å; D765-K769 PolarHBondContact O-N 3.44Å; D765-R829 IonicContact OD1-NH1 3.52Å; D765-R829 PolarHBondContact OD1-NH1 3.37Å; D765-R829 IonicContact OD2-CZ 3.5Å; D765-R829 VanDerWaalsContact OD2-CZ 3.25Å; D765-R829 IonicContact OD2-NH1 2.67Å; D765-R829 PolarHBondContact OD2-NH1 2.66Å; D765-R829 IonicContact OD2-NH2 2.78Å; D765-R829 PolarHBondContact OD2-NH2 2.87Å; D765-R935 VanDerWaalsContact CG-NH1 3.25Å; D765-R935 IonicContact OD1-CZ 3.84Å; D765-R935 IonicContact OD1-NH1 2.83Å; D765-R935 PolarHBondContact OD1-NH1 3.28Å
766	N	95.3	Very high	94.7	Very high	4 Å²	4	8 Å²	8	2%	0.021	4%	0.04	C	C	.	.	H	α-helix	trans	-72.6	-33.1	177.4	-70.9	-5.1	0	0	0	112.8	I762 I763 F764 K768 K769 S770 L817 A818 E820	I762-N766 WeakPolarHBondContact CG2-ND2 3.36Å; I762-N766 WeakPolarHBondContact O-CB 3.25Å; I762-N766 VanDerWaalsContact O-CG 3.28Å; I762-N766 PolarHBondContact O-N 2.77Å; I763-N766 PolarHBondContact O-N 3.14Å; F764-N766 VanDerWaalsContact C-N 3.34Å; F764-N766 PolarHBondContact O-N 3.27Å; N766-K768 VanDerWaalsContact C-N 3.32Å; N766-K769 WeakPolarHBondContact O-CB 3.46Å; N766-K769 PolarHBondContact O-N 3.24Å; N766-S770 WeakPolarHBondContact O-CB 3.4Å; N766-S770 PolarHBondContact O-N 3.04Å; N766-L817 WeakPolarHBondContact CB-O 3.43Å; N766-A818 PolarHBondContact ND2-O 3.2Å; N766-A818 VanDerWaalsContact ND2-O 3.14Å; N766-E820 PolarHBondContact ND2-O 3.09Å
767	L	94.6	Very high	94.8	Very high	1 Å²	1	8 Å²	8	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-64.3	-38.3	171.9	-76.7	174.4	0	0	0	110.8	I280 V336 C339 L340 I763 F764 K769 S770 I771 L839	I280-L767 HydrophobicContact CD1-CD1 4.02Å; V336-L767 HydrophobicContact CB-CD2 4.35Å; V336-L767 HydrophobicContact CG1-CD2 4.11Å; V336-L767 HydrophobicContact CG2-CD2 4.15Å; C339-L767 HydrophobicContact CB-CD2 3.85Å; L340-L767 HydrophobicContact CD2-CD1 4.3Å; I763-L767 HydrophobicContact CD1-CG 4.12Å; I763-L767 HydrophobicContact CG1-CD1 4.16Å; I763-L767 HydrophobicContact CG1-CG 4.15Å; I763-L767 VanDerWaalsContact O-CB 3.31Å; I763-L767 WeakPolarHBondContact O-CB 3.22Å; I763-L767 WeakPolarHBondContact O-CG 3.39Å; I763-L767 PolarHBondContact O-N 3.07Å; F764-L767 PolarHBondContact O-N 2.87Å; L767-K769 VanDerWaalsContact C-N 3.32Å; L767-K769 PolarHBondContact O-N 3.36Å; L767-S770 PolarHBondContact O-N 3.42Å; L767-I771 VanDerWaalsContact O-CB 3.32Å; L767-I771 WeakPolarHBondContact O-CB 2.8Å; L767-I771 WeakPolarHBondContact O-CD1 3.46Å; L767-I771 WeakPolarHBondContact O-CG1 3.28Å; L767-I771 PolarHBondContact O-N 2.89Å; L767-L839 HydrophobicContact CB-CD1 3.98Å
768	K	95.1	Very high	94.7	Very high	8 Å²	8	8 Å²	8	4%	0.035	4%	0.039	C	C	.	.	H	α-helix	trans	-57.7	-44.8	171.5	-68.8	-167.6	163.9	-167.6	0	112.2	F764 D765 N766 A772 K838 L839 L844 Y1019	F764-K768 HydrophobicContact CE1-CD 4.4Å; F764-K768 PolarHBondContact O-N 3.43Å; D765-K768 WeakPolarHBondContact O-CB 3.3Å; D765-K768 PolarHBondContact O-N 3.43Å; N766-K768 VanDerWaalsContact C-N 3.32Å; K768-A772 VanDerWaalsContact O-CB 3.25Å; K768-A772 WeakPolarHBondContact O-CB 3.44Å; K768-A772 PolarHBondContact O-N 3.08Å; K768-K838 WeakPolarHBondContact CE-O 3.29Å; K768-K838 PolarHBondContact NZ-O 3.34Å; K768-L839 WeakPolarHBondContact CE-O 3.46Å; K768-L839 HydrophobicContact CG-CD1 3.88Å; K768-L839 WeakPolarHBondContact CG-O 3.29Å; K768-L844 HydrophobicContact CB-CD1 4.45Å; K768-Y1019 PolarHBondContact NZ-OXT 3.22Å
769	K	95.1	Very high	94.7	Very high	3 Å²	3	5.5 Å²	5.5	1%	0.013	3%	0.028	C	C	.	.	H	α-helix	trans	-62.5	-47.8	178.1	-63.7	173.9	-176.9	-176.1	0	111.3	D765 N766 L767 A772 Y773 L817 E823 C932 K933 R935	D765-K769 WeakPolarHBondContact O-CG 3.3Å; D765-K769 PolarHBondContact O-N 3.44Å; N766-K769 WeakPolarHBondContact O-CB 3.46Å; N766-K769 PolarHBondContact O-N 3.24Å; L767-K769 VanDerWaalsContact C-N 3.32Å; L767-K769 PolarHBondContact O-N 3.36Å; K769-A772 PolarHBondContact O-N 3.35Å; K769-Y773 PolarHBondContact O-N 2.9Å; K769-L817 HydrophobicContact CB-CD1 4.45Å; K769-E823 WeakPolarHBondContact CE-OE1 3.18Å; K769-E823 IonicContact NZ-OE1 3.89Å; K769-E823 PolarHBondContact NZ-OE1 3.13Å; K769-C932 VanDerWaalsContact CB-O 3.28Å; K769-C932 WeakPolarHBondContact CB-O 3.41Å; K769-C932 VanDerWaalsContact CD-O 3.31Å; K769-C932 WeakPolarHBondContact CD-O 3.38Å; K769-C932 WeakPolarHBondContact CG-O 3.26Å; K769-K933 WeakPolarHBondContact CD-O 3.18Å; K769-K933 WeakPolarHBondContact CE-O 3.32Å; K769-K933 PolarHBondContact NZ-O 3.42Å; K769-R935 HydrophobicContact CG-CG 4.17Å
770	S	95.5	Very high	94.8	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-62.3	-45.2	179.1	-172.7	0	0	0	0	112	T335 N766 L767 Y773 T774 A814	T335-S770 VanDerWaalsContact CG2-OG 3.32Å; T335-S770 WeakPolarHBondContact CG2-OG 3.46Å; N766-S770 WeakPolarHBondContact O-CB 3.4Å; N766-S770 PolarHBondContact O-N 3.04Å; L767-S770 PolarHBondContact O-N 3.42Å; S770-Y773 PolarHBondContact O-N 2.99Å; S770-T774 PolarHBondContact O-N 3.23Å; S770-T774 VanDerWaalsContact O-N 3.16Å; S770-T774 PolarHBondContact O-OG1 3.19Å; S770-A814 PolarHBondContact OG-O 3.33Å
771	I	94.3	Very high	94.8	Very high	2 Å²	2	5.1 Å²	5.1	1%	0.01	3%	0.026	C	C	.	.	H	α-helix	trans	-65.8	-43.3	176.4	-67.5	161.7	0	0	0	111	F287 L332 L767 Y773 T774 L775 L839 V840	F287-I771 HydrophobicContact CE2-CG2 4.4Å; L332-I771 HydrophobicContact CD1-CB 4.47Å; L332-I771 HydrophobicContact CD1-CG1 3.89Å; L332-I771 HydrophobicContact CD2-CG1 4.28Å; L332-I771 HydrophobicContact CD2-CG2 4.24Å; L332-I771 HydrophobicContact CG-CG1 4.49Å; L767-I771 VanDerWaalsContact O-CB 3.32Å; L767-I771 WeakPolarHBondContact O-CB 2.8Å; L767-I771 WeakPolarHBondContact O-CD1 3.46Å; L767-I771 WeakPolarHBondContact O-CG1 3.28Å; L767-I771 PolarHBondContact O-N 2.89Å; I771-Y773 VanDerWaalsContact C-N 3.35Å; I771-Y773 PolarHBondContact O-N 3.48Å; I771-T774 PolarHBondContact O-N 2.83Å; I771-L775 HydrophobicContact CG2-CD1 3.53Å; I771-L775 HydrophobicContact CG2-CG 3.99Å; I771-L775 VanDerWaalsContact O-CB 3.29Å; I771-L775 WeakPolarHBondContact O-CB 3.45Å; I771-L775 VanDerWaalsContact O-CG 3.23Å; I771-L775 WeakPolarHBondContact O-CG 3.27Å; I771-L775 PolarHBondContact O-N 2.97Å; I771-L839 HydrophobicContact CD1-CD1 4.2Å; I771-L839 HydrophobicContact CD1-CD2 3.53Å; I771-L839 HydrophobicContact CD1-CG 3.74Å; I771-V840 HydrophobicContact CD1-CG2 4.3Å; I771-V840 HydrophobicContact CG2-CG2 3.71Å
772	A	95.3	Very high	94.7	Very high	4 Å²	4	5 Å²	5	3%	0.033	3%	0.026	C	C	.	.	H	α-helix	trans	-58.7	-47.1	177.4	0	0	0	0	0	111.4	K768 K769 T774 L775 T776 L844 Y1019	K768-A772 VanDerWaalsContact O-CB 3.25Å; K768-A772 WeakPolarHBondContact O-CB 3.44Å; K768-A772 PolarHBondContact O-N 3.08Å; K769-A772 PolarHBondContact O-N 3.35Å; A772-T774 PolarHBondContact O-N 3.01Å; A772-L775 PolarHBondContact O-N 3.4Å; A772-T776 PolarHBondContact O-N 2.91Å; A772-T776 PolarHBondContact O-OG1 2.84Å; A772-L844 HydrophobicContact CB-CD1 4.27Å; A772-L844 HydrophobicContact CB-CD2 4.14Å; A772-L844 HydrophobicContact CB-CG 4.12Å; A772-Y1019 HydrophobicContact CB-CE2 4.04Å
773	Y	95.8	Very high	94.6	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-55.8	-51	176.8	171.6	-96.3	0	0	0	112.6	K769 S770 I771 L775 T776 D810 P813 A814 L817 Q925 D928 L929	K769-Y773 PolarHBondContact O-N 2.9Å; S770-Y773 PolarHBondContact O-N 2.99Å; I771-Y773 VanDerWaalsContact C-N 3.35Å; I771-Y773 PolarHBondContact O-N 3.48Å; Y773-L775 VanDerWaalsContact C-N 3.35Å; Y773-L775 PolarHBondContact O-N 3.16Å; Y773-T776 PolarHBondContact O-N 3Å; Y773-D810 HydrophobicContact CE1-CB 3.91Å; Y773-D810 PolarHBondContact OH-OD1 2.99Å; Y773-P813 HydrophobicContact CE1-CB 3.83Å; Y773-P813 HydrophobicContact CE2-CB 4.47Å; Y773-P813 WeakPolarHBondContact OH-CB 3.46Å; Y773-A814 HydrophobicContact CD1-CB 3.82Å; Y773-A814 HydrophobicContact CE1-CB 4.11Å; Y773-L817 HydrophobicContact CG-CD1 4.22Å; Y773-Q925 HydrophobicContact CE2-CB 4.17Å; Y773-Q925 HydrophobicContact CE2-CG 4.45Å; Y773-D928 WeakPolarHBondContact CA-OD2 3.39Å; Y773-D928 HydrophobicContact CD2-CB 4.2Å; Y773-D928 WeakPolarHBondContact CD2-OD2 3.49Å; Y773-D928 HydrophobicContact CE2-CB 4.36Å; Y773-L929 HydrophobicContact CD2-CB 4.15Å; Y773-L929 HydrophobicContact CD2-CD1 4.2Å; Y773-L929 HydrophobicContact CE2-CB 3.79Å; Y773-L929 HydrophobicContact CE2-CD1 4.18Å
774	T	94.5	Very high	94.5	Very high	4 Å²	4	5.2 Å²	5.2	3%	0.025	3%	0.028	C	C	.	.	H	α-helix	trans	-67.6	-34.5	179.6	-56.1	0	0	0	0	112.3	P329 L332 S770 I771 A772 S777 N778	P329-T774 HydrophobicContact CB-CG2 4.02Å; L332-T774 HydrophobicContact CB-CG2 4.28Å; L332-T774 HydrophobicContact CD1-CG2 4.31Å; S770-T774 PolarHBondContact O-N 3.23Å; S770-T774 VanDerWaalsContact O-N 3.16Å; S770-T774 PolarHBondContact O-OG1 3.19Å; I771-T774 PolarHBondContact O-N 2.83Å; A772-T774 PolarHBondContact O-N 3.01Å; T774-S777 PolarHBondContact O-OG 3.25Å; T774-N778 PolarHBondContact O-OD1 2.99Å
775	L	94	Very high	94.3	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-73	-28.8	178.5	-74.2	-179.2	0	0	0	112.6	F287 I291 P329 I771 A772 Y773 S777 N778 L844 I845 A848 Y849	F287-L775 HydrophobicContact CE2-CD1 3.94Å; F287-L775 HydrophobicContact CE2-CD2 4.13Å; F287-L775 HydrophobicContact CZ-CD2 4.25Å; I291-L775 HydrophobicContact CD1-CD2 4.06Å; P329-L775 HydrophobicContact CG-CD2 4.26Å; I771-L775 HydrophobicContact CG2-CD1 3.53Å; I771-L775 HydrophobicContact CG2-CG 3.99Å; I771-L775 VanDerWaalsContact O-CB 3.29Å; I771-L775 WeakPolarHBondContact O-CB 3.45Å; I771-L775 VanDerWaalsContact O-CG 3.23Å; I771-L775 WeakPolarHBondContact O-CG 3.27Å; I771-L775 PolarHBondContact O-N 2.97Å; A772-L775 PolarHBondContact O-N 3.4Å; Y773-L775 VanDerWaalsContact C-N 3.35Å; Y773-L775 PolarHBondContact O-N 3.16Å; L775-S777 VanDerWaalsContact C-N 3.29Å; L775-S777 PolarHBondContact O-N 3.06Å; L775-N778 PolarHBondContact O-N 2.86Å; L775-L844 HydrophobicContact CD1-CD2 3.81Å; L775-I845 HydrophobicContact CD1-CD1 3.97Å; L775-A848 HydrophobicContact CB-CB 4.27Å; L775-Y849 HydrophobicContact CB-CD1 4.29Å; L775-Y849 HydrophobicContact CB-CE1 3.72Å; L775-Y849 HydrophobicContact CD2-CE1 4.01Å; L775-Y849 HydrophobicContact CG-CE1 4.34Å; L775-Y849 WeakPolarHBondContact O-CD1 2.95Å; L775-Y849 WeakPolarHBondContact O-CE1 3.32Å
776	T	95.7	Very high	94.2	Very high	2 Å²	2	5.5 Å²	5.5	1%	0.012	3%	0.029	C	C	.	.	H	α-helix	trans	-61.2	-38.6	179.7	-58.7	0	0	0	0	111.9	A772 Y773 N778 P780 I852 G853 Q856 D928	A772-T776 PolarHBondContact O-N 2.91Å; A772-T776 PolarHBondContact O-OG1 2.84Å; Y773-T776 PolarHBondContact O-N 3Å; T776-N778 VanDerWaalsContact C-N 3.33Å; T776-N778 PolarHBondContact O-N 2.96Å; T776-P780 WeakPolarHBondContact O-CD 3.46Å; T776-I852 HydrophobicContact CG2-CB 3.74Å; T776-I852 HydrophobicContact CG2-CG2 3.5Å; T776-I852 VanDerWaalsContact CG2-CG2 3.5Å; T776-G853 WeakPolarHBondContact O-CA 3.31Å; T776-Q856 HydrophobicContact CG2-CG 4.3Å; T776-D928 WeakPolarHBondContact CB-OD2 3.3Å; T776-D928 PolarHBondContact OG1-OD2 2.87Å
777	S	94.7	Very high	94.1	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-71.1	-19.8	-179.9	35.9	0	0	0	0	114.4	T774 L775 I779 P780 E781 D810 Q925	T774-S777 PolarHBondContact O-OG 3.25Å; L775-S777 VanDerWaalsContact C-N 3.29Å; L775-S777 PolarHBondContact O-N 3.06Å; S777-I779 PolarHBondContact O-N 3.36Å; S777-P780 WeakPolarHBondContact O-CD 3.25Å; S777-P780 WeakPolarHBondContact O-CG 3.4Å; S777-E781 VanDerWaalsContact O-CD 3.22Å; S777-E781 WeakPolarHBondContact O-CG 3.41Å; S777-E781 PolarHBondContact O-N 2.99Å; S777-D810 PolarHBondContact OG-OD2 3.49Å; S777-Q925 PolarHBondContact OG-NE2 2.93Å
778	N	93.3	Very high	93.9	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.005	5%	0.046	C	C	.	.	H	α-helix	trans	-60.1	-32.9	176.1	-67.1	38.6	0	0	0	112.6	N327 T774 L775 T776 E781 I782 Y849	N327-N778 PolarHBondContact O-ND2 2.67Å; N327-N778 VanDerWaalsContact O-ND2 3.11Å; T774-N778 PolarHBondContact O-OD1 2.99Å; L775-N778 PolarHBondContact O-N 2.86Å; T776-N778 VanDerWaalsContact C-N 3.33Å; T776-N778 PolarHBondContact O-N 2.96Å; N778-E781 WeakPolarHBondContact O-CB 3.17Å; N778-E781 PolarHBondContact O-N 3.42Å; N778-I782 HydrophobicContact CB-CD1 4.13Å; N778-I782 WeakPolarHBondContact O-CB 3.48Å; N778-I782 VanDerWaalsContact O-CD1 3.28Å; N778-I782 WeakPolarHBondContact O-CD1 3.3Å; N778-I782 WeakPolarHBondContact O-CG1 3.34Å; N778-I782 PolarHBondContact O-N 3.31Å; N778-Y849 HydrophobicContact CB-CE1 4.14Å; N778-Y849 PolarHBondContact ND2-OH 2.95Å
779	I	94.8	Very high	93.6	Very high	21 Å²	21	8.2 Å²	8.2	11%	0.108	4%	0.044	C	C	.	.	H	α-helix	trans	-68.1	-50.6	-178.4	-60.6	-60.2	0	0	0	113.6	S777 E781 I782 T783 Y849 G853 M854 A857	S777-I779 PolarHBondContact O-N 3.36Å; I779-E781 PolarHBondContact O-N 2.9Å; I779-E781 VanDerWaalsContact O-N 3.13Å; I779-I782 PolarHBondContact O-N 2.96Å; I779-T783 HydrophobicContact CG2-CG2 3.92Å; I779-T783 WeakPolarHBondContact O-CB 3.24Å; I779-T783 VanDerWaalsContact O-CG2 3.26Å; I779-T783 WeakPolarHBondContact O-CG2 3.38Å; I779-T783 PolarHBondContact O-N 3.37Å; I779-T783 PolarHBondContact O-OG1 3.49Å; I779-Y849 HydrophobicContact CD1-CD1 4.25Å; I779-Y849 HydrophobicContact CD1-CD2 3.93Å; I779-Y849 HydrophobicContact CD1-CG 3.76Å; I779-Y849 HydrophobicContact CG1-CD1 4.17Å; I779-Y849 HydrophobicContact CG1-CG 4.06Å; I779-G853 WeakPolarHBondContact CG2-O 3.33Å; I779-M854 HydrophobicContact CG2-SD 4.19Å; I779-A857 HydrophobicContact CG2-CB 4.15Å
780	P	95.5	Very high	93.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.2	-13.1	172.3	24.3	-33.9	0	0	0	113.3	T776 S777 P784 Q856 A857 F917 I921	T776-P780 WeakPolarHBondContact O-CD 3.46Å; S777-P780 WeakPolarHBondContact O-CD 3.25Å; S777-P780 WeakPolarHBondContact O-CG 3.4Å; P780-P784 WeakPolarHBondContact O-CD 3.21Å; P780-P784 WeakPolarHBondContact O-CG 3.27Å; P780-Q856 HydrophobicContact CB-CB 4.23Å; P780-Q856 HydrophobicContact CG-CB 3.82Å; P780-A857 HydrophobicContact CB-CB 4.29Å; P780-F917 HydrophobicContact CB-CE1 4.18Å; P780-F917 WeakPolarHBondContact O-CE1 3.34Å; P780-I921 HydrophobicContact CB-CD1 4.03Å; P780-I921 HydrophobicContact CB-CG1 3.99Å; P780-I921 HydrophobicContact CG-CD1 4.35Å; P780-I921 HydrophobicContact CG-CG1 4.26Å
781	E	93.7	Very high	93.2	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-91.9	-38.3	176	-66	166	-176.1	0	0	113.5	S777 N778 I779 P784 L797 I802 I805 I921	S777-E781 VanDerWaalsContact O-CD 3.22Å; S777-E781 WeakPolarHBondContact O-CG 3.41Å; S777-E781 PolarHBondContact O-N 2.99Å; N778-E781 WeakPolarHBondContact O-CB 3.17Å; N778-E781 PolarHBondContact O-N 3.42Å; I779-E781 PolarHBondContact O-N 2.9Å; I779-E781 VanDerWaalsContact O-N 3.13Å; E781-P784 WeakPolarHBondContact O-CD 3.47Å; E781-L797 HydrophobicContact CB-CD2 4.39Å; E781-L797 HydrophobicContact CG-CD2 4.1Å; E781-I802 HydrophobicContact CB-CD1 4.04Å; E781-I802 HydrophobicContact CB-CG1 4.03Å; E781-I802 HydrophobicContact CB-CG2 4.43Å; E781-I802 HydrophobicContact CG-CG1 4.07Å; E781-I802 HydrophobicContact CG-CG2 4.35Å; E781-I805 HydrophobicContact CG-CD1 4.31Å; E781-I805 VanDerWaalsContact OE1-CG2 3.29Å; E781-I805 WeakPolarHBondContact OE1-CG2 3.47Å; E781-I921 HydrophobicContact CG-CD1 4.3Å
782	I	92.6	Very high	93	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-73.1	-46.5	177.1	-65.6	158.3	0	0	0	110.7	A326 N327 N778 I779 F785 L786	A326-I782 HydrophobicContact CB-CB 4.48Å; A326-I782 HydrophobicContact CB-CG1 3.78Å; A326-I782 VanDerWaalsContact O-CG1 3.29Å; A326-I782 WeakPolarHBondContact O-CG1 3.47Å; N327-I782 HydrophobicContact CB-CD1 4.33Å; N327-I782 WeakPolarHBondContact ND2-CD1 3.1Å; N327-I782 WeakPolarHBondContact OD1-CD1 3.47Å; N778-I782 HydrophobicContact CB-CD1 4.13Å; N778-I782 WeakPolarHBondContact O-CB 3.48Å; N778-I782 VanDerWaalsContact O-CD1 3.28Å; N778-I782 WeakPolarHBondContact O-CD1 3.3Å; N778-I782 WeakPolarHBondContact O-CG1 3.34Å; N778-I782 PolarHBondContact O-N 3.31Å; I779-I782 PolarHBondContact O-N 2.96Å; I782-F785 PolarHBondContact O-N 3.47Å; I782-L786 HydrophobicContact CG2-CD1 3.92Å; I782-L786 HydrophobicContact CG2-CD2 4.05Å; I782-L786 HydrophobicContact CG2-CG 3.91Å; I782-L786 PolarHBondContact O-N 3.47Å
783	T	93.8	Very high	92.9	Very high	21 Å²	21	15.7 Å²	15.7	13%	0.129	9%	0.087	C	C	.	.	H	α-helix	trans	-59.6	-35.2	-171.9	52.7	0	0	0	0	114.6	I779 F785 L786 V787 A857	I779-T783 HydrophobicContact CG2-CG2 3.92Å; I779-T783 WeakPolarHBondContact O-CB 3.24Å; I779-T783 VanDerWaalsContact O-CG2 3.26Å; I779-T783 WeakPolarHBondContact O-CG2 3.38Å; I779-T783 PolarHBondContact O-N 3.37Å; I779-T783 PolarHBondContact O-OG1 3.49Å; T783-F785 VanDerWaalsContact C-N 3.32Å; T783-F785 PolarHBondContact O-N 2.87Å; T783-L786 PolarHBondContact O-N 2.77Å; T783-L786 VanDerWaalsContact O-N 3.14Å; T783-V787 WeakPolarHBondContact O-CG2 3.4Å; T783-V787 PolarHBondContact O-N 3.15Å; T783-A857 HydrophobicContact CG2-CB 4.36Å; T783-A857 WeakPolarHBondContact OG1-CB 3.2Å
784	P	92.9	Very high	92.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-50	-46.3	168.8	-33	37.5	0	0	0	114.1	P780 E781 Y788 P796 L797 F917	P780-P784 WeakPolarHBondContact O-CD 3.21Å; P780-P784 WeakPolarHBondContact O-CG 3.27Å; E781-P784 WeakPolarHBondContact O-CD 3.47Å; P784-Y788 WeakPolarHBondContact O-CB 3.5Å; P784-Y788 PolarHBondContact O-N 3.35Å; P784-P796 HydrophobicContact CB-CB 4.06Å; P784-P796 HydrophobicContact CB-CG 4.12Å; P784-P796 HydrophobicContact CG-CB 4.47Å; P784-L797 HydrophobicContact CB-CB 3.82Å; P784-L797 HydrophobicContact CG-CB 3.71Å; P784-L797 HydrophobicContact CG-CD2 4.35Å; P784-F917 HydrophobicContact CG-CE1 4.05Å; P784-F917 HydrophobicContact CG-CE2 4.12Å; P784-F917 HydrophobicContact CG-CZ 3.67Å
785	F	90.3	Very high	92.6	Very high	13 Å²	13	16.7 Å²	16.7	6%	0.057	9%	0.092	C	C	.	.	H	α-helix	trans	-68.4	-39.4	177.8	-76.5	-87.1	0	0	0	111.7	I323 I782 T783 Y788 I789 L795 I802	I323-F785 HydrophobicContact CG1-CB 4.16Å; I782-F785 PolarHBondContact O-N 3.47Å; T783-F785 VanDerWaalsContact C-N 3.32Å; T783-F785 PolarHBondContact O-N 2.87Å; F785-Y788 PolarHBondContact O-N 3.25Å; F785-I789 WeakPolarHBondContact O-CD1 3.12Å; F785-I789 VanDerWaalsContact O-CG1 3.26Å; F785-I789 WeakPolarHBondContact O-CG1 3.35Å; F785-I789 PolarHBondContact O-N 3.14Å; F785-I789 VanDerWaalsContact O-N 3.09Å; F785-L795 HydrophobicContact CD1-CD1 4.25Å; F785-L795 HydrophobicContact CE1-CD1 4.18Å; F785-L795 HydrophobicContact CZ-CD1 4.44Å; F785-I802 HydrophobicContact CD2-CD1 4.41Å; F785-I802 HydrophobicContact CE2-CD1 3.69Å
786	L	91.4	Very high	92.6	Very high	26 Å²	26	16.7 Å²	16.7	14%	0.136	9%	0.092	C	C	.	.	H	α-helix	trans	-64.1	-45.1	178.7	-51.7	-170.6	0	0	0	111.3	F302 I323 I782 T783 I789 L790	F302-L786 HydrophobicContact CD1-CD2 3.75Å; F302-L786 HydrophobicContact CD2-CD2 3.83Å; F302-L786 HydrophobicContact CE1-CB 3.83Å; F302-L786 HydrophobicContact CE1-CD1 4.45Å; F302-L786 HydrophobicContact CE1-CD2 3.61Å; F302-L786 HydrophobicContact CE1-CG 4.12Å; F302-L786 HydrophobicContact CE2-CD1 4.11Å; F302-L786 HydrophobicContact CE2-CD2 3.7Å; F302-L786 HydrophobicContact CE2-CG 4.41Å; F302-L786 HydrophobicContact CG-CD2 3.85Å; F302-L786 HydrophobicContact CZ-CB 4.01Å; F302-L786 HydrophobicContact CZ-CD1 3.81Å; F302-L786 HydrophobicContact CZ-CD2 3.6Å; F302-L786 HydrophobicContact CZ-CG 3.98Å; I323-L786 HydrophobicContact CD1-CD2 3.88Å; I323-L786 HydrophobicContact CG1-CD2 4.16Å; I782-L786 HydrophobicContact CG2-CD1 3.92Å; I782-L786 HydrophobicContact CG2-CD2 4.05Å; I782-L786 HydrophobicContact CG2-CG 3.91Å; I782-L786 PolarHBondContact O-N 3.47Å; T783-L786 PolarHBondContact O-N 2.77Å; T783-L786 VanDerWaalsContact O-N 3.14Å; L786-I789 PolarHBondContact O-N 3.19Å; L786-L790 WeakPolarHBondContact O-CB 3.29Å; L786-L790 VanDerWaalsContact O-CG 3.26Å; L786-L790 WeakPolarHBondContact O-CG 3.44Å; L786-L790 PolarHBondContact O-N 3.05Å
787	V	92.5	Very high	92.4	Very high	45 Å²	45	16.6 Å²	16.6	27%	0.273	9%	0.092	S	C	.	.	H	α-helix	trans	-71.7	-35.8	179.3	-177.4	0	0	0	0	111.1	T783 I789 L790 A791 I793 F861	T783-V787 WeakPolarHBondContact O-CG2 3.4Å; T783-V787 PolarHBondContact O-N 3.15Å; V787-I789 VanDerWaalsContact C-N 3.28Å; V787-I789 PolarHBondContact O-N 2.77Å; V787-L790 PolarHBondContact O-N 3.11Å; V787-A791 HydrophobicContact CG1-CB 3.94Å; V787-A791 WeakPolarHBondContact O-CA 3.49Å; V787-A791 VanDerWaalsContact O-CB 3.32Å; V787-A791 WeakPolarHBondContact O-CB 3.34Å; V787-A791 PolarHBondContact O-N 3.03Å; V787-I793 HydrophobicContact CB-CD1 4.32Å; V787-I793 HydrophobicContact CG1-CD1 3.47Å; V787-I793 VanDerWaalsContact CG1-CD1 3.47Å; V787-I793 HydrophobicContact CG1-CG1 4.01Å; V787-F861 HydrophobicContact CB-CE1 3.84Å; V787-F861 HydrophobicContact CB-CZ 3.69Å; V787-F861 HydrophobicContact CG1-CE1 3.98Å; V787-F861 HydrophobicContact CG1-CZ 4.3Å; V787-F861 HydrophobicContact CG2-CE1 3.9Å; V787-F861 HydrophobicContact CG2-CE2 4.06Å; V787-F861 HydrophobicContact CG2-CZ 3.39Å
788	Y	90.9	Very high	92	Very high	25 Å²	25	17 Å²	17	10%	0.098	10%	0.095	C	C	.	.	H	α-helix	trans	-54.9	-43.1	171.4	175.3	-96.4	0	0	0	111.8	F319 P784 F785 D792 I793 L795 R882 D886	F319-Y788 HydrophobicContact CD1-CE1 4.25Å; F319-Y788 HydrophobicContact CE1-CD1 4.09Å; F319-Y788 AromaticContact CE1-CE1 3.41Å; F319-Y788 HydrophobicContact CE1-CE1 3.41Å; F319-Y788 VanDerWaalsContact CE1-CE1 3.41Å; F319-Y788 HydrophobicContact CZ-CD1 4.4Å; F319-Y788 AromaticContact CZ-CE1 3.68Å; F319-Y788 HydrophobicContact CZ-CE1 3.68Å; P784-Y788 WeakPolarHBondContact O-CB 3.5Å; P784-Y788 PolarHBondContact O-N 3.35Å; F785-Y788 PolarHBondContact O-N 3.25Å; Y788-D792 WeakPolarHBondContact O-CA 3.5Å; Y788-D792 PolarHBondContact O-N 3.1Å; Y788-I793 WeakPolarHBondContact CD2-O 3.26Å; Y788-L795 HydrophobicContact CD1-CD1 4.47Å; Y788-L795 HydrophobicContact CD2-CB 3.81Å; Y788-L795 HydrophobicContact CD2-CD1 3.96Å; Y788-L795 HydrophobicContact CE2-CB 3.97Å; Y788-L795 HydrophobicContact CG-CD1 3.89Å; Y788-R882 HydrophobicContact CD2-CG 4.43Å; Y788-R882 HydrophobicContact CE2-CG 3.67Å; Y788-R882 WeakPolarHBondContact OH-CD 3.35Å; Y788-R882 PolarHBondContact OH-NH1 2.95Å; Y788-D886 PolarHBondContact OH-OD2 3.24Å
789	I	88.4	Confident	91.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-74.9	-47.7	179	-62.6	163.1	0	0	0	112	F302 A306 L309 Y311 F319 I323 F785 L786 V787	F302-I789 HydrophobicContact CD1-CD1 4.24Å; A306-I789 HydrophobicContact CB-CG2 4.42Å; L309-I789 HydrophobicContact CD1-CG2 4.25Å; Y311-I789 HydrophobicContact CE2-CG2 4.37Å; Y311-I789 WeakPolarHBondContact OH-CA 3.28Å; Y311-I789 PolarHBondContact OH-O 3.16Å; F319-I789 HydrophobicContact CB-CD1 3.75Å; F319-I789 HydrophobicContact CB-CG1 4.42Å; F319-I789 HydrophobicContact CD2-CD1 3.94Å; F319-I789 HydrophobicContact CD2-CG1 3.78Å; F319-I789 HydrophobicContact CE2-CG1 4.19Å; F319-I789 HydrophobicContact CG-CD1 3.86Å; F319-I789 HydrophobicContact CG-CG1 3.98Å; I323-I789 HydrophobicContact CD1-CD1 3.95Å; F785-I789 WeakPolarHBondContact O-CD1 3.12Å; F785-I789 VanDerWaalsContact O-CG1 3.26Å; F785-I789 WeakPolarHBondContact O-CG1 3.35Å; F785-I789 PolarHBondContact O-N 3.14Å; F785-I789 VanDerWaalsContact O-N 3.09Å; L786-I789 PolarHBondContact O-N 3.19Å; V787-I789 VanDerWaalsContact C-N 3.28Å; V787-I789 PolarHBondContact O-N 2.77Å
790	L	90.9	Very high	91.2	Very high	100 Å²	100	19.8 Å²	19.8	52%	0.524	11%	0.111	S	C	.	.	H	α-helix	trans	-78.1	-35.5	-171	-68.4	174.8	0	0	0	113.6	F302 I305 L786 V787	F302-L790 HydrophobicContact CE1-CD1 3.79Å; F302-L790 HydrophobicContact CE1-CD2 4.21Å; F302-L790 HydrophobicContact CE1-CG 3.91Å; F302-L790 HydrophobicContact CZ-CD1 4.2Å; I305-L790 HydrophobicContact CG2-CD2 3.96Å; L786-L790 WeakPolarHBondContact O-CB 3.29Å; L786-L790 VanDerWaalsContact O-CG 3.26Å; L786-L790 WeakPolarHBondContact O-CG 3.44Å; L786-L790 PolarHBondContact O-N 3.05Å; V787-L790 PolarHBondContact O-N 3.11Å
791	A	91.1	Very high	90.9	Very high	27 Å²	27	20 Å²	20	22%	0.223	11%	0.112	C	C	.	.	H	α-helix	trans	-105.5	-1.9	-175.5	0	0	0	0	0	113.4	V787 I793 L879 G880	V787-A791 HydrophobicContact CG1-CB 3.94Å; V787-A791 WeakPolarHBondContact O-CA 3.49Å; V787-A791 VanDerWaalsContact O-CB 3.32Å; V787-A791 WeakPolarHBondContact O-CB 3.34Å; V787-A791 PolarHBondContact O-N 3.03Å; A791-I793 HydrophobicContact CB-CG2 3.9Å; A791-I793 PolarHBondContact O-N 2.96Å; A791-L879 HydrophobicContact CB-CD2 3.94Å; A791-G880 PolarHBondContact O-N 3.29Å; A791-G880 VanDerWaalsContact O-N 3.11Å
792	D	90.6	Very high	90.8	Very high	38 Å²	38	19.9 Å²	19.9	20%	0.203	11%	0.112	C	C	.	.			trans	48.9	43.9	-177.1	-86.2	-46.3	0	0	0	111.7	Y311 Y788 G880 I881 R882	Y311-D792 PolarHBondContact OH-OD1 3.18Å; Y788-D792 WeakPolarHBondContact O-CA 3.5Å; Y788-D792 PolarHBondContact O-N 3.1Å; D792-G880 CarbonylContact O-C 3.54Å; D792-G880 WeakPolarHBondContact O-CA 3.32Å; D792-G880 PolarHBondContact O-N 3.25Å; D792-I881 PolarHBondContact O-N 3.49Å; D792-I881 VanDerWaalsContact O-N 3.11Å; D792-R882 VanDerWaalsContact C-CB 3.48Å; D792-R882 HydrophobicContact CB-CB 4.23Å; D792-R882 WeakPolarHBondContact O-CB 3.05Å; D792-R882 PolarHBondContact O-N 3.3Å; D792-R882 IonicContact OD1-CZ 3.15Å; D792-R882 IonicContact OD1-NE 2.69Å; D792-R882 PolarHBondContact OD1-NE 3.23Å; D792-R882 IonicContact OD1-NH2 2.83Å; D792-R882 PolarHBondContact OD1-NH2 3.41Å
793	I	93.3	Very high	90.5	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-93.7	163.1	175.7	63.9	163.9	0	0	0	110.9	V787 Y788 A791 P796 F861 Y864 L878 L879	V787-I793 HydrophobicContact CB-CD1 4.32Å; V787-I793 HydrophobicContact CG1-CD1 3.47Å; V787-I793 VanDerWaalsContact CG1-CD1 3.47Å; V787-I793 HydrophobicContact CG1-CG1 4.01Å; Y788-I793 WeakPolarHBondContact CD2-O 3.26Å; A791-I793 HydrophobicContact CB-CG2 3.9Å; A791-I793 PolarHBondContact O-N 2.96Å; I793-P796 HydrophobicContact CD1-CG 3.92Å; I793-F861 HydrophobicContact CD1-CE1 4.44Å; I793-Y864 HydrophobicContact CD1-CE1 3.97Å; I793-L878 HydrophobicContact CG2-CB 4.21Å; I793-L879 HydrophobicContact CG2-CD2 4.23Å
794	P	93	Very high	90.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-57.3	149	167.5	-25.1	36	0	0	0	111.7	P796 Y864 M868 L878 I881 W885	P794-P796 WeakPolarHBondContact O-CD 3.09Å; P794-Y864 WeakPolarHBondContact CD-OH 3.39Å; P794-Y864 PolarHBondContact O-OH 3.24Å; P794-M868 HydrophobicContact CB-CE 3.74Å; P794-M868 HydrophobicContact CG-CE 3.87Å; P794-L878 HydrophobicContact CG-CD2 4.25Å; P794-I881 HydrophobicContact CG-CG2 3.83Å; P794-W885 HydrophobicContact CB-CD2 4.03Å; P794-W885 HydrophobicContact CB-CG 4.15Å; P794-W885 HydrophobicContact CB-CZ2 4.21Å; P794-W885 HydrophobicContact CG-CB 4.4Å; P794-W885 HydrophobicContact CG-CD2 3.49Å; P794-W885 VanDerWaalsContact CG-CD2 3.49Å; P794-W885 HydrophobicContact CG-CE3 3.76Å; P794-W885 HydrophobicContact CG-CG 3.77Å; P794-W885 HydrophobicContact CG-CH2 4.38Å; P794-W885 HydrophobicContact CG-CZ2 4.18Å; P794-W885 HydrophobicContact CG-CZ3 4.19Å
795	L	91.6	Very high	90.4	Very high	26 Å²	26	20.3 Å²	20.3	14%	0.136	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-63.1	121.3	-175.6	-172.7	63.6	0	0	0	110.2	F785 Y788 L797 H914	F785-L795 HydrophobicContact CD1-CD1 4.25Å; F785-L795 HydrophobicContact CE1-CD1 4.18Å; F785-L795 HydrophobicContact CZ-CD1 4.44Å; Y788-L795 HydrophobicContact CD1-CD1 4.47Å; Y788-L795 HydrophobicContact CD2-CB 3.81Å; Y788-L795 HydrophobicContact CD2-CD1 3.96Å; Y788-L795 HydrophobicContact CE2-CB 3.97Å; Y788-L795 HydrophobicContact CG-CD1 3.89Å; L795-L797 VanDerWaalsContact CG-O 3.3Å; L795-L797 WeakPolarHBondContact CG-O 3.35Å; L795-H914 PolarHBondContact O-CD2 2.92Å; L795-H914 VanDerWaalsContact O-CD2 3.26Å; L795-H914 PolarHBondContact O-NE2 3.32Å
796	P	93.4	Very high	90.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-76	-33.1	-178.8	-19.3	32.7	0	0	0	113.8	P784 I793 P794 F861 Y864 H914 F917	P784-P796 HydrophobicContact CB-CB 4.06Å; P784-P796 HydrophobicContact CB-CG 4.12Å; P784-P796 HydrophobicContact CG-CB 4.47Å; I793-P796 HydrophobicContact CD1-CG 3.92Å; P794-P796 WeakPolarHBondContact O-CD 3.09Å; P796-F861 HydrophobicContact CB-CE1 4.32Å; P796-F861 HydrophobicContact CG-CD1 4.48Å; P796-F861 HydrophobicContact CG-CE1 3.76Å; P796-F861 HydrophobicContact CG-CZ 4.48Å; P796-Y864 HydrophobicContact CB-CD2 3.78Å; P796-Y864 HydrophobicContact CB-CE2 4.09Å; P796-Y864 HydrophobicContact CB-CG 4.16Å; P796-Y864 HydrophobicContact CG-CD2 4.33Å; P796-Y864 HydrophobicContact CG-CE2 4.22Å; P796-H914 WeakPolarHBondContact O-CA 3.39Å; P796-H914 PolarHBondContact O-CD2 3.32Å; P796-F917 HydrophobicContact CB-CD2 3.82Å; P796-F917 HydrophobicContact CB-CE2 3.9Å
797	L	92.3	Very high	90.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-142.3	132.2	-177.6	-170.9	72	0	0	0	109.7	E781 P784 L795 T801 I802 F917 F918 I921	E781-L797 HydrophobicContact CB-CD2 4.39Å; E781-L797 HydrophobicContact CG-CD2 4.1Å; P784-L797 HydrophobicContact CB-CB 3.82Å; P784-L797 HydrophobicContact CG-CB 3.71Å; P784-L797 HydrophobicContact CG-CD2 4.35Å; L795-L797 VanDerWaalsContact CG-O 3.3Å; L795-L797 WeakPolarHBondContact CG-O 3.35Å; L797-T801 VanDerWaalsContact CD1-OG1 3.23Å; L797-T801 WeakPolarHBondContact CD1-OG1 3.18Å; L797-I802 HydrophobicContact CD2-CD1 4.32Å; L797-I802 HydrophobicContact CD2-CG1 3.67Å; L797-I802 HydrophobicContact CG-CG1 4.18Å; L797-F917 HydrophobicContact CB-CD1 4.21Å; L797-F917 HydrophobicContact CB-CG 4.33Å; L797-F917 HydrophobicContact CD1-CB 4.07Å; L797-F917 HydrophobicContact CD1-CD1 3.98Å; L797-F917 HydrophobicContact CD1-CG 4.29Å; L797-F917 HydrophobicContact CD2-CD1 4.21Å; L797-F917 HydrophobicContact CD2-CE1 4.4Å; L797-F917 HydrophobicContact CG-CD1 4.37Å; L797-F918 HydrophobicContact CD1-CB 4.33Å; L797-I921 HydrophobicContact CD2-CD1 3.93Å
798	G	86.6	Confident	90.3	Very high	8 Å²	8	19.7 Å²	19.7	8%	0.082	11%	0.114	C	C	.	.			trans	-90.8	161.7	-179.4	0	0	0	0	0	113.6	I800 T801 I802	G798-I800 VanDerWaalsContact C-N 3.33Å; G798-I800 PolarHBondContact O-N 3.19Å; G798-T801 PolarHBondContact N-OG1 3.4Å; G798-T801 PolarHBondContact O-N 2.85Å; G798-T801 PolarHBondContact O-OG1 2.99Å; G798-I802 WeakPolarHBondContact O-CG1 3.38Å; G798-I802 PolarHBondContact O-N 3.14Å; G798-I802 VanDerWaalsContact O-N 3.14Å
799	T	84.1	Confident	90.5	Very high	29 Å²	29	18.5 Å²	18.5	18%	0.178	11%	0.109	C	C	.	.	H	α-helix	trans	-63.4	-36.1	177.8	-43.4	0	0	0	0	113.1	L128 V325 T801 I802 L803	L128-T799 HydrophobicContact CD1-CG2 3.53Å; L128-T799 HydrophobicContact CD2-CG2 3.88Å; L128-T799 HydrophobicContact CG-CG2 4.38Å; V325-T799 HydrophobicContact CG1-CG2 4.01Å; T799-T801 VanDerWaalsContact C-N 3.31Å; T799-T801 PolarHBondContact O-N 2.95Å; T799-I802 WeakPolarHBondContact O-CB 3.12Å; T799-I802 PolarHBondContact O-N 2.77Å; T799-L803 PolarHBondContact O-N 3.13Å; T799-L803 VanDerWaalsContact O-N 3.17Å
800	I	85.7	Confident	90.8	Very high	52 Å²	52	18.6 Å²	18.6	27%	0.267	11%	0.11	S	C	.	.	H	α-helix	trans	-64.7	-38.6	176.7	-61.3	174.9	0	0	0	110.7	G798 I802 L803 C804 L973	G798-I800 VanDerWaalsContact C-N 3.33Å; G798-I800 PolarHBondContact O-N 3.19Å; I800-I802 VanDerWaalsContact C-N 3.34Å; I800-L803 PolarHBondContact O-N 3.25Å; I800-C804 PolarHBondContact O-N 2.86Å; I800-C804 VanDerWaalsContact O-N 3.14Å; I800-C804 PolarHBondContact O-SG 3.43Å; I800-C804 VanDerWaalsContact O-SG 3.38Å; I800-L973 HydrophobicContact CG2-CB 4.24Å; I800-L973 HydrophobicContact CG2-CD2 3.78Å
801	T	90.1	Very high	90.8	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.018	10%	0.099	C	C	.	.	H	α-helix	trans	-69.9	-31.4	178.6	47.7	0	0	0	0	112.4	L797 G798 T799 C804 I805 H914 M975	L797-T801 VanDerWaalsContact CD1-OG1 3.23Å; L797-T801 WeakPolarHBondContact CD1-OG1 3.18Å; G798-T801 PolarHBondContact N-OG1 3.4Å; G798-T801 PolarHBondContact O-N 2.85Å; G798-T801 PolarHBondContact O-OG1 2.99Å; T799-T801 VanDerWaalsContact C-N 3.31Å; T799-T801 PolarHBondContact O-N 2.95Å; T801-C804 WeakPolarHBondContact O-CB 3.46Å; T801-C804 PolarHBondContact O-N 3.43Å; T801-I805 WeakPolarHBondContact O-CG1 3.45Å; T801-I805 PolarHBondContact O-N 3Å; T801-H914 HydrophobicContact CG2-CB 4.05Å; T801-M975 HydrophobicContact CG2-CE 3.64Å; T801-M975 HydrophobicContact CG2-CG 4.42Å
802	I	90.6	Very high	91	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.2	-50.9	170.8	-67.3	173.3	0	0	0	110.2	A326 E781 F785 L797 G798 T799 I800 C804 I805 D806	A326-I802 HydrophobicContact CB-CD1 4.01Å; E781-I802 HydrophobicContact CB-CD1 4.04Å; E781-I802 HydrophobicContact CB-CG1 4.03Å; E781-I802 HydrophobicContact CB-CG2 4.43Å; E781-I802 HydrophobicContact CG-CG1 4.07Å; E781-I802 HydrophobicContact CG-CG2 4.35Å; F785-I802 HydrophobicContact CD2-CD1 4.41Å; F785-I802 HydrophobicContact CE2-CD1 3.69Å; L797-I802 HydrophobicContact CD2-CD1 4.32Å; L797-I802 HydrophobicContact CD2-CG1 3.67Å; L797-I802 HydrophobicContact CG-CG1 4.18Å; G798-I802 WeakPolarHBondContact O-CG1 3.38Å; G798-I802 PolarHBondContact O-N 3.14Å; G798-I802 VanDerWaalsContact O-N 3.14Å; T799-I802 WeakPolarHBondContact O-CB 3.12Å; T799-I802 PolarHBondContact O-N 2.77Å; I800-I802 VanDerWaalsContact C-N 3.34Å; I802-C804 PolarHBondContact O-N 3Å; I802-C804 VanDerWaalsContact O-N 3.13Å; I802-I805 WeakPolarHBondContact O-CA 3.49Å; I802-I805 WeakPolarHBondContact O-CB 3.18Å; I802-I805 PolarHBondContact O-N 3.48Å; I802-D806 VanDerWaalsContact CG2-OD2 3.32Å; I802-D806 WeakPolarHBondContact CG2-OD2 3.43Å; I802-D806 PolarHBondContact O-N 3.41Å; I802-D806 VanDerWaalsContact O-N 3.08Å
803	L	87.7	Confident	91.2	Very high	17 Å²	17	16.1 Å²	16.1	9%	0.089	9%	0.091	C	C	.	.	H	α-helix	trans	-60.4	-29.6	178.1	-64.8	172.3	0	0	0	113.3	L128 V131 T799 I800 I805 L807	L128-L803 HydrophobicContact CD1-CD1 4.03Å; V131-L803 HydrophobicContact CG1-CD1 3.7Å; T799-L803 PolarHBondContact O-N 3.13Å; T799-L803 VanDerWaalsContact O-N 3.17Å; I800-L803 PolarHBondContact O-N 3.25Å; L803-I805 VanDerWaalsContact C-N 3.27Å; L803-I805 PolarHBondContact O-N 2.92Å; L803-L807 HydrophobicContact CD2-CD1 4.25Å; L803-L807 WeakPolarHBondContact O-CB 3.46Å; L803-L807 PolarHBondContact O-N 3.34Å; L803-L807 VanDerWaalsContact O-N 3.13Å
804	C	91.4	Very high	91.3	Very high	16 Å²	16	16 Å²	16	11%	0.108	9%	0.091	C	C	.	.	H	α-helix	trans	-68.2	-25.3	172.5	-69.7	0	0	0	0	113.3	I800 T801 I802 G808 T809 F918 L963 M975	I800-C804 PolarHBondContact O-N 2.86Å; I800-C804 VanDerWaalsContact O-N 3.14Å; I800-C804 PolarHBondContact O-SG 3.43Å; I800-C804 VanDerWaalsContact O-SG 3.38Å; T801-C804 WeakPolarHBondContact O-CB 3.46Å; T801-C804 PolarHBondContact O-N 3.43Å; I802-C804 PolarHBondContact O-N 3Å; I802-C804 VanDerWaalsContact O-N 3.13Å; C804-G808 WeakPolarHBondContact O-CA 3.43Å; C804-G808 PolarHBondContact O-N 3.45Å; C804-T809 PolarHBondContact O-N 3.37Å; C804-F918 HydrophobicContact CB-CE2 4.1Å; C804-L963 HydrophobicContact CB-CD1 4.21Å; C804-M975 HydrophobicContact CB-CE 4.06Å
805	I	92.7	Very high	91.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.1	C	C	.	.	I	π-helix	trans	-77.9	-63.3	175.2	-60.6	162.6	0	0	0	108.8	E781 T801 I802 L803 L807 G808 T809 D810 F918 I921	E781-I805 HydrophobicContact CG-CD1 4.31Å; E781-I805 VanDerWaalsContact OE1-CG2 3.29Å; E781-I805 WeakPolarHBondContact OE1-CG2 3.47Å; T801-I805 WeakPolarHBondContact O-CG1 3.45Å; T801-I805 PolarHBondContact O-N 3Å; I802-I805 WeakPolarHBondContact O-CA 3.49Å; I802-I805 WeakPolarHBondContact O-CB 3.18Å; I802-I805 PolarHBondContact O-N 3.48Å; L803-I805 VanDerWaalsContact C-N 3.27Å; L803-I805 PolarHBondContact O-N 2.92Å; I805-L807 PolarHBondContact O-N 3.43Å; I805-G808 PolarHBondContact O-N 2.79Å; I805-T809 WeakPolarHBondContact CA-OG1 3.5Å; I805-T809 PolarHBondContact O-N 2.96Å; I805-D810 WeakPolarHBondContact CG2-OD2 3.41Å; I805-D810 PolarHBondContact O-N 2.93Å; I805-F918 HydrophobicContact CD1-CD2 3.95Å; I805-F918 HydrophobicContact CG1-CD2 3.47Å; I805-F918 VanDerWaalsContact CG1-CD2 3.47Å; I805-F918 HydrophobicContact CG1-CE2 3.67Å; I805-I921 HydrophobicContact CD1-CB 4.26Å; I805-I921 HydrophobicContact CD1-CD1 3.47Å; I805-I921 VanDerWaalsContact CD1-CD1 3.47Å; I805-I921 HydrophobicContact CD1-CG1 4.46Å; I805-I921 HydrophobicContact CD1-CG2 4.1Å; I805-I921 HydrophobicContact CG2-CG2 4.3Å
806	D	91.1	Very high	91.6	Very high	5 Å²	5	16.7 Å²	16.7	3%	0.027	10%	0.095	C	C	.	.	I	π-helix	trans	-61.3	-41.3	-172.2	-71.9	-57.1	0	0	0	114.4	I802 M811	I802-D806 VanDerWaalsContact CG2-OD2 3.32Å; I802-D806 WeakPolarHBondContact CG2-OD2 3.43Å; I802-D806 PolarHBondContact O-N 3.41Å; I802-D806 VanDerWaalsContact O-N 3.08Å; D806-M811 WeakPolarHBondContact O-CG 3.47Å
807	L	89.7	Confident	91.7	Very high	51 Å²	51	16.7 Å²	16.7	27%	0.267	10%	0.095	S	C	.	.	I	π-helix	trans	-104.3	2.2	-176.4	-59.7	171.7	0	0	0	112.9	V135 E330 L803 I805 M811	V135-L807 HydrophobicContact CG1-CD1 4.31Å; V135-L807 HydrophobicContact CG2-CD1 3.42Å; V135-L807 VanDerWaalsContact CG2-CD1 3.42Å; E330-L807 HydrophobicContact CB-CD1 4.49Å; E330-L807 HydrophobicContact CB-CD2 3.98Å; E330-L807 HydrophobicContact CB-CG 4.31Å; L803-L807 HydrophobicContact CD2-CD1 4.25Å; L803-L807 WeakPolarHBondContact O-CB 3.46Å; L803-L807 PolarHBondContact O-N 3.34Å; L803-L807 VanDerWaalsContact O-N 3.13Å; I805-L807 PolarHBondContact O-N 3.43Å; L807-M811 VanDerWaalsContact O-CE 3.24Å; L807-M811 WeakPolarHBondContact O-CE 3.36Å
808	G	91.9	Very high	91.7	Very high	16 Å²	16	16.9 Å²	16.9	17%	0.165	10%	0.096	C	C	.	.	I	π-helix	trans	-125.7	-88.1	-174.9	0	0	0	0	0	111.8	C804 I805	C804-G808 WeakPolarHBondContact O-CA 3.43Å; C804-G808 PolarHBondContact O-N 3.45Å; I805-G808 PolarHBondContact O-N 2.79Å
809	T	94.4	Very high	92	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.106	C	C	.	.	I	π-helix	trans	-65	-42	-170.5	54	0	0	0	0	112.4	C804 I805 M811 P813 F918 V922 E956 L959	C804-T809 PolarHBondContact O-N 3.37Å; I805-T809 WeakPolarHBondContact CA-OG1 3.5Å; I805-T809 PolarHBondContact O-N 2.96Å; T809-M811 PolarHBondContact O-N 3.04Å; T809-P813 WeakPolarHBondContact O-CD 3.39Å; T809-P813 WeakPolarHBondContact O-CG 3.36Å; T809-F918 HydrophobicContact CG2-CE2 4.02Å; T809-F918 HydrophobicContact CG2-CZ 3.69Å; T809-V922 HydrophobicContact CG2-CG2 4.12Å; T809-E956 HydrophobicContact CG2-CG 4.43Å; T809-L959 HydrophobicContact CG2-CD2 4.07Å; T809-L959 HydrophobicContact CG2-CG 4.3Å
810	D	94.1	Very high	92.5	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.011	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-17.9	-172.1	-82.8	-4.4	0	0	0	114.5	Y773 S777 I805 I812 P813 A814 Q925	Y773-D810 HydrophobicContact CE1-CB 3.91Å; Y773-D810 PolarHBondContact OH-OD1 2.99Å; S777-D810 PolarHBondContact OG-OD2 3.49Å; I805-D810 WeakPolarHBondContact CG2-OD2 3.41Å; I805-D810 PolarHBondContact O-N 2.93Å; D810-I812 PolarHBondContact O-N 3.02Å; D810-P813 WeakPolarHBondContact O-CD 3.35Å; D810-A814 WeakPolarHBondContact O-CB 3.43Å; D810-A814 PolarHBondContact O-N 3.3Å; D810-Q925 PolarHBondContact OD1-NE2 3.4Å; D810-Q925 PolarHBondContact OD2-NE2 3.37Å
811	M	91.5	Very high	92.8	Very high	61 Å²	61	23.4 Å²	23.4	30%	0.3	12%	0.118	S	C	.	.	H	α-helix	trans	-61.9	-50.3	-174.8	-69.7	-152.8	-52.6	0	0	113.2	D806 L807 T809 A814 I815	D806-M811 WeakPolarHBondContact O-CG 3.47Å; L807-M811 VanDerWaalsContact O-CE 3.24Å; L807-M811 WeakPolarHBondContact O-CE 3.36Å; T809-M811 PolarHBondContact O-N 3.04Å; M811-A814 PolarHBondContact O-N 3.18Å; M811-I815 WeakPolarHBondContact O-CB 3.38Å; M811-I815 WeakPolarHBondContact O-CD1 3.39Å; M811-I815 WeakPolarHBondContact O-CG1 3.39Å; M811-I815 PolarHBondContact O-N 2.62Å
812	I	94.8	Very high	92.9	Very high	51 Å²	51	25 Å²	25	26%	0.262	13%	0.132	S	C	.	.	H	α-helix	trans	-68.8	-46.5	-177.2	-57.8	-162.7	0	0	0	111.6	D810 A814 I815 S816 F951 F955	D810-I812 PolarHBondContact O-N 3.02Å; I812-A814 VanDerWaalsContact C-N 3.35Å; I812-A814 PolarHBondContact O-N 2.86Å; I812-I815 PolarHBondContact O-N 3.12Å; I812-S816 WeakPolarHBondContact O-CB 3.33Å; I812-S816 PolarHBondContact O-N 2.99Å; I812-F951 HydrophobicContact CG2-CD1 4.25Å; I812-F951 HydrophobicContact CG2-CE1 4.27Å; I812-F955 HydrophobicContact CB-CD1 3.97Å; I812-F955 HydrophobicContact CB-CE1 4.33Å; I812-F955 HydrophobicContact CD1-CD1 3.47Å; I812-F955 VanDerWaalsContact CD1-CD1 3.47Å; I812-F955 HydrophobicContact CD1-CD2 3.96Å; I812-F955 HydrophobicContact CD1-CE1 3.37Å; I812-F955 HydrophobicContact CD1-CE2 3.87Å; I812-F955 HydrophobicContact CD1-CG 3.76Å; I812-F955 HydrophobicContact CD1-CZ 3.58Å; I812-F955 HydrophobicContact CG1-CD1 3.85Å; I812-F955 HydrophobicContact CG1-CE1 3.74Å; I812-F955 HydrophobicContact CG1-CZ 4.36Å
813	P	95.2	Very high	92.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-51.3	-49.3	169.3	-30.4	37.9	0	0	0	113.2	Y773 T809 D810 I815 S816 L817 L929 E956	Y773-P813 HydrophobicContact CE1-CB 3.83Å; Y773-P813 HydrophobicContact CE2-CB 4.47Å; Y773-P813 WeakPolarHBondContact OH-CB 3.46Å; T809-P813 WeakPolarHBondContact O-CD 3.39Å; T809-P813 WeakPolarHBondContact O-CG 3.36Å; D810-P813 WeakPolarHBondContact O-CD 3.35Å; P813-I815 PolarHBondContact O-N 2.89Å; P813-S816 WeakPolarHBondContact O-CB 3.33Å; P813-S816 PolarHBondContact O-N 3.23Å; P813-S816 VanDerWaalsContact O-N 3.12Å; P813-S816 PolarHBondContact O-OG 2.97Å; P813-L817 PolarHBondContact O-N 3.07Å; P813-L929 HydrophobicContact CB-CD1 3.92Å; P813-L929 HydrophobicContact CB-CD2 3.88Å; P813-L929 HydrophobicContact CB-CG 4.45Å; P813-E956 HydrophobicContact CG-CB 4.03Å; P813-E956 HydrophobicContact CG-CG 4.17Å
814	A	95.4	Very high	92.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.9	-40	-179	0	0	0	0	0	112.6	T335 S770 Y773 D810 M811 I812 S816	T335-A814 HydrophobicContact CG2-CB 3.77Å; S770-A814 PolarHBondContact OG-O 3.33Å; Y773-A814 HydrophobicContact CD1-CB 3.82Å; Y773-A814 HydrophobicContact CE1-CB 4.11Å; D810-A814 WeakPolarHBondContact O-CB 3.43Å; D810-A814 PolarHBondContact O-N 3.3Å; M811-A814 PolarHBondContact O-N 3.18Å; I812-A814 VanDerWaalsContact C-N 3.35Å; I812-A814 PolarHBondContact O-N 2.86Å; A814-S816 VanDerWaalsContact C-N 3.33Å
815	I	94.9	Very high	92.9	Very high	37 Å²	37	32.6 Å²	32.6	19%	0.19	18%	0.18	C	C	.	.	H	α-helix	trans	-66.8	-35.7	174.8	-68.8	163.7	0	0	0	111.1	T335 V338 L342 M811 I812 P813 L817 A818	T335-I815 HydrophobicContact CG2-CG1 4.01Å; V338-I815 HydrophobicContact CB-CD1 4.24Å; V338-I815 HydrophobicContact CB-CG1 4.31Å; V338-I815 HydrophobicContact CG1-CD1 4Å; V338-I815 HydrophobicContact CG1-CG1 4.16Å; V338-I815 HydrophobicContact CG1-CG2 3.79Å; V338-I815 HydrophobicContact CG2-CD1 4.46Å; L342-I815 HydrophobicContact CD1-CG2 3.86Å; M811-I815 WeakPolarHBondContact O-CB 3.38Å; M811-I815 WeakPolarHBondContact O-CD1 3.39Å; M811-I815 WeakPolarHBondContact O-CG1 3.39Å; M811-I815 PolarHBondContact O-N 2.62Å; I812-I815 PolarHBondContact O-N 3.12Å; P813-I815 PolarHBondContact O-N 2.89Å; I815-L817 PolarHBondContact O-N 3.44Å; I815-A818 VanDerWaalsContact O-CB 3.25Å; I815-A818 WeakPolarHBondContact O-CB 3.45Å; I815-A818 PolarHBondContact O-N 2.86Å
816	S	95.9	Very high	92.8	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-63.3	-26.9	-177.8	80.8	0	0	0	0	113.4	I812 P813 A814 A818 Y819 N946 L949	I812-S816 WeakPolarHBondContact O-CB 3.33Å; I812-S816 PolarHBondContact O-N 2.99Å; P813-S816 WeakPolarHBondContact O-CB 3.33Å; P813-S816 PolarHBondContact O-N 3.23Å; P813-S816 VanDerWaalsContact O-N 3.12Å; P813-S816 PolarHBondContact O-OG 2.97Å; A814-S816 VanDerWaalsContact C-N 3.33Å; S816-A818 PolarHBondContact O-N 3.25Å; S816-Y819 WeakPolarHBondContact O-CB 3.33Å; S816-Y819 PolarHBondContact O-N 2.82Å; S816-Y819 VanDerWaalsContact O-N 3.11Å; S816-N946 PolarHBondContact O-ND2 3.17Å; S816-L949 WeakPolarHBondContact OG-CA 3.42Å
817	L	95	Very high	92.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-65.7	-19.6	175.5	-71	167.4	0	0	0	112.7	N766 K769 Y773 P813 I815 Y819 E820 L929 C932 L949	N766-L817 WeakPolarHBondContact CB-O 3.43Å; K769-L817 HydrophobicContact CB-CD1 4.45Å; Y773-L817 HydrophobicContact CG-CD1 4.22Å; P813-L817 PolarHBondContact O-N 3.07Å; I815-L817 PolarHBondContact O-N 3.44Å; L817-Y819 PolarHBondContact O-N 3.36Å; L817-E820 HydrophobicContact CD2-CG 4.29Å; L817-E820 WeakPolarHBondContact O-CB 3.27Å; L817-E820 WeakPolarHBondContact O-CG 3.44Å; L817-E820 PolarHBondContact O-N 3.45Å; L817-L929 HydrophobicContact CD1-CD1 3.86Å; L817-L929 HydrophobicContact CD2-CD1 4.01Å; L817-L929 HydrophobicContact CG-CD1 3.77Å; L817-C932 HydrophobicContact CD1-CB 4.36Å; L817-L949 HydrophobicContact CD2-CD1 4.08Å
818	A	93	Very high	92.9	Very high	3 Å²	3	39.1 Å²	39.1	3%	0.025	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-66	-23.9	172.8	0	0	0	0	0	113.2	C339 I763 N766 I815 S816 E820	C339-A818 HydrophobicContact CB-CB 3.85Å; I763-A818 HydrophobicContact CD1-CB 4.42Å; N766-A818 PolarHBondContact ND2-O 3.2Å; N766-A818 VanDerWaalsContact ND2-O 3.14Å; I815-A818 VanDerWaalsContact O-CB 3.25Å; I815-A818 WeakPolarHBondContact O-CB 3.45Å; I815-A818 PolarHBondContact O-N 2.86Å; S816-A818 PolarHBondContact O-N 3.25Å; A818-E820 VanDerWaalsContact C-N 3.26Å; A818-E820 PolarHBondContact O-N 3.36Å
819	Y	93.7	Very high	92.8	Very high	76 Å²	76	42.6 Å²	42.6	30%	0.298	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-82.8	-0.1	178.1	-73.4	-87.7	0	0	0	113.8	L342 S816 L817 H948	L342-Y819 HydrophobicContact CD1-CD2 4.41Å; L342-Y819 HydrophobicContact CD1-CE2 3.54Å; L342-Y819 WeakPolarHBondContact CD2-OH 3.31Å; S816-Y819 WeakPolarHBondContact O-CB 3.33Å; S816-Y819 PolarHBondContact O-N 2.82Å; S816-Y819 VanDerWaalsContact O-N 3.11Å; L817-Y819 PolarHBondContact O-N 3.36Å; Y819-H948 AromaticContact CD1-CD2 3.4Å; Y819-H948 VanDerWaalsContact CD1-CD2 3.4Å; Y819-H948 WeakPolarHBondContact CD1-CD2 3.23Å; Y819-H948 AromaticContact CD1-NE2 3.78Å; Y819-H948 HydrophobicContact CD2-CB 3.97Å; Y819-H948 AromaticContact CD2-CD2 3.74Å; Y819-H948 AromaticContact CD2-CG 3.9Å; Y819-H948 AromaticContact CE1-CD2 3.6Å; Y819-H948 AromaticContact CE1-NE2 3.53Å; Y819-H948 HydrophobicContact CE2-CB 4.38Å; Y819-H948 AromaticContact CE2-CD2 3.91Å; Y819-H948 AromaticContact CE2-CG 3.99Å; Y819-H948 HydrophobicContact CG-CB 4.3Å; Y819-H948 AromaticContact CG-CD2 3.46Å; Y819-H948 VanDerWaalsContact CG-CD2 3.46Å; Y819-H948 AromaticContact CZ-CD2 3.84Å; Y819-H948 AromaticContact CZ-NE2 3.79Å
820	E	94	Very high	92.8	Very high	4 Å²	4	48 Å²	48	2%	0.019	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-64	140.1	178.1	-74.2	-58.7	136.2	0	0	112.6	N766 L817 A818 K933 N946	N766-E820 PolarHBondContact ND2-O 3.09Å; L817-E820 HydrophobicContact CD2-CG 4.29Å; L817-E820 WeakPolarHBondContact O-CB 3.27Å; L817-E820 WeakPolarHBondContact O-CG 3.44Å; L817-E820 PolarHBondContact O-N 3.45Å; A818-E820 VanDerWaalsContact C-N 3.26Å; A818-E820 PolarHBondContact O-N 3.36Å; E820-K933 VanDerWaalsContact CD-CG 3.48Å; E820-K933 HydrophobicContact CG-CG 4.34Å; E820-K933 IonicContact OE1-NZ 3.63Å; E820-K933 PolarHBondContact OE1-NZ 3.28Å; E820-K933 WeakPolarHBondContact OE2-CG 3.31Å; E820-K933 IonicContact OE2-NZ 2.73Å; E820-K933 PolarHBondContact OE2-NZ 3.04Å; E820-N946 VanDerWaalsContact OE1-CB 3.3Å; E820-N946 WeakPolarHBondContact OE1-CB 3.42Å; E820-N946 PolarHBondContact OE1-ND2 3.02Å
821	E	92.5	Very high	92.8	Very high	147 Å²	147	49.1 Å²	49.1	69%	0.687	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-81.3	164	173.9	-64.4	-177.6	172.1	0	0	110.7
822	A	92.4	Very high	92.9	Very high	36 Å²	36	47.7 Å²	47.7	30%	0.298	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-62.8	139.3	176.3	0	0	0	0	0	111.5	I762 A824 I826 Q942	I762-A822 HydrophobicContact CG1-CB 4.36Å; A822-A824 VanDerWaalsContact C-N 3.32Å; A822-A824 WeakPolarHBondContact CB-O 3.44Å; A822-I826 HydrophobicContact CB-CD1 4.46Å; A822-I826 HydrophobicContact CB-CG1 4.2Å; A822-I826 HydrophobicContact CB-CG2 3.94Å; A822-Q942 PolarHBondContact O-NE2 3.4Å
823	E	90.1	Very high	92.7	Very high	38 Å²	38	48.1 Å²	48.1	18%	0.178	24%	0.243	C	C	.	.	S	Bend	trans	-78.5	-18.6	176.5	-73.4	177.7	-124.5	0	0	112.8	K769 T934 R935 R936 N937	K769-E823 WeakPolarHBondContact CE-OE1 3.18Å; K769-E823 IonicContact NZ-OE1 3.89Å; K769-E823 PolarHBondContact NZ-OE1 3.13Å; E823-T934 WeakPolarHBondContact OE1-CA 3.3Å; E823-R935 VanDerWaalsContact CD-N 3.31Å; E823-R935 PolarHBondContact OE1-N 3.26Å; E823-R935 PolarHBondContact OE2-N 2.94Å; E823-R935 VanDerWaalsContact OE2-N 3.09Å; E823-R936 PolarHBondContact OE2-N 2.94Å; E823-N937 HydrophobicContact CG-CB 4.42Å; E823-N937 PolarHBondContact O-ND2 3.03Å; E823-N937 PolarHBondContact OE2-N 2.95Å
824	A	88.1	Confident	92.3	Very high	72 Å²	72	49.8 Å²	49.8	60%	0.595	25%	0.254	S	S	*	.	S	Bend	trans	-152	175.7	-179.2	0	0	0	0	0	109.9	A822 I826	A822-A824 VanDerWaalsContact C-N 3.32Å; A822-A824 WeakPolarHBondContact CB-O 3.44Å; A824-I826 VanDerWaalsContact C-N 3.31Å; A824-I826 PolarHBondContact O-N 3.3Å
825	D	90	Very high	91.9	Very high	83 Å²	83	56 Å²	56	44%	0.444	29%	0.287	S	S	.	.			trans	-69.4	87.3	173.8	-171.9	-12	0	0	0	110.7	M827 K828	D825-M827 PolarHBondContact O-N 3.22Å; D825-M827 VanDerWaalsContact O-N 3.16Å; D825-M827 PolarHBondContact OD1-N 3.34Å; D825-K828 HydrophobicContact CB-CD 4.26Å; D825-K828 HydrophobicContact CB-CG 4.46Å; D825-K828 PolarHBondContact O-N 2.98Å; D825-K828 VanDerWaalsContact O-N 3.13Å; D825-K828 VanDerWaalsContact OD2-CD 3.32Å; D825-K828 WeakPolarHBondContact OD2-CD 3.35Å; D825-K828 WeakPolarHBondContact OD2-CE 3.48Å; D825-K828 IonicContact OD2-NZ 3.02Å; D825-K828 PolarHBondContact OD2-NZ 3.37Å
826	I	91.2	Very high	91.5	Very high	11 Å²	11	61 Å²	61	6%	0.056	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.2	-177.6	50.8	157	0	0	0	113.4	E758 R761 I762 A822 A824 K828	E758-I826 HydrophobicContact CB-CD1 4.36Å; E758-I826 HydrophobicContact CG-CD1 3.58Å; E758-I826 HydrophobicContact CG-CG1 4.25Å; E758-I826 WeakPolarHBondContact O-CD1 3.3Å; R761-I826 HydrophobicContact CB-CB 4.48Å; R761-I826 HydrophobicContact CB-CD1 3.86Å; R761-I826 PolarHBondContact NH1-O 3.19Å; I762-I826 HydrophobicContact CD1-CD1 4.03Å; I762-I826 HydrophobicContact CG1-CD1 3.4Å; I762-I826 VanDerWaalsContact CG1-CD1 3.4Å; A822-I826 HydrophobicContact CB-CD1 4.46Å; A822-I826 HydrophobicContact CB-CG1 4.2Å; A822-I826 HydrophobicContact CB-CG2 3.94Å; A824-I826 VanDerWaalsContact C-N 3.31Å; A824-I826 PolarHBondContact O-N 3.3Å; I826-K828 VanDerWaalsContact C-N 3.34Å
827	M	91.7	Very high	91.2	Very high	28 Å²	28	64.5 Å²	64.5	14%	0.138	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-7.2	177.7	-66.8	-56.7	-67.7	0	0	112.9	A604 V754 V757 E758 D825	A604-M827 WeakPolarHBondContact CA-O 3.3Å; A604-M827 HydrophobicContact CB-CE 3.95Å; A604-M827 VanDerWaalsContact CB-O 3.3Å; A604-M827 WeakPolarHBondContact CB-O 3.39Å; A604-M827 PolarHBondContact N-O 3.16Å; V754-M827 HydrophobicContact CG1-CE 3.6Å; V757-M827 HydrophobicContact CB-CE 4.48Å; V757-M827 HydrophobicContact CG1-CE 4.2Å; V757-M827 HydrophobicContact CG1-SD 4.12Å; E758-M827 HydrophobicContact CB-CG 4.33Å; E758-M827 HydrophobicContact CB-SD 3.81Å; E758-M827 HydrophobicContact CG-CG 4.24Å; E758-M827 HydrophobicContact CG-SD 4.3Å; D825-M827 PolarHBondContact O-N 3.22Å; D825-M827 VanDerWaalsContact O-N 3.16Å; D825-M827 PolarHBondContact OD1-N 3.34Å
828	K	91.1	Very high	91	Very high	153 Å²	153	66.8 Å²	66.8	67%	0.665	34%	0.337	S	S	*	.	S	Bend	trans	-93.3	-12.9	170	-72	-179.8	176.5	130	0	114	D825 I826	D825-K828 HydrophobicContact CB-CD 4.26Å; D825-K828 HydrophobicContact CB-CG 4.46Å; D825-K828 PolarHBondContact O-N 2.98Å; D825-K828 VanDerWaalsContact O-N 3.13Å; D825-K828 VanDerWaalsContact OD2-CD 3.32Å; D825-K828 WeakPolarHBondContact OD2-CD 3.35Å; D825-K828 WeakPolarHBondContact OD2-CE 3.48Å; D825-K828 IonicContact OD2-NZ 3.02Å; D825-K828 PolarHBondContact OD2-NZ 3.37Å; I826-K828 VanDerWaalsContact C-N 3.34Å
829	R	90.6	Very high	91	Very high	90 Å²	90	66.8 Å²	66.8	34%	0.34	34%	0.337	S	S	.	.	S	Bend	trans	-76.2	144.4	178.2	147.7	172.3	85	-174.5	2.9	110	A604 R761 D765	A604-R829 CarbonylContact C-O 3.35Å; R761-R829 PolarHBondContact NH1-O 2.93Å; D765-R829 IonicContact OD1-NH1 3.52Å; D765-R829 PolarHBondContact OD1-NH1 3.37Å; D765-R829 IonicContact OD2-CZ 3.5Å; D765-R829 VanDerWaalsContact OD2-CZ 3.25Å; D765-R829 IonicContact OD2-NH1 2.67Å; D765-R829 PolarHBondContact OD2-NH1 2.66Å; D765-R829 IonicContact OD2-NH2 2.78Å; D765-R829 PolarHBondContact OD2-NH2 2.87Å
830	M	93.5	Very high	91	Very high	114 Å²	114	63.2 Å²	63.2	56%	0.562	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-64.9	154.5	168.7	-65.7	-65.5	99.4	0	0	111.1
831	P	94.3	Very high	90.8	Very high	24 Å²	24	64.3 Å²	64.3	16%	0.156	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-54.7	146.1	171.1	-20.9	34	0	0	0	110.7	A604 I606	A604-P831 WeakPolarHBondContact O-CD 3.33Å; I606-P831 HydrophobicContact CG1-CG 4.07Å
832	R	93.1	Very high	90.7	Very high	31 Å²	31	65.6 Å²	65.6	12%	0.117	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-64	146.9	180	72.7	171.5	178.6	110.7	-3.8	110.8	E283 E361 S365 F764 P834 D837	E283-R832 IonicContact OE1-CZ 2.94Å; E283-R832 IonicContact OE1-NH1 3.05Å; E283-R832 PolarHBondContact OE1-NH1 3.31Å; E361-R832 IonicContact OE1-CZ 3.32Å; E361-R832 IonicContact OE1-NE 3.6Å; E361-R832 PolarHBondContact OE1-NE 3.42Å; E361-R832 IonicContact OE1-NH2 2.73Å; E361-R832 PolarHBondContact OE1-NH2 3.11Å; E361-R832 IonicContact OE2-NH2 3.07Å; S365-R832 PolarHBondContact OG-NE 3.33Å; S365-R832 PolarHBondContact OG-NH2 3.46Å; F764-R832 VanDerWaalsContact CE2-CZ 3.41Å; R832-P834 WeakPolarHBondContact O-CD 3.21Å; R832-D837 HydrophobicContact CB-CB 3.98Å; R832-D837 PolarHBondContact NH1-O 3.24Å
833	D	91.1	Very high	90.7	Very high	61 Å²	61	68.4 Å²	68.4	33%	0.326	34%	0.338	S	S	.	.			trans	-80.8	114.9	169.9	-176.5	-21.2	0	0	0	109.2	L835 H836 D837	D833-L835 PolarHBondContact O-N 3.47Å; D833-L835 WeakPolarHBondContact OD1-CB 3.36Å; D833-L835 PolarHBondContact OD1-N 3.42Å; D833-H836 HydrophobicContact CB-CB 4.41Å; D833-H836 PolarHBondContact O-N 2.98Å; D833-H836 IonicContact OD1-ND1 2.86Å; D833-H836 IonicContact OD2-CE1 2.77Å; D833-H836 IonicContact OD2-CG 3.95Å; D833-H836 IonicContact OD2-ND1 2.89Å; D833-H836 PolarHBondContact OD2-ND1 3.25Å; D833-D837 PolarHBondContact N-OD2 3.02Å; D833-D837 WeakPolarHBondContact O-CA 3.36Å; D833-D837 WeakPolarHBondContact O-CB 3.37Å; D833-D837 PolarHBondContact O-N 3.01Å
834	P	87.3	Confident	90.9	Very high	34 Å²	34	66.6 Å²	66.6	22%	0.221	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.4	-177.6	27.4	-35.7	0	0	0	113.8	I706 R832 K838	I706-P834 HydrophobicContact CD1-CB 4.47Å; I706-P834 HydrophobicContact CD1-CG 4.41Å; R832-P834 WeakPolarHBondContact O-CD 3.21Å; P834-K838 WeakPolarHBondContact O-CE 3.29Å; P834-K838 PolarHBondContact O-NZ 3.49Å
835	L	86.1	Confident	91.1	Very high	131 Å²	131	64.9 Å²	64.9	69%	0.686	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-41.3	177.6	-64.2	176.6	0	0	0	112.6	D833 K838	D833-L835 PolarHBondContact O-N 3.47Å; D833-L835 WeakPolarHBondContact OD1-CB 3.36Å; D833-L835 PolarHBondContact OD1-N 3.42Å; L835-K838 VanDerWaalsContact O-CE 3.24Å; L835-K838 WeakPolarHBondContact O-CE 3.49Å
836	H	86.9	Confident	91.3	Very high	143 Å²	143	63 Å²	63	66%	0.662	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-38.7	-173.4	-59.3	96	0	0	0	112.8	D833 K838	D833-H836 HydrophobicContact CB-CB 4.41Å; D833-H836 PolarHBondContact O-N 2.98Å; D833-H836 IonicContact OD1-ND1 2.86Å; D833-H836 IonicContact OD2-CE1 2.77Å; D833-H836 IonicContact OD2-CG 3.95Å; D833-H836 IonicContact OD2-ND1 2.89Å; D833-H836 PolarHBondContact OD2-ND1 3.25Å; H836-K838 VanDerWaalsContact C-N 3.33Å; H836-K838 PolarHBondContact O-N 3.4Å; H836-K838 VanDerWaalsContact O-N 3.09Å
837	D	89.9	Confident	91.4	Very high	76 Å²	76	62.8 Å²	62.8	41%	0.406	30%	0.302	S	S	.	.	S	Bend	trans	-90.5	67.1	-176.9	-62.7	-41	0	0	0	111.2	R832 D833	R832-D837 HydrophobicContact CB-CB 3.98Å; R832-D837 PolarHBondContact NH1-O 3.24Å; D833-D837 PolarHBondContact N-OD2 3.02Å; D833-D837 WeakPolarHBondContact O-CA 3.36Å; D833-D837 WeakPolarHBondContact O-CB 3.37Å; D833-D837 PolarHBondContact O-N 3.01Å
838	K	91.3	Very high	91.6	Very high	48 Å²	48	61.6 Å²	61.6	21%	0.209	30%	0.297	C	S	.	.			trans	-67.9	153.4	177.2	-61.5	-57.3	-171.6	-173.8	0	112.6	E283 K768 P834 L835 H836 N841	E283-K838 IonicContact OE1-NZ 2.71Å; E283-K838 WeakPolarHBondContact OE2-CA 3.36Å; E283-K838 WeakPolarHBondContact OE2-CD 3.49Å; K768-K838 WeakPolarHBondContact CE-O 3.29Å; K768-K838 PolarHBondContact NZ-O 3.34Å; P834-K838 WeakPolarHBondContact O-CE 3.29Å; P834-K838 PolarHBondContact O-NZ 3.49Å; L835-K838 VanDerWaalsContact O-CE 3.24Å; L835-K838 WeakPolarHBondContact O-CE 3.49Å; H836-K838 VanDerWaalsContact C-N 3.33Å; H836-K838 PolarHBondContact O-N 3.4Å; H836-K838 VanDerWaalsContact O-N 3.09Å; K838-N841 HydrophobicContact CB-CB 4.49Å
839	L	92.6	Very high	91.6	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	27%	0.27	C	S	.	.	S	Bend	trans	-64	-48.1	173.7	-176.6	67.3	0	0	0	110.4	I280 E283 F764 L767 K768 I771	I280-L839 HydrophobicContact CD1-CD2 3.97Å; E283-L839 HydrophobicContact CB-CB 3.75Å; E283-L839 HydrophobicContact CB-CD2 4.14Å; E283-L839 HydrophobicContact CG-CB 4.03Å; E283-L839 PolarHBondContact OE2-N 2.8Å; F764-L839 HydrophobicContact CD2-CD1 4.03Å; F764-L839 HydrophobicContact CE2-CB 4.06Å; F764-L839 HydrophobicContact CE2-CD1 3.79Å; F764-L839 HydrophobicContact CZ-CB 4.22Å; F764-L839 HydrophobicContact CZ-CD1 4.19Å; L767-L839 HydrophobicContact CB-CD1 3.98Å; K768-L839 WeakPolarHBondContact CE-O 3.46Å; K768-L839 HydrophobicContact CG-CD1 3.88Å; K768-L839 WeakPolarHBondContact CG-O 3.29Å; I771-L839 HydrophobicContact CD1-CD1 4.2Å; I771-L839 HydrophobicContact CD1-CD2 3.53Å; I771-L839 HydrophobicContact CD1-CG 3.74Å
840	V	92.4	Very high	91.8	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	28%	0.278	C	S	.	.	S	Bend	trans	-116.1	111.6	172.5	-179.4	0	0	0	0	108	F287 L290 I771 L844 I845	F287-V840 HydrophobicContact CB-CB 4.39Å; F287-V840 HydrophobicContact CB-CG2 4.19Å; F287-V840 HydrophobicContact CD2-CB 3.96Å; F287-V840 HydrophobicContact CD2-CG1 4.04Å; F287-V840 HydrophobicContact CD2-CG2 3.55Å; F287-V840 HydrophobicContact CE2-CG2 4.19Å; F287-V840 HydrophobicContact CG-CG2 4.02Å; L290-V840 HydrophobicContact CD2-CG1 4.15Å; I771-V840 HydrophobicContact CD1-CG2 4.3Å; I771-V840 HydrophobicContact CG2-CG2 3.71Å; V840-L844 HydrophobicContact CG1-CD2 4.35Å; V840-I845 HydrophobicContact CG1-CD1 3.84Å; V840-I845 HydrophobicContact CG1-CG1 4.08Å
841	N	90.8	Very high	91.9	Very high	27 Å²	27	50.1 Å²	50.1	14%	0.144	26%	0.26	C	S	.	.			trans	-112.4	170.1	178	59.1	20.6	0	0	0	110.3	K838 R843 L844 I845 Y1019	K838-N841 HydrophobicContact CB-CB 4.49Å; N841-R843 PolarHBondContact O-N 3.4Å; N841-R843 WeakPolarHBondContact OD1-CB 3.29Å; N841-R843 PolarHBondContact OD1-N 3.45Å; N841-L844 WeakPolarHBondContact O-CB 3.28Å; N841-L844 PolarHBondContact O-N 3.08Å; N841-L844 VanDerWaalsContact O-N 3.09Å; N841-L844 WeakPolarHBondContact OD1-CB 3.32Å; N841-L844 PolarHBondContact OD1-N 3.47Å; N841-I845 PolarHBondContact O-N 3.39Å; N841-Y1019 PolarHBondContact ND2-OXT 2.79Å
842	E	90	Very high	92	Very high	174 Å²	174	49.1 Å²	49.1	81%	0.813	25%	0.254	S	S	*	.	H	α-helix	trans	-58.5	-30	178.9	-63.4	176.9	177.4	0	0	112.4	I845 S846	E842-I845 PolarHBondContact O-N 2.93Å; E842-S846 VanDerWaalsContact O-CB 3.27Å; E842-S846 WeakPolarHBondContact O-CB 3.38Å; E842-S846 PolarHBondContact O-N 3.26Å
843	R	93	Very high	92.1	Very high	95 Å²	95	47.7 Å²	47.7	36%	0.358	25%	0.248	S	C	.	.	H	α-helix	trans	-65.8	-42	176.6	-55.6	176.6	-174	164.1	3.8	112	N841 S846 M847 K1015 Y1018	N841-R843 PolarHBondContact O-N 3.4Å; N841-R843 WeakPolarHBondContact OD1-CB 3.29Å; N841-R843 PolarHBondContact OD1-N 3.45Å; R843-S846 PolarHBondContact O-N 3.19Å; R843-M847 WeakPolarHBondContact O-CB 3.44Å; R843-M847 WeakPolarHBondContact O-CG 3.26Å; R843-M847 PolarHBondContact O-N 3.33Å; R843-K1015 WeakPolarHBondContact CD-O 3.26Å; R843-K1015 PolarHBondContact NE-O 2.88Å; R843-Y1018 WeakPolarHBondContact CD-O 3.47Å; R843-Y1018 PolarHBondContact NH1-O 3.28Å
844	L	94	Very high	92.4	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-62.4	-47.3	177	-166	152.8	0	0	0	109.8	K768 A772 L775 V840 N841 M847 A848 Y1019	K768-L844 HydrophobicContact CB-CD1 4.45Å; A772-L844 HydrophobicContact CB-CD1 4.27Å; A772-L844 HydrophobicContact CB-CD2 4.14Å; A772-L844 HydrophobicContact CB-CG 4.12Å; L775-L844 HydrophobicContact CD1-CD2 3.81Å; V840-L844 HydrophobicContact CG1-CD2 4.35Å; N841-L844 WeakPolarHBondContact O-CB 3.28Å; N841-L844 PolarHBondContact O-N 3.08Å; N841-L844 VanDerWaalsContact O-N 3.09Å; N841-L844 WeakPolarHBondContact OD1-CB 3.32Å; N841-L844 PolarHBondContact OD1-N 3.47Å; L844-M847 PolarHBondContact O-N 3.11Å; L844-A848 HydrophobicContact CD2-CB 4.43Å; L844-A848 VanDerWaalsContact O-CB 3.29Å; L844-A848 WeakPolarHBondContact O-CB 3.26Å; L844-A848 PolarHBondContact O-N 2.99Å; L844-Y1019 HydrophobicContact CB-CG 4.27Å; L844-Y1019 HydrophobicContact CD1-CD2 4.02Å; L844-Y1019 HydrophobicContact CG-CD2 4.16Å; L844-Y1019 HydrophobicContact CG-CG 4.27Å
845	I	92.6	Very high	92.8	Very high	35 Å²	35	49.7 Å²	49.7	18%	0.179	26%	0.255	C	S	.	.	H	α-helix	trans	-64.1	-42.5	177	-59.2	-59.5	0	0	0	111.1	L290 I291 L775 V840 N841 E842 M847 A848 Y849 G850	L290-I845 HydrophobicContact CD2-CG1 4.14Å; I291-I845 HydrophobicContact CD1-CD1 4.28Å; L775-I845 HydrophobicContact CD1-CD1 3.97Å; V840-I845 HydrophobicContact CG1-CD1 3.84Å; V840-I845 HydrophobicContact CG1-CG1 4.08Å; N841-I845 PolarHBondContact O-N 3.39Å; E842-I845 PolarHBondContact O-N 2.93Å; I845-M847 VanDerWaalsContact C-N 3.32Å; I845-M847 PolarHBondContact O-N 3.08Å; I845-A848 PolarHBondContact O-N 3.2Å; I845-Y849 HydrophobicContact CG2-CD2 4.09Å; I845-Y849 HydrophobicContact CG2-CG 4.13Å; I845-Y849 WeakPolarHBondContact O-CA 3.36Å; I845-Y849 VanDerWaalsContact O-CB 3.29Å; I845-Y849 WeakPolarHBondContact O-CB 3.41Å; I845-Y849 PolarHBondContact O-N 3.28Å; I845-G850 PolarHBondContact O-N 3.41Å
846	S	93.6	Very high	93.3	Very high	45 Å²	45	43.5 Å²	43.5	32%	0.315	22%	0.223	S	C	.	.	H	α-helix	trans	-58.4	-43.3	176.3	-178.7	0	0	0	0	112.1	E842 R843 G850 Q851	E842-S846 VanDerWaalsContact O-CB 3.27Å; E842-S846 WeakPolarHBondContact O-CB 3.38Å; E842-S846 PolarHBondContact O-N 3.26Å; R843-S846 PolarHBondContact O-N 3.19Å; S846-G850 CarbonylContact O-C 3.25Å; S846-G850 WeakPolarHBondContact O-CA 3.21Å; S846-G850 PolarHBondContact O-N 3.38Å; S846-G850 VanDerWaalsContact O-N 3.1Å; S846-Q851 PolarHBondContact O-N 2.81Å
847	M	94.5	Very high	93.8	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.03	19%	0.193	C	C	.	.	H	α-helix	trans	-69.9	-53.8	176.6	-77	-60.7	-53.7	0	0	112.5	R843 L844 I845 Q851 I852 T1017 Y1019	R843-M847 WeakPolarHBondContact O-CB 3.44Å; R843-M847 WeakPolarHBondContact O-CG 3.26Å; R843-M847 PolarHBondContact O-N 3.33Å; L844-M847 PolarHBondContact O-N 3.11Å; I845-M847 VanDerWaalsContact C-N 3.32Å; I845-M847 PolarHBondContact O-N 3.08Å; M847-Q851 PolarHBondContact O-N 3.3Å; M847-Q851 PolarHBondContact SD-OE1 3.35Å; M847-I852 HydrophobicContact CE-CD1 4.38Å; M847-I852 HydrophobicContact CE-CG1 4.32Å; M847-I852 PolarHBondContact O-N 3.43Å; M847-T1017 WeakPolarHBondContact CG-O 3.3Å; M847-T1017 VanDerWaalsContact SD-CB 3.53Å; M847-T1017 HydrophobicContact SD-CG2 3.81Å; M847-Y1019 HydrophobicContact CB-CD1 4.17Å; M847-Y1019 HydrophobicContact CB-CE1 4.35Å; M847-Y1019 HydrophobicContact CG-CD1 4Å; M847-Y1019 HydrophobicContact CG-CE1 4.37Å
848	A	94.4	Very high	94.1	Very high	3 Å²	3	36 Å²	36	3%	0.025	19%	0.193	C	C	.	.	I	π-helix	trans	-69.6	-59.7	-175.2	0	0	0	0	0	111.2	L775 L844 I845 G853	L775-A848 HydrophobicContact CB-CB 4.27Å; L844-A848 HydrophobicContact CD2-CB 4.43Å; L844-A848 VanDerWaalsContact O-CB 3.29Å; L844-A848 WeakPolarHBondContact O-CB 3.26Å; L844-A848 PolarHBondContact O-N 2.99Å; I845-A848 PolarHBondContact O-N 3.2Å; A848-G853 WeakPolarHBondContact O-CA 3.43Å; A848-G853 PolarHBondContact O-N 3.21Å
849	Y	92.7	Very high	94.3	Very high	24 Å²	24	33.8 Å²	33.8	9%	0.094	18%	0.183	C	C	.	.	I	π-helix	trans	-77.8	-44.5	-176.7	-76.3	20.3	0	0	0	112.3	L775 N778 I779 I845	L775-Y849 HydrophobicContact CB-CD1 4.29Å; L775-Y849 HydrophobicContact CB-CE1 3.72Å; L775-Y849 HydrophobicContact CD2-CE1 4.01Å; L775-Y849 HydrophobicContact CG-CE1 4.34Å; L775-Y849 WeakPolarHBondContact O-CD1 2.95Å; L775-Y849 WeakPolarHBondContact O-CE1 3.32Å; N778-Y849 HydrophobicContact CB-CE1 4.14Å; N778-Y849 PolarHBondContact ND2-OH 2.95Å; I779-Y849 HydrophobicContact CD1-CD1 4.25Å; I779-Y849 HydrophobicContact CD1-CD2 3.93Å; I779-Y849 HydrophobicContact CD1-CG 3.76Å; I779-Y849 HydrophobicContact CG1-CD1 4.17Å; I779-Y849 HydrophobicContact CG1-CG 4.06Å; I845-Y849 HydrophobicContact CG2-CD2 4.09Å; I845-Y849 HydrophobicContact CG2-CG 4.13Å; I845-Y849 WeakPolarHBondContact O-CA 3.36Å; I845-Y849 VanDerWaalsContact O-CB 3.29Å; I845-Y849 WeakPolarHBondContact O-CB 3.41Å; I845-Y849 PolarHBondContact O-N 3.28Å
850	G	92.8	Very high	94.4	Very high	50 Å²	50	33.7 Å²	33.7	52%	0.515	18%	0.182	S	C	.	.	I	π-helix	trans	-79.7	-25.3	-169.4	0	0	0	0	0	115.1	I845 S846	I845-G850 PolarHBondContact O-N 3.41Å; S846-G850 CarbonylContact O-C 3.25Å; S846-G850 WeakPolarHBondContact O-CA 3.21Å; S846-G850 PolarHBondContact O-N 3.38Å; S846-G850 VanDerWaalsContact O-N 3.1Å
851	Q	95.6	Very high	94.6	Very high	41 Å²	41	34.9 Å²	34.9	19%	0.192	19%	0.187	C	C	.	.	I	π-helix	trans	-123.3	-69.4	-171.6	-61.8	170.4	32.8	0	0	111.8	S846 M847 M854 I855 Y996	S846-Q851 PolarHBondContact O-N 2.81Å; M847-Q851 PolarHBondContact O-N 3.3Å; M847-Q851 PolarHBondContact SD-OE1 3.35Å; Q851-M854 PolarHBondContact O-N 2.88Å; Q851-I855 WeakPolarHBondContact O-CG1 3.29Å; Q851-I855 PolarHBondContact O-N 2.88Å; Q851-Y996 HydrophobicContact CB-CE1 4.41Å; Q851-Y996 PolarHBondContact OE1-OH 3Å
852	I	96.5	Very high	94.8	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	20%	0.2	C	C	.	.	I	π-helix	trans	-67.7	-47.8	-172.3	-52.6	-56	0	0	0	110.5	T776 M847 M854 I855 Q856 D928 I931 I993 Y996	T776-I852 HydrophobicContact CG2-CB 3.74Å; T776-I852 HydrophobicContact CG2-CG2 3.5Å; T776-I852 VanDerWaalsContact CG2-CG2 3.5Å; M847-I852 HydrophobicContact CE-CD1 4.38Å; M847-I852 HydrophobicContact CE-CG1 4.32Å; M847-I852 PolarHBondContact O-N 3.43Å; I852-M854 PolarHBondContact O-N 2.86Å; I852-I855 WeakPolarHBondContact O-CA 3.4Å; I852-I855 WeakPolarHBondContact O-CB 3.4Å; I852-I855 PolarHBondContact O-N 3.36Å; I852-Q856 HydrophobicContact CG2-CG 4.44Å; I852-Q856 WeakPolarHBondContact O-CG 3.42Å; I852-Q856 PolarHBondContact O-N 2.93Å; I852-D928 WeakPolarHBondContact CG2-OD1 3.24Å; I852-I931 HydrophobicContact CD1-CD1 4.03Å; I852-I931 HydrophobicContact CG1-CD1 4.12Å; I852-I931 HydrophobicContact CG2-CD1 4.27Å; I852-I993 HydrophobicContact CD1-CG2 4.4Å; I852-I993 HydrophobicContact CG2-CD1 4.12Å; I852-I993 HydrophobicContact CG2-CG1 4.2Å; I852-I993 HydrophobicContact CG2-CG2 3.82Å; I852-Y996 HydrophobicContact CD1-CD1 3.74Å; I852-Y996 HydrophobicContact CD1-CE1 4.06Å
853	G	96.1	Very high	95.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.9	-31.3	177.8	0	0	0	0	0	112.9	T776 I779 A848 Q856 A857	T776-G853 WeakPolarHBondContact O-CA 3.31Å; I779-G853 WeakPolarHBondContact CG2-O 3.33Å; A848-G853 WeakPolarHBondContact O-CA 3.43Å; A848-G853 PolarHBondContact O-N 3.21Å; G853-Q856 PolarHBondContact O-N 3.44Å; G853-A857 WeakPolarHBondContact O-CB 3.08Å; G853-A857 PolarHBondContact O-N 3.31Å
854	M	96.5	Very high	95.2	Very high	108 Å²	108	25.3 Å²	25.3	53%	0.532	15%	0.145	S	C	.	.	H	α-helix	trans	-71.3	-35.3	176	-149.2	63.7	145.4	0	0	112.5	I779 Q851 I852 S858	I779-M854 HydrophobicContact CG2-SD 4.19Å; Q851-M854 PolarHBondContact O-N 2.88Å; I852-M854 PolarHBondContact O-N 2.86Å; M854-S858 WeakPolarHBondContact O-CB 3.22Å; M854-S858 PolarHBondContact O-N 2.89Å; M854-S858 PolarHBondContact O-OG 3.14Å
855	I	96.9	Very high	95.3	Very high	30 Å²	30	28.6 Å²	28.6	15%	0.154	16%	0.159	C	C	.	.	H	α-helix	trans	-68.8	-41.3	172.3	-59.6	166.8	0	0	0	109.9	Q851 I852 S858 G859 F989 L992 I993	Q851-I855 WeakPolarHBondContact O-CG1 3.29Å; Q851-I855 PolarHBondContact O-N 2.88Å; I852-I855 WeakPolarHBondContact O-CA 3.4Å; I852-I855 WeakPolarHBondContact O-CB 3.4Å; I852-I855 PolarHBondContact O-N 3.36Å; I855-S858 WeakPolarHBondContact O-CB 3.4Å; I855-S858 PolarHBondContact O-N 2.87Å; I855-G859 PolarHBondContact O-N 3.45Å; I855-F989 HydrophobicContact CG2-CB 4.38Å; I855-F989 HydrophobicContact CG2-CD1 4.19Å; I855-L992 HydrophobicContact CG2-CD2 4.05Å; I855-L992 HydrophobicContact CG2-CG 4.47Å; I855-I993 HydrophobicContact CB-CD1 4.39Å; I855-I993 HydrophobicContact CB-CG1 4.02Å; I855-I993 HydrophobicContact CD1-CG1 4.37Å; I855-I993 HydrophobicContact CG2-CD1 4.08Å; I855-I993 HydrophobicContact CG2-CG1 3.62Å
856	Q	96.9	Very high	95.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-60.3	-47.9	175.1	-64.6	-165.9	-10	0	0	111.7	T776 P780 I852 G853 S858 G859 G860 V924 I993	T776-Q856 HydrophobicContact CG2-CG 4.3Å; P780-Q856 HydrophobicContact CB-CB 4.23Å; P780-Q856 HydrophobicContact CG-CB 3.82Å; I852-Q856 HydrophobicContact CG2-CG 4.44Å; I852-Q856 WeakPolarHBondContact O-CG 3.42Å; I852-Q856 PolarHBondContact O-N 2.93Å; G853-Q856 PolarHBondContact O-N 3.44Å; Q856-S858 VanDerWaalsContact C-N 3.31Å; Q856-S858 PolarHBondContact O-N 2.96Å; Q856-G859 PolarHBondContact O-N 3.24Å; Q856-G859 VanDerWaalsContact O-N 3.1Å; Q856-G860 PolarHBondContact O-N 2.99Å; Q856-V924 HydrophobicContact CB-CB 4.48Å; Q856-V924 HydrophobicContact CB-CG2 3.74Å; Q856-V924 HydrophobicContact CG-CB 3.93Å; Q856-V924 HydrophobicContact CG-CG2 3.48Å; Q856-V924 VanDerWaalsContact CG-CG2 3.48Å; Q856-I993 HydrophobicContact CG-CD1 3.73Å
857	A	96.2	Very high	95.5	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.033	15%	0.146	C	C	.	.	H	α-helix	trans	-57.9	-44.1	175.7	0	0	0	0	0	111.6	I779 P780 T783 G853 G859 G860 F861	I779-A857 HydrophobicContact CG2-CB 4.15Å; P780-A857 HydrophobicContact CB-CB 4.29Å; T783-A857 HydrophobicContact CG2-CB 4.36Å; T783-A857 WeakPolarHBondContact OG1-CB 3.2Å; G853-A857 WeakPolarHBondContact O-CB 3.08Å; G853-A857 PolarHBondContact O-N 3.31Å; A857-G859 VanDerWaalsContact C-N 3.29Å; A857-G859 PolarHBondContact O-N 3.35Å; A857-G860 PolarHBondContact O-N 3.36Å; A857-F861 WeakPolarHBondContact O-CD2 3.05Å; A857-F861 PolarHBondContact O-N 3.09Å
858	S	96.1	Very high	95.5	Very high	58 Å²	58	26.1 Å²	26.1	41%	0.406	14%	0.144	S	C	.	.	H	α-helix	trans	-59.4	-39.8	176.4	-58.7	0	0	0	0	112.1	M854 I855 Q856 F862	M854-S858 WeakPolarHBondContact O-CB 3.22Å; M854-S858 PolarHBondContact O-N 2.89Å; M854-S858 PolarHBondContact O-OG 3.14Å; I855-S858 WeakPolarHBondContact O-CB 3.4Å; I855-S858 PolarHBondContact O-N 2.87Å; Q856-S858 VanDerWaalsContact C-N 3.31Å; Q856-S858 PolarHBondContact O-N 2.96Å; S858-F862 VanDerWaalsContact O-CB 3.31Å; S858-F862 WeakPolarHBondContact O-CB 3.5Å; S858-F862 PolarHBondContact O-N 2.91Å
859	G	95.4	Very high	95.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.2	-45.6	174.8	0	0	0	0	0	113	I855 Q856 A857 F862 V863 F989	I855-G859 PolarHBondContact O-N 3.45Å; Q856-G859 PolarHBondContact O-N 3.24Å; Q856-G859 VanDerWaalsContact O-N 3.1Å; A857-G859 VanDerWaalsContact C-N 3.29Å; A857-G859 PolarHBondContact O-N 3.35Å; G859-F862 WeakPolarHBondContact O-CB 3.43Å; G859-F862 PolarHBondContact O-N 2.72Å; G859-V863 PolarHBondContact O-N 3.05Å; G859-F989 VanDerWaalsContact CA-CG 3.47Å
860	G	95.5	Very high	95.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.1	-47.2	176.3	0	0	0	0	0	112.7	Q856 A857 F862 V863 Y864 F917	Q856-G860 PolarHBondContact O-N 2.99Å; A857-G860 PolarHBondContact O-N 3.36Å; G860-F862 VanDerWaalsContact C-N 3.32Å; G860-F862 PolarHBondContact O-N 3.02Å; G860-V863 PolarHBondContact O-N 3.08Å; G860-Y864 PolarHBondContact O-N 3.13Å; G860-F917 VanDerWaalsContact C-CD2 3.46Å; G860-F917 VanDerWaalsContact O-CD2 3.28Å; G860-F917 WeakPolarHBondContact O-CD2 3.46Å; G860-F917 WeakPolarHBondContact O-CE2 3.32Å
861	F	96.1	Very high	95.6	Very high	26 Å²	26	30.6 Å²	30.6	11%	0.114	16%	0.158	C	C	.	.	H	α-helix	trans	-63.6	-36.4	175.6	-82.2	-69.6	0	0	0	112.6	V787 I793 P796 A857 Y864 F865 F917	V787-F861 HydrophobicContact CB-CE1 3.84Å; V787-F861 HydrophobicContact CB-CZ 3.69Å; V787-F861 HydrophobicContact CG1-CE1 3.98Å; V787-F861 HydrophobicContact CG1-CZ 4.3Å; V787-F861 HydrophobicContact CG2-CE1 3.9Å; V787-F861 HydrophobicContact CG2-CE2 4.06Å; V787-F861 HydrophobicContact CG2-CZ 3.39Å; I793-F861 HydrophobicContact CD1-CE1 4.44Å; P796-F861 HydrophobicContact CB-CE1 4.32Å; P796-F861 HydrophobicContact CG-CD1 4.48Å; P796-F861 HydrophobicContact CG-CE1 3.76Å; P796-F861 HydrophobicContact CG-CZ 4.48Å; A857-F861 WeakPolarHBondContact O-CD2 3.05Å; A857-F861 PolarHBondContact O-N 3.09Å; F861-Y864 WeakPolarHBondContact O-CB 3.42Å; F861-Y864 PolarHBondContact O-N 3.35Å; F861-F865 HydrophobicContact CB-CD2 4.42Å; F861-F865 HydrophobicContact CB-CE2 4.18Å; F861-F865 HydrophobicContact CD1-CE2 4.34Å; F861-F865 WeakPolarHBondContact O-CD2 3.39Å; F861-F865 PolarHBondContact O-N 3.5Å; F861-F917 HydrophobicContact CD1-CE2 4.41Å; F861-F917 HydrophobicContact CD2-CE2 4.48Å; F861-F917 HydrophobicContact CG-CE2 4.31Å
862	F	96.1	Very high	95.4	Very high	95 Å²	95	28.7 Å²	28.7	42%	0.417	15%	0.149	S	C	.	.	H	α-helix	trans	-61.6	-47.8	175.9	-177.5	-107.8	0	0	0	111.4	S858 G859 G860 Y864 F865 V866 P985 F989	S858-F862 VanDerWaalsContact O-CB 3.31Å; S858-F862 WeakPolarHBondContact O-CB 3.5Å; S858-F862 PolarHBondContact O-N 2.91Å; G859-F862 WeakPolarHBondContact O-CB 3.43Å; G859-F862 PolarHBondContact O-N 2.72Å; G860-F862 VanDerWaalsContact C-N 3.32Å; G860-F862 PolarHBondContact O-N 3.02Å; F862-Y864 VanDerWaalsContact C-N 3.32Å; F862-Y864 PolarHBondContact O-N 3Å; F862-F865 PolarHBondContact O-N 2.93Å; F862-V866 HydrophobicContact CD1-CG2 4.35Å; F862-V866 HydrophobicContact CE1-CG2 4.05Å; F862-V866 HydrophobicContact CE2-CG2 4.31Å; F862-V866 HydrophobicContact CZ-CG2 4.02Å; F862-V866 VanDerWaalsContact O-CG2 3.31Å; F862-V866 WeakPolarHBondContact O-CG2 3.31Å; F862-V866 PolarHBondContact O-N 3.25Å; F862-P985 HydrophobicContact CD1-CB 3.89Å; F862-P985 HydrophobicContact CE1-CB 3.77Å; F862-F989 HydrophobicContact CB-CE2 3.7Å; F862-F989 HydrophobicContact CB-CZ 3.83Å; F862-F989 AromaticContact CD1-CE2 3.68Å; F862-F989 HydrophobicContact CD1-CE2 3.68Å; F862-F989 HydrophobicContact CD1-CZ 4.43Å; F862-F989 HydrophobicContact CE1-CE2 4.45Å; F862-F989 AromaticContact CG-CE2 3.75Å; F862-F989 HydrophobicContact CG-CE2 3.75Å; F862-F989 HydrophobicContact CG-CZ 4.06Å
863	V	95.3	Very high	95.3	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-58.9	-44.3	174.9	172.1	0	0	0	0	111.1	G859 G860 F865 V866 I867 A916 P985	G859-V863 PolarHBondContact O-N 3.05Å; G860-V863 PolarHBondContact O-N 3.08Å; V863-F865 PolarHBondContact O-N 3.38Å; V863-V866 PolarHBondContact O-N 2.95Å; V863-I867 HydrophobicContact CG1-CD1 3.86Å; V863-I867 WeakPolarHBondContact O-CG1 3.42Å; V863-I867 PolarHBondContact O-N 3.23Å; V863-A916 HydrophobicContact CG1-CB 3.76Å; V863-P985 HydrophobicContact CG2-CB 3.85Å; V863-P985 HydrophobicContact CG2-CG 4.41Å
864	Y	95.8	Very high	95.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-55.9	-50.1	175.6	167.5	-94.5	0	0	0	112.5	I793 P794 P796 G860 F861 F862 V866 I867 M868 L878 C913	I793-Y864 HydrophobicContact CD1-CE1 3.97Å; P794-Y864 WeakPolarHBondContact CD-OH 3.39Å; P794-Y864 PolarHBondContact O-OH 3.24Å; P796-Y864 HydrophobicContact CB-CD2 3.78Å; P796-Y864 HydrophobicContact CB-CE2 4.09Å; P796-Y864 HydrophobicContact CB-CG 4.16Å; P796-Y864 HydrophobicContact CG-CD2 4.33Å; P796-Y864 HydrophobicContact CG-CE2 4.22Å; G860-Y864 PolarHBondContact O-N 3.13Å; F861-Y864 WeakPolarHBondContact O-CB 3.42Å; F861-Y864 PolarHBondContact O-N 3.35Å; F862-Y864 VanDerWaalsContact C-N 3.32Å; F862-Y864 PolarHBondContact O-N 3Å; Y864-V866 PolarHBondContact O-N 3.36Å; Y864-I867 PolarHBondContact O-N 3.1Å; Y864-M868 HydrophobicContact CD2-CG 4.43Å; Y864-M868 HydrophobicContact CE1-CG 4.26Å; Y864-M868 HydrophobicContact CE2-CE 3.54Å; Y864-M868 HydrophobicContact CE2-CG 4.04Å; Y864-M868 WeakPolarHBondContact O-CB 3.1Å; Y864-M868 WeakPolarHBondContact O-CG 3.44Å; Y864-M868 PolarHBondContact O-N 3.39Å; Y864-M868 WeakPolarHBondContact OH-CE 3.48Å; Y864-L878 HydrophobicContact CE1-CD1 4.02Å; Y864-C913 HydrophobicContact CD2-CB 3.91Å; Y864-C913 HydrophobicContact CE2-CB 4.29Å
865	F	95.2	Very high	94.9	Very high	69 Å²	69	32 Å²	32	30%	0.303	16%	0.164	S	C	.	.	H	α-helix	trans	-67.8	-35.4	-179.9	-71.7	-56.5	0	0	0	112.9	F861 F862 V863 A869 P875 L878	F861-F865 HydrophobicContact CB-CD2 4.42Å; F861-F865 HydrophobicContact CB-CE2 4.18Å; F861-F865 HydrophobicContact CD1-CE2 4.34Å; F861-F865 WeakPolarHBondContact O-CD2 3.39Å; F861-F865 PolarHBondContact O-N 3.5Å; F862-F865 PolarHBondContact O-N 2.93Å; V863-F865 PolarHBondContact O-N 3.38Å; F865-A869 WeakPolarHBondContact O-CB 3.3Å; F865-A869 PolarHBondContact O-N 3.14Å; F865-P875 HydrophobicContact CB-CG 4.37Å; F865-P875 HydrophobicContact CD1-CB 4.06Å; F865-P875 HydrophobicContact CD1-CG 4.09Å; F865-P875 HydrophobicContact CE1-CB 4.35Å; F865-P875 HydrophobicContact CG-CG 4.44Å; F865-L878 HydrophobicContact CD1-CD1 3.79Å; F865-L878 HydrophobicContact CE1-CD1 3.9Å
866	V	95	Very high	94.6	Very high	35 Å²	35	35 Å²	35	21%	0.212	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-48	174.6	169.4	0	0	0	0	110.4	F862 V863 Y864 A869 E870 P985	F862-V866 HydrophobicContact CD1-CG2 4.35Å; F862-V866 HydrophobicContact CE1-CG2 4.05Å; F862-V866 HydrophobicContact CE2-CG2 4.31Å; F862-V866 HydrophobicContact CZ-CG2 4.02Å; F862-V866 VanDerWaalsContact O-CG2 3.31Å; F862-V866 WeakPolarHBondContact O-CG2 3.31Å; F862-V866 PolarHBondContact O-N 3.25Å; V863-V866 PolarHBondContact O-N 2.95Å; Y864-V866 PolarHBondContact O-N 3.36Å; V866-A869 PolarHBondContact O-N 3.26Å; V866-E870 HydrophobicContact CG1-CG 4.47Å; V866-E870 WeakPolarHBondContact O-CB 3.23Å; V866-E870 WeakPolarHBondContact O-CG 3.41Å; V866-E870 PolarHBondContact O-N 3.26Å; V866-P985 HydrophobicContact CG1-CG 4.46Å
867	I	95.2	Very high	94.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67	-43.7	-178.5	-67	171.7	0	0	0	111.3	V863 Y864 A869 E870 N871 L909 A916 W982	V863-I867 HydrophobicContact CG1-CD1 3.86Å; V863-I867 WeakPolarHBondContact O-CG1 3.42Å; V863-I867 PolarHBondContact O-N 3.23Å; Y864-I867 PolarHBondContact O-N 3.1Å; I867-A869 PolarHBondContact O-N 3.42Å; I867-E870 PolarHBondContact O-N 2.85Å; I867-N871 PolarHBondContact O-N 3.32Å; I867-N871 VanDerWaalsContact O-N 3.1Å; I867-N871 PolarHBondContact O-ND2 3.28Å; I867-L909 HydrophobicContact CG2-CD1 3.99Å; I867-A916 HydrophobicContact CD1-CB 3.05Å; I867-W982 HydrophobicContact CD1-CB 4.11Å; I867-W982 HydrophobicContact CD1-CD2 3.9Å; I867-W982 HydrophobicContact CD1-CE3 4.05Å; I867-W982 HydrophobicContact CD1-CG 3.94Å; I867-W982 HydrophobicContact CG1-CB 4.43Å; I867-W982 HydrophobicContact CG1-CD2 3.79Å; I867-W982 HydrophobicContact CG1-CE3 4.32Å; I867-W982 HydrophobicContact CG1-CG 3.83Å; I867-W982 HydrophobicContact CG2-CH2 4.37Å; I867-W982 HydrophobicContact CG2-CZ2 4.3Å
868	M	94.9	Very high	94.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.7	-46.7	176.1	-75.4	-64.7	-161	0	0	111.2	P794 Y864 N871 G872 F873 L878 W885 L909	P794-M868 HydrophobicContact CB-CE 3.74Å; P794-M868 HydrophobicContact CG-CE 3.87Å; Y864-M868 HydrophobicContact CD2-CG 4.43Å; Y864-M868 HydrophobicContact CE1-CG 4.26Å; Y864-M868 HydrophobicContact CE2-CE 3.54Å; Y864-M868 HydrophobicContact CE2-CG 4.04Å; Y864-M868 WeakPolarHBondContact O-CB 3.1Å; Y864-M868 WeakPolarHBondContact O-CG 3.44Å; Y864-M868 PolarHBondContact O-N 3.39Å; Y864-M868 WeakPolarHBondContact OH-CE 3.48Å; M868-N871 CarbonylContact O-C 3.57Å; M868-N871 PolarHBondContact O-N 3.17Å; M868-G872 PolarHBondContact O-N 2.84Å; M868-F873 CarbonylContact C-O 3.46Å; M868-F873 HydrophobicContact CB-CB 4.24Å; M868-F873 CarbonylContact O-C 3.6Å; M868-F873 WeakPolarHBondContact O-CA 3.44Å; M868-F873 PolarHBondContact O-N 3.43Å; M868-F873 HydrophobicContact SD-CB 4.37Å; M868-L878 HydrophobicContact CB-CD1 3.83Å; M868-L878 HydrophobicContact CB-CD2 4.46Å; M868-L878 HydrophobicContact CE-CD2 4.33Å; M868-L878 HydrophobicContact CG-CD1 3.96Å; M868-L878 HydrophobicContact CG-CD2 4.26Å; M868-L878 HydrophobicContact SD-CD2 4.16Å; M868-W885 HydrophobicContact CE-CH2 3.91Å; M868-W885 HydrophobicContact CE-CZ2 4.01Å; M868-W885 HydrophobicContact SD-CH2 4.06Å; M868-L909 HydrophobicContact SD-CD2 4.14Å; M868-L909 HydrophobicContact SD-CG 4.34Å
869	A	94.5	Very high	93.9	Very high	28 Å²	28	41.2 Å²	41.2	23%	0.231	21%	0.209	C	C	.	.	H	α-helix	trans	-65.9	-41.2	-179.7	0	0	0	0	0	112.8	F865 V866 I867 N871 G872 F873	F865-A869 WeakPolarHBondContact O-CB 3.3Å; F865-A869 PolarHBondContact O-N 3.14Å; V866-A869 PolarHBondContact O-N 3.26Å; I867-A869 PolarHBondContact O-N 3.42Å; A869-N871 PolarHBondContact O-N 3.18Å; A869-G872 PolarHBondContact O-N 3.16Å; A869-G872 VanDerWaalsContact O-N 3.16Å; A869-F873 WeakPolarHBondContact CA-O 3.46Å; A869-F873 PolarHBondContact N-O 3.11Å
870	E	93.7	Very high	93.6	Very high	104 Å²	104	43.1 Å²	43.1	49%	0.486	23%	0.229	S	C	.	.	H	α-helix	trans	-63.6	-30	176	-78.9	-173.1	-174.4	0	0	112.9	V866 I867 W982	V866-E870 HydrophobicContact CG1-CG 4.47Å; V866-E870 WeakPolarHBondContact O-CB 3.23Å; V866-E870 WeakPolarHBondContact O-CG 3.41Å; V866-E870 PolarHBondContact O-N 3.26Å; I867-E870 PolarHBondContact O-N 2.85Å; E870-W982 PolarHBondContact OE2-NE1 2.88Å
871	N	93.4	Very high	93.5	Very high	39 Å²	39	43.1 Å²	43.1	21%	0.209	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	9.9	177	-69.6	-86	0	0	0	113.2	I867 M868 A869 W901 L909	I867-N871 PolarHBondContact O-N 3.32Å; I867-N871 VanDerWaalsContact O-N 3.1Å; I867-N871 PolarHBondContact O-ND2 3.28Å; M868-N871 CarbonylContact O-C 3.57Å; M868-N871 PolarHBondContact O-N 3.17Å; A869-N871 PolarHBondContact O-N 3.18Å; N871-W901 HydrophobicContact CB-CH2 4.29Å; N871-W901 WeakPolarHBondContact O-CZ2 3.5Å; N871-L909 HydrophobicContact CB-CD1 3.78Å; N871-L909 HydrophobicContact CB-CD2 3.64Å; N871-L909 HydrophobicContact CB-CG 4.39Å; N871-L909 WeakPolarHBondContact ND2-CD1 3.28Å
872	G	92.6	Very high	93.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.9	-2.5	170.8	0	0	0	0	0	116.6	M868 A869 D895 S896 Y897	M868-G872 PolarHBondContact O-N 2.84Å; A869-G872 PolarHBondContact O-N 3.16Å; A869-G872 VanDerWaalsContact O-N 3.16Å; G872-D895 WeakPolarHBondContact O-CB 3.31Å; G872-S896 WeakPolarHBondContact O-CA 3.46Å; G872-S896 WeakPolarHBondContact O-CB 3.49Å; G872-S896 PolarHBondContact O-N 3.09Å; G872-S896 PolarHBondContact O-OG 3.47Å; G872-Y897 VanDerWaalsContact CA-CD2 3.46Å
873	F	94.5	Very high	92.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.			trans	-101.5	92.7	176.5	-64.9	-85.7	0	0	0	110.6	M868 A869 L878 I881 W885 D895 W901 L909	M868-F873 CarbonylContact C-O 3.46Å; M868-F873 HydrophobicContact CB-CB 4.24Å; M868-F873 CarbonylContact O-C 3.6Å; M868-F873 WeakPolarHBondContact O-CA 3.44Å; M868-F873 PolarHBondContact O-N 3.43Å; M868-F873 HydrophobicContact SD-CB 4.37Å; A869-F873 WeakPolarHBondContact CA-O 3.46Å; A869-F873 PolarHBondContact N-O 3.11Å; F873-L878 HydrophobicContact CB-CD2 3.77Å; F873-L878 HydrophobicContact CB-CG 4.36Å; F873-L878 HydrophobicContact CG-CD2 4.46Å; F873-I881 HydrophobicContact CD1-CD1 4.06Å; F873-I881 HydrophobicContact CE1-CD1 4.07Å; F873-W885 AromaticContact CD1-CZ3 3.89Å; F873-W885 HydrophobicContact CD1-CZ3 3.89Å; F873-W885 HydrophobicContact CD2-CH2 4.26Å; F873-W885 HydrophobicContact CD2-CZ3 4.07Å; F873-W885 HydrophobicContact CE1-CE3 4.34Å; F873-W885 AromaticContact CE1-CZ3 3.66Å; F873-W885 HydrophobicContact CE1-CZ3 3.66Å; F873-W885 HydrophobicContact CE2-CH2 4.1Å; F873-W885 AromaticContact CE2-CZ3 3.85Å; F873-W885 HydrophobicContact CE2-CZ3 3.85Å; F873-W885 HydrophobicContact CG-CZ3 4.1Å; F873-W885 HydrophobicContact CZ-CH2 4.31Å; F873-W885 AromaticContact CZ-CZ3 3.63Å; F873-W885 HydrophobicContact CZ-CZ3 3.63Å; F873-D895 HydrophobicContact CD1-CB 4.13Å; F873-D895 HydrophobicContact CD2-CB 4.36Å; F873-D895 HydrophobicContact CE1-CB 3.77Å; F873-D895 HydrophobicContact CE2-CB 4.02Å; F873-D895 HydrophobicContact CG-CB 4.41Å; F873-D895 HydrophobicContact CZ-CB 3.72Å; F873-W901 AromaticContact CE2-CD2 3.91Å; F873-W901 HydrophobicContact CE2-CD2 3.91Å; F873-W901 AromaticContact CE2-CE2 3.79Å; F873-W901 HydrophobicContact CE2-CE3 4.43Å; F873-W901 HydrophobicContact CE2-CG 4.13Å; F873-W901 HydrophobicContact CE2-CZ2 4.26Å; F873-W901 AromaticContact CE2-NE1 3.85Å; F873-W901 HydrophobicContact CZ-CB 4.43Å; F873-W901 AromaticContact CZ-CD1 3.77Å; F873-W901 HydrophobicContact CZ-CD2 4.15Å; F873-W901 AromaticContact CZ-CG 3.88Å; F873-W901 HydrophobicContact CZ-CG 3.88Å; F873-W901 AromaticContact CZ-NE1 4Å; F873-L909 HydrophobicContact CD2-CD2 3.89Å; F873-L909 HydrophobicContact CE2-CD2 4Å
874	W	93.1	Very high	92.6	Very high	121 Å²	121	49.1 Å²	49.1	46%	0.458	25%	0.251	S	S	.	.			trans	-64	149.7	175.6	-67.5	-2.6	0	0	0	111.1	S876 R877 L878 S896 Y897	W874-S876 PolarHBondContact O-N 3.49Å; W874-R877 PolarHBondContact O-N 3.36Å; W874-L878 PolarHBondContact O-N 3.04Å; W874-S896 PolarHBondContact N-OG 3.25Å; W874-Y897 HydrophobicContact CZ2-CE1 4.22Å; W874-Y897 AromaticContact NE1-CZ 3.83Å
875	P	90.7	Very high	92.4	Very high	62 Å²	62	49.1 Å²	49.1	40%	0.403	25%	0.251	S	S	.	.	H	α-helix	trans	-53	-32.3	-178.6	-29.2	35.7	0	0	0	114.5	F865 L878	F865-P875 HydrophobicContact CB-CG 4.37Å; F865-P875 HydrophobicContact CD1-CB 4.06Å; F865-P875 HydrophobicContact CD1-CG 4.09Å; F865-P875 HydrophobicContact CE1-CB 4.35Å; F865-P875 HydrophobicContact CG-CG 4.44Å; P875-L878 PolarHBondContact O-N 3.28Å
876	S	90.4	Very high	92.1	Very high	92 Å²	92	48 Å²	48	64%	0.643	25%	0.248	S	C	*	.	H	α-helix	trans	-67.6	-31.3	176.4	53.1	0	0	0	0	113.8	W874	W874-S876 PolarHBondContact O-N 3.49Å
877	R	91.4	Very high	91.8	Very high	77 Å²	77	48.3 Å²	48.3	29%	0.291	25%	0.252	S	S	.	.	H	α-helix	trans	-80.7	-21.6	177.9	178.1	56.1	-178.3	126.8	-2.7	112.4	W874 I881 E884 S896	W874-R877 PolarHBondContact O-N 3.36Å; R877-I881 HydrophobicContact CG-CD1 4.22Å; R877-E884 IonicContact CZ-OE2 3.61Å; R877-E884 IonicContact NH1-OE2 3.51Å; R877-E884 IonicContact NH2-OE2 2.78Å; R877-E884 PolarHBondContact NH2-OE2 2.9Å; R877-S896 WeakPolarHBondContact CB-OG 3.18Å
878	L	91.7	Very high	91.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-70.9	-29.6	-178	-68.6	174.4	0	0	0	113.2	I793 P794 Y864 F865 M868 F873 W874 P875 G880 I881	I793-L878 HydrophobicContact CG2-CB 4.21Å; P794-L878 HydrophobicContact CG-CD2 4.25Å; Y864-L878 HydrophobicContact CE1-CD1 4.02Å; F865-L878 HydrophobicContact CD1-CD1 3.79Å; F865-L878 HydrophobicContact CE1-CD1 3.9Å; M868-L878 HydrophobicContact CB-CD1 3.83Å; M868-L878 HydrophobicContact CB-CD2 4.46Å; M868-L878 HydrophobicContact CE-CD2 4.33Å; M868-L878 HydrophobicContact CG-CD1 3.96Å; M868-L878 HydrophobicContact CG-CD2 4.26Å; M868-L878 HydrophobicContact SD-CD2 4.16Å; F873-L878 HydrophobicContact CB-CD2 3.77Å; F873-L878 HydrophobicContact CB-CG 4.36Å; F873-L878 HydrophobicContact CG-CD2 4.46Å; W874-L878 PolarHBondContact O-N 3.04Å; P875-L878 PolarHBondContact O-N 3.28Å; L878-G880 PolarHBondContact O-N 3.48Å; L878-I881 HydrophobicContact CD2-CG2 4.5Å; L878-I881 WeakPolarHBondContact O-CG2 3.39Å; L878-I881 PolarHBondContact O-N 2.85Å
879	L	91.6	Very high	91	Very high	116 Å²	116	58.5 Å²	58.5	61%	0.607	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	123.1	-178.7	-63	176.3	0	0	0	110.6	A791 I793 I881	A791-L879 HydrophobicContact CB-CD2 3.94Å; I793-L879 HydrophobicContact CG2-CD2 4.23Å; L879-I881 VanDerWaalsContact C-N 3.28Å; L879-I881 PolarHBondContact O-N 3.33Å
880	G	89.6	Confident	90.8	Very high	41 Å²	41	59.4 Å²	59.4	42%	0.423	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	-0.6	179.9	0	0	0	0	0	115.7	A791 D792 L878 R882	A791-G880 PolarHBondContact O-N 3.29Å; A791-G880 VanDerWaalsContact O-N 3.11Å; D792-G880 CarbonylContact O-C 3.54Å; D792-G880 WeakPolarHBondContact O-CA 3.32Å; D792-G880 PolarHBondContact O-N 3.25Å; L878-G880 PolarHBondContact O-N 3.48Å; G880-R882 VanDerWaalsContact C-N 3.31Å; G880-R882 PolarHBondContact O-N 3.39Å
881	I	92.9	Very high	90.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.31	C	S	.	.			trans	-76.8	-16.4	-173.6	-156.4	171.5	0	0	0	113.2	D792 P794 F873 R877 L878 L879 R883 E884 W885 L893	D792-I881 PolarHBondContact O-N 3.49Å; D792-I881 VanDerWaalsContact O-N 3.11Å; P794-I881 HydrophobicContact CG-CG2 3.83Å; F873-I881 HydrophobicContact CD1-CD1 4.06Å; F873-I881 HydrophobicContact CE1-CD1 4.07Å; R877-I881 HydrophobicContact CG-CD1 4.22Å; L878-I881 HydrophobicContact CD2-CG2 4.5Å; L878-I881 WeakPolarHBondContact O-CG2 3.39Å; L878-I881 PolarHBondContact O-N 2.85Å; L879-I881 VanDerWaalsContact C-N 3.28Å; L879-I881 PolarHBondContact O-N 3.33Å; I881-R883 VanDerWaalsContact C-N 3.32Å; I881-R883 PolarHBondContact O-N 3.49Å; I881-E884 HydrophobicContact CG1-CB 4.43Å; I881-E884 CarbonylContact O-C 3.14Å; I881-E884 WeakPolarHBondContact O-CA 3.39Å; I881-E884 WeakPolarHBondContact O-CB 3.42Å; I881-E884 PolarHBondContact O-N 3.02Å; I881-W885 HydrophobicContact CD1-CE3 4.33Å; I881-W885 HydrophobicContact CG2-CB 4.46Å; I881-W885 HydrophobicContact CG2-CE3 4.48Å; I881-W885 WeakPolarHBondContact O-CB 3.48Å; I881-W885 PolarHBondContact O-N 3.48Å; I881-L893 HydrophobicContact CD1-CD1 4.45Å; I881-L893 HydrophobicContact CD1-CD2 4.09Å; I881-L893 HydrophobicContact CG1-CD1 4.46Å; I881-L893 HydrophobicContact CG1-CD2 4.27Å
882	R	89.8	Confident	90.7	Very high	11 Å²	11	61.1 Å²	61.1	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-51.8	-43.5	-171.1	-178.2	-172.8	73.7	87.8	5.6	114.1	Y311 Y788 D792 G880 E884 W885 D886	Y311-R882 PolarHBondContact OH-NE 3.12Å; Y311-R882 PolarHBondContact OH-NH2 3.01Å; Y788-R882 HydrophobicContact CD2-CG 4.43Å; Y788-R882 HydrophobicContact CE2-CG 3.67Å; Y788-R882 WeakPolarHBondContact OH-CD 3.35Å; Y788-R882 PolarHBondContact OH-NH1 2.95Å; D792-R882 VanDerWaalsContact C-CB 3.48Å; D792-R882 HydrophobicContact CB-CB 4.23Å; D792-R882 WeakPolarHBondContact O-CB 3.05Å; D792-R882 PolarHBondContact O-N 3.3Å; D792-R882 IonicContact OD1-CZ 3.15Å; D792-R882 IonicContact OD1-NE 2.69Å; D792-R882 PolarHBondContact OD1-NE 3.23Å; D792-R882 IonicContact OD1-NH2 2.83Å; D792-R882 PolarHBondContact OD1-NH2 3.41Å; G880-R882 VanDerWaalsContact C-N 3.31Å; G880-R882 PolarHBondContact O-N 3.39Å; R882-E884 VanDerWaalsContact C-N 3.29Å; R882-E884 PolarHBondContact O-N 2.84Å; R882-W885 CarbonylContact O-C 3.56Å; R882-W885 PolarHBondContact O-N 3.47Å; R882-W885 VanDerWaalsContact O-N 3.1Å; R882-D886 WeakPolarHBondContact CG-OD2 3.42Å; R882-D886 WeakPolarHBondContact O-CB 3.48Å; R882-D886 PolarHBondContact O-N 3.09Å
883	R	87	Confident	90.7	Very high	161 Å²	161	61.3 Å²	61.3	61%	0.608	33%	0.327	S	S	*	.	H	α-helix	trans	-60.7	-41	178.1	-67.5	-176.2	-179	-177.1	0	111.9	I881 S887	I881-R883 VanDerWaalsContact C-N 3.32Å; I881-R883 PolarHBondContact O-N 3.49Å; R883-S887 WeakPolarHBondContact O-CB 3.4Å; R883-S887 PolarHBondContact O-N 3.25Å
884	E	91.5	Very high	90.6	Very high	75 Å²	75	63.4 Å²	63.4	35%	0.35	34%	0.344	S	S	.	.	H	α-helix	trans	-68.8	-41.3	175.1	-64.9	172.9	-168.3	0	0	110.5	R877 I881 R882 I890 L893 R906	R877-E884 IonicContact CZ-OE2 3.61Å; R877-E884 IonicContact NH1-OE2 3.51Å; R877-E884 IonicContact NH2-OE2 2.78Å; R877-E884 PolarHBondContact NH2-OE2 2.9Å; I881-E884 HydrophobicContact CG1-CB 4.43Å; I881-E884 CarbonylContact O-C 3.14Å; I881-E884 WeakPolarHBondContact O-CA 3.39Å; I881-E884 WeakPolarHBondContact O-CB 3.42Å; I881-E884 PolarHBondContact O-N 3.02Å; R882-E884 VanDerWaalsContact C-N 3.29Å; R882-E884 PolarHBondContact O-N 2.84Å; E884-I890 HydrophobicContact CB-CD1 4.05Å; E884-I890 HydrophobicContact CG-CD1 4.17Å; E884-L893 HydrophobicContact CB-CD1 3.78Å; E884-L893 HydrophobicContact CG-CD1 4.5Å; E884-L893 WeakPolarHBondContact OE2-CD1 3.4Å; E884-R906 PolarHBondContact O-NH1 3.36Å; E884-R906 PolarHBondContact O-NH2 3.44Å
885	W	92.7	Very high	90.6	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-71.8	-26.4	-176.7	-169	-80.4	0	0	0	115.6	P794 M868 F873 I881 R882 L893 R906 L909 E910	P794-W885 HydrophobicContact CB-CD2 4.03Å; P794-W885 HydrophobicContact CB-CG 4.15Å; P794-W885 HydrophobicContact CB-CZ2 4.21Å; P794-W885 HydrophobicContact CG-CB 4.4Å; P794-W885 HydrophobicContact CG-CD2 3.49Å; P794-W885 VanDerWaalsContact CG-CD2 3.49Å; P794-W885 HydrophobicContact CG-CE3 3.76Å; P794-W885 HydrophobicContact CG-CG 3.77Å; P794-W885 HydrophobicContact CG-CH2 4.38Å; P794-W885 HydrophobicContact CG-CZ2 4.18Å; P794-W885 HydrophobicContact CG-CZ3 4.19Å; M868-W885 HydrophobicContact CE-CH2 3.91Å; M868-W885 HydrophobicContact CE-CZ2 4.01Å; M868-W885 HydrophobicContact SD-CH2 4.06Å; F873-W885 AromaticContact CD1-CZ3 3.89Å; F873-W885 HydrophobicContact CD1-CZ3 3.89Å; F873-W885 HydrophobicContact CD2-CH2 4.26Å; F873-W885 HydrophobicContact CD2-CZ3 4.07Å; F873-W885 HydrophobicContact CE1-CE3 4.34Å; F873-W885 AromaticContact CE1-CZ3 3.66Å; F873-W885 HydrophobicContact CE1-CZ3 3.66Å; F873-W885 HydrophobicContact CE2-CH2 4.1Å; F873-W885 AromaticContact CE2-CZ3 3.85Å; F873-W885 HydrophobicContact CE2-CZ3 3.85Å; F873-W885 HydrophobicContact CG-CZ3 4.1Å; F873-W885 HydrophobicContact CZ-CH2 4.31Å; F873-W885 AromaticContact CZ-CZ3 3.63Å; F873-W885 HydrophobicContact CZ-CZ3 3.63Å; I881-W885 HydrophobicContact CD1-CE3 4.33Å; I881-W885 HydrophobicContact CG2-CB 4.46Å; I881-W885 HydrophobicContact CG2-CE3 4.48Å; I881-W885 WeakPolarHBondContact O-CB 3.48Å; I881-W885 PolarHBondContact O-N 3.48Å; R882-W885 CarbonylContact O-C 3.56Å; R882-W885 PolarHBondContact O-N 3.47Å; R882-W885 VanDerWaalsContact O-N 3.1Å; W885-L893 HydrophobicContact CE3-CD2 3.88Å; W885-R906 HydrophobicContact CD2-CB 4.31Å; W885-R906 HydrophobicContact CD2-CG 4.48Å; W885-R906 HydrophobicContact CE3-CB 4.41Å; W885-R906 HydrophobicContact CH2-CB 3.94Å; W885-R906 HydrophobicContact CZ2-CB 3.79Å; W885-R906 VanDerWaalsContact CZ2-O 3.27Å; W885-R906 WeakPolarHBondContact CZ2-O 3.49Å; W885-R906 HydrophobicContact CZ3-CB 4.24Å; W885-R906 PolarHBondContact O-NE 2.96Å; W885-R906 PolarHBondContact O-NH2 2.96Å; W885-L909 HydrophobicContact CH2-CD2 4.15Å; W885-E910 VanDerWaalsContact CD1-OE2 3.28Å; W885-E910 HydrophobicContact CZ2-CB 4.21Å; W885-E910 PolarHBondContact NE1-OE2 3.13Å
886	D	87.4	Confident	90.7	Very high	47 Å²	47	56.9 Å²	56.9	25%	0.251	32%	0.318	S	S	.	.	H	α-helix	trans	-96.9	-15.8	177.4	-71.7	-24.4	0	0	0	112.2	Y788 R882 K888 K907	Y788-D886 PolarHBondContact OH-OD2 3.24Å; R882-D886 WeakPolarHBondContact CG-OD2 3.42Å; R882-D886 WeakPolarHBondContact O-CB 3.48Å; R882-D886 PolarHBondContact O-N 3.09Å; D886-K888 PolarHBondContact O-N 3.38Å; D886-K907 IonicContact OD1-NZ 3.43Å; D886-K907 PolarHBondContact OD1-NZ 3.22Å
887	S	88.4	Confident	90.8	Very high	41 Å²	41	59.4 Å²	59.4	29%	0.287	31%	0.314	S	S	.	.			trans	-71.6	110.2	179.5	179.3	0	0	0	0	113.5	R883 A889 I890 R906	R883-S887 WeakPolarHBondContact O-CB 3.4Å; R883-S887 PolarHBondContact O-N 3.25Å; S887-A889 PolarHBondContact O-N 3.44Å; S887-A889 VanDerWaalsContact O-N 3.1Å; S887-A889 PolarHBondContact OG-N 2.97Å; S887-I890 PolarHBondContact O-N 3.26Å; S887-I890 VanDerWaalsContact O-N 3.16Å; S887-R906 VanDerWaalsContact C-NH2 3.27Å; S887-R906 PolarHBondContact O-NH2 3.45Å
888	K	85.8	Confident	90.8	Very high	126 Å²	126	58.4 Å²	58.4	55%	0.548	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.4	172.9	-68.4	-179.8	-178.4	176.6	0	113.9	D886 N891 Y903	D886-K888 PolarHBondContact O-N 3.38Å; K888-N891 PolarHBondContact O-ND2 3.12Å; K888-Y903 HydrophobicContact CB-CD2 4.34Å; K888-Y903 HydrophobicContact CB-CE2 4.44Å; K888-Y903 HydrophobicContact CG-CD1 4.48Å; K888-Y903 HydrophobicContact CG-CD2 4Å; K888-Y903 HydrophobicContact CG-CE1 4.17Å; K888-Y903 HydrophobicContact CG-CE2 3.66Å; K888-Y903 HydrophobicContact CG-CG 4.42Å
889	A	88.8	Confident	90.9	Very high	88 Å²	88	63.5 Å²	63.5	73%	0.727	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-23.3	179.9	0	0	0	0	0	113.1	S887	S887-A889 PolarHBondContact O-N 3.44Å; S887-A889 VanDerWaalsContact O-N 3.1Å; S887-A889 PolarHBondContact OG-N 2.97Å
890	I	90	Very high	91	Very high	46 Å²	46	64.8 Å²	64.8	24%	0.236	35%	0.354	C	S	.	.			trans	-94.5	113.4	-178.4	-61	170.9	0	0	0	108.5	E884 S887 L893 R906	E884-I890 HydrophobicContact CB-CD1 4.05Å; E884-I890 HydrophobicContact CG-CD1 4.17Å; S887-I890 PolarHBondContact O-N 3.26Å; S887-I890 VanDerWaalsContact O-N 3.16Å; I890-L893 HydrophobicContact CG2-CB 4.03Å; I890-R906 PolarHBondContact O-NH1 2.96Å
891	N	92	Very high	91.3	Very high	81 Å²	81	64.8 Å²	64.8	43%	0.433	34%	0.342	S	S	.	.			trans	-117.5	8.7	179.7	-76	-70.4	0	0	0	113.4	K888 W901 T902 Y903	K888-N891 PolarHBondContact O-ND2 3.12Å; N891-W901 CarbonylContact C-O 3.33Å; N891-W901 CarbonylContact O-C 3.47Å; N891-T902 VanDerWaalsContact O-CA 3.32Å; N891-T902 WeakPolarHBondContact O-CA 3.36Å; N891-T902 PolarHBondContact O-N 3.12Å; N891-Y903 PolarHBondContact OD1-N 2.9Å; N891-Y903 VanDerWaalsContact OD1-N 3.12Å
892	D	92.2	Very high	91.4	Very high	98 Å²	98	67.1 Å²	67.1	52%	0.524	36%	0.356	S	S	.	.			trans	-133.6	33.4	-172.1	54.5	-20.7	0	0	0	110.5	A894 E900	D892-A894 PolarHBondContact O-N 3.22Å; D892-A894 VanDerWaalsContact O-N 3.1Å; D892-E900 HydrophobicContact CB-CB 4.46Å; D892-E900 HydrophobicContact CB-CG 4.32Å
893	L	92.3	Very high	91.5	Very high	5 Å²	5	69 Å²	69	3%	0.026	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	113.7	-177.8	-179.1	59.8	0	0	0	110.2	I881 E884 W885 I890 W901	I881-L893 HydrophobicContact CD1-CD1 4.45Å; I881-L893 HydrophobicContact CD1-CD2 4.09Å; I881-L893 HydrophobicContact CG1-CD1 4.46Å; I881-L893 HydrophobicContact CG1-CD2 4.27Å; E884-L893 HydrophobicContact CB-CD1 3.78Å; E884-L893 HydrophobicContact CG-CD1 4.5Å; E884-L893 WeakPolarHBondContact OE2-CD1 3.4Å; W885-L893 HydrophobicContact CE3-CD2 3.88Å; I890-L893 HydrophobicContact CG2-CB 4.03Å; L893-W901 PolarHBondContact N-O 3.23Å; L893-W901 PolarHBondContact O-N 2.88Å
894	A	92.5	Very high	91.7	Very high	44 Å²	44	67.2 Å²	67.2	36%	0.364	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	126	179.1	0	0	0	0	0	112.2	D892 Q899	D892-A894 PolarHBondContact O-N 3.22Å; D892-A894 VanDerWaalsContact O-N 3.1Å; A894-Q899 CarbonylContact C-O 3.33Å; A894-Q899 VanDerWaalsContact CA-O 3.31Å; A894-Q899 WeakPolarHBondContact CA-O 3.43Å
895	D	93.1	Very high	91.8	Very high	8 Å²	8	68.1 Å²	68.1	4%	0.043	37%	0.37	C	S	.	.			trans	-79.3	-176.7	170.3	76.1	9.4	0	0	0	112	G872 F873 Y897 G898 Q899 W901	G872-D895 WeakPolarHBondContact O-CB 3.31Å; F873-D895 HydrophobicContact CD1-CB 4.13Å; F873-D895 HydrophobicContact CD2-CB 4.36Å; F873-D895 HydrophobicContact CE1-CB 3.77Å; F873-D895 HydrophobicContact CE2-CB 4.02Å; F873-D895 HydrophobicContact CG-CB 4.41Å; F873-D895 HydrophobicContact CZ-CB 3.72Å; D895-Y897 PolarHBondContact O-N 3.33Å; D895-Y897 VanDerWaalsContact OD1-C 3.29Å; D895-Y897 VanDerWaalsContact OD1-CA 3.29Å; D895-Y897 WeakPolarHBondContact OD1-CA 3.41Å; D895-Y897 WeakPolarHBondContact OD1-CB 3.25Å; D895-Y897 PolarHBondContact OD1-N 2.94Å; D895-G898 PolarHBondContact O-N 3.09Å; D895-G898 VanDerWaalsContact O-N 3.13Å; D895-G898 PolarHBondContact OD1-N 3.38Å; D895-Q899 PolarHBondContact N-O 2.74Å; D895-Q899 PolarHBondContact OD1-N 2.97Å; D895-Q899 WeakPolarHBondContact OD2-CB 3.31Å; D895-Q899 PolarHBondContact OD2-NE2 2.93Å; D895-W901 PolarHBondContact OD2-NE1 2.88Å
896	S	93.9	Very high	91.9	Very high	38 Å²	38	68.1 Å²	68.1	27%	0.266	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-15.8	179.1	-53	0	0	0	0	113.8	G872 W874 R877	G872-S896 WeakPolarHBondContact O-CA 3.46Å; G872-S896 WeakPolarHBondContact O-CB 3.49Å; G872-S896 PolarHBondContact O-N 3.09Å; G872-S896 PolarHBondContact O-OG 3.47Å; W874-S896 PolarHBondContact N-OG 3.25Å; R877-S896 WeakPolarHBondContact CB-OG 3.18Å
897	Y	93	Very high	92.1	Very high	145 Å²	145	66.8 Å²	66.8	57%	0.569	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-2.8	172	-65	-65.8	0	0	0	112.7	G872 W874 D895	G872-Y897 VanDerWaalsContact CA-CD2 3.46Å; W874-Y897 HydrophobicContact CZ2-CE1 4.22Å; W874-Y897 AromaticContact NE1-CZ 3.83Å; D895-Y897 PolarHBondContact O-N 3.33Å; D895-Y897 VanDerWaalsContact OD1-C 3.29Å; D895-Y897 VanDerWaalsContact OD1-CA 3.29Å; D895-Y897 WeakPolarHBondContact OD1-CA 3.41Å; D895-Y897 WeakPolarHBondContact OD1-CB 3.25Å; D895-Y897 PolarHBondContact OD1-N 2.94Å
898	G	90.8	Very high	92.3	Very high	56 Å²	56	72.4 Å²	72.4	58%	0.577	38%	0.377	S	S	*	.			trans	80.8	15.7	-177.4	0	0	0	0	0	114.4	D895	D895-G898 PolarHBondContact O-N 3.09Å; D895-G898 VanDerWaalsContact O-N 3.13Å; D895-G898 PolarHBondContact OD1-N 3.38Å
899	Q	93.6	Very high	92.7	Very high	107 Å²	107	66.8 Å²	66.8	50%	0.5	35%	0.353	S	S	.	.			trans	-81.6	142.3	173.7	-54.9	172.2	99	0	0	110.2	A894 D895	A894-Q899 CarbonylContact C-O 3.33Å; A894-Q899 VanDerWaalsContact CA-O 3.31Å; A894-Q899 WeakPolarHBondContact CA-O 3.43Å; D895-Q899 PolarHBondContact N-O 2.74Å; D895-Q899 PolarHBondContact OD1-N 2.97Å; D895-Q899 WeakPolarHBondContact OD2-CB 3.31Å; D895-Q899 PolarHBondContact OD2-NE2 2.93Å
900	E	93.9	Very high	93	Very high	142 Å²	142	63 Å²	63	66%	0.664	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.5	179.4	-69.5	175.2	-179.9	0	0	111.2	D892	D892-E900 HydrophobicContact CB-CB 4.46Å; D892-E900 HydrophobicContact CB-CG 4.32Å
901	W	95.4	Very high	93.1	Very high	42 Å²	42	62.9 Å²	62.9	16%	0.159	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.5	-179.6	-72.2	72	0	0	0	111.9	N871 F873 N891 L893 D895 Q905 L909	N871-W901 HydrophobicContact CB-CH2 4.29Å; N871-W901 WeakPolarHBondContact O-CZ2 3.5Å; F873-W901 AromaticContact CE2-CD2 3.91Å; F873-W901 HydrophobicContact CE2-CD2 3.91Å; F873-W901 AromaticContact CE2-CE2 3.79Å; F873-W901 HydrophobicContact CE2-CE3 4.43Å; F873-W901 HydrophobicContact CE2-CG 4.13Å; F873-W901 HydrophobicContact CE2-CZ2 4.26Å; F873-W901 AromaticContact CE2-NE1 3.85Å; F873-W901 HydrophobicContact CZ-CB 4.43Å; F873-W901 AromaticContact CZ-CD1 3.77Å; F873-W901 HydrophobicContact CZ-CD2 4.15Å; F873-W901 AromaticContact CZ-CG 3.88Å; F873-W901 HydrophobicContact CZ-CG 3.88Å; F873-W901 AromaticContact CZ-NE1 4Å; N891-W901 CarbonylContact C-O 3.33Å; N891-W901 CarbonylContact O-C 3.47Å; L893-W901 PolarHBondContact N-O 3.23Å; L893-W901 PolarHBondContact O-N 2.88Å; D895-W901 PolarHBondContact OD2-NE1 2.88Å; W901-Q905 HydrophobicContact CE3-CB 3.65Å; W901-Q905 HydrophobicContact CZ3-CB 4.13Å; W901-L909 HydrophobicContact CH2-CD2 4.13Å; W901-L909 HydrophobicContact CZ3-CB 4.3Å; W901-L909 HydrophobicContact CZ3-CD2 4.1Å
902	T	95.1	Very high	93.2	Very high	49 Å²	49	59.7 Å²	59.7	30%	0.301	30%	0.3	S	S	.	.			trans	-70.6	159.5	171.1	63.4	0	0	0	0	112	N891 N904 Q905 R906	N891-T902 VanDerWaalsContact O-CA 3.32Å; N891-T902 WeakPolarHBondContact O-CA 3.36Å; N891-T902 PolarHBondContact O-N 3.12Å; T902-N904 PolarHBondContact O-N 3.04Å; T902-Q905 PolarHBondContact O-N 2.73Å; T902-Q905 VanDerWaalsContact O-N 3.13Å; T902-Q905 WeakPolarHBondContact OG1-CB 3.32Å; T902-Q905 VanDerWaalsContact OG1-CG 3.22Å; T902-Q905 WeakPolarHBondContact OG1-CG 3.5Å; T902-Q905 PolarHBondContact OG1-N 2.97Å; T902-Q905 PolarHBondContact OG1-OE1 2.83Å; T902-R906 WeakPolarHBondContact O-CG 3.38Å; T902-R906 PolarHBondContact O-N 3.36Å; T902-R906 VanDerWaalsContact O-N 3.08Å
903	Y	92.1	Very high	93.4	Very high	50 Å²	50	55 Å²	55	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-52.4	-42.8	176.1	178.6	-93.4	0	0	0	112.7	K888 N891 R906 K907	K888-Y903 HydrophobicContact CB-CD2 4.34Å; K888-Y903 HydrophobicContact CB-CE2 4.44Å; K888-Y903 HydrophobicContact CG-CD1 4.48Å; K888-Y903 HydrophobicContact CG-CD2 4Å; K888-Y903 HydrophobicContact CG-CE1 4.17Å; K888-Y903 HydrophobicContact CG-CE2 3.66Å; K888-Y903 HydrophobicContact CG-CG 4.42Å; N891-Y903 PolarHBondContact OD1-N 2.9Å; N891-Y903 VanDerWaalsContact OD1-N 3.12Å; Y903-R906 VanDerWaalsContact CD2-NH2 3.3Å; Y903-R906 VanDerWaalsContact O-CG 3.23Å; Y903-R906 WeakPolarHBondContact O-CG 3.33Å; Y903-K907 HydrophobicContact CD1-CG 4.24Å; Y903-K907 HydrophobicContact CD2-CG 4.44Å; Y903-K907 HydrophobicContact CE1-CG 3.77Å; Y903-K907 HydrophobicContact CE2-CG 3.99Å; Y903-K907 WeakPolarHBondContact O-CB 3.19Å; Y903-K907 WeakPolarHBondContact O-CG 3.18Å; Y903-K907 PolarHBondContact O-N 3.17Å
904	N	90.7	Very high	93.4	Very high	123 Å²	123	55.2 Å²	55.2	66%	0.658	28%	0.276	S	S	*	.	H	α-helix	trans	-71	-38	-179.1	-71.9	-30.8	0	0	0	112.5	T902 R908	T902-N904 PolarHBondContact O-N 3.04Å; N904-R908 VanDerWaalsContact O-CB 3.3Å; N904-R908 WeakPolarHBondContact O-CB 3.3Å; N904-R908 PolarHBondContact O-N 2.67Å
905	Q	93.8	Very high	93.5	Very high	95 Å²	95	53.1 Å²	53.1	44%	0.444	26%	0.259	S	S	.	.	H	α-helix	trans	-65.9	-44.9	178.8	-74.4	164.3	-40	0	0	111.4	W901 T902 R908 L909	W901-Q905 HydrophobicContact CE3-CB 3.65Å; W901-Q905 HydrophobicContact CZ3-CB 4.13Å; T902-Q905 PolarHBondContact O-N 2.73Å; T902-Q905 VanDerWaalsContact O-N 3.13Å; T902-Q905 WeakPolarHBondContact OG1-CB 3.32Å; T902-Q905 VanDerWaalsContact OG1-CG 3.22Å; T902-Q905 WeakPolarHBondContact OG1-CG 3.5Å; T902-Q905 PolarHBondContact OG1-N 2.97Å; T902-Q905 PolarHBondContact OG1-OE1 2.83Å; Q905-R908 WeakPolarHBondContact O-CB 3.22Å; Q905-R908 PolarHBondContact O-N 3.18Å; Q905-L909 PolarHBondContact O-N 2.81Å; Q905-L909 VanDerWaalsContact O-N 3.07Å
906	R	94.3	Very high	93.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.8	-38.4	178.4	70.6	-172.7	-167.7	-171.2	8.6	112.5	E884 W885 S887 I890 T902 Y903 R908 L909 E910	E884-R906 PolarHBondContact O-NH1 3.36Å; E884-R906 PolarHBondContact O-NH2 3.44Å; W885-R906 HydrophobicContact CD2-CB 4.31Å; W885-R906 HydrophobicContact CD2-CG 4.48Å; W885-R906 HydrophobicContact CE3-CB 4.41Å; W885-R906 HydrophobicContact CH2-CB 3.94Å; W885-R906 HydrophobicContact CZ2-CB 3.79Å; W885-R906 VanDerWaalsContact CZ2-O 3.27Å; W885-R906 WeakPolarHBondContact CZ2-O 3.49Å; W885-R906 HydrophobicContact CZ3-CB 4.24Å; W885-R906 PolarHBondContact O-NE 2.96Å; W885-R906 PolarHBondContact O-NH2 2.96Å; S887-R906 VanDerWaalsContact C-NH2 3.27Å; S887-R906 PolarHBondContact O-NH2 3.45Å; I890-R906 PolarHBondContact O-NH1 2.96Å; T902-R906 WeakPolarHBondContact O-CG 3.38Å; T902-R906 PolarHBondContact O-N 3.36Å; T902-R906 VanDerWaalsContact O-N 3.08Å; Y903-R906 VanDerWaalsContact CD2-NH2 3.3Å; Y903-R906 VanDerWaalsContact O-CG 3.23Å; Y903-R906 WeakPolarHBondContact O-CG 3.33Å; R906-R908 VanDerWaalsContact C-N 3.32Å; R906-R908 PolarHBondContact O-N 3.35Å; R906-L909 CarbonylContact O-C 3.59Å; R906-L909 WeakPolarHBondContact O-CB 3.47Å; R906-L909 PolarHBondContact O-N 3.32Å; R906-L909 VanDerWaalsContact O-N 3.13Å; R906-E910 PolarHBondContact O-N 3.31Å
907	K	92.2	Very high	93.7	Very high	19 Å²	19	51 Å²	51	8%	0.083	24%	0.244	C	C	.	.	H	α-helix	trans	-66.4	-34.1	174.2	-73.4	-60.4	-178.7	-175.2	0	112.6	D886 Y903 L909 E910 Y911	D886-K907 IonicContact OD1-NZ 3.43Å; D886-K907 PolarHBondContact OD1-NZ 3.22Å; Y903-K907 HydrophobicContact CD1-CG 4.24Å; Y903-K907 HydrophobicContact CD2-CG 4.44Å; Y903-K907 HydrophobicContact CE1-CG 3.77Å; Y903-K907 HydrophobicContact CE2-CG 3.99Å; Y903-K907 WeakPolarHBondContact O-CB 3.19Å; Y903-K907 WeakPolarHBondContact O-CG 3.18Å; Y903-K907 PolarHBondContact O-N 3.17Å; K907-L909 VanDerWaalsContact C-N 3.33Å; K907-E910 VanDerWaalsContact CD-OE2 3.24Å; K907-E910 WeakPolarHBondContact CD-OE2 3.32Å; K907-E910 WeakPolarHBondContact CE-OE2 3.43Å; K907-E910 VanDerWaalsContact NZ-CD 3.32Å; K907-E910 IonicContact NZ-OE1 2.87Å; K907-E910 PolarHBondContact NZ-OE1 2.87Å; K907-E910 VanDerWaalsContact NZ-OE1 3.12Å; K907-E910 IonicContact NZ-OE2 2.96Å; K907-E910 PolarHBondContact NZ-OE2 2.92Å; K907-E910 PolarHBondContact O-N 3.32Å; K907-Y911 HydrophobicContact CB-CE2 4.44Å; K907-Y911 VanDerWaalsContact O-CD2 3.27Å; K907-Y911 WeakPolarHBondContact O-CD2 3.28Å; K907-Y911 PolarHBondContact O-N 3.11Å
908	R	93	Very high	93.8	Very high	158 Å²	158	44 Å²	44	60%	0.596	22%	0.217	S	C	*	.	H	α-helix	trans	-62.4	-41.4	170.3	-171.4	-179.1	178.1	175.4	2.2	111.8	N904 Q905 R906 T912 M976	N904-R908 VanDerWaalsContact O-CB 3.3Å; N904-R908 WeakPolarHBondContact O-CB 3.3Å; N904-R908 PolarHBondContact O-N 2.67Å; Q905-R908 WeakPolarHBondContact O-CB 3.22Å; Q905-R908 PolarHBondContact O-N 3.18Å; R906-R908 VanDerWaalsContact C-N 3.32Å; R906-R908 PolarHBondContact O-N 3.35Å; R908-T912 WeakPolarHBondContact O-CB 3.42Å; R908-T912 PolarHBondContact O-N 3.14Å; R908-T912 PolarHBondContact O-OG1 3.14Å; R908-M976 HydrophobicContact CG-CE 3.47Å; R908-M976 VanDerWaalsContact CG-CE 3.47Å; R908-M976 HydrophobicContact CG-SD 4.38Å; R908-M976 VanDerWaalsContact NE-CE 3.28Å
909	L	94	Very high	94	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-65.6	-42	174.8	179.1	58.7	0	0	0	111.8	I867 M868 N871 F873 W885 W901 Q905 R906 K907 T912 C913	I867-L909 HydrophobicContact CG2-CD1 3.99Å; M868-L909 HydrophobicContact SD-CD2 4.14Å; M868-L909 HydrophobicContact SD-CG 4.34Å; N871-L909 HydrophobicContact CB-CD1 3.78Å; N871-L909 HydrophobicContact CB-CD2 3.64Å; N871-L909 HydrophobicContact CB-CG 4.39Å; N871-L909 WeakPolarHBondContact ND2-CD1 3.28Å; F873-L909 HydrophobicContact CD2-CD2 3.89Å; F873-L909 HydrophobicContact CE2-CD2 4Å; W885-L909 HydrophobicContact CH2-CD2 4.15Å; W901-L909 HydrophobicContact CH2-CD2 4.13Å; W901-L909 HydrophobicContact CZ3-CB 4.3Å; W901-L909 HydrophobicContact CZ3-CD2 4.1Å; Q905-L909 PolarHBondContact O-N 2.81Å; Q905-L909 VanDerWaalsContact O-N 3.07Å; R906-L909 CarbonylContact O-C 3.59Å; R906-L909 WeakPolarHBondContact O-CB 3.47Å; R906-L909 PolarHBondContact O-N 3.32Å; R906-L909 VanDerWaalsContact O-N 3.13Å; K907-L909 VanDerWaalsContact C-N 3.33Å; L909-T912 CarbonylContact O-C 3.53Å; L909-T912 WeakPolarHBondContact O-CA 3.44Å; L909-T912 VanDerWaalsContact O-CB 3.3Å; L909-T912 WeakPolarHBondContact O-CB 3.39Å; L909-T912 PolarHBondContact O-N 3.34Å; L909-C913 PolarHBondContact O-N 3.37Å; L909-C913 PolarHBondContact O-SG 3.49Å
910	E	94.1	Very high	94.1	Very high	9 Å²	9	36.4 Å²	36.4	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-58.4	-48.8	174.4	-178	-177.9	136	0	0	112	W885 R906 K907 T912 C913 H914	W885-E910 VanDerWaalsContact CD1-OE2 3.28Å; W885-E910 HydrophobicContact CZ2-CB 4.21Å; W885-E910 PolarHBondContact NE1-OE2 3.13Å; R906-E910 PolarHBondContact O-N 3.31Å; K907-E910 VanDerWaalsContact CD-OE2 3.24Å; K907-E910 WeakPolarHBondContact CD-OE2 3.32Å; K907-E910 WeakPolarHBondContact CE-OE2 3.43Å; K907-E910 VanDerWaalsContact NZ-CD 3.32Å; K907-E910 IonicContact NZ-OE1 2.87Å; K907-E910 PolarHBondContact NZ-OE1 2.87Å; K907-E910 VanDerWaalsContact NZ-OE1 3.12Å; K907-E910 IonicContact NZ-OE2 2.96Å; K907-E910 PolarHBondContact NZ-OE2 2.92Å; K907-E910 PolarHBondContact O-N 3.32Å; E910-T912 PolarHBondContact O-N 3.49Å; E910-C913 CarbonylContact O-C 3.59Å; E910-C913 WeakPolarHBondContact O-CA 3.02Å; E910-C913 VanDerWaalsContact O-CB 3.26Å; E910-C913 WeakPolarHBondContact O-CB 3.42Å; E910-C913 PolarHBondContact O-N 3.38Å; E910-H914 PolarHBondContact O-CD2 2.98Å; E910-H914 PolarHBondContact O-N 3.05Å
911	Y	93.2	Very high	94.2	Very high	44 Å²	44	29.7 Å²	29.7	17%	0.173	14%	0.135	C	C	.	.	H	α-helix	trans	-65.1	-29.6	176.6	-60.6	-25.6	0	0	0	113	K907 H914 T915 R974	K907-Y911 HydrophobicContact CB-CE2 4.44Å; K907-Y911 VanDerWaalsContact O-CD2 3.27Å; K907-Y911 WeakPolarHBondContact O-CD2 3.28Å; K907-Y911 PolarHBondContact O-N 3.11Å; Y911-H914 AromaticContact CD1-ND1 3.87Å; Y911-H914 PolarHBondContact O-N 3.42Å; Y911-T915 PolarHBondContact O-N 3.05Å; Y911-T915 PolarHBondContact O-OG1 3.11Å; Y911-R974 HydrophobicContact CD1-CB 4.31Å; Y911-R974 HydrophobicContact CD2-CB 4.38Å; Y911-R974 HydrophobicContact CE2-CG 4.49Å; Y911-R974 HydrophobicContact CG-CB 4.2Å; Y911-R974 PolarHBondContact OH-NH1 3.34Å
912	T	94.5	Very high	94.2	Very high	13 Å²	13	27.7 Å²	27.7	8%	0.08	13%	0.128	C	C	.	.	H	α-helix	trans	-67.2	-39	170.6	-55.5	0	0	0	0	111.1	R908 L909 E910 T915 A916 M976 W982	R908-T912 WeakPolarHBondContact O-CB 3.42Å; R908-T912 PolarHBondContact O-N 3.14Å; R908-T912 PolarHBondContact O-OG1 3.14Å; L909-T912 CarbonylContact O-C 3.53Å; L909-T912 WeakPolarHBondContact O-CA 3.44Å; L909-T912 VanDerWaalsContact O-CB 3.3Å; L909-T912 WeakPolarHBondContact O-CB 3.39Å; L909-T912 PolarHBondContact O-N 3.34Å; E910-T912 PolarHBondContact O-N 3.49Å; T912-T915 PolarHBondContact O-N 2.97Å; T912-A916 WeakPolarHBondContact O-CB 3.32Å; T912-A916 PolarHBondContact O-N 2.87Å; T912-M976 WeakPolarHBondContact OG1-CB 3.48Å; T912-W982 HydrophobicContact CG2-CE3 4.01Å; T912-W982 HydrophobicContact CG2-CH2 4.03Å; T912-W982 HydrophobicContact CG2-CZ3 3.28Å
913	C	95	Very high	94.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.5	-42.7	172.4	-63.7	0	0	0	0	111.7	Y864 L909 E910 T915 A916 F917	Y864-C913 HydrophobicContact CD2-CB 3.91Å; Y864-C913 HydrophobicContact CE2-CB 4.29Å; L909-C913 PolarHBondContact O-N 3.37Å; L909-C913 PolarHBondContact O-SG 3.49Å; E910-C913 CarbonylContact O-C 3.59Å; E910-C913 WeakPolarHBondContact O-CA 3.02Å; E910-C913 VanDerWaalsContact O-CB 3.26Å; E910-C913 WeakPolarHBondContact O-CB 3.42Å; E910-C913 PolarHBondContact O-N 3.38Å; C913-T915 VanDerWaalsContact C-N 3.29Å; C913-T915 PolarHBondContact O-N 3.4Å; C913-A916 PolarHBondContact O-N 3.31Å; C913-F917 VanDerWaalsContact O-CB 3.32Å; C913-F917 WeakPolarHBondContact O-CB 3.48Å; C913-F917 PolarHBondContact O-N 2.93Å
914	H	94	Very high	94.4	Very high	10 Å²	10	23.1 Å²	23.1	5%	0.046	11%	0.105	C	C	.	.	H	α-helix	trans	-56.3	-44.9	174.4	-64.4	179.3	0	0	0	111.6	L795 P796 T801 E910 Y911 F917 F918	L795-H914 PolarHBondContact O-CD2 2.92Å; L795-H914 VanDerWaalsContact O-CD2 3.26Å; L795-H914 PolarHBondContact O-NE2 3.32Å; P796-H914 WeakPolarHBondContact O-CA 3.39Å; P796-H914 PolarHBondContact O-CD2 3.32Å; T801-H914 HydrophobicContact CG2-CB 4.05Å; E910-H914 PolarHBondContact O-CD2 2.98Å; E910-H914 PolarHBondContact O-N 3.05Å; Y911-H914 AromaticContact CD1-ND1 3.87Å; Y911-H914 PolarHBondContact O-N 3.42Å; H914-F917 PolarHBondContact O-N 3.27Å; H914-F918 VanDerWaalsContact O-CB 3.28Å; H914-F918 WeakPolarHBondContact O-CB 3.33Å; H914-F918 PolarHBondContact O-N 3.34Å
915	T	94.8	Very high	94.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67.8	-39.8	-178.7	-48.5	0	0	0	0	111.6	Y911 T912 C913 F918 A919 S964 M975 M976 M978	Y911-T915 PolarHBondContact O-N 3.05Å; Y911-T915 PolarHBondContact O-OG1 3.11Å; T912-T915 PolarHBondContact O-N 2.97Å; C913-T915 VanDerWaalsContact C-N 3.29Å; C913-T915 PolarHBondContact O-N 3.4Å; T915-F918 WeakPolarHBondContact O-CB 3.31Å; T915-F918 PolarHBondContact O-N 3.47Å; T915-A919 WeakPolarHBondContact O-CB 3.48Å; T915-A919 PolarHBondContact O-N 3.39Å; T915-S964 WeakPolarHBondContact CG2-OG 3.28Å; T915-M975 HydrophobicContact CG2-CB 4.27Å; T915-M975 HydrophobicContact CG2-CG 4.48Å; T915-M975 HydrophobicContact CG2-SD 4.49Å; T915-M975 WeakPolarHBondContact OG1-CA 3.49Å; T915-M976 WeakPolarHBondContact CG2-O 3.46Å; T915-M976 PolarHBondContact OG1-N 3.11Å; T915-M978 HydrophobicContact CG2-SD 4.23Å
916	A	95	Very high	94.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-73.6	-35	178.1	0	0	0	0	0	113.1	V863 I867 T912 C913 A919 S920 M978	V863-A916 HydrophobicContact CG1-CB 3.76Å; I867-A916 HydrophobicContact CD1-CB 3.05Å; T912-A916 WeakPolarHBondContact O-CB 3.32Å; T912-A916 PolarHBondContact O-N 2.87Å; C913-A916 PolarHBondContact O-N 3.31Å; A916-A919 PolarHBondContact O-N 2.9Å; A916-S920 WeakPolarHBondContact O-CB 3.45Å; A916-S920 PolarHBondContact O-N 3.09Å; A916-M978 HydrophobicContact CB-CE 3.96Å; A916-M978 HydrophobicContact CB-SD 4.39Å
917	F	95.5	Very high	94.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.4	-46	171.7	-160.3	-64.2	0	0	0	109.8	P780 P784 P796 L797 G860 F861 C913 H914 A919 S920 I921	P780-F917 HydrophobicContact CB-CE1 4.18Å; P780-F917 WeakPolarHBondContact O-CE1 3.34Å; P784-F917 HydrophobicContact CG-CE1 4.05Å; P784-F917 HydrophobicContact CG-CE2 4.12Å; P784-F917 HydrophobicContact CG-CZ 3.67Å; P796-F917 HydrophobicContact CB-CD2 3.82Å; P796-F917 HydrophobicContact CB-CE2 3.9Å; L797-F917 HydrophobicContact CB-CD1 4.21Å; L797-F917 HydrophobicContact CB-CG 4.33Å; L797-F917 HydrophobicContact CD1-CB 4.07Å; L797-F917 HydrophobicContact CD1-CD1 3.98Å; L797-F917 HydrophobicContact CD1-CG 4.29Å; L797-F917 HydrophobicContact CD2-CD1 4.21Å; L797-F917 HydrophobicContact CD2-CE1 4.4Å; L797-F917 HydrophobicContact CG-CD1 4.37Å; G860-F917 VanDerWaalsContact C-CD2 3.46Å; G860-F917 VanDerWaalsContact O-CD2 3.28Å; G860-F917 WeakPolarHBondContact O-CD2 3.46Å; G860-F917 WeakPolarHBondContact O-CE2 3.32Å; F861-F917 HydrophobicContact CD1-CE2 4.41Å; F861-F917 HydrophobicContact CD2-CE2 4.48Å; F861-F917 HydrophobicContact CG-CE2 4.31Å; C913-F917 VanDerWaalsContact O-CB 3.32Å; C913-F917 WeakPolarHBondContact O-CB 3.48Å; C913-F917 PolarHBondContact O-N 2.93Å; H914-F917 PolarHBondContact O-N 3.27Å; F917-A919 PolarHBondContact O-N 3.42Å; F917-S920 WeakPolarHBondContact O-CA 3.22Å; F917-S920 VanDerWaalsContact O-CB 3.28Å; F917-S920 WeakPolarHBondContact O-CB 3.39Å; F917-S920 PolarHBondContact O-N 3.12Å; F917-S920 VanDerWaalsContact O-N 3.11Å; F917-I921 HydrophobicContact CD1-CD1 3.78Å; F917-I921 HydrophobicContact CD1-CG1 4.06Å; F917-I921 HydrophobicContact CE1-CD1 3.84Å; F917-I921 HydrophobicContact CE1-CG1 4.1Å; F917-I921 WeakPolarHBondContact O-CG1 3.47Å; F917-I921 PolarHBondContact O-N 3.48Å
918	F	95.1	Very high	94.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-54.3	-49.9	171.2	163.3	-97.2	0	0	0	112.4	L797 C804 I805 T809 H914 T915 S920 I921 V922 A960 L963 M975	L797-F918 HydrophobicContact CD1-CB 4.33Å; C804-F918 HydrophobicContact CB-CE2 4.1Å; I805-F918 HydrophobicContact CD1-CD2 3.95Å; I805-F918 HydrophobicContact CG1-CD2 3.47Å; I805-F918 VanDerWaalsContact CG1-CD2 3.47Å; I805-F918 HydrophobicContact CG1-CE2 3.67Å; T809-F918 HydrophobicContact CG2-CE2 4.02Å; T809-F918 HydrophobicContact CG2-CZ 3.69Å; H914-F918 VanDerWaalsContact O-CB 3.28Å; H914-F918 WeakPolarHBondContact O-CB 3.33Å; H914-F918 PolarHBondContact O-N 3.34Å; T915-F918 WeakPolarHBondContact O-CB 3.31Å; T915-F918 PolarHBondContact O-N 3.47Å; F918-S920 VanDerWaalsContact C-N 3.26Å; F918-S920 PolarHBondContact O-N 3.43Å; F918-I921 WeakPolarHBondContact O-CB 3.35Å; F918-I921 PolarHBondContact O-N 3.2Å; F918-I921 VanDerWaalsContact O-N 3.11Å; F918-V922 HydrophobicContact CE1-CG2 4.46Å; F918-V922 HydrophobicContact CE2-CG2 4.31Å; F918-V922 HydrophobicContact CZ-CG2 4.14Å; F918-V922 PolarHBondContact O-N 2.97Å; F918-V922 VanDerWaalsContact O-N 3.11Å; F918-A960 HydrophobicContact CE1-CB 3.83Å; F918-A960 HydrophobicContact CZ-CB 4.1Å; F918-L963 HydrophobicContact CZ-CD1 3.99Å; F918-M975 HydrophobicContact CB-CE 4.25Å; F918-M975 HydrophobicContact CD1-CE 3.61Å; F918-M975 HydrophobicContact CD1-SD 4.26Å; F918-M975 HydrophobicContact CD2-CE 3.8Å; F918-M975 HydrophobicContact CE1-CE 3.82Å; F918-M975 HydrophobicContact CE1-SD 4.25Å; F918-M975 HydrophobicContact CE2-CE 4.02Å; F918-M975 HydrophobicContact CG-CE 3.6Å; F918-M975 HydrophobicContact CZ-CE 4.03Å
919	A	94.7	Very high	95.1	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-62.5	-34.3	176.9	0	0	0	0	0	112.3	T915 A916 F917 V922 I923 M978 W983	T915-A919 WeakPolarHBondContact O-CB 3.48Å; T915-A919 PolarHBondContact O-N 3.39Å; A916-A919 PolarHBondContact O-N 2.9Å; F917-A919 PolarHBondContact O-N 3.42Å; A919-V922 PolarHBondContact O-N 3.15Å; A919-I923 WeakPolarHBondContact O-CD1 2.92Å; A919-I923 VanDerWaalsContact O-CG1 3.32Å; A919-I923 WeakPolarHBondContact O-CG1 3.39Å; A919-I923 PolarHBondContact O-N 3.11Å; A919-I923 VanDerWaalsContact O-N 3.09Å; A919-M978 HydrophobicContact CB-CE 3.9Å; A919-M978 HydrophobicContact CB-SD 3.74Å; A919-W983 HydrophobicContact CB-CD2 4.28Å; A919-W983 HydrophobicContact CB-CE3 4.13Å; A919-W983 HydrophobicContact CB-CH2 3.93Å; A919-W983 HydrophobicContact CB-CZ2 4.09Å; A919-W983 HydrophobicContact CB-CZ3 3.96Å
920	S	95.4	Very high	95.1	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.014	5%	0.045	C	C	.	.	H	α-helix	trans	-64.2	-39.5	173.5	-168.5	0	0	0	0	112.2	A916 F917 F918 I923 V924	A916-S920 WeakPolarHBondContact O-CB 3.45Å; A916-S920 PolarHBondContact O-N 3.09Å; F917-S920 WeakPolarHBondContact O-CA 3.22Å; F917-S920 VanDerWaalsContact O-CB 3.28Å; F917-S920 WeakPolarHBondContact O-CB 3.39Å; F917-S920 PolarHBondContact O-N 3.12Å; F917-S920 VanDerWaalsContact O-N 3.11Å; F918-S920 VanDerWaalsContact C-N 3.26Å; F918-S920 PolarHBondContact O-N 3.43Å; S920-I923 PolarHBondContact O-N 2.91Å; S920-V924 WeakPolarHBondContact O-CG2 3.33Å; S920-V924 PolarHBondContact O-N 3.34Å; S920-V924 VanDerWaalsContact O-N 3.14Å
921	I	95.6	Very high	95.1	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.005	4%	0.044	C	C	.	.	H	α-helix	trans	-61.8	-48.5	175.6	-66.8	171.2	0	0	0	109.6	P780 E781 L797 I805 F917 F918 I923 V924 Q925	P780-I921 HydrophobicContact CB-CD1 4.03Å; P780-I921 HydrophobicContact CB-CG1 3.99Å; P780-I921 HydrophobicContact CG-CD1 4.35Å; P780-I921 HydrophobicContact CG-CG1 4.26Å; E781-I921 HydrophobicContact CG-CD1 4.3Å; L797-I921 HydrophobicContact CD2-CD1 3.93Å; I805-I921 HydrophobicContact CD1-CB 4.26Å; I805-I921 HydrophobicContact CD1-CD1 3.47Å; I805-I921 VanDerWaalsContact CD1-CD1 3.47Å; I805-I921 HydrophobicContact CD1-CG1 4.46Å; I805-I921 HydrophobicContact CD1-CG2 4.1Å; I805-I921 HydrophobicContact CG2-CG2 4.3Å; F917-I921 HydrophobicContact CD1-CD1 3.78Å; F917-I921 HydrophobicContact CD1-CG1 4.06Å; F917-I921 HydrophobicContact CE1-CD1 3.84Å; F917-I921 HydrophobicContact CE1-CG1 4.1Å; F917-I921 WeakPolarHBondContact O-CG1 3.47Å; F917-I921 PolarHBondContact O-N 3.48Å; F918-I921 WeakPolarHBondContact O-CB 3.35Å; F918-I921 PolarHBondContact O-N 3.2Å; F918-I921 VanDerWaalsContact O-N 3.11Å; I921-I923 VanDerWaalsContact C-N 3.29Å; I921-I923 PolarHBondContact O-N 2.95Å; I921-V924 WeakPolarHBondContact O-CG2 3.36Å; I921-V924 PolarHBondContact O-N 2.8Å; I921-V924 VanDerWaalsContact O-N 3.17Å; I921-Q925 HydrophobicContact CG2-CG 4.01Å; I921-Q925 WeakPolarHBondContact O-CB 3.43Å; I921-Q925 VanDerWaalsContact O-CG 3.3Å; I921-Q925 WeakPolarHBondContact O-CG 3.26Å; I921-Q925 PolarHBondContact O-N 3.21Å
922	V	95.6	Very high	95.2	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.006	4%	0.037	C	C	.	.	H	α-helix	trans	-56.2	-42.5	177	171.2	0	0	0	0	112	T809 F918 A919 V924 Q925 W926 E956 A960	T809-V922 HydrophobicContact CG2-CG2 4.12Å; F918-V922 HydrophobicContact CE1-CG2 4.46Å; F918-V922 HydrophobicContact CE2-CG2 4.31Å; F918-V922 HydrophobicContact CZ-CG2 4.14Å; F918-V922 PolarHBondContact O-N 2.97Å; F918-V922 VanDerWaalsContact O-N 3.11Å; A919-V922 PolarHBondContact O-N 3.15Å; V922-V924 PolarHBondContact O-N 2.69Å; V922-Q925 PolarHBondContact O-N 2.95Å; V922-W926 PolarHBondContact O-N 3.14Å; V922-W926 VanDerWaalsContact O-N 3.11Å; V922-W926 PolarHBondContact O-NE1 2.83Å; V922-E956 HydrophobicContact CG1-CG 4.04Å; V922-A960 HydrophobicContact CB-CB 4.4Å; V922-A960 HydrophobicContact CG1-CB 4.04Å; V922-A960 HydrophobicContact CG2-CB 3.97Å
923	I	95.4	Very high	95.2	Very high	3 Å²	3	7.6 Å²	7.6	2%	0.015	4%	0.035	C	C	.	.	H	α-helix	trans	-64.4	-43.2	179	-69.5	162.4	0	0	0	112.2	A919 S920 I921 Q925 W926 W983 L987	A919-I923 WeakPolarHBondContact O-CD1 2.92Å; A919-I923 VanDerWaalsContact O-CG1 3.32Å; A919-I923 WeakPolarHBondContact O-CG1 3.39Å; A919-I923 PolarHBondContact O-N 3.11Å; A919-I923 VanDerWaalsContact O-N 3.09Å; S920-I923 PolarHBondContact O-N 2.91Å; I921-I923 VanDerWaalsContact C-N 3.29Å; I921-I923 PolarHBondContact O-N 2.95Å; I923-Q925 VanDerWaalsContact C-N 3.33Å; I923-W926 HydrophobicContact CG1-CH2 4.05Å; I923-W926 HydrophobicContact CG1-CZ2 4.31Å; I923-W926 HydrophobicContact CG1-CZ3 4.2Å; I923-W926 HydrophobicContact CG2-CE3 4.38Å; I923-W926 HydrophobicContact CG2-CZ3 4.43Å; I923-W926 WeakPolarHBondContact O-CB 3.46Å; I923-W926 PolarHBondContact O-N 3.45Å; I923-W983 HydrophobicContact CD1-CB 4.44Å; I923-W983 HydrophobicContact CD1-CE3 3.99Å; I923-W983 WeakPolarHBondContact CD1-O 3.5Å; I923-W983 HydrophobicContact CG1-CE3 4.3Å; I923-L987 HydrophobicContact CG2-CD2 3.69Å; I923-L987 HydrophobicContact CG2-CG 4.23Å
924	V	96.7	Very high	95.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-72.6	-30.1	178.4	-61.7	0	0	0	0	111.7	Q856 S920 I921 V922 W926 T927 D928 F989 I993	Q856-V924 HydrophobicContact CB-CB 4.48Å; Q856-V924 HydrophobicContact CB-CG2 3.74Å; Q856-V924 HydrophobicContact CG-CB 3.93Å; Q856-V924 HydrophobicContact CG-CG2 3.48Å; Q856-V924 VanDerWaalsContact CG-CG2 3.48Å; S920-V924 WeakPolarHBondContact O-CG2 3.33Å; S920-V924 PolarHBondContact O-N 3.34Å; S920-V924 VanDerWaalsContact O-N 3.14Å; I921-V924 WeakPolarHBondContact O-CG2 3.36Å; I921-V924 PolarHBondContact O-N 2.8Å; I921-V924 VanDerWaalsContact O-N 3.17Å; V922-V924 PolarHBondContact O-N 2.69Å; V924-W926 VanDerWaalsContact C-N 3.32Å; V924-W926 PolarHBondContact O-N 3.08Å; V924-T927 PolarHBondContact O-N 2.93Å; V924-D928 PolarHBondContact O-N 3.05Å; V924-F989 HydrophobicContact CG1-CB 4.19Å; V924-I993 HydrophobicContact CB-CD1 3.94Å; V924-I993 HydrophobicContact CG1-CD1 4.34Å
925	Q	96	Very high	95.2	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-65.8	-29	173.3	-75.5	-64.4	65.6	0	0	113.1	Y773 S777 D810 I921 V922 I923 T927 D928 L929 E956	Y773-Q925 HydrophobicContact CE2-CB 4.17Å; Y773-Q925 HydrophobicContact CE2-CG 4.45Å; S777-Q925 PolarHBondContact OG-NE2 2.93Å; D810-Q925 PolarHBondContact OD1-NE2 3.4Å; D810-Q925 PolarHBondContact OD2-NE2 3.37Å; I921-Q925 HydrophobicContact CG2-CG 4.01Å; I921-Q925 WeakPolarHBondContact O-CB 3.43Å; I921-Q925 VanDerWaalsContact O-CG 3.3Å; I921-Q925 WeakPolarHBondContact O-CG 3.26Å; I921-Q925 PolarHBondContact O-N 3.21Å; V922-Q925 PolarHBondContact O-N 2.95Å; I923-Q925 VanDerWaalsContact C-N 3.33Å; Q925-T927 PolarHBondContact O-N 3.06Å; Q925-D928 PolarHBondContact O-N 3.28Å; Q925-D928 VanDerWaalsContact O-N 3.17Å; Q925-D928 PolarHBondContact OE1-OD2 2.94Å; Q925-L929 WeakPolarHBondContact O-CB 3.28Å; Q925-L929 PolarHBondContact O-N 3.47Å; Q925-E956 WeakPolarHBondContact CB-OE1 3.33Å
926	W	94.9	Very high	95.1	Very high	61 Å²	61	11.2 Å²	11.2	23%	0.231	5%	0.048	C	C	.	.	H	α-helix	trans	-55.3	-43.5	171.4	-62.8	-14	0	0	0	112.2	V922 I923 V924 M930 L953 T957 L987	V922-W926 PolarHBondContact O-N 3.14Å; V922-W926 VanDerWaalsContact O-N 3.11Å; V922-W926 PolarHBondContact O-NE1 2.83Å; I923-W926 HydrophobicContact CG1-CH2 4.05Å; I923-W926 HydrophobicContact CG1-CZ2 4.31Å; I923-W926 HydrophobicContact CG1-CZ3 4.2Å; I923-W926 HydrophobicContact CG2-CE3 4.38Å; I923-W926 HydrophobicContact CG2-CZ3 4.43Å; I923-W926 WeakPolarHBondContact O-CB 3.46Å; I923-W926 PolarHBondContact O-N 3.45Å; V924-W926 VanDerWaalsContact C-N 3.32Å; V924-W926 PolarHBondContact O-N 3.08Å; W926-M930 WeakPolarHBondContact O-CG 3.4Å; W926-M930 PolarHBondContact O-N 3.32Å; W926-L953 HydrophobicContact CB-CD2 4Å; W926-L953 HydrophobicContact CG-CD2 4.2Å; W926-T957 VanDerWaalsContact CE2-OG1 3.26Å; W926-T957 HydrophobicContact CH2-CG2 4.43Å; W926-T957 HydrophobicContact CZ2-CG2 3.69Å; W926-T957 WeakPolarHBondContact CZ2-OG1 3.37Å; W926-T957 PolarHBondContact NE1-OG1 2.93Å; W926-L987 HydrophobicContact CZ3-CD2 4.37Å
927	T	94.8	Very high	95	Very high	9 Å²	9	12.8 Å²	12.8	6%	0.055	6%	0.057	C	C	.	.	H	α-helix	trans	-77.8	-38.3	178.4	-55.6	0	0	0	0	111.2	V924 Q925 L929 M930 I931 S990 I993 F994	V924-T927 PolarHBondContact O-N 2.93Å; Q925-T927 PolarHBondContact O-N 3.06Å; T927-L929 VanDerWaalsContact C-N 3.26Å; T927-L929 PolarHBondContact O-N 2.8Å; T927-M930 WeakPolarHBondContact O-CB 3.15Å; T927-M930 PolarHBondContact O-N 3.4Å; T927-M930 VanDerWaalsContact O-N 3.07Å; T927-I931 HydrophobicContact CG2-CG2 4.21Å; T927-I931 WeakPolarHBondContact O-CG1 3.33Å; T927-I931 PolarHBondContact O-N 3.44Å; T927-S990 WeakPolarHBondContact CG2-O 3.41Å; T927-S990 PolarHBondContact OG1-O 3.3Å; T927-S990 PolarHBondContact OG1-OG 3.11Å; T927-I993 HydrophobicContact CG2-CB 4.07Å; T927-I993 HydrophobicContact CG2-CG2 3.85Å; T927-F994 VanDerWaalsContact CG2-CA 3.48Å; T927-F994 HydrophobicContact CG2-CB 3.42Å; T927-F994 VanDerWaalsContact CG2-CB 3.42Å; T927-F994 HydrophobicContact CG2-CD2 4.15Å; T927-F994 HydrophobicContact CG2-CG 4.29Å; T927-F994 VanDerWaalsContact CG2-N 3.33Å
928	D	96.5	Very high	95	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-57.1	-42.4	175.7	-162.8	50.9	0	0	0	111.8	Y773 T776 I852 V924 Q925 M930 I931 C932	Y773-D928 WeakPolarHBondContact CA-OD2 3.39Å; Y773-D928 HydrophobicContact CD2-CB 4.2Å; Y773-D928 WeakPolarHBondContact CD2-OD2 3.49Å; Y773-D928 HydrophobicContact CE2-CB 4.36Å; T776-D928 WeakPolarHBondContact CB-OD2 3.3Å; T776-D928 PolarHBondContact OG1-OD2 2.87Å; I852-D928 WeakPolarHBondContact CG2-OD1 3.24Å; V924-D928 PolarHBondContact O-N 3.05Å; Q925-D928 PolarHBondContact O-N 3.28Å; Q925-D928 VanDerWaalsContact O-N 3.17Å; Q925-D928 PolarHBondContact OE1-OD2 2.94Å; D928-M930 PolarHBondContact O-N 3.39Å; D928-I931 WeakPolarHBondContact O-CG1 3.03Å; D928-I931 PolarHBondContact O-N 2.85Å; D928-C932 VanDerWaalsContact O-CB 3.23Å; D928-C932 WeakPolarHBondContact O-CB 3.23Å; D928-C932 PolarHBondContact O-N 3.38Å; D928-C932 PolarHBondContact O-SG 3.25Å; D928-C932 VanDerWaalsContact O-SG 3.38Å
929	L	95.4	Very high	94.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.1	-43.4	174.5	-173.5	65.1	0	0	0	112	Y773 P813 L817 Q925 T927 K933 L949 L953	Y773-L929 HydrophobicContact CD2-CB 4.15Å; Y773-L929 HydrophobicContact CD2-CD1 4.2Å; Y773-L929 HydrophobicContact CE2-CB 3.79Å; Y773-L929 HydrophobicContact CE2-CD1 4.18Å; P813-L929 HydrophobicContact CB-CD1 3.92Å; P813-L929 HydrophobicContact CB-CD2 3.88Å; P813-L929 HydrophobicContact CB-CG 4.45Å; L817-L929 HydrophobicContact CD1-CD1 3.86Å; L817-L929 HydrophobicContact CD2-CD1 4.01Å; L817-L929 HydrophobicContact CG-CD1 3.77Å; Q925-L929 WeakPolarHBondContact O-CB 3.28Å; Q925-L929 PolarHBondContact O-N 3.47Å; T927-L929 VanDerWaalsContact C-N 3.26Å; T927-L929 PolarHBondContact O-N 2.8Å; L929-K933 PolarHBondContact O-N 3.11Å; L929-K933 VanDerWaalsContact O-N 3.09Å; L929-L949 HydrophobicContact CD1-CD1 4.35Å; L929-L949 HydrophobicContact CD1-CG 4.3Å; L929-L949 HydrophobicContact CD2-CD2 3.79Å; L929-L949 HydrophobicContact CD2-CG 3.74Å; L929-L949 HydrophobicContact CG-CD1 4.13Å; L929-L949 HydrophobicContact CG-CD2 4.07Å; L929-L949 HydrophobicContact CG-CG 3.87Å; L929-L953 HydrophobicContact CB-CD2 4.32Å; L929-L953 HydrophobicContact CD2-CD1 4.48Å; L929-L953 HydrophobicContact CD2-CD2 3.49Å; L929-L953 VanDerWaalsContact CD2-CD2 3.49Å; L929-L953 HydrophobicContact CD2-CG 3.66Å; L929-L953 HydrophobicContact CG-CD2 4.48Å
930	M	94.4	Very high	94.7	Very high	54 Å²	54	21.4 Å²	21.4	27%	0.266	10%	0.096	S	C	.	.	H	α-helix	trans	-65.1	-37.4	177.7	-72.3	-178.2	-161.7	0	0	112.4	W926 T927 D928 K933 I939 M944 L953	W926-M930 WeakPolarHBondContact O-CG 3.4Å; W926-M930 PolarHBondContact O-N 3.32Å; T927-M930 WeakPolarHBondContact O-CB 3.15Å; T927-M930 PolarHBondContact O-N 3.4Å; T927-M930 VanDerWaalsContact O-N 3.07Å; D928-M930 PolarHBondContact O-N 3.39Å; M930-K933 VanDerWaalsContact O-CB 3.3Å; M930-K933 WeakPolarHBondContact O-CB 3.44Å; M930-I939 HydrophobicContact CB-CD1 3.82Å; M930-I939 HydrophobicContact CG-CD1 4.25Å; M930-M944 HydrophobicContact CE-CE 4.45Å; M930-M944 HydrophobicContact CG-CE 3.95Å; M930-L953 HydrophobicContact CE-CD1 3.79Å
931	I	94.7	Very high	94.4	Very high	7 Å²	7	27.1 Å²	27.1	4%	0.036	12%	0.122	C	C	.	.	H	α-helix	trans	-79.4	-37.7	178.5	63.8	155.5	0	0	0	111.5	I852 T927 D928 K933 T934 I993 F994 D997 K1001	I852-I931 HydrophobicContact CD1-CD1 4.03Å; I852-I931 HydrophobicContact CG1-CD1 4.12Å; I852-I931 HydrophobicContact CG2-CD1 4.27Å; T927-I931 HydrophobicContact CG2-CG2 4.21Å; T927-I931 WeakPolarHBondContact O-CG1 3.33Å; T927-I931 PolarHBondContact O-N 3.44Å; D928-I931 WeakPolarHBondContact O-CG1 3.03Å; D928-I931 PolarHBondContact O-N 2.85Å; I931-K933 PolarHBondContact O-N 3.38Å; I931-T934 PolarHBondContact O-N 2.82Å; I931-I993 HydrophobicContact CD1-CG2 3.57Å; I931-I993 HydrophobicContact CG1-CG2 4.23Å; I931-F994 HydrophobicContact CG2-CD2 4.45Å; I931-D997 HydrophobicContact CB-CB 3.96Å; I931-D997 WeakPolarHBondContact CB-OD2 3.27Å; I931-D997 HydrophobicContact CD1-CB 3.77Å; I931-D997 HydrophobicContact CG1-CB 4.48Å; I931-D997 HydrophobicContact CG2-CB 3.8Å; I931-K1001 PolarHBondContact O-NZ 2.71Å
932	C	95.2	Very high	94.1	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.027	13%	0.13	C	C	.	.	H	α-helix	trans	-68.1	-18.9	176.2	-75.1	0	0	0	0	112.6	K769 L817 D928 T934	K769-C932 VanDerWaalsContact CB-O 3.28Å; K769-C932 WeakPolarHBondContact CB-O 3.41Å; K769-C932 VanDerWaalsContact CD-O 3.31Å; K769-C932 WeakPolarHBondContact CD-O 3.38Å; K769-C932 WeakPolarHBondContact CG-O 3.26Å; L817-C932 HydrophobicContact CD1-CB 4.36Å; D928-C932 VanDerWaalsContact O-CB 3.23Å; D928-C932 WeakPolarHBondContact O-CB 3.23Å; D928-C932 PolarHBondContact O-N 3.38Å; D928-C932 PolarHBondContact O-SG 3.25Å; D928-C932 VanDerWaalsContact O-SG 3.38Å; C932-T934 PolarHBondContact O-N 3.4Å
933	K	94.8	Very high	93.9	Very high	7 Å²	7	29.5 Å²	29.5	3%	0.03	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-38.5	171.8	-174.9	173.2	168.1	54.7	0	113.4	K769 E820 L929 M930 I931 G943 M944 L949	K769-K933 WeakPolarHBondContact CD-O 3.18Å; K769-K933 WeakPolarHBondContact CE-O 3.32Å; K769-K933 PolarHBondContact NZ-O 3.42Å; E820-K933 VanDerWaalsContact CD-CG 3.48Å; E820-K933 HydrophobicContact CG-CG 4.34Å; E820-K933 IonicContact OE1-NZ 3.63Å; E820-K933 PolarHBondContact OE1-NZ 3.28Å; E820-K933 WeakPolarHBondContact OE2-CG 3.31Å; E820-K933 IonicContact OE2-NZ 2.73Å; E820-K933 PolarHBondContact OE2-NZ 3.04Å; L929-K933 PolarHBondContact O-N 3.11Å; L929-K933 VanDerWaalsContact O-N 3.09Å; M930-K933 VanDerWaalsContact O-CB 3.3Å; M930-K933 WeakPolarHBondContact O-CB 3.44Å; I931-K933 PolarHBondContact O-N 3.38Å; K933-G943 WeakPolarHBondContact CE-O 3.49Å; K933-M944 HydrophobicContact CD-SD 3.67Å; K933-L949 HydrophobicContact CB-CD1 4.31Å; K933-L949 HydrophobicContact CD-CD1 4.06Å; K933-L949 HydrophobicContact CG-CD1 4.21Å
934	T	94.7	Very high	93.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.152	C	C	.	.			trans	-126.7	140.9	179.9	61.3	0	0	0	0	111.3	E823 I931 C932 N937 Q942 K1001	E823-T934 WeakPolarHBondContact OE1-CA 3.3Å; I931-T934 PolarHBondContact O-N 2.82Å; C932-T934 PolarHBondContact O-N 3.4Å; T934-N937 WeakPolarHBondContact CB-O 3.26Å; T934-N937 HydrophobicContact CG2-CB 4.24Å; T934-N937 PolarHBondContact OG1-O 3.21Å; T934-Q942 HydrophobicContact CG2-CB 3.68Å; T934-Q942 HydrophobicContact CG2-CG 3.91Å; T934-K1001 WeakPolarHBondContact O-CE 3.14Å; T934-K1001 PolarHBondContact O-NZ 2.98Å; T934-K1001 WeakPolarHBondContact OG1-CE 3.31Å; T934-K1001 PolarHBondContact OG1-NZ 3.16Å
935	R	93.6	Very high	93.2	Very high	15 Å²	15	42 Å²	42	6%	0.057	19%	0.188	C	C	.	.	S	Bend	trans	-95	-35.9	175.4	-74.5	166.3	56.1	-147.4	1	112	D765 K769 E823 Y1018 Y1019	D765-R935 VanDerWaalsContact CG-NH1 3.25Å; D765-R935 IonicContact OD1-CZ 3.84Å; D765-R935 IonicContact OD1-NH1 2.83Å; D765-R935 PolarHBondContact OD1-NH1 3.28Å; K769-R935 HydrophobicContact CG-CG 4.17Å; E823-R935 VanDerWaalsContact CD-N 3.31Å; E823-R935 PolarHBondContact OE1-N 3.26Å; E823-R935 PolarHBondContact OE2-N 2.94Å; E823-R935 VanDerWaalsContact OE2-N 3.09Å; R935-Y1018 HydrophobicContact CB-CE2 3.93Å; R935-Y1019 HydrophobicContact CG-CD2 4.22Å; R935-Y1019 HydrophobicContact CG-CE2 3.61Å; R935-Y1019 PolarHBondContact NE-O 3.32Å; R935-Y1019 PolarHBondContact NH2-O 3.13Å; R935-Y1019 PolarHBondContact NH2-OXT 2.92Å
936	R	92.7	Very high	92.9	Very high	70 Å²	70	42.7 Å²	42.7	26%	0.264	19%	0.192	S	C	.	.	S	Bend	trans	-123	-41.5	-178.2	-170.5	179	-177	93.2	4	112.9	E823 L1004 R1005 E1014 Y1018	E823-R936 PolarHBondContact OE2-N 2.94Å; R936-L1004 PolarHBondContact NH2-O 3.35Å; R936-R1005 HydrophobicContact CG-CG 4.34Å; R936-R1005 PolarHBondContact O-NH1 3.32Å; R936-E1014 IonicContact NH1-OE1 2.84Å; R936-E1014 PolarHBondContact NH1-OE1 3.13Å; R936-Y1018 HydrophobicContact CB-CE2 3.88Å
937	N	93.5	Very high	92.8	Very high	33 Å²	33	46.9 Å²	46.9	18%	0.176	21%	0.214	C	C	.	.	S	Bend	trans	-72.1	154.6	-176.4	-74.8	-4.6	0	0	0	112	E823 T934 Q942	E823-N937 HydrophobicContact CG-CB 4.42Å; E823-N937 PolarHBondContact O-ND2 3.03Å; E823-N937 PolarHBondContact OE2-N 2.95Å; T934-N937 WeakPolarHBondContact CB-O 3.26Å; T934-N937 HydrophobicContact CG2-CB 4.24Å; T934-N937 PolarHBondContact OG1-O 3.21Å; N937-Q942 PolarHBondContact ND2-OE1 2.87Å
938	S	94.2	Very high	92.7	Very high	7 Å²	7	50.7 Å²	50.7	5%	0.049	23%	0.231	C	C	.	.			trans	-70.2	147.5	170.4	-174.7	0	0	0	0	109.7	F940 Q941 Q942 E998	S938-F940 PolarHBondContact O-N 3.26Å; S938-F940 WeakPolarHBondContact OG-CD2 3.38Å; S938-F940 PolarHBondContact OG-N 3.4Å; S938-Q941 VanDerWaalsContact N-OE1 3.14Å; S938-Q941 PolarHBondContact O-N 3.32Å; S938-Q942 PolarHBondContact O-N 3.37Å; S938-E998 WeakPolarHBondContact CA-OE1 3.42Å; S938-E998 WeakPolarHBondContact CB-OE1 3.27Å; S938-E998 PolarHBondContact OG-OE1 2.98Å; S938-E998 PolarHBondContact OG-OE2 3.37Å
939	I	91.9	Very high	92.6	Very high	14 Å²	14	50.7 Å²	50.7	7%	0.072	23%	0.231	C	C	.	.	H	α-helix	trans	-58.5	-30.9	168.3	-163.2	171	0	0	0	111.7	M930 Q941 G943 M944 F994 E998	M930-I939 HydrophobicContact CB-CD1 3.82Å; M930-I939 HydrophobicContact CG-CD1 4.25Å; I939-Q941 VanDerWaalsContact C-N 3.31Å; I939-Q941 PolarHBondContact O-N 3.33Å; I939-G943 WeakPolarHBondContact O-CA 3.22Å; I939-G943 PolarHBondContact O-N 3.03Å; I939-M944 HydrophobicContact CD1-CG 4.22Å; I939-M944 HydrophobicContact CD1-SD 3.8Å; I939-M944 HydrophobicContact CG1-CG 4.27Å; I939-M944 HydrophobicContact CG1-SD 4.11Å; I939-F994 HydrophobicContact CD1-CE2 4.1Å; I939-F994 HydrophobicContact CG2-CE2 3.91Å; I939-F994 HydrophobicContact CG2-CZ 3.82Å; I939-E998 PolarHBondContact N-OE2 2.92Å
940	F	91.6	Very high	92.5	Very high	160 Å²	160	52.9 Å²	52.9	70%	0.702	24%	0.244	S	C	*	.	H	α-helix	trans	-74	-21.4	176.9	-58.9	-70.1	0	0	0	113.2	S938 F994	S938-F940 PolarHBondContact O-N 3.26Å; S938-F940 WeakPolarHBondContact OG-CD2 3.38Å; S938-F940 PolarHBondContact OG-N 3.4Å; F940-F994 HydrophobicContact CE2-CZ 4.33Å; F940-F994 HydrophobicContact CZ-CE1 4.44Å; F940-F994 HydrophobicContact CZ-CZ 4.14Å
941	Q	90.8	Very high	92.5	Very high	122 Å²	122	56 Å²	56	57%	0.57	26%	0.257	S	S	*	.	H	α-helix	trans	-85.6	-43	175.4	-72.9	172.8	-31	0	0	111.3	S938 I939	S938-Q941 VanDerWaalsContact N-OE1 3.14Å; S938-Q941 PolarHBondContact O-N 3.32Å; I939-Q941 VanDerWaalsContact C-N 3.31Å; I939-Q941 PolarHBondContact O-N 3.33Å
942	Q	89.2	Confident	92.5	Very high	36 Å²	36	55.7 Å²	55.7	17%	0.168	26%	0.255	C	S	.	.	H	α-helix	trans	-78.3	-32.1	-179.2	-160.2	72.2	20.4	0	0	112.3	A822 T934 N937 S938	A822-Q942 PolarHBondContact O-NE2 3.4Å; T934-Q942 HydrophobicContact CG2-CB 3.68Å; T934-Q942 HydrophobicContact CG2-CG 3.91Å; N937-Q942 PolarHBondContact ND2-OE1 2.87Å; S938-Q942 PolarHBondContact O-N 3.37Å
943	G	90.8	Very high	92.4	Very high	16 Å²	16	56.6 Å²	56.6	17%	0.165	26%	0.259	C	S	.	.			trans	73.9	167.5	-174.9	0	0	0	0	0	113.6	K933 I939	K933-G943 WeakPolarHBondContact CE-O 3.49Å; I939-G943 WeakPolarHBondContact O-CA 3.22Å; I939-G943 PolarHBondContact O-N 3.03Å
944	M	89.4	Confident	92.4	Very high	66 Å²	66	63 Å²	63	33%	0.325	29%	0.288	S	S	.	.	S	Bend	trans	-102.5	44.9	-179.7	-72.6	-68.2	-74.8	0	0	112.2	M930 K933 I939 N946 L949 L953	M930-M944 HydrophobicContact CE-CE 4.45Å; M930-M944 HydrophobicContact CG-CE 3.95Å; K933-M944 HydrophobicContact CD-SD 3.67Å; I939-M944 HydrophobicContact CD1-CG 4.22Å; I939-M944 HydrophobicContact CD1-SD 3.8Å; I939-M944 HydrophobicContact CG1-CG 4.27Å; I939-M944 HydrophobicContact CG1-SD 4.11Å; M944-N946 VanDerWaalsContact C-N 3.34Å; M944-L949 HydrophobicContact CE-CD2 3.61Å; M944-L953 HydrophobicContact CE-CD1 4.41Å
945	W	88	Confident	92.4	Very high	200 Å²	200	66.3 Å²	66.3	76%	0.758	30%	0.302	S	S	*	.			trans	-81.1	-8.7	-176	-54.7	113.5	0	0	0	114.6	H947	W945-H947 PolarHBondContact O-N 3.35Å
946	N	90.4	Very high	92.5	Very high	15 Å²	15	65.6 Å²	65.6	8%	0.08	30%	0.3	C	S	.	.			trans	-72.6	95.6	177.3	-177.4	-8.8	0	0	0	110	S816 E820 M944 H948 L949 T950	S816-N946 PolarHBondContact O-ND2 3.17Å; E820-N946 VanDerWaalsContact OE1-CB 3.3Å; E820-N946 WeakPolarHBondContact OE1-CB 3.42Å; E820-N946 PolarHBondContact OE1-ND2 3.02Å; M944-N946 VanDerWaalsContact C-N 3.34Å; N946-H948 PolarHBondContact O-N 3.37Å; N946-H948 WeakPolarHBondContact OD1-CB 3.44Å; N946-H948 PolarHBondContact OD1-N 2.81Å; N946-L949 HydrophobicContact CB-CB 3.89Å; N946-L949 PolarHBondContact O-N 3.48Å; N946-L949 VanDerWaalsContact O-N 3.13Å; N946-L949 PolarHBondContact OD1-N 3.25Å; N946-L949 VanDerWaalsContact OD1-N 3.14Å; N946-T950 PolarHBondContact O-N 2.93Å; N946-T950 VanDerWaalsContact O-N 3.09Å; N946-T950 PolarHBondContact O-OG1 3.43Å
947	H	92.2	Very high	92.6	Very high	148 Å²	148	63.7 Å²	63.7	69%	0.685	30%	0.296	S	S	*	.	H	α-helix	trans	-59.6	-31.1	179.3	-64	-57.1	0	0	0	113.1	W945 F951	W945-H947 PolarHBondContact O-N 3.35Å; H947-F951 WeakPolarHBondContact O-CB 3.38Å; H947-F951 PolarHBondContact O-N 3.07Å
948	H	93.5	Very high	92.7	Very high	89 Å²	89	66.3 Å²	66.3	41%	0.412	31%	0.313	S	S	.	.	H	α-helix	trans	-70.2	-37	177.2	-62.6	-67.1	0	0	0	111.7	Y819 N946 F951 G952	Y819-H948 AromaticContact CD1-CD2 3.4Å; Y819-H948 VanDerWaalsContact CD1-CD2 3.4Å; Y819-H948 WeakPolarHBondContact CD1-CD2 3.23Å; Y819-H948 AromaticContact CD1-NE2 3.78Å; Y819-H948 HydrophobicContact CD2-CB 3.97Å; Y819-H948 AromaticContact CD2-CD2 3.74Å; Y819-H948 AromaticContact CD2-CG 3.9Å; Y819-H948 AromaticContact CE1-CD2 3.6Å; Y819-H948 AromaticContact CE1-NE2 3.53Å; Y819-H948 HydrophobicContact CE2-CB 4.38Å; Y819-H948 AromaticContact CE2-CD2 3.91Å; Y819-H948 AromaticContact CE2-CG 3.99Å; Y819-H948 HydrophobicContact CG-CB 4.3Å; Y819-H948 AromaticContact CG-CD2 3.46Å; Y819-H948 VanDerWaalsContact CG-CD2 3.46Å; Y819-H948 AromaticContact CZ-CD2 3.84Å; Y819-H948 AromaticContact CZ-NE2 3.79Å; N946-H948 PolarHBondContact O-N 3.37Å; N946-H948 WeakPolarHBondContact OD1-CB 3.44Å; N946-H948 PolarHBondContact OD1-N 2.81Å; H948-F951 PolarHBondContact O-N 3.49Å; H948-G952 PolarHBondContact O-N 3.46Å
949	L	94	Very high	92.7	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-67.9	-45.6	175.8	-174.1	158.6	0	0	0	111.2	S816 L817 L929 K933 M944 N946 F951 G952 L953	S816-L949 WeakPolarHBondContact OG-CA 3.42Å; L817-L949 HydrophobicContact CD2-CD1 4.08Å; L929-L949 HydrophobicContact CD1-CD1 4.35Å; L929-L949 HydrophobicContact CD1-CG 4.3Å; L929-L949 HydrophobicContact CD2-CD2 3.79Å; L929-L949 HydrophobicContact CD2-CG 3.74Å; L929-L949 HydrophobicContact CG-CD1 4.13Å; L929-L949 HydrophobicContact CG-CD2 4.07Å; L929-L949 HydrophobicContact CG-CG 3.87Å; K933-L949 HydrophobicContact CB-CD1 4.31Å; K933-L949 HydrophobicContact CD-CD1 4.06Å; K933-L949 HydrophobicContact CG-CD1 4.21Å; M944-L949 HydrophobicContact CE-CD2 3.61Å; N946-L949 HydrophobicContact CB-CB 3.89Å; N946-L949 PolarHBondContact O-N 3.48Å; N946-L949 VanDerWaalsContact O-N 3.13Å; N946-L949 PolarHBondContact OD1-N 3.25Å; N946-L949 VanDerWaalsContact OD1-N 3.14Å; L949-F951 VanDerWaalsContact C-N 3.3Å; L949-F951 PolarHBondContact O-N 2.8Å; L949-G952 WeakPolarHBondContact O-CA 3.34Å; L949-G952 PolarHBondContact O-N 2.87Å; L949-L953 HydrophobicContact CD2-CD1 4.04Å; L949-L953 HydrophobicContact CD2-CG 4.41Å; L949-L953 PolarHBondContact O-N 3.03Å
950	T	93.5	Very high	92.8	Very high	46 Å²	46	67.2 Å²	67.2	28%	0.282	32%	0.317	S	S	.	.	H	α-helix	trans	-60	-42.2	174.6	-57.3	0	0	0	0	111.3	N946 G952 L953 F954	N946-T950 PolarHBondContact O-N 2.93Å; N946-T950 VanDerWaalsContact O-N 3.09Å; N946-T950 PolarHBondContact O-OG1 3.43Å; T950-G952 VanDerWaalsContact C-N 3.33Å; T950-G952 PolarHBondContact O-N 3.48Å; T950-L953 PolarHBondContact O-N 3.43Å; T950-F954 HydrophobicContact CG2-CD2 4.03Å; T950-F954 HydrophobicContact CG2-CE2 3.74Å; T950-F954 WeakPolarHBondContact O-CD2 3.47Å; T950-F954 PolarHBondContact O-N 3.33Å
951	F	94.8	Very high	92.9	Very high	121 Å²	121	63.3 Å²	63.3	53%	0.531	30%	0.303	S	S	.	.	H	α-helix	trans	-61	-41.1	172.3	174.3	-98.8	0	0	0	112.2	I812 H947 H948 L949 L953 F954 F955	I812-F951 HydrophobicContact CG2-CD1 4.25Å; I812-F951 HydrophobicContact CG2-CE1 4.27Å; H947-F951 WeakPolarHBondContact O-CB 3.38Å; H947-F951 PolarHBondContact O-N 3.07Å; H948-F951 PolarHBondContact O-N 3.49Å; L949-F951 VanDerWaalsContact C-N 3.3Å; L949-F951 PolarHBondContact O-N 2.8Å; F951-L953 PolarHBondContact O-N 3.05Å; F951-F954 PolarHBondContact O-N 2.98Å; F951-F955 HydrophobicContact CE1-CB 4.34Å; F951-F955 HydrophobicContact CZ-CB 4.44Å; F951-F955 WeakPolarHBondContact O-CB 3.49Å; F951-F955 PolarHBondContact O-N 3.29Å
952	G	94	Very high	93.1	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-54.2	-49.8	174.6	0	0	0	0	0	112.4	H948 L949 T950 F954 F955 E956	H948-G952 PolarHBondContact O-N 3.46Å; L949-G952 WeakPolarHBondContact O-CA 3.34Å; L949-G952 PolarHBondContact O-N 2.87Å; T950-G952 VanDerWaalsContact C-N 3.33Å; T950-G952 PolarHBondContact O-N 3.48Å; G952-F954 PolarHBondContact O-N 2.99Å; G952-F955 PolarHBondContact O-N 3.37Å; G952-E956 VanDerWaalsContact O-CB 3.23Å; G952-E956 WeakPolarHBondContact O-CB 3.28Å; G952-E956 PolarHBondContact O-N 3.49Å
953	L	93.4	Very high	93.3	Very high	22 Å²	22	62 Å²	62	12%	0.115	30%	0.296	C	S	.	.	H	α-helix	trans	-58.4	-45.4	177.2	-69.5	171.6	0	0	0	112.8	W926 L929 M930 M944 L949 T950 F951 T957	W926-L953 HydrophobicContact CB-CD2 4Å; W926-L953 HydrophobicContact CG-CD2 4.2Å; L929-L953 HydrophobicContact CB-CD2 4.32Å; L929-L953 HydrophobicContact CD2-CD1 4.48Å; L929-L953 HydrophobicContact CD2-CD2 3.49Å; L929-L953 VanDerWaalsContact CD2-CD2 3.49Å; L929-L953 HydrophobicContact CD2-CG 3.66Å; L929-L953 HydrophobicContact CG-CD2 4.48Å; M930-L953 HydrophobicContact CE-CD1 3.79Å; M944-L953 HydrophobicContact CE-CD1 4.41Å; L949-L953 HydrophobicContact CD2-CD1 4.04Å; L949-L953 HydrophobicContact CD2-CG 4.41Å; L949-L953 PolarHBondContact O-N 3.03Å; T950-L953 PolarHBondContact O-N 3.43Å; F951-L953 PolarHBondContact O-N 3.05Å; L953-T957 WeakPolarHBondContact O-CB 3.27Å; L953-T957 PolarHBondContact O-N 3.48Å; L953-T957 VanDerWaalsContact O-N 3.12Å; L953-T957 PolarHBondContact O-OG1 3.1Å
954	F	94.8	Very high	93.4	Very high	142 Å²	142	61.4 Å²	61.4	62%	0.623	29%	0.289	S	S	*	.	H	α-helix	trans	-66.7	-41.7	178.2	-79.1	-68.2	0	0	0	111.9	T950 F951 G952 T958	T950-F954 HydrophobicContact CG2-CD2 4.03Å; T950-F954 HydrophobicContact CG2-CE2 3.74Å; T950-F954 WeakPolarHBondContact O-CD2 3.47Å; T950-F954 PolarHBondContact O-N 3.33Å; F951-F954 PolarHBondContact O-N 2.98Å; G952-F954 PolarHBondContact O-N 2.99Å; F954-T958 VanDerWaalsContact O-CB 3.27Å; F954-T958 WeakPolarHBondContact O-CB 3.49Å; F954-T958 PolarHBondContact O-N 3.06Å; F954-T958 PolarHBondContact O-OG1 2.77Å
955	F	94.7	Very high	93.6	Very high	70 Å²	70	62.5 Å²	62.5	31%	0.307	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-49.3	177.7	174.7	-91.6	0	0	0	111.3	I812 F951 G952 T957 T958 L959	I812-F955 HydrophobicContact CB-CD1 3.97Å; I812-F955 HydrophobicContact CB-CE1 4.33Å; I812-F955 HydrophobicContact CD1-CD1 3.47Å; I812-F955 VanDerWaalsContact CD1-CD1 3.47Å; I812-F955 HydrophobicContact CD1-CD2 3.96Å; I812-F955 HydrophobicContact CD1-CE1 3.37Å; I812-F955 HydrophobicContact CD1-CE2 3.87Å; I812-F955 HydrophobicContact CD1-CG 3.76Å; I812-F955 HydrophobicContact CD1-CZ 3.58Å; I812-F955 HydrophobicContact CG1-CD1 3.85Å; I812-F955 HydrophobicContact CG1-CE1 3.74Å; I812-F955 HydrophobicContact CG1-CZ 4.36Å; F951-F955 HydrophobicContact CE1-CB 4.34Å; F951-F955 HydrophobicContact CZ-CB 4.44Å; F951-F955 WeakPolarHBondContact O-CB 3.49Å; F951-F955 PolarHBondContact O-N 3.29Å; G952-F955 PolarHBondContact O-N 3.37Å; F955-T957 VanDerWaalsContact C-N 3.35Å; F955-T957 PolarHBondContact O-N 3.34Å; F955-T958 PolarHBondContact O-N 3.41Å; F955-L959 HydrophobicContact CE1-CB 4.45Å; F955-L959 HydrophobicContact CE1-CD2 3.89Å; F955-L959 HydrophobicContact CZ-CD2 4.17Å; F955-L959 WeakPolarHBondContact O-CB 3.43Å; F955-L959 PolarHBondContact O-N 3.17Å
956	E	95.3	Very high	93.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-54.6	-50.8	178.7	-170.5	-164.5	168.4	0	0	110.9	T809 P813 V922 Q925 G952 T958 L959 A960	T809-E956 HydrophobicContact CG2-CG 4.43Å; P813-E956 HydrophobicContact CG-CB 4.03Å; P813-E956 HydrophobicContact CG-CG 4.17Å; V922-E956 HydrophobicContact CG1-CG 4.04Å; Q925-E956 WeakPolarHBondContact CB-OE1 3.33Å; G952-E956 VanDerWaalsContact O-CB 3.23Å; G952-E956 WeakPolarHBondContact O-CB 3.28Å; G952-E956 PolarHBondContact O-N 3.49Å; E956-T958 PolarHBondContact O-N 2.87Å; E956-L959 PolarHBondContact O-N 3.43Å; E956-A960 WeakPolarHBondContact O-CB 3.33Å; E956-A960 PolarHBondContact O-N 2.96Å
957	T	94.1	Very high	93.8	Very high	30 Å²	30	60 Å²	60	18%	0.184	30%	0.3	C	S	.	.	H	α-helix	trans	-62.8	-44.3	178.1	-54.5	0	0	0	0	111.9	W926 L953 F955 L959 A960 I961	W926-T957 VanDerWaalsContact CE2-OG1 3.26Å; W926-T957 HydrophobicContact CH2-CG2 4.43Å; W926-T957 HydrophobicContact CZ2-CG2 3.69Å; W926-T957 WeakPolarHBondContact CZ2-OG1 3.37Å; W926-T957 PolarHBondContact NE1-OG1 2.93Å; L953-T957 WeakPolarHBondContact O-CB 3.27Å; L953-T957 PolarHBondContact O-N 3.48Å; L953-T957 VanDerWaalsContact O-N 3.12Å; L953-T957 PolarHBondContact O-OG1 3.1Å; F955-T957 VanDerWaalsContact C-N 3.35Å; F955-T957 PolarHBondContact O-N 3.34Å; T957-L959 VanDerWaalsContact C-N 3.33Å; T957-L959 PolarHBondContact O-N 3.49Å; T957-A960 PolarHBondContact O-N 3.36Å; T957-I961 HydrophobicContact CG2-CD1 3.95Å; T957-I961 VanDerWaalsContact O-CG1 3.28Å; T957-I961 WeakPolarHBondContact O-CG1 3.34Å; T957-I961 PolarHBondContact O-N 3.33Å
958	T	95.6	Very high	93.5	Very high	88 Å²	88	54.9 Å²	54.9	54%	0.54	29%	0.288	S	S	.	.	H	α-helix	trans	-65.8	-39.2	-179.7	-57.7	0	0	0	0	111	F954 F955 E956 I961 F962	F954-T958 VanDerWaalsContact O-CB 3.27Å; F954-T958 WeakPolarHBondContact O-CB 3.49Å; F954-T958 PolarHBondContact O-N 3.06Å; F954-T958 PolarHBondContact O-OG1 2.77Å; F955-T958 PolarHBondContact O-N 3.41Å; E956-T958 PolarHBondContact O-N 2.87Å; T958-I961 PolarHBondContact O-N 3.28Å; T958-F962 WeakPolarHBondContact O-CB 3.28Å; T958-F962 PolarHBondContact O-N 3.05Å
959	L	95.1	Very high	93.3	Very high	39 Å²	39	52.4 Å²	52.4	20%	0.204	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-44.6	175.8	-177.5	61.2	0	0	0	110.6	T809 F955 E956 T957 I961 F962 L963	T809-L959 HydrophobicContact CG2-CD2 4.07Å; T809-L959 HydrophobicContact CG2-CG 4.3Å; F955-L959 HydrophobicContact CE1-CB 4.45Å; F955-L959 HydrophobicContact CE1-CD2 3.89Å; F955-L959 HydrophobicContact CZ-CD2 4.17Å; F955-L959 WeakPolarHBondContact O-CB 3.43Å; F955-L959 PolarHBondContact O-N 3.17Å; E956-L959 PolarHBondContact O-N 3.43Å; T957-L959 VanDerWaalsContact C-N 3.33Å; T957-L959 PolarHBondContact O-N 3.49Å; L959-I961 VanDerWaalsContact C-N 3.34Å; L959-I961 PolarHBondContact O-N 3.22Å; L959-F962 WeakPolarHBondContact O-CB 3.48Å; L959-F962 PolarHBondContact O-N 3.35Å; L959-F962 VanDerWaalsContact O-N 3.17Å; L959-L963 HydrophobicContact CD1-CD1 4.3Å; L959-L963 HydrophobicContact CD1-CD2 4.5Å; L959-L963 HydrophobicContact CD1-CG 4.11Å; L959-L963 HydrophobicContact CG-CD1 4.06Å; L959-L963 HydrophobicContact CG-CG 4.28Å; L959-L963 WeakPolarHBondContact O-CB 3.38Å; L959-L963 VanDerWaalsContact O-CG 3.26Å; L959-L963 WeakPolarHBondContact O-CG 3.15Å; L959-L963 PolarHBondContact O-N 3.35Å
960	A	93.9	Very high	92.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.1	-41.9	176.8	0	0	0	0	0	112.4	F918 V922 E956 T957 L963 S964 W983	F918-A960 HydrophobicContact CE1-CB 3.83Å; F918-A960 HydrophobicContact CZ-CB 4.1Å; V922-A960 HydrophobicContact CB-CB 4.4Å; V922-A960 HydrophobicContact CG1-CB 4.04Å; V922-A960 HydrophobicContact CG2-CB 3.97Å; E956-A960 WeakPolarHBondContact O-CB 3.33Å; E956-A960 PolarHBondContact O-N 2.96Å; T957-A960 PolarHBondContact O-N 3.36Å; A960-L963 PolarHBondContact O-N 2.9Å; A960-S964 WeakPolarHBondContact O-CB 3.42Å; A960-S964 PolarHBondContact O-N 3.46Å; A960-S964 PolarHBondContact O-OG 2.83Å; A960-W983 HydrophobicContact CB-CH2 3.99Å
961	I	94.2	Very high	92.3	Very high	78 Å²	78	61.8 Å²	61.8	40%	0.4	32%	0.318	S	S	.	.	H	α-helix	trans	-62.4	-47	173	-70.5	167.9	0	0	0	110.2	T957 T958 L959 L963 S964 Y965 W983	T957-I961 HydrophobicContact CG2-CD1 3.95Å; T957-I961 VanDerWaalsContact O-CG1 3.28Å; T957-I961 WeakPolarHBondContact O-CG1 3.34Å; T957-I961 PolarHBondContact O-N 3.33Å; T958-I961 PolarHBondContact O-N 3.28Å; L959-I961 VanDerWaalsContact C-N 3.34Å; L959-I961 PolarHBondContact O-N 3.22Å; I961-L963 PolarHBondContact O-N 2.91Å; I961-S964 PolarHBondContact O-N 2.77Å; I961-Y965 HydrophobicContact CB-CD2 4.48Å; I961-Y965 HydrophobicContact CG2-CD2 3.89Å; I961-Y965 HydrophobicContact CG2-CE2 4.47Å; I961-Y965 WeakPolarHBondContact O-CB 3.33Å; I961-Y965 VanDerWaalsContact O-CD2 3.24Å; I961-Y965 WeakPolarHBondContact O-CD2 3.46Å; I961-Y965 PolarHBondContact O-N 2.69Å; I961-W983 HydrophobicContact CG1-CH2 4.04Å; I961-W983 HydrophobicContact CG1-CZ2 4.16Å
962	F	94.4	Very high	91.6	Very high	114 Å²	114	58.7 Å²	58.7	50%	0.5	32%	0.32	S	S	.	.	H	α-helix	trans	-59.6	-46.9	178.3	178.4	-97.6	0	0	0	111.5	T958 L959 S964 Y965 C966 L969	T958-F962 WeakPolarHBondContact O-CB 3.28Å; T958-F962 PolarHBondContact O-N 3.05Å; L959-F962 WeakPolarHBondContact O-CB 3.48Å; L959-F962 PolarHBondContact O-N 3.35Å; L959-F962 VanDerWaalsContact O-N 3.17Å; F962-S964 VanDerWaalsContact C-N 3.31Å; F962-S964 PolarHBondContact O-N 3.16Å; F962-Y965 PolarHBondContact O-N 2.96Å; F962-C966 HydrophobicContact CD2-CB 4.12Å; F962-C966 HydrophobicContact CE1-CB 4.37Å; F962-C966 HydrophobicContact CE2-CB 3.93Å; F962-C966 HydrophobicContact CG-CB 4.43Å; F962-C966 HydrophobicContact CZ-CB 4.06Å; F962-C966 WeakPolarHBondContact O-CB 3.46Å; F962-C966 PolarHBondContact O-N 2.62Å; F962-L969 HydrophobicContact CD1-CD1 4.43Å; F962-L969 HydrophobicContact CE1-CD1 4.24Å
963	L	93.2	Very high	91.1	Very high	18 Å²	18	60.9 Å²	60.9	9%	0.094	33%	0.332	C	S	.	.	H	α-helix	trans	-64.2	-35.2	179.7	-68.2	178.4	0	0	0	112.7	C804 F918 L959 A960 I961 L969 L973 M975	C804-L963 HydrophobicContact CB-CD1 4.21Å; F918-L963 HydrophobicContact CZ-CD1 3.99Å; L959-L963 HydrophobicContact CD1-CD1 4.3Å; L959-L963 HydrophobicContact CD1-CD2 4.5Å; L959-L963 HydrophobicContact CD1-CG 4.11Å; L959-L963 HydrophobicContact CG-CD1 4.06Å; L959-L963 HydrophobicContact CG-CG 4.28Å; L959-L963 WeakPolarHBondContact O-CB 3.38Å; L959-L963 VanDerWaalsContact O-CG 3.26Å; L959-L963 WeakPolarHBondContact O-CG 3.15Å; L959-L963 PolarHBondContact O-N 3.35Å; A960-L963 PolarHBondContact O-N 2.9Å; I961-L963 PolarHBondContact O-N 2.91Å; L963-L969 HydrophobicContact CD2-CD1 3.92Å; L963-L973 HydrophobicContact CD2-CD1 3.74Å; L963-M975 HydrophobicContact CB-SD 3.57Å; L963-M975 VanDerWaalsContact CB-SD 3.57Å; L963-M975 WeakPolarHBondContact O-CB 3.37Å
964	S	92.2	Very high	90.7	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.014	34%	0.339	C	S	.	.	H	α-helix	trans	-78.5	-32.9	-179.6	-56.7	0	0	0	0	113.8	T915 A960 I961 F962 M976 P977	T915-S964 WeakPolarHBondContact CG2-OG 3.28Å; A960-S964 WeakPolarHBondContact O-CB 3.42Å; A960-S964 PolarHBondContact O-N 3.46Å; A960-S964 PolarHBondContact O-OG 2.83Å; I961-S964 PolarHBondContact O-N 2.77Å; F962-S964 VanDerWaalsContact C-N 3.31Å; F962-S964 PolarHBondContact O-N 3.16Å; S964-M976 CarbonylContact O-C 3.6Å; S964-P977 VanDerWaalsContact O-CA 3.28Å; S964-P977 WeakPolarHBondContact O-CA 3.44Å
965	Y	93.6	Very high	90.5	Very high	89 Å²	89	56.5 Å²	56.5	35%	0.349	31%	0.31	S	S	.	.	H	α-helix	trans	-116.4	-9.4	-168.6	-63.6	-70.6	0	0	0	114.9	I961 F962 P967 P977 M978 W983	I961-Y965 HydrophobicContact CB-CD2 4.48Å; I961-Y965 HydrophobicContact CG2-CD2 3.89Å; I961-Y965 HydrophobicContact CG2-CE2 4.47Å; I961-Y965 WeakPolarHBondContact O-CB 3.33Å; I961-Y965 VanDerWaalsContact O-CD2 3.24Å; I961-Y965 WeakPolarHBondContact O-CD2 3.46Å; I961-Y965 PolarHBondContact O-N 2.69Å; F962-Y965 PolarHBondContact O-N 2.96Å; Y965-P967 WeakPolarHBondContact O-CD 3.2Å; Y965-P977 HydrophobicContact CD1-CB 3.94Å; Y965-P977 HydrophobicContact CE1-CB 4.24Å; Y965-M978 VanDerWaalsContact CE1-O 3.27Å; Y965-M978 WeakPolarHBondContact CE1-O 3.36Å; Y965-M978 PolarHBondContact OH-O 2.68Å; Y965-W983 HydrophobicContact CE2-CZ2 4.21Å; Y965-W983 AromaticContact CE2-NE1 3.97Å; Y965-W983 AromaticContact CZ-NE1 3.93Å; Y965-W983 PolarHBondContact OH-NE1 3.23Å
966	C	93.3	Very high	90.3	Very high	39 Å²	39	54 Å²	54	26%	0.264	30%	0.299	S	S	.	.	S	Bend	trans	-71	123.8	179.5	-172	0	0	0	0	111.2	F962 G968 L969	F962-C966 HydrophobicContact CD2-CB 4.12Å; F962-C966 HydrophobicContact CE1-CB 4.37Å; F962-C966 HydrophobicContact CE2-CB 3.93Å; F962-C966 HydrophobicContact CG-CB 4.43Å; F962-C966 HydrophobicContact CZ-CB 4.06Å; F962-C966 WeakPolarHBondContact O-CB 3.46Å; F962-C966 PolarHBondContact O-N 2.62Å; C966-G968 PolarHBondContact O-N 2.94Å; C966-L969 HydrophobicContact CB-CD1 3.67Å; C966-L969 HydrophobicContact CB-CG 4.04Å; C966-L969 PolarHBondContact O-N 3.38Å
967	P	89.1	Confident	90.1	Very high	123 Å²	123	57.7 Å²	57.7	80%	0.799	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	130.7	179.1	-24	33.8	0	0	0	112.5	Y965	Y965-P967 WeakPolarHBondContact O-CD 3.2Å
968	G	87.6	Confident	89.9	Confident	42 Å²	42	56.6 Å²	56.6	43%	0.433	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.2	-19.7	178.9	0	0	0	0	0	114.5	C966 D970 K971 G972	C966-G968 PolarHBondContact O-N 2.94Å; G968-D970 VanDerWaalsContact C-OD1 3.24Å; G968-D970 WeakPolarHBondContact CA-OD1 3.15Å; G968-D970 PolarHBondContact N-OD1 3.36Å; G968-D970 VanDerWaalsContact N-OD1 3.11Å; G968-D970 PolarHBondContact O-N 3.1Å; G968-K971 PolarHBondContact O-N 3.17Å; G968-G972 PolarHBondContact O-N 2.67Å
969	L	88.4	Confident	89.6	Confident	36 Å²	36	59.6 Å²	59.6	19%	0.188	32%	0.317	C	S	.	.	H	α-helix	trans	-71.2	-18.4	174	-63.9	-173.7	0	0	0	112.8	F962 L963 C966 K971 G972 L973 R974 M975	F962-L969 HydrophobicContact CD1-CD1 4.43Å; F962-L969 HydrophobicContact CE1-CD1 4.24Å; L963-L969 HydrophobicContact CD2-CD1 3.92Å; C966-L969 HydrophobicContact CB-CD1 3.67Å; C966-L969 HydrophobicContact CB-CG 4.04Å; C966-L969 PolarHBondContact O-N 3.38Å; L969-K971 PolarHBondContact O-N 2.79Å; L969-G972 PolarHBondContact O-N 2.7Å; L969-L973 HydrophobicContact CD2-CD1 4.06Å; L969-L973 HydrophobicContact CD2-CG 4.42Å; L969-L973 CarbonylContact O-C 3.59Å; L969-L973 WeakPolarHBondContact O-CA 3.24Å; L969-L973 PolarHBondContact O-N 3.12Å; L969-R974 PolarHBondContact O-N 2.8Å; L969-M975 PolarHBondContact O-N 2.66Å
970	D	85.8	Confident	89.3	Confident	65 Å²	65	65 Å²	65	35%	0.348	34%	0.339	S	S	.	.	H	α-helix	trans	-60.8	-29.1	169	64	-50.7	0	0	0	112.6	G968 R974 M975 M976	G968-D970 VanDerWaalsContact C-OD1 3.24Å; G968-D970 WeakPolarHBondContact CA-OD1 3.15Å; G968-D970 PolarHBondContact N-OD1 3.36Å; G968-D970 VanDerWaalsContact N-OD1 3.11Å; G968-D970 PolarHBondContact O-N 3.1Å; D970-R974 WeakPolarHBondContact O-CA 3.27Å; D970-M975 WeakPolarHBondContact CA-O 3.41Å; D970-M975 WeakPolarHBondContact CB-O 3.39Å; D970-M975 PolarHBondContact N-O 2.85Å; D970-M976 HydrophobicContact CB-SD 3.92Å
971	K	81.5	Confident	89.3	Confident	179 Å²	179	68.6 Å²	68.6	78%	0.778	36%	0.362	S	S	*	.	H	α-helix	trans	-92.7	-40.7	175.7	-64.1	-177.4	-177.4	177.6	0	112.8	G968 L969	G968-K971 PolarHBondContact O-N 3.17Å; L969-K971 PolarHBondContact O-N 2.79Å
972	G	79.4	Confident	89.2	Confident	57 Å²	57	65.6 Å²	65.6	59%	0.588	35%	0.345	S	S	*	.	H	α-helix	trans	-77.2	-52.2	-175.5	0	0	0	0	0	113.5	G968 L969	G968-G972 PolarHBondContact O-N 2.67Å; L969-G972 PolarHBondContact O-N 2.7Å
973	L	84.2	Confident	89.1	Confident	46 Å²	46	61.3 Å²	61.3	24%	0.241	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-3.7	-175.9	-62.7	176.9	0	0	0	113.2	I800 L963 L969 M975	I800-L973 HydrophobicContact CG2-CB 4.24Å; I800-L973 HydrophobicContact CG2-CD2 3.78Å; L963-L973 HydrophobicContact CD2-CD1 3.74Å; L969-L973 HydrophobicContact CD2-CD1 4.06Å; L969-L973 HydrophobicContact CD2-CG 4.42Å; L969-L973 CarbonylContact O-C 3.59Å; L969-L973 WeakPolarHBondContact O-CA 3.24Å; L969-L973 PolarHBondContact O-N 3.12Å; L973-M975 HydrophobicContact CB-CG 4.3Å; L973-M975 PolarHBondContact O-N 3.33Å
974	R	85.5	Confident	89.1	Confident	70 Å²	70	64.5 Å²	64.5	26%	0.264	34%	0.342	S	S	.	.			trans	58.8	31.9	-173.3	-58.7	179.1	170.2	178.2	-1.3	113.4	D124 Y911 L969 D970	D124-R974 IonicContact OD1-CZ 2.67Å; D124-R974 IonicContact OD1-NH1 3.12Å; D124-R974 IonicContact OD1-NH2 2.7Å; D124-R974 PolarHBondContact OD1-NH2 2.91Å; D124-R974 IonicContact OD2-CZ 3.34Å; D124-R974 IonicContact OD2-NH1 3.65Å; D124-R974 PolarHBondContact OD2-NH1 3.31Å; D124-R974 IonicContact OD2-NH2 2.62Å; D124-R974 PolarHBondContact OD2-NH2 2.85Å; Y911-R974 HydrophobicContact CD1-CB 4.31Å; Y911-R974 HydrophobicContact CD2-CB 4.38Å; Y911-R974 HydrophobicContact CE2-CG 4.49Å; Y911-R974 HydrophobicContact CG-CB 4.2Å; Y911-R974 PolarHBondContact OH-NH1 3.34Å; L969-R974 PolarHBondContact O-N 2.8Å; D970-R974 WeakPolarHBondContact O-CA 3.27Å
975	M	89.2	Confident	89.1	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.01	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-93.2	122.9	174.1	-72.3	-157.3	166.5	0	0	110.9	T801 C804 T915 F918 L963 L969 D970 L973	T801-M975 HydrophobicContact CG2-CE 3.64Å; T801-M975 HydrophobicContact CG2-CG 4.42Å; C804-M975 HydrophobicContact CB-CE 4.06Å; T915-M975 HydrophobicContact CG2-CB 4.27Å; T915-M975 HydrophobicContact CG2-CG 4.48Å; T915-M975 HydrophobicContact CG2-SD 4.49Å; T915-M975 WeakPolarHBondContact OG1-CA 3.49Å; F918-M975 HydrophobicContact CB-CE 4.25Å; F918-M975 HydrophobicContact CD1-CE 3.61Å; F918-M975 HydrophobicContact CD1-SD 4.26Å; F918-M975 HydrophobicContact CD2-CE 3.8Å; F918-M975 HydrophobicContact CE1-CE 3.82Å; F918-M975 HydrophobicContact CE1-SD 4.25Å; F918-M975 HydrophobicContact CE2-CE 4.02Å; F918-M975 HydrophobicContact CG-CE 3.6Å; F918-M975 HydrophobicContact CZ-CE 4.03Å; L963-M975 HydrophobicContact CB-SD 3.57Å; L963-M975 VanDerWaalsContact CB-SD 3.57Å; L963-M975 WeakPolarHBondContact O-CB 3.37Å; L969-M975 PolarHBondContact O-N 2.66Å; D970-M975 WeakPolarHBondContact CA-O 3.41Å; D970-M975 WeakPolarHBondContact CB-O 3.39Å; D970-M975 PolarHBondContact N-O 2.85Å; L973-M975 HydrophobicContact CB-CG 4.3Å; L973-M975 PolarHBondContact O-N 3.33Å
976	M	91	Very high	89	Confident	17 Å²	17	61.1 Å²	61.1	8%	0.084	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-103.2	141.7	-174.7	-64.2	-64.8	-57.9	0	0	110.6	R908 T912 T915 S964 D970 M978	R908-M976 HydrophobicContact CG-CE 3.47Å; R908-M976 VanDerWaalsContact CG-CE 3.47Å; R908-M976 HydrophobicContact CG-SD 4.38Å; R908-M976 VanDerWaalsContact NE-CE 3.28Å; T912-M976 WeakPolarHBondContact OG1-CB 3.48Å; T915-M976 WeakPolarHBondContact CG2-O 3.46Å; T915-M976 PolarHBondContact OG1-N 3.11Å; S964-M976 CarbonylContact O-C 3.6Å; D970-M976 HydrophobicContact CB-SD 3.92Å; M976-M978 PolarHBondContact O-N 2.78Å
977	P	91.5	Very high	89	Confident	77 Å²	77	62.6 Å²	62.6	50%	0.5	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-62.4	124.8	174.3	25.9	-34.4	0	0	0	110.6	S964 Y965	S964-P977 VanDerWaalsContact O-CA 3.28Å; S964-P977 WeakPolarHBondContact O-CA 3.44Å; Y965-P977 HydrophobicContact CD1-CB 3.94Å; Y965-P977 HydrophobicContact CE1-CB 4.24Å
978	M	88.8	Confident	89.4	Confident	8 Å²	8	60.6 Å²	60.6	4%	0.039	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-101.4	152.2	-178.2	51	-173.7	-68.5	0	0	112.2	T915 A916 A919 Y965 M976 W982 W983	T915-M978 HydrophobicContact CG2-SD 4.23Å; A916-M978 HydrophobicContact CB-CE 3.96Å; A916-M978 HydrophobicContact CB-SD 4.39Å; A919-M978 HydrophobicContact CB-CE 3.9Å; A919-M978 HydrophobicContact CB-SD 3.74Å; Y965-M978 VanDerWaalsContact CE1-O 3.27Å; Y965-M978 WeakPolarHBondContact CE1-O 3.36Å; Y965-M978 PolarHBondContact OH-O 2.68Å; M976-M978 PolarHBondContact O-N 2.78Å; M978-W982 HydrophobicContact CB-CE3 3.72Å; M978-W982 HydrophobicContact CB-CZ3 4.32Å; M978-W982 HydrophobicContact CE-CB 3.73Å; M978-W983 HydrophobicContact CE-CD2 4.29Å; M978-W983 HydrophobicContact CE-CG 3.98Å; M978-W983 HydrophobicContact SD-CZ2 4.24Å
979	R	90	Very high	89.8	Confident	151 Å²	151	60.5 Å²	60.5	57%	0.57	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-64.7	142.4	172.1	-64.6	-178.1	177.8	177.1	0.8	109.4	T981 W982	R979-T981 PolarHBondContact O-N 3.37Å; R979-T981 VanDerWaalsContact O-N 3.15Å; R979-W982 HydrophobicContact CB-CD2 3.92Å; R979-W982 HydrophobicContact CB-CE3 4.15Å; R979-W982 HydrophobicContact CB-CG 4.26Å; R979-W982 HydrophobicContact CB-CZ3 4.47Å; R979-W982 HydrophobicContact CG-CD2 4.38Å; R979-W982 HydrophobicContact CG-CE3 4.41Å; R979-W982 HydrophobicContact CG-CH2 4.13Å; R979-W982 HydrophobicContact CG-CZ2 4.14Å; R979-W982 HydrophobicContact CG-CZ3 4.23Å; R979-W982 WeakPolarHBondContact O-CB 3.3Å; R979-W982 PolarHBondContact O-N 3.32Å
980	F	89.6	Confident	90.1	Very high	152 Å²	152	59.3 Å²	59.3	67%	0.667	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-54.8	-35	176.9	176.2	-102.8	0	0	0	112.4	W982 W983	F980-W982 PolarHBondContact O-N 3.04Å; F980-W982 VanDerWaalsContact O-N 3.14Å; F980-W983 WeakPolarHBondContact O-CB 3.46Å; F980-W983 PolarHBondContact O-N 3.33Å; F980-W983 VanDerWaalsContact O-N 3.1Å
981	T	92.5	Very high	90.6	Very high	76 Å²	76	63 Å²	63	47%	0.466	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-59.2	-24.6	177	51.1	0	0	0	0	113.6	R979 W983 L984 P985	R979-T981 PolarHBondContact O-N 3.37Å; R979-T981 VanDerWaalsContact O-N 3.15Å; T981-W983 VanDerWaalsContact C-N 3.33Å; T981-L984 PolarHBondContact O-N 2.98Å; T981-P985 WeakPolarHBondContact O-CD 3.32Å
982	W	92.8	Very high	91.3	Very high	15 Å²	15	58.7 Å²	58.7	6%	0.057	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-82.6	-6.4	180	-60.5	-21.5	0	0	0	114	I867 E870 T912 M978 R979 F980 P985	I867-W982 HydrophobicContact CD1-CB 4.11Å; I867-W982 HydrophobicContact CD1-CD2 3.9Å; I867-W982 HydrophobicContact CD1-CE3 4.05Å; I867-W982 HydrophobicContact CD1-CG 3.94Å; I867-W982 HydrophobicContact CG1-CB 4.43Å; I867-W982 HydrophobicContact CG1-CD2 3.79Å; I867-W982 HydrophobicContact CG1-CE3 4.32Å; I867-W982 HydrophobicContact CG1-CG 3.83Å; I867-W982 HydrophobicContact CG2-CH2 4.37Å; I867-W982 HydrophobicContact CG2-CZ2 4.3Å; E870-W982 PolarHBondContact OE2-NE1 2.88Å; T912-W982 HydrophobicContact CG2-CE3 4.01Å; T912-W982 HydrophobicContact CG2-CH2 4.03Å; T912-W982 HydrophobicContact CG2-CZ3 3.28Å; M978-W982 HydrophobicContact CB-CE3 3.72Å; M978-W982 HydrophobicContact CB-CZ3 4.32Å; M978-W982 HydrophobicContact CE-CB 3.73Å; R979-W982 HydrophobicContact CB-CD2 3.92Å; R979-W982 HydrophobicContact CB-CE3 4.15Å; R979-W982 HydrophobicContact CB-CG 4.26Å; R979-W982 HydrophobicContact CB-CZ3 4.47Å; R979-W982 HydrophobicContact CG-CD2 4.38Å; R979-W982 HydrophobicContact CG-CE3 4.41Å; R979-W982 HydrophobicContact CG-CH2 4.13Å; R979-W982 HydrophobicContact CG-CZ2 4.14Å; R979-W982 HydrophobicContact CG-CZ3 4.23Å; R979-W982 WeakPolarHBondContact O-CB 3.3Å; R979-W982 PolarHBondContact O-N 3.32Å; F980-W982 PolarHBondContact O-N 3.04Å; F980-W982 VanDerWaalsContact O-N 3.14Å; W982-P985 WeakPolarHBondContact O-CD 3.38Å
983	W	92.5	Very high	92.1	Very high	24 Å²	24	56 Å²	56	9%	0.091	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-77.2	-27.9	167.1	-72.8	79.8	0	0	0	111.7	A919 I923 A960 I961 Y965 M978 F980 T981	A919-W983 HydrophobicContact CB-CD2 4.28Å; A919-W983 HydrophobicContact CB-CE3 4.13Å; A919-W983 HydrophobicContact CB-CH2 3.93Å; A919-W983 HydrophobicContact CB-CZ2 4.09Å; A919-W983 HydrophobicContact CB-CZ3 3.96Å; I923-W983 HydrophobicContact CD1-CB 4.44Å; I923-W983 HydrophobicContact CD1-CE3 3.99Å; I923-W983 WeakPolarHBondContact CD1-O 3.5Å; I923-W983 HydrophobicContact CG1-CE3 4.3Å; A960-W983 HydrophobicContact CB-CH2 3.99Å; I961-W983 HydrophobicContact CG1-CH2 4.04Å; I961-W983 HydrophobicContact CG1-CZ2 4.16Å; Y965-W983 HydrophobicContact CE2-CZ2 4.21Å; Y965-W983 AromaticContact CE2-NE1 3.97Å; Y965-W983 AromaticContact CZ-NE1 3.93Å; Y965-W983 PolarHBondContact OH-NE1 3.23Å; M978-W983 HydrophobicContact CE-CD2 4.29Å; M978-W983 HydrophobicContact CE-CG 3.98Å; M978-W983 HydrophobicContact SD-CZ2 4.24Å; F980-W983 WeakPolarHBondContact O-CB 3.46Å; F980-W983 PolarHBondContact O-N 3.33Å; F980-W983 VanDerWaalsContact O-N 3.1Å; T981-W983 VanDerWaalsContact C-N 3.33Å
984	L	93.9	Very high	92.6	Very high	84 Å²	84	56 Å²	56	44%	0.44	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-72.4	-33.9	-172.9	-57	178.2	0	0	0	116.2	T981 G986 L987	T981-L984 PolarHBondContact O-N 2.98Å; L984-G986 PolarHBondContact O-N 2.88Å; L984-G986 VanDerWaalsContact O-N 3.15Å; L984-L987 HydrophobicContact CD2-CD1 3.71Å; L984-L987 WeakPolarHBondContact O-CB 3.49Å; L984-L987 PolarHBondContact O-N 3.18Å; L984-L987 VanDerWaalsContact O-N 3.08Å
985	P	92	Very high	93.1	Very high	21 Å²	21	55.3 Å²	55.3	14%	0.136	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-68.5	-16.8	-171	-14.6	27.4	0	0	0	114.3	F862 V863 V866 T981 W982 P988	F862-P985 HydrophobicContact CD1-CB 3.89Å; F862-P985 HydrophobicContact CE1-CB 3.77Å; V863-P985 HydrophobicContact CG2-CB 3.85Å; V863-P985 HydrophobicContact CG2-CG 4.41Å; V866-P985 HydrophobicContact CG1-CG 4.46Å; T981-P985 WeakPolarHBondContact O-CD 3.32Å; W982-P985 WeakPolarHBondContact O-CD 3.38Å; P985-P988 WeakPolarHBondContact O-CD 3.35Å
986	G	90.8	Very high	93.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-78.6	-22.7	173.2	0	0	0	0	0	114.3	L984 F989 S990	L984-G986 PolarHBondContact O-N 2.88Å; L984-G986 VanDerWaalsContact O-N 3.15Å; G986-F989 PolarHBondContact O-N 3.3Å; G986-F989 VanDerWaalsContact O-N 3.16Å; G986-S990 PolarHBondContact O-N 2.9Å
987	L	94.2	Very high	93.7	Very high	70 Å²	70	59 Å²	59	37%	0.366	29%	0.292	S	S	.	.	H	α-helix	trans	-59.4	-39.8	-175.5	-70.5	169.9	0	0	0	114.9	I923 W926 L984 F989 S990 F991	I923-L987 HydrophobicContact CG2-CD2 3.69Å; I923-L987 HydrophobicContact CG2-CG 4.23Å; W926-L987 HydrophobicContact CZ3-CD2 4.37Å; L984-L987 HydrophobicContact CD2-CD1 3.71Å; L984-L987 WeakPolarHBondContact O-CB 3.49Å; L984-L987 PolarHBondContact O-N 3.18Å; L984-L987 VanDerWaalsContact O-N 3.08Å; L987-F989 VanDerWaalsContact C-N 3.26Å; L987-F989 PolarHBondContact O-N 2.83Å; L987-S990 WeakPolarHBondContact O-CB 3.14Å; L987-S990 PolarHBondContact O-N 3.4Å; L987-F991 PolarHBondContact O-N 3Å
988	P	95.7	Very high	93.9	Very high	80 Å²	80	56.6 Å²	56.6	52%	0.519	27%	0.274	S	S	.	.	H	α-helix	trans	-60.5	-35.2	177	-24.7	35.5	0	0	0	113.1	P985 L992	P985-P988 WeakPolarHBondContact O-CD 3.35Å; P988-L992 WeakPolarHBondContact O-CB 3.28Å; P988-L992 PolarHBondContact O-N 3.46Å
989	F	96.3	Very high	94.2	Very high	40 Å²	40	59.8 Å²	59.8	18%	0.175	29%	0.294	C	S	.	.	H	α-helix	trans	-72.9	-39.9	177.6	-66.3	-92	0	0	0	111.3	I855 G859 F862 V924 G986 L987 L992 I993	I855-F989 HydrophobicContact CG2-CB 4.38Å; I855-F989 HydrophobicContact CG2-CD1 4.19Å; G859-F989 VanDerWaalsContact CA-CG 3.47Å; F862-F989 HydrophobicContact CB-CE2 3.7Å; F862-F989 HydrophobicContact CB-CZ 3.83Å; F862-F989 AromaticContact CD1-CE2 3.68Å; F862-F989 HydrophobicContact CD1-CE2 3.68Å; F862-F989 HydrophobicContact CD1-CZ 4.43Å; F862-F989 HydrophobicContact CE1-CE2 4.45Å; F862-F989 AromaticContact CG-CE2 3.75Å; F862-F989 HydrophobicContact CG-CE2 3.75Å; F862-F989 HydrophobicContact CG-CZ 4.06Å; V924-F989 HydrophobicContact CG1-CB 4.19Å; G986-F989 PolarHBondContact O-N 3.3Å; G986-F989 VanDerWaalsContact O-N 3.16Å; L987-F989 VanDerWaalsContact C-N 3.26Å; L987-F989 PolarHBondContact O-N 2.83Å; F989-L992 WeakPolarHBondContact O-CB 3Å; F989-L992 PolarHBondContact O-N 2.91Å; F989-I993 WeakPolarHBondContact O-CG1 3.24Å; F989-I993 PolarHBondContact O-N 3.06Å
990	S	95	Very high	94.4	Very high	12 Å²	12	53 Å²	53	8%	0.084	27%	0.268	C	S	.	.	H	α-helix	trans	-56	-50.3	169.8	152	0	0	0	0	111.1	T927 G986 L987 L992 I993 F994	T927-S990 WeakPolarHBondContact CG2-O 3.41Å; T927-S990 PolarHBondContact OG1-O 3.3Å; T927-S990 PolarHBondContact OG1-OG 3.11Å; G986-S990 PolarHBondContact O-N 2.9Å; L987-S990 WeakPolarHBondContact O-CB 3.14Å; L987-S990 PolarHBondContact O-N 3.4Å; S990-L992 VanDerWaalsContact C-N 3.31Å; S990-L992 PolarHBondContact O-N 3.24Å; S990-I993 PolarHBondContact O-N 3.23Å; S990-F994 PolarHBondContact O-N 2.82Å
991	F	95.6	Very high	94.7	Very high	141 Å²	141	45.8 Å²	45.8	62%	0.618	24%	0.236	S	C	*	.	H	α-helix	trans	-61.9	-37.6	176.9	-176.9	-102.9	0	0	0	112.9	L987 F994 V995	L987-F991 PolarHBondContact O-N 3Å; F991-F994 WeakPolarHBondContact O-CB 3.47Å; F991-F994 PolarHBondContact O-N 3.49Å; F991-V995 HydrophobicContact CD1-CG2 4.13Å; F991-V995 HydrophobicContact CE1-CG2 3.65Å; F991-V995 HydrophobicContact CE2-CG2 4.07Å; F991-V995 HydrophobicContact CZ-CG2 3.62Å; F991-V995 WeakPolarHBondContact O-CG2 3.49Å; F991-V995 PolarHBondContact O-N 3.38Å; F991-V995 VanDerWaalsContact O-N 3.08Å
992	L	96.3	Very high	94.7	Very high	90 Å²	90	46.4 Å²	46.4	47%	0.471	23%	0.233	S	C	.	.	H	α-helix	trans	-61.9	-43.5	176.3	180	62.5	0	0	0	112	I855 P988 F989 S990 F994 V995 Y996	I855-L992 HydrophobicContact CG2-CD2 4.05Å; I855-L992 HydrophobicContact CG2-CG 4.47Å; P988-L992 WeakPolarHBondContact O-CB 3.28Å; P988-L992 PolarHBondContact O-N 3.46Å; F989-L992 WeakPolarHBondContact O-CB 3Å; F989-L992 PolarHBondContact O-N 2.91Å; S990-L992 VanDerWaalsContact C-N 3.31Å; S990-L992 PolarHBondContact O-N 3.24Å; L992-F994 VanDerWaalsContact C-N 3.31Å; L992-F994 PolarHBondContact O-N 3.05Å; L992-V995 PolarHBondContact O-N 3.25Å; L992-Y996 WeakPolarHBondContact O-CB 3.42Å; L992-Y996 PolarHBondContact O-N 3.17Å
993	I	96.3	Very high	94.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-45.9	175.8	-69.4	168	0	0	0	110.4	I852 I855 Q856 V924 T927 I931 F989 S990 Y996 D997	I852-I993 HydrophobicContact CD1-CG2 4.4Å; I852-I993 HydrophobicContact CG2-CD1 4.12Å; I852-I993 HydrophobicContact CG2-CG1 4.2Å; I852-I993 HydrophobicContact CG2-CG2 3.82Å; I855-I993 HydrophobicContact CB-CD1 4.39Å; I855-I993 HydrophobicContact CB-CG1 4.02Å; I855-I993 HydrophobicContact CD1-CG1 4.37Å; I855-I993 HydrophobicContact CG2-CD1 4.08Å; I855-I993 HydrophobicContact CG2-CG1 3.62Å; Q856-I993 HydrophobicContact CG-CD1 3.73Å; V924-I993 HydrophobicContact CB-CD1 3.94Å; V924-I993 HydrophobicContact CG1-CD1 4.34Å; T927-I993 HydrophobicContact CG2-CB 4.07Å; T927-I993 HydrophobicContact CG2-CG2 3.85Å; I931-I993 HydrophobicContact CD1-CG2 3.57Å; I931-I993 HydrophobicContact CG1-CG2 4.23Å; F989-I993 WeakPolarHBondContact O-CG1 3.24Å; F989-I993 PolarHBondContact O-N 3.06Å; S990-I993 PolarHBondContact O-N 3.23Å; I993-Y996 PolarHBondContact O-N 2.81Å; I993-D997 PolarHBondContact O-N 3.1Å
994	F	96	Very high	94.7	Very high	45 Å²	45	48.1 Å²	48.1	20%	0.197	24%	0.244	C	C	.	.	H	α-helix	trans	-58.9	-52.9	-179.6	-176.4	-104.5	0	0	0	111.4	T927 I931 I939 F940 S990 F991 L992 E998	T927-F994 VanDerWaalsContact CG2-CA 3.48Å; T927-F994 HydrophobicContact CG2-CB 3.42Å; T927-F994 VanDerWaalsContact CG2-CB 3.42Å; T927-F994 HydrophobicContact CG2-CD2 4.15Å; T927-F994 HydrophobicContact CG2-CG 4.29Å; T927-F994 VanDerWaalsContact CG2-N 3.33Å; I931-F994 HydrophobicContact CG2-CD2 4.45Å; I939-F994 HydrophobicContact CD1-CE2 4.1Å; I939-F994 HydrophobicContact CG2-CE2 3.91Å; I939-F994 HydrophobicContact CG2-CZ 3.82Å; F940-F994 HydrophobicContact CE2-CZ 4.33Å; F940-F994 HydrophobicContact CZ-CE1 4.44Å; F940-F994 HydrophobicContact CZ-CZ 4.14Å; S990-F994 PolarHBondContact O-N 2.82Å; F991-F994 WeakPolarHBondContact O-CB 3.47Å; F991-F994 PolarHBondContact O-N 3.49Å; L992-F994 VanDerWaalsContact C-N 3.31Å; L992-F994 PolarHBondContact O-N 3.05Å; F994-E998 WeakPolarHBondContact O-CB 3.46Å; F994-E998 PolarHBondContact O-N 3.21Å
995	V	96.2	Very high	94.7	Very high	57 Å²	57	47.1 Å²	47.1	35%	0.345	24%	0.235	S	C	.	.	H	α-helix	trans	-65.4	-42.4	-177.6	174.5	0	0	0	0	110.5	F991 L992 V999	F991-V995 HydrophobicContact CD1-CG2 4.13Å; F991-V995 HydrophobicContact CE1-CG2 3.65Å; F991-V995 HydrophobicContact CE2-CG2 4.07Å; F991-V995 HydrophobicContact CZ-CG2 3.62Å; F991-V995 WeakPolarHBondContact O-CG2 3.49Å; F991-V995 PolarHBondContact O-N 3.38Å; F991-V995 VanDerWaalsContact O-N 3.08Å; L992-V995 PolarHBondContact O-N 3.25Å; V995-V999 HydrophobicContact CG1-CG2 4.2Å; V995-V999 WeakPolarHBondContact O-CB 3.46Å; V995-V999 WeakPolarHBondContact O-CG2 3.38Å; V995-V999 PolarHBondContact O-N 2.76Å
996	Y	96.4	Very high	94.6	Very high	94 Å²	94	55.2 Å²	55.2	37%	0.369	26%	0.262	S	S	.	.	H	α-helix	trans	-58.1	-53	-179.8	177.4	-105.4	0	0	0	111.7	Q851 I852 L992 I993 V999 R1000	Q851-Y996 HydrophobicContact CB-CE1 4.41Å; Q851-Y996 PolarHBondContact OE1-OH 3Å; I852-Y996 HydrophobicContact CD1-CD1 3.74Å; I852-Y996 HydrophobicContact CD1-CE1 4.06Å; L992-Y996 WeakPolarHBondContact O-CB 3.42Å; L992-Y996 PolarHBondContact O-N 3.17Å; I993-Y996 PolarHBondContact O-N 2.81Å; Y996-V999 PolarHBondContact O-N 2.95Å; Y996-R1000 WeakPolarHBondContact O-CB 3.37Å; Y996-R1000 PolarHBondContact O-N 3.15Å
997	D	95.5	Very high	94.7	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.011	28%	0.28	C	S	.	.	H	α-helix	trans	-73.1	-35.3	-176.2	-173.7	70.1	0	0	0	112.5	I931 I993 V999 R1000 K1001	I931-D997 HydrophobicContact CB-CB 3.96Å; I931-D997 WeakPolarHBondContact CB-OD2 3.27Å; I931-D997 HydrophobicContact CD1-CB 3.77Å; I931-D997 HydrophobicContact CG1-CB 4.48Å; I931-D997 HydrophobicContact CG2-CB 3.8Å; I993-D997 PolarHBondContact O-N 3.1Å; D997-V999 PolarHBondContact O-N 3.14Å; D997-R1000 WeakPolarHBondContact O-CB 3.17Å; D997-R1000 PolarHBondContact O-N 2.77Å; D997-R1000 IonicContact OD1-CZ 2.69Å; D997-R1000 IonicContact OD1-NE 3.37Å; D997-R1000 PolarHBondContact OD1-NE 3.43Å; D997-R1000 IonicContact OD1-NH2 3.04Å; D997-R1000 PolarHBondContact OD1-NH2 3.46Å; D997-R1000 IonicContact OD2-NH2 3.89Å; D997-K1001 WeakPolarHBondContact O-CB 3.49Å; D997-K1001 VanDerWaalsContact O-CG 3.26Å; D997-K1001 WeakPolarHBondContact O-CG 3.42Å; D997-K1001 PolarHBondContact O-N 3.31Å; D997-K1001 VanDerWaalsContact OD2-CD 3.24Å; D997-K1001 WeakPolarHBondContact OD2-CD 3.23Å; D997-K1001 WeakPolarHBondContact OD2-CE 3.47Å; D997-K1001 IonicContact OD2-NZ 3.79Å; D997-K1001 PolarHBondContact OD2-NZ 2.68Å
998	E	95.6	Very high	94.2	Very high	26 Å²	26	59.4 Å²	59.4	12%	0.121	29%	0.29	C	S	.	.	H	α-helix	trans	-67.5	-37.3	175.4	-172	55.9	-135.6	0	0	111.7	S938 I939 F994 K1001 F1002 R1005	S938-E998 WeakPolarHBondContact CA-OE1 3.42Å; S938-E998 WeakPolarHBondContact CB-OE1 3.27Å; S938-E998 PolarHBondContact OG-OE1 2.98Å; S938-E998 PolarHBondContact OG-OE2 3.37Å; I939-E998 PolarHBondContact N-OE2 2.92Å; F994-E998 WeakPolarHBondContact O-CB 3.46Å; F994-E998 PolarHBondContact O-N 3.21Å; E998-K1001 PolarHBondContact O-N 3.22Å; E998-F1002 VanDerWaalsContact O-CB 3.29Å; E998-F1002 WeakPolarHBondContact O-CB 3.4Å; E998-F1002 PolarHBondContact O-N 3.48Å; E998-R1005 IonicContact OE1-NH2 3.43Å; E998-R1005 PolarHBondContact OE1-NH2 3.33Å; E998-R1005 VanDerWaalsContact OE1-NH2 3.14Å
999	V	95.2	Very high	93.6	Very high	76 Å²	76	61 Å²	61	46%	0.461	30%	0.3	S	S	.	.	H	α-helix	trans	-65.2	-43.1	171.7	170.7	0	0	0	0	110.7	V995 Y996 D997 K1001 F1002 L1003	V995-V999 HydrophobicContact CG1-CG2 4.2Å; V995-V999 WeakPolarHBondContact O-CB 3.46Å; V995-V999 WeakPolarHBondContact O-CG2 3.38Å; V995-V999 PolarHBondContact O-N 2.76Å; Y996-V999 PolarHBondContact O-N 2.95Å; D997-V999 PolarHBondContact O-N 3.14Å; V999-K1001 PolarHBondContact O-N 3.41Å; V999-F1002 WeakPolarHBondContact O-CB 3.33Å; V999-F1002 PolarHBondContact O-N 3.23Å; V999-L1003 HydrophobicContact CG1-CD1 4.19Å; V999-L1003 HydrophobicContact CG1-CG 4.47Å; V999-L1003 WeakPolarHBondContact O-CG 3.45Å; V999-L1003 PolarHBondContact O-N 3.13Å
1000	R	94.8	Very high	93	Very high	7 Å²	7	61 Å²	61	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-56.5	-50.4	174.7	-177.2	-167.6	70.7	87.6	1	111	Y996 D997 F1002 L1003 L1004 L1013 T1017	Y996-R1000 WeakPolarHBondContact O-CB 3.37Å; Y996-R1000 PolarHBondContact O-N 3.15Å; D997-R1000 WeakPolarHBondContact O-CB 3.17Å; D997-R1000 PolarHBondContact O-N 2.77Å; D997-R1000 IonicContact OD1-CZ 2.69Å; D997-R1000 IonicContact OD1-NE 3.37Å; D997-R1000 PolarHBondContact OD1-NE 3.43Å; D997-R1000 IonicContact OD1-NH2 3.04Å; D997-R1000 PolarHBondContact OD1-NH2 3.46Å; D997-R1000 IonicContact OD2-NH2 3.89Å; R1000-F1002 VanDerWaalsContact C-N 3.35Å; R1000-F1002 PolarHBondContact O-N 3.03Å; R1000-L1003 PolarHBondContact O-N 2.84Å; R1000-L1004 VanDerWaalsContact NH1-CD1 3.29Å; R1000-L1004 WeakPolarHBondContact O-CG 3.41Å; R1000-L1004 PolarHBondContact O-N 3.4Å; R1000-L1013 HydrophobicContact CG-CD1 4.2Å; R1000-L1013 HydrophobicContact CG-CD2 4.43Å; R1000-T1017 PolarHBondContact NH1-O 3.1Å; R1000-T1017 PolarHBondContact NH1-OG1 3.44Å
1001	K	94.3	Very high	92.8	Very high	1 Å²	1	61.2 Å²	61.2	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-39.1	177.6	-71.1	166.4	166.8	162.3	0	112.4	I931 T934 D997 E998 V999 L1003 L1004 R1005	I931-K1001 PolarHBondContact O-NZ 2.71Å; T934-K1001 WeakPolarHBondContact O-CE 3.14Å; T934-K1001 PolarHBondContact O-NZ 2.98Å; T934-K1001 WeakPolarHBondContact OG1-CE 3.31Å; T934-K1001 PolarHBondContact OG1-NZ 3.16Å; D997-K1001 WeakPolarHBondContact O-CB 3.49Å; D997-K1001 VanDerWaalsContact O-CG 3.26Å; D997-K1001 WeakPolarHBondContact O-CG 3.42Å; D997-K1001 PolarHBondContact O-N 3.31Å; D997-K1001 VanDerWaalsContact OD2-CD 3.24Å; D997-K1001 WeakPolarHBondContact OD2-CD 3.23Å; D997-K1001 WeakPolarHBondContact OD2-CE 3.47Å; D997-K1001 IonicContact OD2-NZ 3.79Å; D997-K1001 PolarHBondContact OD2-NZ 2.68Å; E998-K1001 PolarHBondContact O-N 3.22Å; V999-K1001 PolarHBondContact O-N 3.41Å; K1001-L1003 VanDerWaalsContact C-N 3.34Å; K1001-L1003 PolarHBondContact O-N 3.45Å; K1001-L1004 PolarHBondContact O-N 2.97Å; K1001-R1005 WeakPolarHBondContact O-CG 3.29Å; K1001-R1005 PolarHBondContact O-N 3.17Å; K1001-R1005 PolarHBondContact O-NH1 3.39Å
1002	F	94.2	Very high	92.6	Very high	89 Å²	89	63.3 Å²	63.3	39%	0.39	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-43.7	173.8	174.3	-99.3	0	0	0	112	E998 V999 R1000 R1005 R1006	E998-F1002 VanDerWaalsContact O-CB 3.29Å; E998-F1002 WeakPolarHBondContact O-CB 3.4Å; E998-F1002 PolarHBondContact O-N 3.48Å; V999-F1002 WeakPolarHBondContact O-CB 3.33Å; V999-F1002 PolarHBondContact O-N 3.23Å; R1000-F1002 VanDerWaalsContact C-N 3.35Å; R1000-F1002 PolarHBondContact O-N 3.03Å; F1002-R1005 PolarHBondContact O-N 3.11Å; F1002-R1006 HydrophobicContact CE2-CG 4.49Å; F1002-R1006 HydrophobicContact CZ-CG 4.35Å; F1002-R1006 PolarHBondContact O-N 2.93Å; F1002-R1006 VanDerWaalsContact O-N 3.16Å
1003	L	93.4	Very high	92.3	Very high	74 Å²	74	60.3 Å²	60.3	39%	0.387	30%	0.301	S	S	.	.	H	α-helix	trans	-66.1	-40.6	175.2	-68.7	174.8	0	0	0	111.8	V999 R1000 K1001 R1005 R1006 L1007 L1013	V999-L1003 HydrophobicContact CG1-CD1 4.19Å; V999-L1003 HydrophobicContact CG1-CG 4.47Å; V999-L1003 WeakPolarHBondContact O-CG 3.45Å; V999-L1003 PolarHBondContact O-N 3.13Å; R1000-L1003 PolarHBondContact O-N 2.84Å; K1001-L1003 VanDerWaalsContact C-N 3.34Å; K1001-L1003 PolarHBondContact O-N 3.45Å; L1003-R1005 VanDerWaalsContact C-N 3.26Å; L1003-R1005 PolarHBondContact O-N 3.08Å; L1003-R1006 PolarHBondContact O-N 2.96Å; L1003-R1006 VanDerWaalsContact O-N 3.14Å; L1003-L1007 HydrophobicContact CB-CD1 4.33Å; L1003-L1007 WeakPolarHBondContact O-CB 3.43Å; L1003-L1007 VanDerWaalsContact O-CG 3.29Å; L1003-L1007 WeakPolarHBondContact O-CG 3.44Å; L1003-L1007 PolarHBondContact O-N 3.03Å; L1003-L1013 HydrophobicContact CB-CD2 3.43Å; L1003-L1013 VanDerWaalsContact CB-CD2 3.43Å; L1003-L1013 HydrophobicContact CD1-CD2 4.37Å
1004	L	92.1	Very high	92	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-58.8	-35.8	174.8	-75.5	176.5	0	0	0	113	R936 R1000 K1001 L1013 E1014 Y1018	R936-L1004 PolarHBondContact NH2-O 3.35Å; R1000-L1004 VanDerWaalsContact NH1-CD1 3.29Å; R1000-L1004 WeakPolarHBondContact O-CG 3.41Å; R1000-L1004 PolarHBondContact O-N 3.4Å; K1001-L1004 PolarHBondContact O-N 2.97Å; L1004-L1013 HydrophobicContact CD2-CB 4.16Å; L1004-L1013 HydrophobicContact CD2-CD2 3.98Å; L1004-L1013 HydrophobicContact CD2-CG 3.77Å; L1004-L1013 HydrophobicContact CG-CD2 3.93Å; L1004-L1013 HydrophobicContact CG-CG 4.16Å; L1004-E1014 VanDerWaalsContact CD2-CA 3.43Å; L1004-E1014 HydrophobicContact CD2-CB 3.77Å; L1004-E1014 HydrophobicContact CD2-CG 4.35Å; L1004-Y1018 HydrophobicContact CD1-CD2 4.41Å
1005	R	91.8	Very high	91.7	Very high	63 Å²	63	65.7 Å²	65.7	24%	0.238	33%	0.325	C	S	.	.	H	α-helix	trans	-77.1	-27.7	177.5	-68.1	-175.7	-60	-94.6	6.1	113.1	R936 E998 K1001 F1002 L1003	R936-R1005 HydrophobicContact CG-CG 4.34Å; R936-R1005 PolarHBondContact O-NH1 3.32Å; E998-R1005 IonicContact OE1-NH2 3.43Å; E998-R1005 PolarHBondContact OE1-NH2 3.33Å; E998-R1005 VanDerWaalsContact OE1-NH2 3.14Å; K1001-R1005 WeakPolarHBondContact O-CG 3.29Å; K1001-R1005 PolarHBondContact O-N 3.17Å; K1001-R1005 PolarHBondContact O-NH1 3.39Å; F1002-R1005 PolarHBondContact O-N 3.11Å; L1003-R1005 VanDerWaalsContact C-N 3.26Å; L1003-R1005 PolarHBondContact O-N 3.08Å
1006	R	92	Very high	91.5	Very high	191 Å²	191	66.9 Å²	66.9	72%	0.721	33%	0.327	S	S	*	.	H	α-helix	trans	-91.5	-33.2	-178.3	-79.2	-157.2	172.6	-164.3	2.6	114.3	F1002 L1003	F1002-R1006 HydrophobicContact CE2-CG 4.49Å; F1002-R1006 HydrophobicContact CZ-CG 4.35Å; F1002-R1006 PolarHBondContact O-N 2.93Å; F1002-R1006 VanDerWaalsContact O-N 3.16Å; L1003-R1006 PolarHBondContact O-N 2.96Å; L1003-R1006 VanDerWaalsContact O-N 3.14Å
1007	L	91.1	Very high	91.2	Very high	71 Å²	71	62.6 Å²	62.6	37%	0.372	31%	0.31	S	S	.	.	S	Bend	trans	-73.8	151.6	179.3	-69.6	172.8	0	0	0	110.6	L1003 L1013	L1003-L1007 HydrophobicContact CB-CD1 4.33Å; L1003-L1007 WeakPolarHBondContact O-CB 3.43Å; L1003-L1007 VanDerWaalsContact O-CG 3.29Å; L1003-L1007 WeakPolarHBondContact O-CG 3.44Å; L1003-L1007 PolarHBondContact O-N 3.03Å; L1007-L1013 HydrophobicContact CD1-CB 4.16Å; L1007-L1013 HydrophobicContact CD1-CD2 4.21Å
1008	P	85.1	Confident	91.1	Very high	87 Å²	87	65.3 Å²	65.3	57%	0.565	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-61.6	147.6	177	25.7	-34	0	0	0	111	G1010 S1011	P1008-G1010 PolarHBondContact O-N 3.07Å; P1008-S1011 WeakPolarHBondContact O-CB 3.43Å; P1008-S1011 PolarHBondContact O-N 2.71Å; P1008-S1011 VanDerWaalsContact O-N 3.14Å
1009	P	81.5	Confident	90.8	Very high	113 Å²	113	64.8 Å²	64.8	73%	0.734	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	135.3	175.4	22	-30.2	0	0	0	110.4	E1014	P1009-E1014 VanDerWaalsContact CA-OE2 3.27Å; P1009-E1014 WeakPolarHBondContact CA-OE2 3.16Å
1010	G	85.2	Confident	90.6	Very high	40 Å²	40	64.2 Å²	64.2	41%	0.412	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	8	-173.9	0	0	0	0	0	115.1	P1008 E1014 K1015	P1008-G1010 PolarHBondContact O-N 3.07Å; G1010-E1014 PolarHBondContact N-OE2 2.84Å; G1010-K1015 VanDerWaalsContact O-CE 3.27Å; G1010-K1015 WeakPolarHBondContact O-CE 3.32Å
1011	S	89.4	Confident	90.4	Very high	17 Å²	17	67.2 Å²	67.2	12%	0.119	33%	0.325	C	S	.	.			trans	-56.8	157.7	171.8	67.5	0	0	0	0	112.5	P1008 L1013 E1014 K1015	P1008-S1011 WeakPolarHBondContact O-CB 3.43Å; P1008-S1011 PolarHBondContact O-N 2.71Å; P1008-S1011 VanDerWaalsContact O-N 3.14Å; S1011-L1013 PolarHBondContact O-N 3.37Å; S1011-E1014 PolarHBondContact O-N 2.83Å; S1011-E1014 VanDerWaalsContact O-N 3.14Å; S1011-E1014 PolarHBondContact OG-N 2.83Å; S1011-K1015 PolarHBondContact O-N 3.16Å
1012	W	91.5	Very high	90.2	Very high	186 Å²	186	70.9 Å²	70.9	71%	0.705	34%	0.343	S	S	*	.	H	α-helix	trans	-54.5	-42.1	176.3	179.3	82.4	0	0	0	111.5	E1014 K1015 E1016	W1012-E1014 VanDerWaalsContact C-N 3.33Å; W1012-E1014 PolarHBondContact O-N 3.35Å; W1012-K1015 PolarHBondContact O-N 3.1Å; W1012-E1016 HydrophobicContact CD2-CG 3.94Å; W1012-E1016 VanDerWaalsContact CE2-CG 3.49Å; W1012-E1016 HydrophobicContact CG-CG 4.28Å; W1012-E1016 HydrophobicContact CH2-CG 4.39Å; W1012-E1016 HydrophobicContact CZ2-CB 4.49Å; W1012-E1016 HydrophobicContact CZ2-CG 3.76Å; W1012-E1016 WeakPolarHBondContact O-CG 3.22Å; W1012-E1016 PolarHBondContact O-N 3.35Å
1013	L	91	Very high	89.9	Confident	26 Å²	26	69.8 Å²	69.8	14%	0.136	34%	0.341	C	S	.	.	H	α-helix	trans	-60.3	-41.2	179.3	-171.1	67.4	0	0	0	112.5	R1000 L1003 L1004 L1007 S1011 T1017	R1000-L1013 HydrophobicContact CG-CD1 4.2Å; R1000-L1013 HydrophobicContact CG-CD2 4.43Å; L1003-L1013 HydrophobicContact CB-CD2 3.43Å; L1003-L1013 VanDerWaalsContact CB-CD2 3.43Å; L1003-L1013 HydrophobicContact CD1-CD2 4.37Å; L1004-L1013 HydrophobicContact CD2-CB 4.16Å; L1004-L1013 HydrophobicContact CD2-CD2 3.98Å; L1004-L1013 HydrophobicContact CD2-CG 3.77Å; L1004-L1013 HydrophobicContact CG-CD2 3.93Å; L1004-L1013 HydrophobicContact CG-CG 4.16Å; L1007-L1013 HydrophobicContact CD1-CB 4.16Å; L1007-L1013 HydrophobicContact CD1-CD2 4.21Å; S1011-L1013 PolarHBondContact O-N 3.37Å; L1013-T1017 HydrophobicContact CD1-CG2 3.86Å; L1013-T1017 WeakPolarHBondContact O-CB 3.48Å; L1013-T1017 PolarHBondContact O-N 3.12Å; L1013-T1017 PolarHBondContact O-OG1 2.78Å
1014	E	89.6	Confident	89.7	Confident	32 Å²	32	69.6 Å²	69.6	15%	0.15	34%	0.338	C	S	.	.	H	α-helix	trans	-69.1	-40.7	177.6	-171.1	169.2	-145.2	0	0	111.6	R936 L1004 P1009 G1010 S1011 W1012 E1016 Y1018	R936-E1014 IonicContact NH1-OE1 2.84Å; R936-E1014 PolarHBondContact NH1-OE1 3.13Å; L1004-E1014 VanDerWaalsContact CD2-CA 3.43Å; L1004-E1014 HydrophobicContact CD2-CB 3.77Å; L1004-E1014 HydrophobicContact CD2-CG 4.35Å; P1009-E1014 VanDerWaalsContact CA-OE2 3.27Å; P1009-E1014 WeakPolarHBondContact CA-OE2 3.16Å; G1010-E1014 PolarHBondContact N-OE2 2.84Å; S1011-E1014 PolarHBondContact O-N 2.83Å; S1011-E1014 VanDerWaalsContact O-N 3.14Å; S1011-E1014 PolarHBondContact OG-N 2.83Å; W1012-E1014 VanDerWaalsContact C-N 3.33Å; W1012-E1014 PolarHBondContact O-N 3.35Å; E1014-E1016 VanDerWaalsContact C-N 3.3Å; E1014-E1016 PolarHBondContact O-N 3.37Å; E1014-Y1018 HydrophobicContact CG-CD1 4.15Å; E1014-Y1018 HydrophobicContact CG-CG 4.34Å; E1014-Y1018 VanDerWaalsContact O-CB 3.27Å; E1014-Y1018 WeakPolarHBondContact O-CB 3.44Å; E1014-Y1018 PolarHBondContact O-N 2.87Å
1015	K	89.4	Confident	89.5	Confident	126 Å²	126	74.1 Å²	74.1	55%	0.548	36%	0.36	S	S	.	.	H	α-helix	trans	-67.3	-28.5	178.5	-71.3	-179.2	177.7	177	0	113.9	R843 G1010 S1011 W1012	R843-K1015 WeakPolarHBondContact CD-O 3.26Å; R843-K1015 PolarHBondContact NE-O 2.88Å; G1010-K1015 VanDerWaalsContact O-CE 3.27Å; G1010-K1015 WeakPolarHBondContact O-CE 3.32Å; S1011-K1015 PolarHBondContact O-N 3.16Å; W1012-K1015 PolarHBondContact O-N 3.1Å
1016	E	91.4	Very high	89.4	Confident	83 Å²	83	74.9 Å²	74.9	39%	0.388	37%	0.369	S	S	.	.	H	α-helix	trans	-97.1	-35.3	-177.6	-64.6	-62.2	158.5	0	0	113.3	W1012 E1014	W1012-E1016 HydrophobicContact CD2-CG 3.94Å; W1012-E1016 VanDerWaalsContact CE2-CG 3.49Å; W1012-E1016 HydrophobicContact CG-CG 4.28Å; W1012-E1016 HydrophobicContact CH2-CG 4.39Å; W1012-E1016 HydrophobicContact CZ2-CB 4.49Å; W1012-E1016 HydrophobicContact CZ2-CG 3.76Å; W1012-E1016 WeakPolarHBondContact O-CG 3.22Å; W1012-E1016 PolarHBondContact O-N 3.35Å; E1014-E1016 VanDerWaalsContact C-N 3.3Å; E1014-E1016 PolarHBondContact O-N 3.37Å
1017	T	91.6	Very high	89.2	Confident	4 Å²	4	66 Å²	66	3%	0.025	34%	0.341	C	S	.	.	H	α-helix	trans	-117.5	-14.4	-167.4	74.1	0	0	0	0	115.4	M847 R1000 L1013 Y1019	M847-T1017 WeakPolarHBondContact CG-O 3.3Å; M847-T1017 VanDerWaalsContact SD-CB 3.53Å; M847-T1017 HydrophobicContact SD-CG2 3.81Å; R1000-T1017 PolarHBondContact NH1-O 3.1Å; R1000-T1017 PolarHBondContact NH1-OG1 3.44Å; L1013-T1017 HydrophobicContact CD1-CG2 3.86Å; L1013-T1017 WeakPolarHBondContact O-CB 3.48Å; L1013-T1017 PolarHBondContact O-N 3.12Å; L1013-T1017 PolarHBondContact O-OG1 2.78Å; T1017-Y1019 PolarHBondContact O-N 3.19Å
1018	Y	92.2	Very high	89	Confident	59 Å²	59	65.6 Å²	65.6	23%	0.231	34%	0.339	C	S	.	.			trans	-87.1	90.6	178.2	-173.9	-119.9	0	0	0	109.9	R843 R935 R936 L1004 E1014	R843-Y1018 WeakPolarHBondContact CD-O 3.47Å; R843-Y1018 PolarHBondContact NH1-O 3.28Å; R935-Y1018 HydrophobicContact CB-CE2 3.93Å; R936-Y1018 HydrophobicContact CB-CE2 3.88Å; L1004-Y1018 HydrophobicContact CD1-CD2 4.41Å; E1014-Y1018 HydrophobicContact CG-CD1 4.15Å; E1014-Y1018 HydrophobicContact CG-CG 4.34Å; E1014-Y1018 VanDerWaalsContact O-CB 3.27Å; E1014-Y1018 WeakPolarHBondContact O-CB 3.44Å; E1014-Y1018 PolarHBondContact O-N 2.87Å
1019	Y	90.2	Very high	89.4	Confident	14 Å²	14	63.6 Å²	63.6	6%	0.055	32%	0.318	C	S	.	.			trans	-76.1	0	178.5	57.9	-93.9	0	0	0	112.8	K768 A772 N841 L844 M847 R935 T1017	K768-Y1019 PolarHBondContact NZ-OXT 3.22Å; A772-Y1019 HydrophobicContact CB-CE2 4.04Å; N841-Y1019 PolarHBondContact ND2-OXT 2.79Å; L844-Y1019 HydrophobicContact CB-CG 4.27Å; L844-Y1019 HydrophobicContact CD1-CD2 4.02Å; L844-Y1019 HydrophobicContact CG-CD2 4.16Å; L844-Y1019 HydrophobicContact CG-CG 4.27Å; M847-Y1019 HydrophobicContact CB-CD1 4.17Å; M847-Y1019 HydrophobicContact CB-CE1 4.35Å; M847-Y1019 HydrophobicContact CG-CD1 4Å; M847-Y1019 HydrophobicContact CG-CE1 4.37Å; R935-Y1019 HydrophobicContact CG-CD2 4.22Å; R935-Y1019 HydrophobicContact CG-CE2 3.61Å; R935-Y1019 PolarHBondContact NE-O 3.32Å; R935-Y1019 PolarHBondContact NH2-O 3.13Å; R935-Y1019 PolarHBondContact NH2-OXT 2.92Å; T1017-Y1019 PolarHBondContact O-N 3.19Å

Retrieved 1,019 of 1,019 residues in 485 ms (Link to these results)

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