A0A087XUY1_POEFO Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A087XUY1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 799 aa.

						>A0A087XUY1_POEFO|A0A087XUY1
MAGRSRRAWFSVLLGLVVGFTLASRLILPKATELKRAGQKRKANPAACGLHGGLRNEHGGVLWAPQADGSPTTVKPDSSSKSFLFVGVMTAQKYLNSRAVAAHRTWAQTIPGRVEFFSSEGSDTSIPIPIVALRNVDDSYPPQKKSFMMLKYMHDHYLDKYEWFMRADDDVYIKSERLESFLRSLNSSEAIFLGQTGMGARDELGKLALEPGENFCMGGPGVIMSREVLRRMVPHIRECLQEMYTTHEDVEVGRCVRRFAKVQCVWSYEMQQLFYENYEPNKKGYIRDLHNSKIHRAITLHPNKNPPYQYRLHSYLLSRKIADLRHRTIQLHREIVQMGRYGAAEPTREDLQLGIPPSFMRFHPHQRDEVLEWEFLTGKYLFSSSDSQPPRRGMDSSQRQALDDIIMQVMEMINANAKTRGRVIDFKEIQYGYRRVNPLYGAEYVLDLLLLYKKHKGKTMTVPVRRHAYLQQTFSQIQFREEDEMDARALASHINQESDSLSFLSNSLKMLVPFKLTSSGQDQREPKESKVNILVPLSGRYDIFVRFMANFEKVCLIPNLNVKVLILLFSTDNNTERVKQVELMREYHLKYPRADMEIKPVAGSFSRALALEVGSLHFSNNSLLFYCDVDLLFSSDFLKRCRTNTALGEQAYFPIIFSQYDPKVVYSGKVPSNNHYVFTSKTGLWRTYGFGIVCVYKGDLVRAGGFDTSIQGWGLEDVDLYNKFVQSGIKLFRSTDTGIVHVHHPVICDPNLEAKQYKMCLGSKASSYGSTQQLSELWLEKNDHGFGKLASSNASVRTA
					

Structure Viewer

Loading PAE data...

(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	39.2	Very low	50.9	Low	250 Å²	250	160.4 Å²	160.4	100%	1.232	81%	0.808	S	S	*	*				0	127.5	0	-73.5	-176.6	-125.7	0	0	108.4
2	A	37.7	Very low	52.8	Low	104 Å²	104	154.8 Å²	154.8	86%	0.86	79%	0.789	S	S	*	*			trans	-70.2	137.6	-159.2	0	0	0	0	0	114.8
3	G	47.8	Very low	54.5	Low	79 Å²	79	151.2 Å²	151.2	81%	0.814	77%	0.771	S	S	*	*			trans	-77.2	137.6	169.9	0	0	0	0	0	112.4
4	R	44.1	Very low	56.1	Low	248 Å²	248	148.6 Å²	148.6	94%	0.936	76%	0.759	S	S	*	*			trans	-121.4	100.1	176.9	-108.8	179.4	169.7	172.7	-3.3	111.9
5	S	41.8	Very low	57.6	Low	87 Å²	87	141.8 Å²	141.8	61%	0.608	74%	0.74	S	S	*	*			trans	46.4	104.9	130.8	-167.4	0	0	0	0	120.6	R7	S5-R7 PolarHBondContact O-N 2.91Å; S5-R7 WeakPolarHBondContact OG-CB 3.49Å; S5-R7 PolarHBondContact OG-N 3.33Å
6	R	51.8	Low	59	Low	248 Å²	248	140.6 Å²	140.6	94%	0.936	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	11.4	161.4	-79.7	-177.5	169	-171	-2.8	114.7
7	R	53.8	Low	60.5	Low	210 Å²	210	137.1 Å²	137.1	79%	0.792	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-12.7	-175	-82.7	-177.1	175.9	177.2	-1.1	116.1	S5	S5-R7 PolarHBondContact O-N 2.91Å; S5-R7 WeakPolarHBondContact OG-CB 3.49Å; S5-R7 PolarHBondContact OG-N 3.33Å
8	A	55.3	Low	61.7	Low	67 Å²	67	133.3 Å²	133.3	55%	0.554	70%	0.703	S	S	*	*	H	α-helix	trans	-76.4	-30.5	-173.3	0	0	0	0	0	114.4
9	W	58.7	Low	62.5	Low	211 Å²	211	128.5 Å²	128.5	80%	0.799	69%	0.688	S	S	*	*	H	α-helix	trans	-77.2	-32.3	-174.6	-85.4	75.2	0	0	0	113.6	V12 L13	W9-V12 PolarHBondContact O-N 3.23Å; W9-L13 PolarHBondContact O-N 3.34Å
10	F	63.5	Low	63.4	Low	175 Å²	175	130.1 Å²	130.1	77%	0.768	69%	0.689	S	S	*	*	H	α-helix	trans	-67	-37.5	178.5	-104.2	-86.6	0	0	0	112.6	V12 L13 L14	F10-V12 VanDerWaalsContact C-N 3.35Å; F10-V12 PolarHBondContact O-N 3.48Å; F10-L13 PolarHBondContact O-N 3.11Å; F10-L14 WeakPolarHBondContact O-CB 3.41Å; F10-L14 PolarHBondContact O-N 3.44Å
11	S	66.2	Low	64	Low	85 Å²	85	127.2 Å²	127.2	59%	0.594	68%	0.677	S	S	*	*	H	α-helix	trans	-67.8	-34.2	179.1	-52.8	0	0	0	0	112.8	G15	S11-G15 PolarHBondContact O-N 3.06Å
12	V	73.6	Confident	65.6	Low	94 Å²	94	119.8 Å²	119.8	57%	0.57	64%	0.642	S	S	*	*	H	α-helix	trans	-72.1	-42.4	177.7	175.7	0	0	0	0	110.8	W9 F10 G15 L16	W9-V12 PolarHBondContact O-N 3.23Å; F10-V12 VanDerWaalsContact C-N 3.35Å; F10-V12 PolarHBondContact O-N 3.48Å; V12-G15 PolarHBondContact O-N 3.4Å; V12-L16 HydrophobicContact CG1-CD1 4.35Å; V12-L16 PolarHBondContact O-N 3.12Å
13	L	74.4	Confident	67.2	Low	107 Å²	107	116.7 Å²	116.7	56%	0.56	62%	0.616	S	S	*	*	H	α-helix	trans	-65.9	-41.1	177.6	-126.8	120.3	0	0	0	111.5	W9 F10 G15 L16 V17	W9-L13 PolarHBondContact O-N 3.34Å; F10-L13 PolarHBondContact O-N 3.11Å; L13-G15 PolarHBondContact O-N 2.87Å; L13-L16 PolarHBondContact O-N 3.36Å; L13-V17 WeakPolarHBondContact O-CG2 3.49Å; L13-V17 PolarHBondContact O-N 3.44Å
14	L	77.4	Confident	68.2	Low	116 Å²	116	115.3 Å²	115.3	61%	0.607	59%	0.594	S	S	*	*	H	α-helix	trans	-62.9	-42.3	175.5	-167.9	70.7	0	0	0	111.5	F10 L16 V17 V18	F10-L14 WeakPolarHBondContact O-CB 3.41Å; F10-L14 PolarHBondContact O-N 3.44Å; L14-L16 PolarHBondContact O-N 2.93Å; L14-V17 PolarHBondContact O-N 3.28Å; L14-V18 HydrophobicContact CG-CG2 4.45Å; L14-V18 WeakPolarHBondContact O-CB 3.47Å; L14-V18 VanDerWaalsContact O-CG2 3.24Å; L14-V18 WeakPolarHBondContact O-CG2 3.04Å; L14-V18 PolarHBondContact O-N 2.76Å
15	G	78.1	Confident	69.2	Low	46 Å²	46	113.6 Å²	113.6	47%	0.474	59%	0.587	S	S	.	*	H	α-helix	trans	-61.9	-39.3	176.2	0	0	0	0	0	113.5	S11 V12 L13 G19	S11-G15 PolarHBondContact O-N 3.06Å; V12-G15 PolarHBondContact O-N 3.4Å; L13-G15 PolarHBondContact O-N 2.87Å; G15-G19 PolarHBondContact O-N 3.49Å
16	L	80	Confident	70.2	Confident	123 Å²	123	114.9 Å²	114.9	64%	0.644	59%	0.587	S	S	*	*	H	α-helix	trans	-68.6	-42.7	176.9	-83.5	163.8	0	0	0	112.5	V12 L13 L14 G19 F20	V12-L16 HydrophobicContact CG1-CD1 4.35Å; V12-L16 PolarHBondContact O-N 3.12Å; L13-L16 PolarHBondContact O-N 3.36Å; L14-L16 PolarHBondContact O-N 2.93Å; L16-G19 PolarHBondContact O-N 3.5Å; L16-F20 WeakPolarHBondContact O-CB 3.25Å; L16-F20 PolarHBondContact O-N 3.2Å
17	V	84.4	Confident	70.6	Confident	81 Å²	81	108.5 Å²	108.5	49%	0.491	57%	0.57	S	S	.	*	H	α-helix	trans	-67.2	-43	178.6	174.9	0	0	0	0	110.9	L13 L14 F20 T21	L13-V17 WeakPolarHBondContact O-CG2 3.49Å; L13-V17 PolarHBondContact O-N 3.44Å; L14-V17 PolarHBondContact O-N 3.28Å; V17-F20 PolarHBondContact O-N 3.42Å; V17-T21 HydrophobicContact CG1-CG2 4.49Å; V17-T21 WeakPolarHBondContact O-CB 3.34Å; V17-T21 VanDerWaalsContact O-CG2 3.29Å; V17-T21 WeakPolarHBondContact O-CG2 3.46Å; V17-T21 PolarHBondContact O-N 3.49Å; V17-T21 PolarHBondContact O-OG1 3.44Å
18	V	82	Confident	70.5	Confident	69 Å²	69	103.9 Å²	103.9	42%	0.418	56%	0.561	S	S	.	*	H	α-helix	trans	-65.8	-43	176.7	174	0	0	0	0	111	L14 F20 T21 L22	L14-V18 HydrophobicContact CG-CG2 4.45Å; L14-V18 WeakPolarHBondContact O-CB 3.47Å; L14-V18 VanDerWaalsContact O-CG2 3.24Å; L14-V18 WeakPolarHBondContact O-CG2 3.04Å; L14-V18 PolarHBondContact O-N 2.76Å; V18-F20 PolarHBondContact O-N 3.39Å; V18-T21 WeakPolarHBondContact CA-OG1 3.49Å; V18-T21 PolarHBondContact O-N 2.83Å; V18-T21 PolarHBondContact O-OG1 3.31Å; V18-L22 HydrophobicContact CG1-CD1 3.69Å; V18-L22 WeakPolarHBondContact O-CB 3.5Å; V18-L22 PolarHBondContact O-N 2.97Å
19	G	78.7	Confident	70.3	Confident	41 Å²	41	104 Å²	104	42%	0.423	56%	0.556	S	S	.	*	H	α-helix	trans	-61.7	-42.5	176.4	0	0	0	0	0	113.4	G15 L16 A23	G15-G19 PolarHBondContact O-N 3.49Å; L16-G19 PolarHBondContact O-N 3.5Å; G19-A23 WeakPolarHBondContact O-CB 3.38Å; G19-A23 PolarHBondContact O-N 3.42Å
20	F	78.9	Confident	69.9	Low	160 Å²	160	101.5 Å²	101.5	70%	0.702	55%	0.55	S	S	*	*	H	α-helix	trans	-72.6	-35.6	-179.9	-164.8	-93.8	0	0	0	112.7	L16 V17 V18 S24	L16-F20 WeakPolarHBondContact O-CB 3.25Å; L16-F20 PolarHBondContact O-N 3.2Å; V17-F20 PolarHBondContact O-N 3.42Å; V18-F20 PolarHBondContact O-N 3.39Å; F20-S24 WeakPolarHBondContact O-CB 3.37Å; F20-S24 PolarHBondContact O-N 3.21Å; F20-S24 PolarHBondContact O-OG 3.46Å
21	T	77.1	Confident	69.4	Low	70 Å²	70	95.9 Å²	95.9	43%	0.429	54%	0.536	S	S	.	.	H	α-helix	trans	-70.4	-38.5	176	48.5	0	0	0	0	112.4	V17 V18 S24 R25	V17-T21 HydrophobicContact CG1-CG2 4.49Å; V17-T21 WeakPolarHBondContact O-CB 3.34Å; V17-T21 VanDerWaalsContact O-CG2 3.29Å; V17-T21 WeakPolarHBondContact O-CG2 3.46Å; V17-T21 PolarHBondContact O-N 3.49Å; V17-T21 PolarHBondContact O-OG1 3.44Å; V18-T21 WeakPolarHBondContact CA-OG1 3.49Å; V18-T21 PolarHBondContact O-N 2.83Å; V18-T21 PolarHBondContact O-OG1 3.31Å; T21-S24 WeakPolarHBondContact CA-OG 3.4Å; T21-S24 PolarHBondContact O-OG 2.94Å; T21-S24 VanDerWaalsContact O-OG 3.1Å; T21-R25 WeakPolarHBondContact O-CB 3.47Å; T21-R25 PolarHBondContact O-N 3.36Å
22	L	72.8	Confident	68.6	Low	94 Å²	94	95.9 Å²	95.9	49%	0.492	53%	0.533	S	S	.	.	H	α-helix	trans	-66.7	-42.8	173.3	-95.1	140.5	0	0	0	112.2	V18 R25 L26	V18-L22 HydrophobicContact CG1-CD1 3.69Å; V18-L22 WeakPolarHBondContact O-CB 3.5Å; V18-L22 PolarHBondContact O-N 2.97Å; L22-R25 PolarHBondContact O-N 2.76Å; L22-L26 HydrophobicContact CD2-CD1 3.62Å; L22-L26 WeakPolarHBondContact O-CB 3.16Å; L22-L26 PolarHBondContact O-N 3.14Å
23	A	69.8	Low	67.5	Low	40 Å²	40	98.7 Å²	98.7	33%	0.331	54%	0.54	S	S	.	.	H	α-helix	trans	-64.3	-42.5	176.9	0	0	0	0	0	112	G19 I27	G19-A23 WeakPolarHBondContact O-CB 3.38Å; G19-A23 PolarHBondContact O-N 3.42Å; A23-I27 HydrophobicContact CB-CD1 4.18Å; A23-I27 VanDerWaalsContact O-CB 3.28Å; A23-I27 WeakPolarHBondContact O-CB 3.38Å; A23-I27 PolarHBondContact O-N 3.45Å; A23-I27 VanDerWaalsContact O-N 3.11Å
24	S	69.4	Low	66.2	Low	49 Å²	49	100 Å²	100	34%	0.343	55%	0.547	S	S	.	.	H	α-helix	trans	-70.7	-32.2	179.9	57.2	0	0	0	0	113.4	F20 T21	F20-S24 WeakPolarHBondContact O-CB 3.37Å; F20-S24 PolarHBondContact O-N 3.21Å; F20-S24 PolarHBondContact O-OG 3.46Å; T21-S24 WeakPolarHBondContact CA-OG 3.4Å; T21-S24 PolarHBondContact O-OG 2.94Å; T21-S24 VanDerWaalsContact O-OG 3.1Å
25	R	65	Low	64.5	Low	212 Å²	212	102.3 Å²	102.3	80%	0.8	55%	0.552	S	S	*	*	H	α-helix	trans	-86.8	-26.7	179.4	-72	-130	178.1	178.8	0.3	115.1	T21 L22 P29	T21-R25 WeakPolarHBondContact O-CB 3.47Å; T21-R25 PolarHBondContact O-N 3.36Å; L22-R25 PolarHBondContact O-N 2.76Å; R25-P29 WeakPolarHBondContact O-CG 3.37Å
26	L	63.3	Low	62.8	Low	115 Å²	115	110 Å²	110	60%	0.602	57%	0.567	S	S	*	*	H	α-helix	trans	-101.5	-29.8	-177.2	-67.2	176.5	0	0	0	114.5	L22	L22-L26 HydrophobicContact CD2-CD1 3.62Å; L22-L26 WeakPolarHBondContact O-CB 3.16Å; L22-L26 PolarHBondContact O-N 3.14Å
27	I	59.6	Low	61	Low	113 Å²	113	108 Å²	108	58%	0.579	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-38.3	-170.2	-53.8	177	0	0	0	111.6	A23 K30 A31	A23-I27 HydrophobicContact CB-CD1 4.18Å; A23-I27 VanDerWaalsContact O-CB 3.28Å; A23-I27 WeakPolarHBondContact O-CB 3.38Å; A23-I27 PolarHBondContact O-N 3.45Å; A23-I27 VanDerWaalsContact O-N 3.11Å; I27-K30 PolarHBondContact O-N 3.15Å; I27-A31 PolarHBondContact O-N 3.1Å
28	L	53.1	Low	58.9	Low	114 Å²	114	107.2 Å²	107.2	60%	0.597	58%	0.576	S	S	*	*	H	α-helix	trans	-64.9	-37.1	179.8	-101.8	89.5	0	0	0	115	K30 A31 T32	L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 3.48Å; L28-A31 PolarHBondContact O-N 3.03Å; L28-T32 PolarHBondContact O-N 2.62Å; L28-T32 PolarHBondContact O-OG1 3.15Å
29	P	50.5	Low	56.8	Low	69 Å²	69	111.5 Å²	111.5	45%	0.448	59%	0.591	S	S	.	*	H	α-helix	trans	-65.6	-34.4	177.3	-20.7	32.2	0	0	0	112.7	R25 T32 E33	R25-P29 WeakPolarHBondContact O-CG 3.37Å; P29-T32 PolarHBondContact O-OG1 3.1Å; P29-E33 PolarHBondContact O-N 3.22Å
30	K	50.8	Low	54.7	Low	158 Å²	158	118.9 Å²	118.9	69%	0.687	61%	0.612	S	S	*	*	H	α-helix	trans	-73.8	-30.2	177.5	-81.9	-171.8	171.8	-178.1	0	113.5	I27 L28 L34	I27-K30 PolarHBondContact O-N 3.15Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 3.48Å; K30-L34 PolarHBondContact O-N 2.82Å
31	A	51.3	Low	52.6	Low	57 Å²	57	122.8 Å²	122.8	47%	0.471	62%	0.622	S	S	.	*	H	α-helix	trans	-72.9	-29.2	176.7	0	0	0	0	0	112.9	I27 L28 K35	I27-A31 PolarHBondContact O-N 3.1Å; L28-A31 PolarHBondContact O-N 3.03Å; A31-K35 PolarHBondContact O-N 3.37Å
32	T	50.8	Low	50.3	Low	86 Å²	86	129.5 Å²	129.5	53%	0.528	65%	0.645	S	S	.	*	H	α-helix	trans	-79.1	-29.8	178.6	49.7	0	0	0	0	112.8	L28 P29 K35 R36	L28-T32 PolarHBondContact O-N 2.62Å; L28-T32 PolarHBondContact O-OG1 3.15Å; P29-T32 PolarHBondContact O-OG1 3.1Å; T32-K35 PolarHBondContact O-N 3.24Å; T32-R36 PolarHBondContact O-N 3.38Å
33	E	49.6	Very low	48.2	Very low	152 Å²	152	129.8 Å²	129.8	71%	0.71	66%	0.661	S	S	*	*	H	α-helix	trans	-67.2	-39.8	170.3	-71.3	-150.5	149.6	0	0	113	P29 K35 R36 A37	P29-E33 PolarHBondContact O-N 3.22Å; E33-K35 VanDerWaalsContact C-N 3.29Å; E33-K35 PolarHBondContact O-N 2.94Å; E33-R36 PolarHBondContact O-N 3.46Å; E33-A37 PolarHBondContact O-N 3.13Å
34	L	47.6	Very low	46.2	Very low	136 Å²	136	135.4 Å²	135.4	71%	0.712	69%	0.685	S	S	*	*	H	α-helix	trans	-65.8	-29.9	175.4	-79.9	162	0	0	0	112.9	K30	K30-L34 PolarHBondContact O-N 2.82Å
35	K	42.4	Very low	44.5	Very low	163 Å²	163	139 Å²	139	71%	0.709	71%	0.707	S	S	*	*	H	α-helix	trans	-75.8	-32	177.1	-150.1	177.4	-175	-177.6	0	112.6	A31 T32 E33 G38	A31-K35 PolarHBondContact O-N 3.37Å; T32-K35 PolarHBondContact O-N 3.24Å; E33-K35 VanDerWaalsContact C-N 3.29Å; E33-K35 PolarHBondContact O-N 2.94Å; K35-G38 PolarHBondContact O-N 3.06Å
36	R	41.3	Very low	42.9	Very low	209 Å²	209	133.4 Å²	133.4	79%	0.789	71%	0.707	S	S	*	*	H	α-helix	trans	-72.4	-30.1	173.7	-82.7	-178	173.6	176.1	-1.4	112.9	T32 E33 G38	T32-R36 PolarHBondContact O-N 3.38Å; E33-R36 PolarHBondContact O-N 3.46Å; R36-G38 VanDerWaalsContact C-N 3.32Å
37	A	43.8	Very low	41.1	Very low	79 Å²	79	132.8 Å²	132.8	65%	0.653	72%	0.718	S	S	*	*	H	α-helix	trans	-69	-27.9	173.2	0	0	0	0	0	113.2	E33	E33-A37 PolarHBondContact O-N 3.13Å
38	G	38.8	Very low	39.8	Very low	65 Å²	65	134.2 Å²	134.2	67%	0.67	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-13.9	-179.7	0	0	0	0	0	116.1	K35 R36	K35-G38 PolarHBondContact O-N 3.06Å; R36-G38 VanDerWaalsContact C-N 3.32Å
39	Q	37.4	Very low	38.5	Very low	159 Å²	159	132.2 Å²	132.2	74%	0.743	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	2.4	-173.5	-92.9	178	-32.6	0	0	115.3
40	K	35.8	Very low	38	Very low	196 Å²	196	137 Å²	137	85%	0.852	76%	0.764	S	S	*	*	S	Bend	trans	-96.6	24.7	-177.6	-102.2	-171	-178.6	-176.7	0	116.1
41	R	34.3	Very low	37	Very low	242 Å²	242	138.8 Å²	138.8	91%	0.913	78%	0.775	S	S	*	*			trans	-130.4	94	166.4	-76.2	-174.6	173.8	179	-2	110.6
42	K	30	Very low	35.8	Very low	212 Å²	212	140 Å²	140	92%	0.922	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-66.5	133.6	168.3	-95.8	-178.7	171.8	-179.1	0	109.5
43	A	28.6	Very low	34.7	Very low	99 Å²	99	139.4 Å²	139.4	82%	0.818	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-79	140.9	169.5	0	0	0	0	0	110.6
44	N	28	Very low	33.7	Very low	158 Å²	158	140.3 Å²	140.3	85%	0.845	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-103.8	128.1	165.9	-140.7	12.8	0	0	0	107	A46	N44-A46 PolarHBondContact O-N 3.12Å
45	P	31.9	Very low	32.7	Very low	124 Å²	124	145.6 Å²	145.6	81%	0.805	82%	0.823	S	S	*	*			trans	-94.5	97.1	-175.2	34.3	-27.3	0	0	0	110.3
46	A	31.3	Very low	32.1	Very low	96 Å²	96	144.7 Å²	144.7	79%	0.793	83%	0.826	S	S	*	*			trans	-155.8	142.2	159.5	0	0	0	0	0	109.3	N44	N44-A46 PolarHBondContact O-N 3.12Å
47	A	26.5	Very low	31.5	Very low	102 Å²	102	143.8 Å²	143.8	84%	0.843	83%	0.831	S	S	*	*			trans	86.2	81	175.9	0	0	0	0	0	116.5
48	C	32.3	Very low	30.9	Very low	143 Å²	143	147.9 Å²	147.9	97%	0.966	84%	0.836	S	S	*	*			trans	-62.4	131.7	139.7	-75.7	0	0	0	0	109.2
49	G	25.8	Very low	30.3	Very low	72 Å²	72	149 Å²	149	74%	0.742	85%	0.848	S	S	*	*			trans	178.2	120.8	170.9	0	0	0	0	0	111.3	H51	G49-H51 PolarHBondContact O-N 3.4Å
50	L	39.6	Very low	29.8	Very low	168 Å²	168	144.6 Å²	144.6	88%	0.88	85%	0.845	S	S	*	*			trans	-51.9	128.1	-179.5	-87.3	71.7	0	0	0	112.9
51	H	29.1	Very low	29.6	Very low	197 Å²	197	141.1 Å²	141.1	91%	0.912	84%	0.84	S	S	*	*			trans	-173.1	115.4	140.1	-98	-62.4	0	0	0	110.1	G49	G49-H51 PolarHBondContact O-N 3.4Å
52	G	27	Very low	29.2	Very low	82 Å²	82	137.8 Å²	137.8	85%	0.845	84%	0.839	S	S	*	*			trans	-116.7	84.1	171.5	0	0	0	0	0	110.4
53	G	27.1	Very low	29	Very low	74 Å²	74	138.7 Å²	138.7	76%	0.763	84%	0.837	S	S	*	*			trans	-74	131.6	172.8	0	0	0	0	0	112
54	L	28.5	Very low	29	Very low	171 Å²	171	138 Å²	138	90%	0.895	83%	0.831	S	S	*	*			trans	-65.9	122.9	164.9	-88.8	134.9	0	0	0	109.5	N56	L54-N56 PolarHBondContact O-N 2.96Å
55	R	26.2	Very low	29	Very low	247 Å²	247	136.7 Å²	136.7	93%	0.932	83%	0.831	S	S	*	*			trans	-65.5	109	163.3	-89.8	177.7	160.7	-179.4	-7	109
56	N	30.5	Very low	28.9	Very low	143 Å²	143	140.1 Å²	140.1	77%	0.765	84%	0.837	S	S	*	*			trans	-87.4	116.7	163.2	-112.3	-1.5	0	0	0	108.3	L54 H58	L54-N56 PolarHBondContact O-N 2.96Å; N56-H58 PolarHBondContact O-N 3.06Å
57	E	28.1	Very low	28.8	Very low	191 Å²	191	140 Å²	140	89%	0.893	84%	0.835	S	S	*	*			trans	-89.6	82.7	161.8	-80.1	-174.5	143.7	0	0	108.4
58	H	31.6	Very low	29.2	Very low	165 Å²	165	143.2 Å²	143.2	76%	0.764	84%	0.838	S	S	*	*			trans	-124.6	116.3	154.6	-78.1	9.8	0	0	0	106.1	N56 G60	N56-H58 PolarHBondContact O-N 3.06Å; H58-G60 PolarHBondContact O-N 3.41Å
59	G	27.7	Very low	29	Very low	89 Å²	89	139.8 Å²	139.8	92%	0.918	83%	0.828	S	S	*	*			trans	-64.7	97.5	176.4	0	0	0	0	0	110.2
60	G	26.7	Very low	29	Very low	65 Å²	65	141 Å²	141	67%	0.67	83%	0.825	S	S	*	*			trans	-84.2	121.1	163.6	0	0	0	0	0	109.1	H58 L62	H58-G60 PolarHBondContact O-N 3.41Å; G60-L62 PolarHBondContact O-N 2.81Å
61	V	31.7	Very low	28.7	Very low	124 Å²	124	139.4 Å²	139.4	75%	0.752	82%	0.824	S	S	*	*			trans	-61.8	120.1	165.9	174.5	0	0	0	0	107.8	W63	V61-W63 PolarHBondContact O-N 3.16Å
62	L	24.3	Very low	28.7	Very low	171 Å²	171	135.6 Å²	135.6	90%	0.895	82%	0.815	S	S	*	*			trans	-68.5	115.8	171.9	-86.3	140.2	0	0	0	109.2	G60	G60-L62 PolarHBondContact O-N 2.81Å
63	W	26.6	Very low	29.1	Very low	232 Å²	232	138.4 Å²	138.4	88%	0.879	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-90.1	123.2	164.7	-80.1	70.1	0	0	0	109.1	V61	V61-W63 PolarHBondContact O-N 3.16Å
64	A	28.1	Very low	29.3	Very low	84 Å²	84	141.3 Å²	141.3	69%	0.694	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-75	152.4	168.5	0	0	0	0	0	110.2
65	P	28	Very low	29.4	Very low	131 Å²	131	142.1 Å²	142.1	85%	0.851	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-77.7	129	-175.2	30.3	-30.6	0	0	0	110.8
66	Q	30	Very low	29.8	Very low	196 Å²	196	136.3 Å²	136.3	92%	0.916	81%	0.809	S	S	*	*			trans	-133.9	136.4	162.8	-119	176.6	-0.6	0	0	110.6
67	A	29.5	Very low	30.1	Very low	93 Å²	93	135.4 Å²	135.4	77%	0.769	80%	0.804	S	S	*	*			trans	-74.1	156.9	-165.5	0	0	0	0	0	114.4
68	D	34.8	Very low	30.7	Very low	169 Å²	169	131.5 Å²	131.5	90%	0.904	80%	0.798	S	S	*	*			trans	20.7	114.5	154.6	-67.2	-21.2	0	0	0	119.5
69	G	28	Very low	31.6	Very low	72 Å²	72	127.1 Å²	127.1	74%	0.742	79%	0.786	S	S	*	*			trans	158	100.6	156.5	0	0	0	0	0	115.7
70	S	27.1	Very low	33.1	Very low	97 Å²	97	125.5 Å²	125.5	68%	0.678	76%	0.761	S	S	*	*			trans	42.3	137.1	157.4	75.4	0	0	0	0	121.2	T72	S70-T72 PolarHBondContact O-N 3.24Å
71	P	32.4	Very low	34.8	Very low	135 Å²	135	130.2 Å²	130.2	88%	0.877	76%	0.763	S	S	*	*			trans	-78.4	92.6	-179.9	32.7	-31.7	0	0	0	111.3
72	T	29.6	Very low	37.2	Very low	116 Å²	116	127 Å²	127	71%	0.712	75%	0.746	S	S	*	*			trans	-78.1	122.1	159.6	46	0	0	0	0	109.4	S70 V74	S70-T72 PolarHBondContact O-N 3.24Å; T72-V74 PolarHBondContact O-N 3.24Å
73	T	35.2	Very low	40.5	Very low	142 Å²	142	119 Å²	119	87%	0.871	70%	0.704	S	S	*	*			trans	-56.9	100.9	171.8	34.6	0	0	0	0	110.9	K75	T73-K75 PolarHBondContact O-N 2.84Å; T73-K75 VanDerWaalsContact O-N 3.12Å
74	V	30.3	Very low	43.8	Very low	135 Å²	135	108 Å²	108	82%	0.818	66%	0.662	S	S	*	*			trans	-69.5	106.8	169.5	-178.8	0	0	0	0	107.8	T72	T72-V74 PolarHBondContact O-N 3.24Å
75	K	30.4	Very low	47.1	Very low	187 Å²	187	104 Å²	104	81%	0.813	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-59.7	140	166.2	-80.5	178.7	175.5	174.3	0	108.9	T73 D77	T73-K75 PolarHBondContact O-N 2.84Å; T73-K75 VanDerWaalsContact O-N 3.12Å; K75-D77 PolarHBondContact O-N 3.11Å
76	P	34.7	Very low	50.4	Low	125 Å²	125	97.8 Å²	97.8	81%	0.812	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-61.5	133.9	172.2	26.2	-30.9	0	0	0	109
77	D	36.7	Very low	53.7	Low	124 Å²	124	88.5 Å²	88.5	66%	0.663	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-49.6	135.7	-175.3	-155.6	9.7	0	0	0	112.2	K75 S79	K75-D77 PolarHBondContact O-N 3.11Å; D77-S79 PolarHBondContact O-N 3.22Å
78	S	42	Very low	56.9	Low	110 Å²	110	84 Å²	84	77%	0.769	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-71	1.9	-173.9	55.3	0	0	0	0	114.5
79	S	51	Low	59.8	Low	73 Å²	73	76.7 Å²	76.7	51%	0.51	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-75.7	-16	-176.9	63.2	0	0	0	0	114.4	D77 K81	D77-S79 PolarHBondContact O-N 3.22Å; S79-K81 PolarHBondContact O-N 3.18Å
80	S	57.4	Low	63	Low	54 Å²	54	73.5 Å²	73.5	38%	0.378	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-76	-22.7	-174.7	68	0	0	0	0	115.2	S82 P111	S80-S82 VanDerWaalsContact C-N 3.3Å; S80-S82 PolarHBondContact O-N 3.42Å; S80-P111 CarbonylContact O-C 3.56Å
81	K	62.7	Low	66.2	Low	164 Å²	164	69.4 Å²	69.4	71%	0.713	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-79	-10	-176.8	-71.4	-172.3	177.7	-177.5	0	114.4	S79 G112 Y161	S79-K81 PolarHBondContact O-N 3.18Å; K81-G112 WeakPolarHBondContact O-CA 3.44Å; K81-Y161 WeakPolarHBondContact O-CE1 2.95Å
82	S	82	Confident	69.1	Low	57 Å²	57	66.2 Å²	66.2	40%	0.399	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-117.4	26.4	-174.2	-82.9	0	0	0	0	112.9	S80 K160 Y161	S80-S82 VanDerWaalsContact C-N 3.3Å; S80-S82 PolarHBondContact O-N 3.42Å; S82-K160 WeakPolarHBondContact CB-O 3.49Å; S82-K160 PolarHBondContact OG-O 3.04Å; S82-Y161 WeakPolarHBondContact O-CA 3.38Å
83	F	94.1	Very high	72.1	Confident	4 Å²	4	67.7 Å²	67.7	2%	0.018	38%	0.377	C	S	.	.	S	Bend	trans	-88.9	-56.4	-173.6	179.1	-106	0	0	0	113	P111 E162 W163 E179 L182 R183	F83-P111 WeakPolarHBondContact CB-O 3.36Å; F83-P111 HydrophobicContact CD1-CB 4.48Å; F83-P111 HydrophobicContact CD1-CG 3.89Å; F83-E162 PolarHBondContact O-N 3.22Å; F83-W163 AromaticContact CE2-CD1 3.77Å; F83-W163 AromaticContact CE2-NE1 4Å; F83-W163 AromaticContact CZ-CD1 3.83Å; F83-W163 PolarHBondContact O-N 2.87Å; F83-W163 VanDerWaalsContact O-N 3.13Å; F83-E179 HydrophobicContact CD1-CG 4.26Å; F83-E179 HydrophobicContact CE1-CB 4.35Å; F83-E179 HydrophobicContact CE1-CG 3.88Å; F83-E179 HydrophobicContact CZ-CG 4.5Å; F83-L182 HydrophobicContact CE1-CB 4.06Å; F83-L182 HydrophobicContact CE1-CD1 4.41Å; F83-L182 HydrophobicContact CZ-CB 3.67Å; F83-R183 HydrophobicContact CE1-CG 4.4Å; F83-R183 HydrophobicContact CE2-CG 3.77Å; F83-R183 HydrophobicContact CZ-CG 3.57Å
84	L	96.1	Very high	75	Confident	1 Å²	1	64 Å²	64	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.8	-175	177	64.2	0	0	0	112.8	V86 I110 P111 G112 R113 W163 M165 L178 L182	L84-V86 HydrophobicContact CD1-CG2 4.45Å; L84-V86 HydrophobicContact CD2-CG2 3.83Å; L84-V86 HydrophobicContact CG-CG2 3.83Å; L84-I110 HydrophobicContact CB-CG2 4.44Å; L84-I110 HydrophobicContact CD2-CD1 4.31Å; L84-I110 HydrophobicContact CD2-CG2 4.09Å; L84-I110 HydrophobicContact CG-CG2 4.36Å; L84-P111 PolarHBondContact N-O 2.58Å; L84-G112 VanDerWaalsContact O-CA 3.3Å; L84-G112 WeakPolarHBondContact O-CA 3.46Å; L84-R113 PolarHBondContact O-N 3.49Å; L84-W163 HydrophobicContact CD1-CB 3.63Å; L84-M165 HydrophobicContact CD1-CB 4.14Å; L84-L178 HydrophobicContact CD2-CD2 3.51Å; L84-L178 HydrophobicContact CD2-CG 4.16Å; L84-L182 HydrophobicContact CD1-CD1 4.2Å; L84-L182 HydrophobicContact CD2-CD1 4.45Å
85	F	97.6	Very high	78	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124.2	166.3	-167.9	-71.3	0	0	0	110.5	R113 E115 F117 M153 Y157 Y161 W163 F164 M165	F85-R113 CarbonylContact C-O 3.57Å; F85-R113 WeakPolarHBondContact CA-O 3.37Å; F85-R113 HydrophobicContact CD2-CB 4.11Å; F85-R113 HydrophobicContact CD2-CG 4.35Å; F85-R113 HydrophobicContact CE2-CB 4.3Å; F85-R113 HydrophobicContact CE2-CG 4.03Å; F85-E115 HydrophobicContact CE1-CB 4.46Å; F85-E115 HydrophobicContact CZ-CB 4.06Å; F85-E115 HydrophobicContact CZ-CG 4.01Å; F85-E115 WeakPolarHBondContact CZ-OE2 3.11Å; F85-F117 HydrophobicContact CE1-CE2 4.23Å; F85-F117 HydrophobicContact CE1-CZ 4.35Å; F85-F117 HydrophobicContact CZ-CZ 4.48Å; F85-M153 HydrophobicContact CD1-CE 3.58Å; F85-M153 HydrophobicContact CD1-CG 3.86Å; F85-M153 HydrophobicContact CD1-SD 4.05Å; F85-M153 HydrophobicContact CE1-CE 4.16Å; F85-M153 HydrophobicContact CE1-CG 3.53Å; F85-M153 HydrophobicContact CE1-SD 4.02Å; F85-M153 HydrophobicContact CG-CE 4.47Å; F85-M153 HydrophobicContact CZ-CG 4.3Å; F85-Y157 HydrophobicContact CD2-CD1 4.27Å; F85-Y157 AromaticContact CD2-CD2 3.89Å; F85-Y157 HydrophobicContact CD2-CD2 3.89Å; F85-Y157 HydrophobicContact CD2-CE2 4.36Å; F85-Y157 AromaticContact CD2-CG 3.82Å; F85-Y157 HydrophobicContact CD2-CG 3.82Å; F85-Y157 HydrophobicContact CE2-CD1 4.01Å; F85-Y157 AromaticContact CE2-CD2 3.21Å; F85-Y157 HydrophobicContact CE2-CD2 3.21Å; F85-Y157 HydrophobicContact CE2-CE1 4.13Å; F85-Y157 AromaticContact CE2-CE2 3.32Å; F85-Y157 HydrophobicContact CE2-CE2 3.32Å; F85-Y157 AromaticContact CE2-CG 3.57Å; F85-Y157 HydrophobicContact CE2-CG 3.57Å; F85-Y157 AromaticContact CE2-CZ 3.79Å; F85-Y157 AromaticContact CZ-CD2 3.65Å; F85-Y157 HydrophobicContact CZ-CD2 3.65Å; F85-Y157 AromaticContact CZ-CE2 3.63Å; F85-Y157 HydrophobicContact CZ-CE2 3.63Å; F85-Y157 HydrophobicContact CZ-CG 4.41Å; F85-Y161 HydrophobicContact CB-CD1 4.15Å; F85-Y161 HydrophobicContact CB-CD2 3.99Å; F85-Y161 HydrophobicContact CB-CE2 4.46Å; F85-Y161 HydrophobicContact CB-CG 3.82Å; F85-Y161 AromaticContact CD2-CD2 3.93Å; F85-Y161 HydrophobicContact CD2-CD2 3.93Å; F85-Y161 AromaticContact CD2-CE2 3.7Å; F85-Y161 HydrophobicContact CD2-CE2 3.7Å; F85-Y161 HydrophobicContact CG-CD2 4.45Å; F85-W163 PolarHBondContact N-O 2.8Å; F85-F164 HydrophobicContact CB-CD1 3.84Å; F85-F164 HydrophobicContact CB-CE1 4.03Å; F85-F164 HydrophobicContact CG-CD1 4.42Å; F85-F164 CarbonylContact O-C 3.58Å; F85-F164 VanDerWaalsContact O-CA 3.31Å; F85-F164 WeakPolarHBondContact O-CA 3.33Å; F85-M165 PolarHBondContact O-N 3.37Å
86	V	98	Very high	81	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	115.5	176.7	-171.5	0	0	0	0	110.1	L84 V88 W106 I110 R113 V114 E115 M165 A167 I173	L84-V86 HydrophobicContact CD1-CG2 4.45Å; L84-V86 HydrophobicContact CD2-CG2 3.83Å; L84-V86 HydrophobicContact CG-CG2 3.83Å; V86-V88 HydrophobicContact CG1-CG2 4.08Å; V86-W106 HydrophobicContact CG1-CH2 4.28Å; V86-W106 HydrophobicContact CG1-CZ3 4.35Å; V86-I110 HydrophobicContact CG2-CD1 4.33Å; V86-I110 HydrophobicContact CG2-CG1 4.45Å; V86-I110 HydrophobicContact CG2-CG2 4.04Å; V86-R113 PolarHBondContact N-O 2.96Å; V86-V114 HydrophobicContact CB-CG1 4.24Å; V86-V114 HydrophobicContact CB-CG2 4.11Å; V86-V114 HydrophobicContact CG2-CG2 4.34Å; V86-V114 WeakPolarHBondContact O-CA 3.36Å; V86-E115 PolarHBondContact O-N 3.35Å; V86-M165 CarbonylContact C-O 3.54Å; V86-M165 WeakPolarHBondContact CA-O 3.27Å; V86-M165 HydrophobicContact CG1-CB 4.27Å; V86-M165 HydrophobicContact CG1-CG 4.34Å; V86-M165 HydrophobicContact CG2-CB 4.2Å; V86-A167 HydrophobicContact CG1-CB 4.05Å; V86-I173 HydrophobicContact CG1-CD1 4.39Å
87	G	97.9	Very high	83.8	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	113.6	167	0	0	0	0	0	110.3	M165 A167	G87-M165 PolarHBondContact N-O 3.24Å; G87-A167 PolarHBondContact O-N 2.66Å
88	V	97.5	Very high	86.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	112	176.9	-175.1	0	0	0	0	109	V86 W106 V114 E115 F116 F117 A167 D169	V86-V88 HydrophobicContact CG1-CG2 4.08Å; V88-W106 HydrophobicContact CG2-CH2 3.66Å; V88-W106 HydrophobicContact CG2-CZ2 4.28Å; V88-V114 HydrophobicContact CG2-CG1 3.67Å; V88-E115 PolarHBondContact N-O 3.45Å; V88-F116 HydrophobicContact CB-CD1 3.67Å; V88-F116 HydrophobicContact CB-CE1 3.85Å; V88-F116 HydrophobicContact CB-CG 4.32Å; V88-F116 HydrophobicContact CG1-CD1 3.7Å; V88-F116 HydrophobicContact CG1-CE1 3.71Å; V88-F116 HydrophobicContact CG2-CD1 4.34Å; V88-F116 HydrophobicContact CG2-CE1 4.08Å; V88-F116 HydrophobicContact CG2-CZ 4.43Å; V88-F116 CarbonylContact O-C 3.49Å; V88-F116 WeakPolarHBondContact O-CA 3.29Å; V88-F117 PolarHBondContact O-N 3.47Å; V88-A167 CarbonylContact C-O 3.47Å; V88-A167 WeakPolarHBondContact CA-O 3.4Å; V88-A167 HydrophobicContact CG2-CB 4.43Å; V88-D169 HydrophobicContact CG1-CB 4.38Å
89	M	95.2	Very high	89.2	Confident	14 Å²	14	40.6 Å²	40.6	7%	0.069	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	128.2	177.6	-169	176.1	61	0	0	110.3	P142 K145 M149 A167 D168 D169	M89-P142 HydrophobicContact CE-CB 4.18Å; M89-P142 HydrophobicContact CE-CG 3.54Å; M89-P142 HydrophobicContact SD-CB 3.9Å; M89-P142 HydrophobicContact SD-CG 3.9Å; M89-K145 HydrophobicContact CG-CD 3.51Å; M89-K145 HydrophobicContact CG-CG 4Å; M89-K145 HydrophobicContact SD-CB 4.26Å; M89-K145 HydrophobicContact SD-CD 3.87Å; M89-K145 HydrophobicContact SD-CG 4.01Å; M89-M149 HydrophobicContact CB-SD 4.39Å; M89-A167 PolarHBondContact N-O 3.43Å; M89-D168 WeakPolarHBondContact CE-OD1 3.21Å; M89-D169 PolarHBondContact O-N 2.86Å
90	T	94.9	Very high	91.3	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.031	19%	0.192	C	C	.	.			trans	-143.6	-175.8	-178.7	-173.8	0	0	0	0	110.8	L95 F116 F117 K145 D169	T90-L95 HydrophobicContact CG2-CD2 3.5Å; T90-L95 HydrophobicContact CG2-CG 4.48Å; T90-F116 HydrophobicContact CG2-CB 4.22Å; T90-F117 WeakPolarHBondContact CG2-O 3.46Å; T90-F117 PolarHBondContact N-O 3.32Å; T90-K145 PolarHBondContact O-NZ 3.39Å; T90-D169 PolarHBondContact OG1-OD2 2.93Å
91	A	94.2	Very high	93.1	Very high	11 Å²	11	35.3 Å²	35.3	9%	0.091	17%	0.174	C	C	.	.			trans	-135.3	160.2	175.8	0	0	0	0	0	109.9	K93 Y94 L95 D138	A91-K93 HydrophobicContact CB-CG 4.27Å; A91-K93 PolarHBondContact O-N 2.73Å; A91-K93 VanDerWaalsContact O-N 3.08Å; A91-Y94 HydrophobicContact CB-CD2 4.3Å; A91-Y94 PolarHBondContact O-N 2.83Å; A91-L95 PolarHBondContact O-N 3.36Å; A91-D138 HydrophobicContact CB-CB 4.05Å
92	Q	93.3	Very high	94.7	Very high	68 Å²	68	27.5 Å²	27.5	32%	0.318	14%	0.14	S	C	.	.	H	α-helix	trans	-49.6	-43.4	-178.1	173.4	58.4	14.3	0	0	112.3	Y94 L95 S118 D138	Q92-Y94 PolarHBondContact O-N 3.24Å; Q92-L95 PolarHBondContact O-N 2.86Å; Q92-L95 VanDerWaalsContact OE1-CD1 3.26Å; Q92-S118 PolarHBondContact N-OG 2.91Å; Q92-D138 WeakPolarHBondContact CB-OD2 3.26Å; Q92-D138 PolarHBondContact N-OD2 2.62Å
93	K	93.6	Very high	95.4	Very high	148 Å²	148	26.7 Å²	26.7	64%	0.643	13%	0.13	S	C	*	.	H	α-helix	trans	-64.2	-19.5	179.5	65.1	179.4	173.5	179.6	0	114.9	A91	A91-K93 HydrophobicContact CB-CG 4.27Å; A91-K93 PolarHBondContact O-N 2.73Å; A91-K93 VanDerWaalsContact O-N 3.08Å
94	Y	94.9	Very high	95.4	Very high	64 Å²	64	34.2 Å²	34.2	25%	0.251	16%	0.158	S	C	.	.	H	α-helix	trans	-107.5	-5.6	-176.7	-61.9	-43.9	0	0	0	114.1	A91 Q92 N96 S97 R98 A99 D169	A91-Y94 HydrophobicContact CB-CD2 4.3Å; A91-Y94 PolarHBondContact O-N 2.83Å; Q92-Y94 PolarHBondContact O-N 3.24Å; Y94-N96 PolarHBondContact O-N 2.74Å; Y94-S97 PolarHBondContact O-N 3.48Å; Y94-S97 VanDerWaalsContact O-N 3.15Å; Y94-S97 PolarHBondContact O-OG 2.99Å; Y94-R98 HydrophobicContact CD1-CG 4.42Å; Y94-R98 PolarHBondContact O-N 3.43Å; Y94-A99 PolarHBondContact O-N 2.94Å; Y94-D169 VanDerWaalsContact CB-OD2 3.23Å; Y94-D169 WeakPolarHBondContact CB-OD2 3.24Å; Y94-D169 VanDerWaalsContact CD2-OD2 3.22Å; Y94-D169 WeakPolarHBondContact CD2-OD2 3.27Å
95	L	94.5	Very high	95.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.159	C	C	.	.	I	π-helix	trans	-58.6	-49.6	178.8	-68.3	173.3	0	0	0	112.1	T90 A91 Q92 S97 A99 V100 I126 I130	T90-L95 HydrophobicContact CG2-CD2 3.5Å; T90-L95 HydrophobicContact CG2-CG 4.48Å; A91-L95 PolarHBondContact O-N 3.36Å; Q92-L95 PolarHBondContact O-N 2.86Å; Q92-L95 VanDerWaalsContact OE1-CD1 3.26Å; L95-S97 PolarHBondContact O-N 2.71Å; L95-A99 HydrophobicContact CD2-CB 4.31Å; L95-V100 VanDerWaalsContact O-CG2 3.3Å; L95-V100 WeakPolarHBondContact O-CG2 3.27Å; L95-V100 PolarHBondContact O-N 3.44Å; L95-I126 HydrophobicContact CB-CD1 3.43Å; L95-I126 VanDerWaalsContact CB-CD1 3.43Å; L95-I126 HydrophobicContact CD1-CD1 4.27Å; L95-I126 HydrophobicContact CG-CD1 4.47Å; L95-I130 HydrophobicContact CD1-CD1 4.17Å; L95-I130 HydrophobicContact CD2-CD1 4.01Å; L95-I130 HydrophobicContact CD2-CG1 4.16Å; L95-I130 HydrophobicContact CD2-CG2 4.42Å
96	N	93.4	Very high	95.3	Very high	110 Å²	110	34.3 Å²	34.3	59%	0.588	16%	0.159	S	C	*	.	I	π-helix	trans	-76.5	-0	179.1	-78.4	-40.2	0	0	0	115	Y94 I126	Y94-N96 PolarHBondContact O-N 2.74Å; N96-I126 WeakPolarHBondContact OD1-CD1 3.34Å; N96-I126 VanDerWaalsContact OD1-CG1 3.24Å; N96-I126 WeakPolarHBondContact OD1-CG1 3.41Å
97	S	93.7	Very high	95.2	Very high	43 Å²	43	34.7 Å²	34.7	30%	0.301	16%	0.162	S	C	.	.	I	π-helix	trans	-125.6	-85	-176.5	59.4	0	0	0	0	112.2	Y94 L95 A101	Y94-S97 PolarHBondContact O-N 3.48Å; Y94-S97 VanDerWaalsContact O-N 3.15Å; Y94-S97 PolarHBondContact O-OG 2.99Å; L95-S97 PolarHBondContact O-N 2.71Å; S97-A101 WeakPolarHBondContact O-CB 3.15Å; S97-A101 PolarHBondContact O-N 3.18Å; S97-A101 VanDerWaalsContact O-N 3.11Å
98	R	94.9	Very high	94.9	Very high	36 Å²	36	40.4 Å²	40.4	14%	0.136	19%	0.189	C	C	.	.	I	π-helix	trans	-67.7	-42.9	-175.8	-61.4	-176.9	-173.1	164.9	8	112.5	Y94 A101 A102 D169 K304 P306	Y94-R98 HydrophobicContact CD1-CG 4.42Å; Y94-R98 PolarHBondContact O-N 3.43Å; R98-A101 PolarHBondContact O-N 3.12Å; R98-A101 VanDerWaalsContact O-N 3.14Å; R98-A102 PolarHBondContact O-N 3.13Å; R98-D169 HydrophobicContact CB-CB 4.14Å; R98-D169 WeakPolarHBondContact CD-OD1 3.42Å; R98-D169 IonicContact CZ-OD1 3.38Å; R98-D169 IonicContact NH1-OD1 3.01Å; R98-D169 PolarHBondContact NH1-OD1 3.03Å; R98-D169 VanDerWaalsContact NH1-OD1 3.08Å; R98-K304 PolarHBondContact NE-O 2.9Å; R98-K304 VanDerWaalsContact NE-O 3.16Å; R98-P306 HydrophobicContact CG-CG 4.29Å
99	A	95.9	Very high	94.7	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.211	C	C	.	.	I	π-helix	trans	-64.3	-45.7	-178.8	0	0	0	0	0	111.6	Y94 L95 A101 A102 H103 F116 I128	Y94-A99 PolarHBondContact O-N 2.94Å; L95-A99 HydrophobicContact CD2-CB 4.31Å; A99-A101 VanDerWaalsContact C-N 3.29Å; A99-A101 PolarHBondContact O-N 3.38Å; A99-A102 PolarHBondContact O-N 3.32Å; A99-H103 WeakPolarHBondContact O-CB 3.29Å; A99-H103 PolarHBondContact O-N 3.01Å; A99-F116 HydrophobicContact CB-CD1 3.65Å; A99-F116 HydrophobicContact CB-CE1 3.92Å; A99-F116 HydrophobicContact CB-CG 4.39Å; A99-F116 WeakPolarHBondContact O-CE1 3.41Å; A99-I128 HydrophobicContact CB-CD1 3.67Å
100	V	94.8	Very high	94.7	Very high	15 Å²	15	44 Å²	44	9%	0.091	21%	0.211	C	C	.	.	H	α-helix	trans	-58.1	-41.6	172	168.4	0	0	0	0	111.5	L95 H103 R104 I126 I128	L95-V100 VanDerWaalsContact O-CG2 3.3Å; L95-V100 WeakPolarHBondContact O-CG2 3.27Å; L95-V100 PolarHBondContact O-N 3.44Å; V100-H103 PolarHBondContact O-N 3.44Å; V100-R104 HydrophobicContact CG1-CG 4.23Å; V100-R104 WeakPolarHBondContact O-CB 3.33Å; V100-R104 WeakPolarHBondContact O-CG 3.43Å; V100-R104 PolarHBondContact O-N 3.35Å; V100-I126 HydrophobicContact CG2-CG2 3.87Å; V100-I128 HydrophobicContact CG2-CD1 4.25Å; V100-I128 HydrophobicContact CG2-CG2 4.03Å
101	A	95.3	Very high	94.6	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-66.9	-42.6	178.9	0	0	0	0	0	112.8	S97 R98 A99 T105 P306 Q309 Y310	S97-A101 WeakPolarHBondContact O-CB 3.15Å; S97-A101 PolarHBondContact O-N 3.18Å; S97-A101 VanDerWaalsContact O-N 3.11Å; R98-A101 PolarHBondContact O-N 3.12Å; R98-A101 VanDerWaalsContact O-N 3.14Å; A99-A101 VanDerWaalsContact C-N 3.29Å; A99-A101 PolarHBondContact O-N 3.38Å; A101-T105 WeakPolarHBondContact O-CB 3.43Å; A101-T105 VanDerWaalsContact O-CG2 3.3Å; A101-T105 WeakPolarHBondContact O-CG2 3.41Å; A101-T105 PolarHBondContact O-N 3.35Å; A101-T105 PolarHBondContact O-OG1 2.96Å; A101-P306 HydrophobicContact CB-CB 3.88Å; A101-Q309 HydrophobicContact CB-CB 4.25Å; A101-Q309 HydrophobicContact CB-CG 4.03Å; A101-Y310 WeakPolarHBondContact CA-OH 3.36Å; A101-Y310 HydrophobicContact CB-CE2 3.9Å
102	A	96.8	Very high	94.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-44.9	171.7	0	0	0	0	0	111.3	R98 A99 R104 T105 W106 A107 F116	R98-A102 PolarHBondContact O-N 3.13Å; A99-A102 PolarHBondContact O-N 3.32Å; A102-R104 PolarHBondContact O-N 2.96Å; A102-T105 PolarHBondContact O-N 3.13Å; A102-T105 PolarHBondContact O-OG1 3.33Å; A102-W106 HydrophobicContact CB-CZ2 3.95Å; A102-W106 PolarHBondContact O-N 2.67Å; A102-A107 WeakPolarHBondContact O-CB 3.49Å; A102-A107 PolarHBondContact O-N 3.47Å; A102-A107 VanDerWaalsContact O-N 3.17Å; A102-F116 HydrophobicContact CB-CE1 4.05Å; A102-F116 HydrophobicContact CB-CZ 4.22Å
103	H	96.4	Very high	94.6	Very high	40 Å²	40	47.4 Å²	47.4	19%	0.185	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-47	178.8	-178.5	-85.4	0	0	0	112.7	A99 V100 T105 Q108 F116 I128 P129	A99-H103 WeakPolarHBondContact O-CB 3.29Å; A99-H103 PolarHBondContact O-N 3.01Å; V100-H103 PolarHBondContact O-N 3.44Å; H103-T105 PolarHBondContact O-N 3.14Å; H103-Q108 PolarHBondContact CE1-NE2 3.45Å; H103-Q108 PolarHBondContact ND1-NE2 3.14Å; H103-Q108 PolarHBondContact NE2-NE2 3.11Å; H103-Q108 VanDerWaalsContact NE2-NE2 3.15Å; H103-Q108 VanDerWaalsContact O-CG 3.3Å; H103-Q108 WeakPolarHBondContact O-CG 3.44Å; H103-Q108 PolarHBondContact O-NE2 2.81Å; H103-F116 HydrophobicContact CB-CE2 3.9Å; H103-F116 HydrophobicContact CB-CZ 3.82Å; H103-F116 AromaticContact CD2-CE2 3.9Å; H103-I128 HydrophobicContact CB-CB 4.28Å; H103-I128 HydrophobicContact CB-CG2 3.68Å; H103-P129 WeakPolarHBondContact CD2-CD 3.38Å; H103-P129 WeakPolarHBondContact NE2-CD 3.33Å
104	R	94.9	Very high	94.8	Very high	162 Å²	162	41.1 Å²	41.1	61%	0.611	20%	0.204	S	C	*	.	H	α-helix	trans	-76.4	-7.2	-178.8	-70.9	-178	179.2	177.8	1	113.9	V100 A102 Y310	V100-R104 HydrophobicContact CG1-CG 4.23Å; V100-R104 WeakPolarHBondContact O-CB 3.33Å; V100-R104 WeakPolarHBondContact O-CG 3.43Å; V100-R104 PolarHBondContact O-N 3.35Å; A102-R104 PolarHBondContact O-N 2.96Å; R104-Y310 HydrophobicContact CB-CE1 3.99Å
105	T	95.2	Very high	95	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.018	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-102.2	-179.1	56.9	0	0	0	0	111.2	A101 A102 H103 A107 Q309 Y310 H313	A101-T105 WeakPolarHBondContact O-CB 3.43Å; A101-T105 VanDerWaalsContact O-CG2 3.3Å; A101-T105 WeakPolarHBondContact O-CG2 3.41Å; A101-T105 PolarHBondContact O-N 3.35Å; A101-T105 PolarHBondContact O-OG1 2.96Å; A102-T105 PolarHBondContact O-N 3.13Å; A102-T105 PolarHBondContact O-OG1 3.33Å; H103-T105 PolarHBondContact O-N 3.14Å; T105-A107 PolarHBondContact O-N 2.79Å; T105-Q309 HydrophobicContact CG2-CG 4.23Å; T105-Q309 PolarHBondContact OG1-NE2 3.47Å; T105-Y310 HydrophobicContact CG2-CD1 3.68Å; T105-Y310 HydrophobicContact CG2-CE1 3.95Å; T105-H313 HydrophobicContact CG2-CB 3.63Å
106	W	95.4	Very high	95.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-29.4	-171	59.7	-100.9	0	0	0	113.8	V86 V88 A102 Q108 T109 I110 V114 V171 Y172 I173 S175	V86-W106 HydrophobicContact CG1-CH2 4.28Å; V86-W106 HydrophobicContact CG1-CZ3 4.35Å; V88-W106 HydrophobicContact CG2-CH2 3.66Å; V88-W106 HydrophobicContact CG2-CZ2 4.28Å; A102-W106 HydrophobicContact CB-CZ2 3.95Å; A102-W106 PolarHBondContact O-N 2.67Å; W106-Q108 VanDerWaalsContact C-N 3.27Å; W106-Q108 PolarHBondContact O-N 2.7Å; W106-T109 PolarHBondContact O-N 2.86Å; W106-T109 PolarHBondContact O-OG1 2.7Å; W106-I110 HydrophobicContact CE3-CD1 4.37Å; W106-I110 HydrophobicContact CE3-CG1 4.08Å; W106-I110 HydrophobicContact CZ3-CG1 4.19Å; W106-V114 HydrophobicContact CH2-CG1 4.41Å; W106-V114 HydrophobicContact CZ3-CG1 4.32Å; W106-V114 HydrophobicContact CZ3-CG2 4.46Å; W106-V171 HydrophobicContact CZ2-CG1 4.13Å; W106-V171 PolarHBondContact NE1-O 3.04Å; W106-Y172 HydrophobicContact CB-CE1 4.36Å; W106-Y172 HydrophobicContact CB-CE2 4.33Å; W106-Y172 AromaticContact CD1-CD2 3.83Å; W106-I173 WeakPolarHBondContact CB-O 3.38Å; W106-I173 HydrophobicContact CD2-CB 3.95Å; W106-I173 HydrophobicContact CD2-CD1 4.47Å; W106-I173 HydrophobicContact CD2-CG1 4.09Å; W106-I173 HydrophobicContact CE3-CB 3.81Å; W106-I173 HydrophobicContact CE3-CD1 3.96Å; W106-I173 HydrophobicContact CE3-CG1 3.99Å; W106-I173 HydrophobicContact CG-CB 4.31Å; W106-I173 HydrophobicContact CH2-CD1 3.64Å; W106-I173 HydrophobicContact CH2-CG1 4.18Å; W106-I173 HydrophobicContact CZ2-CD1 4.16Å; W106-I173 HydrophobicContact CZ2-CG1 4.24Å; W106-I173 HydrophobicContact CZ3-CB 4.31Å; W106-I173 HydrophobicContact CZ3-CD1 3.54Å; W106-I173 HydrophobicContact CZ3-CG1 4.06Å; W106-S175 PolarHBondContact O-OG 2.94Å
107	A	96	Very high	95.3	Very high	8 Å²	8	33.6 Å²	33.6	7%	0.066	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-61	-34.4	-172.7	0	0	0	0	0	113.3	A102 T105 T109 I110 V114	A102-A107 WeakPolarHBondContact O-CB 3.49Å; A102-A107 PolarHBondContact O-N 3.47Å; A102-A107 VanDerWaalsContact O-N 3.17Å; T105-A107 PolarHBondContact O-N 2.79Å; A107-T109 PolarHBondContact O-N 2.72Å; A107-I110 PolarHBondContact O-N 3.33Å; A107-V114 HydrophobicContact CB-CB 4.18Å; A107-V114 HydrophobicContact CB-CG1 4.01Å; A107-V114 HydrophobicContact CB-CG2 4.12Å
108	Q	92.1	Very high	95.4	Very high	120 Å²	120	31.6 Å²	31.6	56%	0.561	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-64.1	-21.4	177.3	-61.5	-52	-47.2	0	0	113.7	H103 W106	H103-Q108 PolarHBondContact CE1-NE2 3.45Å; H103-Q108 PolarHBondContact ND1-NE2 3.14Å; H103-Q108 PolarHBondContact NE2-NE2 3.11Å; H103-Q108 VanDerWaalsContact NE2-NE2 3.15Å; H103-Q108 VanDerWaalsContact O-CG 3.3Å; H103-Q108 WeakPolarHBondContact O-CG 3.44Å; H103-Q108 PolarHBondContact O-NE2 2.81Å; W106-Q108 VanDerWaalsContact C-N 3.27Å; W106-Q108 PolarHBondContact O-N 2.7Å
109	T	92.8	Very high	95.3	Very high	77 Å²	77	30.6 Å²	30.6	47%	0.472	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-96.9	-1.3	-172.7	64.6	0	0	0	0	113.1	W106 A107 S175	W106-T109 PolarHBondContact O-N 2.86Å; W106-T109 PolarHBondContact O-OG1 2.7Å; A107-T109 PolarHBondContact O-N 2.72Å; T109-S175 WeakPolarHBondContact O-CB 3.46Å; T109-S175 WeakPolarHBondContact OG1-CB 3.33Å; T109-S175 PolarHBondContact OG1-OG 3.16Å
110	I	95.1	Very high	95	Very high	13 Å²	13	35.3 Å²	35.3	7%	0.067	17%	0.174	C	C	.	.	S	Bend	trans	-72.5	130.2	179.6	-68.2	-71.5	0	0	0	109.5	L84 V86 W106 A107 G112 V114 I173 S175 L178	L84-I110 HydrophobicContact CB-CG2 4.44Å; L84-I110 HydrophobicContact CD2-CD1 4.31Å; L84-I110 HydrophobicContact CD2-CG2 4.09Å; L84-I110 HydrophobicContact CG-CG2 4.36Å; V86-I110 HydrophobicContact CG2-CD1 4.33Å; V86-I110 HydrophobicContact CG2-CG1 4.45Å; V86-I110 HydrophobicContact CG2-CG2 4.04Å; W106-I110 HydrophobicContact CE3-CD1 4.37Å; W106-I110 HydrophobicContact CE3-CG1 4.08Å; W106-I110 HydrophobicContact CZ3-CG1 4.19Å; A107-I110 PolarHBondContact O-N 3.33Å; I110-G112 PolarHBondContact O-N 3.19Å; I110-V114 HydrophobicContact CB-CG2 3.84Å; I110-V114 HydrophobicContact CG1-CG2 3.83Å; I110-V114 HydrophobicContact CG2-CG2 4.07Å; I110-I173 HydrophobicContact CD1-CG2 4.11Å; I110-S175 VanDerWaalsContact CD1-OG 3.28Å; I110-S175 WeakPolarHBondContact CD1-OG 3.49Å; I110-L178 HydrophobicContact CD1-CD2 4.4Å
111	P	92.9	Very high	94.7	Very high	19 Å²	19	38.1 Å²	38.1	12%	0.123	21%	0.207	C	C	.	.	S	Bend	trans	-73.5	74.2	173.4	33.1	-39.2	0	0	0	110.6	S80 F83 L84 E179	S80-P111 CarbonylContact O-C 3.56Å; F83-P111 WeakPolarHBondContact CB-O 3.36Å; F83-P111 HydrophobicContact CD1-CB 4.48Å; F83-P111 HydrophobicContact CD1-CG 3.89Å; L84-P111 PolarHBondContact N-O 2.58Å; P111-E179 HydrophobicContact CG-CB 4Å; P111-E179 HydrophobicContact CG-CG 3.91Å; P111-E179 WeakPolarHBondContact CG-OE2 3.23Å
112	G	93.6	Very high	94.5	Very high	30 Å²	30	38.6 Å²	38.6	31%	0.309	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	157.3	-133.6	-178	0	0	0	0	0	112.4	K81 L84 I110	K81-G112 WeakPolarHBondContact O-CA 3.44Å; L84-G112 VanDerWaalsContact O-CA 3.3Å; L84-G112 WeakPolarHBondContact O-CA 3.46Å; I110-G112 PolarHBondContact O-N 3.19Å
113	R	95.5	Very high	94.2	Very high	107 Å²	107	41.4 Å²	41.4	40%	0.404	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.2	-176.4	-178.4	173.8	-68	-163.8	-4.6	111.8	L84 F85 V86 E115 Y157 Y161	L84-R113 PolarHBondContact O-N 3.49Å; F85-R113 CarbonylContact C-O 3.57Å; F85-R113 WeakPolarHBondContact CA-O 3.37Å; F85-R113 HydrophobicContact CD2-CB 4.11Å; F85-R113 HydrophobicContact CD2-CG 4.35Å; F85-R113 HydrophobicContact CE2-CB 4.3Å; F85-R113 HydrophobicContact CE2-CG 4.03Å; V86-R113 PolarHBondContact N-O 2.96Å; R113-E115 VanDerWaalsContact CD-OE1 3.32Å; R113-E115 WeakPolarHBondContact CD-OE1 3.49Å; R113-E115 HydrophobicContact CG-CG 4.15Å; R113-E115 IonicContact NH1-OE1 3.49Å; R113-Y157 PolarHBondContact NH1-OH 2.85Å; R113-Y161 HydrophobicContact CB-CE1 4.18Å; R113-Y161 WeakPolarHBondContact CB-OH 3.41Å
114	V	97.5	Very high	93.9	Very high	16 Å²	16	43.8 Å²	43.8	10%	0.097	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.2	173.5	-172.8	0	0	0	0	108.4	V86 V88 W106 A107 I110 F116 P129	V86-V114 HydrophobicContact CB-CG1 4.24Å; V86-V114 HydrophobicContact CB-CG2 4.11Å; V86-V114 HydrophobicContact CG2-CG2 4.34Å; V86-V114 WeakPolarHBondContact O-CA 3.36Å; V88-V114 HydrophobicContact CG2-CG1 3.67Å; W106-V114 HydrophobicContact CH2-CG1 4.41Å; W106-V114 HydrophobicContact CZ3-CG1 4.32Å; W106-V114 HydrophobicContact CZ3-CG2 4.46Å; A107-V114 HydrophobicContact CB-CB 4.18Å; A107-V114 HydrophobicContact CB-CG1 4.01Å; A107-V114 HydrophobicContact CB-CG2 4.12Å; I110-V114 HydrophobicContact CB-CG2 3.84Å; I110-V114 HydrophobicContact CG1-CG2 3.83Å; I110-V114 HydrophobicContact CG2-CG2 4.07Å; V114-F116 HydrophobicContact CG1-CE2 4.19Å; V114-F116 HydrophobicContact CG1-CZ 4.37Å; V114-P129 WeakPolarHBondContact O-CG 3.27Å
115	E	97.8	Very high	93.7	Very high	16 Å²	16	40.7 Å²	40.7	8%	0.075	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.8	175.4	-72.3	-178.7	-178.4	0	0	110	F85 V86 V88 R113 F117 P129 V131 Y152 Y157	F85-E115 HydrophobicContact CE1-CB 4.46Å; F85-E115 HydrophobicContact CZ-CB 4.06Å; F85-E115 HydrophobicContact CZ-CG 4.01Å; F85-E115 WeakPolarHBondContact CZ-OE2 3.11Å; V86-E115 PolarHBondContact O-N 3.35Å; V88-E115 PolarHBondContact N-O 3.45Å; R113-E115 VanDerWaalsContact CD-OE1 3.32Å; R113-E115 WeakPolarHBondContact CD-OE1 3.49Å; R113-E115 HydrophobicContact CG-CG 4.15Å; R113-E115 IonicContact NH1-OE1 3.49Å; E115-F117 HydrophobicContact CB-CE2 3.76Å; E115-F117 HydrophobicContact CB-CZ 4.21Å; E115-F117 WeakPolarHBondContact O-CD2 3.42Å; E115-P129 HydrophobicContact CG-CB 4.37Å; E115-V131 HydrophobicContact CB-CG2 4.19Å; E115-V131 HydrophobicContact CG-CG2 4.48Å; E115-V131 WeakPolarHBondContact OE2-CG2 3.27Å; E115-Y152 WeakPolarHBondContact OE2-CE1 3.48Å; E115-Y157 PolarHBondContact OE1-OH 2.68Å
116	F	97.8	Very high	93.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.2	-176.7	-67.5	-94.1	0	0	0	110.1	V88 T90 A99 A102 H103 V114 I128 P129 I130 V131	V88-F116 HydrophobicContact CB-CD1 3.67Å; V88-F116 HydrophobicContact CB-CE1 3.85Å; V88-F116 HydrophobicContact CB-CG 4.32Å; V88-F116 HydrophobicContact CG1-CD1 3.7Å; V88-F116 HydrophobicContact CG1-CE1 3.71Å; V88-F116 HydrophobicContact CG2-CD1 4.34Å; V88-F116 HydrophobicContact CG2-CE1 4.08Å; V88-F116 HydrophobicContact CG2-CZ 4.43Å; V88-F116 CarbonylContact O-C 3.49Å; V88-F116 WeakPolarHBondContact O-CA 3.29Å; T90-F116 HydrophobicContact CG2-CB 4.22Å; A99-F116 HydrophobicContact CB-CD1 3.65Å; A99-F116 HydrophobicContact CB-CE1 3.92Å; A99-F116 HydrophobicContact CB-CG 4.39Å; A99-F116 WeakPolarHBondContact O-CE1 3.41Å; A102-F116 HydrophobicContact CB-CE1 4.05Å; A102-F116 HydrophobicContact CB-CZ 4.22Å; H103-F116 HydrophobicContact CB-CE2 3.9Å; H103-F116 HydrophobicContact CB-CZ 3.82Å; H103-F116 AromaticContact CD2-CE2 3.9Å; V114-F116 HydrophobicContact CG1-CE2 4.19Å; V114-F116 HydrophobicContact CG1-CZ 4.37Å; F116-I128 HydrophobicContact CD2-CD1 4.46Å; F116-I128 HydrophobicContact CG-CD1 4.41Å; F116-P129 HydrophobicContact CD2-CG 4.18Å; F116-P129 HydrophobicContact CE2-CG 4.42Å; F116-P129 PolarHBondContact N-O 3.27Å; F116-I130 CarbonylContact O-C 3.59Å; F116-I130 WeakPolarHBondContact O-CA 3.1Å; F116-V131 PolarHBondContact O-N 2.97Å
117	F	96.9	Very high	93.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.2	-173.2	-70.1	-96	0	0	0	111.4	F85 V88 T90 E115 V131 L133 M149 Y152 M153	F85-F117 HydrophobicContact CE1-CE2 4.23Å; F85-F117 HydrophobicContact CE1-CZ 4.35Å; F85-F117 HydrophobicContact CZ-CZ 4.48Å; V88-F117 PolarHBondContact O-N 3.47Å; T90-F117 WeakPolarHBondContact CG2-O 3.46Å; T90-F117 PolarHBondContact N-O 3.32Å; E115-F117 HydrophobicContact CB-CE2 3.76Å; E115-F117 HydrophobicContact CB-CZ 4.21Å; E115-F117 WeakPolarHBondContact O-CD2 3.42Å; F117-V131 WeakPolarHBondContact CA-O 3.44Å; F117-V131 HydrophobicContact CD1-CB 3.78Å; F117-V131 HydrophobicContact CD1-CG1 3.86Å; F117-V131 HydrophobicContact CE1-CB 3.75Å; F117-V131 HydrophobicContact CE1-CG1 3.68Å; F117-V131 HydrophobicContact CE1-CG2 4.12Å; F117-V131 HydrophobicContact CG-CB 4.4Å; F117-V131 HydrophobicContact CZ-CB 4.32Å; F117-V131 HydrophobicContact CZ-CG2 4.25Å; F117-L133 HydrophobicContact CB-CD1 4.23Å; F117-L133 HydrophobicContact CD1-CD1 4Å; F117-L133 HydrophobicContact CD1-CD2 3.88Å; F117-L133 HydrophobicContact CD1-CG 3.94Å; F117-L133 HydrophobicContact CE1-CD2 4.27Å; F117-M149 HydrophobicContact CB-CB 4.39Å; F117-M149 HydrophobicContact CB-CG 4.08Å; F117-M149 HydrophobicContact CB-SD 4.08Å; F117-M149 HydrophobicContact CD1-CB 4.05Å; F117-M149 HydrophobicContact CD1-CG 3.7Å; F117-M149 HydrophobicContact CD2-CG 3.54Å; F117-M149 HydrophobicContact CD2-SD 3.64Å; F117-M149 HydrophobicContact CE1-CG 3.96Å; F117-M149 HydrophobicContact CE2-CG 3.83Å; F117-M149 HydrophobicContact CE2-SD 4.27Å; F117-M149 HydrophobicContact CG-CB 4.1Å; F117-M149 HydrophobicContact CG-CG 3.48Å; F117-M149 VanDerWaalsContact CG-CG 3.48Å; F117-M149 HydrophobicContact CG-SD 3.88Å; F117-M149 HydrophobicContact CZ-CG 4.03Å; F117-Y152 AromaticContact CE1-CD1 3.34Å; F117-Y152 HydrophobicContact CE1-CD1 3.34Å; F117-Y152 AromaticContact CE1-CE1 3.89Å; F117-Y152 HydrophobicContact CE1-CE1 3.89Å; F117-Y152 AromaticContact CE1-CG 3.78Å; F117-Y152 HydrophobicContact CE1-CG 3.78Å; F117-Y152 AromaticContact CZ-CD1 3.53Å; F117-Y152 HydrophobicContact CZ-CD1 3.53Å; F117-Y152 AromaticContact CZ-CE1 3.93Å; F117-Y152 HydrophobicContact CZ-CE1 3.93Å; F117-Y152 HydrophobicContact CZ-CG 4.39Å; F117-M153 HydrophobicContact CZ-CG 4.17Å
118	S	95.4	Very high	93.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	177.2	-178.4	-160.7	0	0	0	0	111.6	Q92 S122 V131 L133	Q92-S118 PolarHBondContact N-OG 2.91Å; S118-S122 VanDerWaalsContact CB-OG 3.22Å; S118-S122 WeakPolarHBondContact CB-OG 3.35Å; S118-S122 PolarHBondContact OG-OG 2.82Å; S118-V131 PolarHBondContact N-O 3.5Å; S118-L133 PolarHBondContact O-N 3.39Å
119	S	94.1	Very high	93.2	Very high	15 Å²	15	43.4 Å²	43.4	11%	0.105	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	159.5	178.5	55.8	0	0	0	0	113.7	G121 S122 V136 D138	S119-G121 PolarHBondContact O-N 3.28Å; S119-G121 VanDerWaalsContact O-N 3.13Å; S119-S122 PolarHBondContact N-OG 3.05Å; S119-S122 WeakPolarHBondContact O-CB 3.16Å; S119-S122 PolarHBondContact O-N 3.2Å; S119-S122 PolarHBondContact O-OG 3.02Å; S119-S122 PolarHBondContact OG-OG 2.98Å; S119-S122 VanDerWaalsContact OG-OG 3.11Å; S119-V136 VanDerWaalsContact CA-O 3.3Å; S119-V136 WeakPolarHBondContact CA-O 3.33Å; S119-V136 WeakPolarHBondContact CB-O 3.33Å; S119-D138 VanDerWaalsContact CB-OD1 3.29Å; S119-D138 WeakPolarHBondContact CB-OD1 3.43Å; S119-D138 VanDerWaalsContact OG-CG 3.29Å; S119-D138 PolarHBondContact OG-OD1 3.18Å; S119-D138 PolarHBondContact OG-OD2 3.32Å; S119-D138 VanDerWaalsContact OG-OD2 3.11Å
120	E	89.7	Confident	93.4	Very high	99 Å²	99	41.1 Å²	41.1	46%	0.463	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.3	-173.5	-172.7	163.4	-152.1	0	0	114.6	L133 N135 V136	E120-L133 WeakPolarHBondContact CA-O 3.46Å; E120-L133 WeakPolarHBondContact CB-O 3.4Å; E120-L133 PolarHBondContact N-O 3.02Å; E120-N135 WeakPolarHBondContact OE2-CA 3.48Å; E120-N135 PolarHBondContact OE2-N 2.87Å; E120-V136 PolarHBondContact N-O 2.96Å
121	G	87.7	Confident	93.5	Very high	75 Å²	75	41.3 Å²	41.3	77%	0.773	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	15.8	179.8	0	0	0	0	0	114.8	S119	S119-G121 PolarHBondContact O-N 3.28Å; S119-G121 VanDerWaalsContact O-N 3.13Å
122	S	91.6	Very high	93.6	Very high	11 Å²	11	42 Å²	42	8%	0.077	27%	0.265	C	S	.	.			trans	-74.3	147.1	-174.6	-64.2	0	0	0	0	113.1	S118 S119 T124	S118-S122 VanDerWaalsContact CB-OG 3.22Å; S118-S122 WeakPolarHBondContact CB-OG 3.35Å; S118-S122 PolarHBondContact OG-OG 2.82Å; S119-S122 PolarHBondContact N-OG 3.05Å; S119-S122 WeakPolarHBondContact O-CB 3.16Å; S119-S122 PolarHBondContact O-N 3.2Å; S119-S122 PolarHBondContact O-OG 3.02Å; S119-S122 PolarHBondContact OG-OG 2.98Å; S119-S122 VanDerWaalsContact OG-OG 3.11Å; S122-T124 PolarHBondContact O-N 2.89Å
123	D	90.3	Very high	93.6	Very high	59 Å²	59	41 Å²	41	32%	0.316	25%	0.252	S	S	.	.			trans	-70.3	113.7	175.6	-179.5	10.6	0	0	0	110.3	S125 I126 I130	D123-S125 VanDerWaalsContact CG-OG 3.28Å; D123-S125 VanDerWaalsContact OD1-CB 3.25Å; D123-S125 WeakPolarHBondContact OD1-CB 3.29Å; D123-S125 PolarHBondContact OD1-N 2.89Å; D123-S125 PolarHBondContact OD1-OG 3.46Å; D123-S125 PolarHBondContact OD2-OG 3.25Å; D123-I126 HydrophobicContact CB-CD1 4.45Å; D123-I130 WeakPolarHBondContact O-CD1 3.49Å
124	T	90.4	Very high	93.4	Very high	90 Å²	90	45.1 Å²	45.1	55%	0.552	27%	0.268	S	S	*	.			trans	-98.6	2	-179.9	52.3	0	0	0	0	113	S122 I126 I130 A132	S122-T124 PolarHBondContact O-N 2.89Å; T124-I126 PolarHBondContact O-N 2.86Å; T124-I130 HydrophobicContact CG2-CB 4.36Å; T124-I130 HydrophobicContact CG2-CG2 4.1Å; T124-A132 HydrophobicContact CG2-CB 4.45Å
125	S	89.9	Confident	92.9	Very high	97 Å²	97	50.2 Å²	50.2	68%	0.678	29%	0.294	S	S	*	.			trans	-73.3	-14.5	177.6	70.7	0	0	0	0	113.5	D123	D123-S125 VanDerWaalsContact CG-OG 3.28Å; D123-S125 VanDerWaalsContact OD1-CB 3.25Å; D123-S125 WeakPolarHBondContact OD1-CB 3.29Å; D123-S125 PolarHBondContact OD1-N 2.89Å; D123-S125 PolarHBondContact OD1-OG 3.46Å; D123-S125 PolarHBondContact OD2-OG 3.25Å
126	I	90.4	Very high	92.5	Very high	11 Å²	11	49.7 Å²	49.7	6%	0.056	29%	0.293	C	S	.	.	S	Bend	trans	-66.9	135.1	179.7	-54.9	168.2	0	0	0	108.8	L95 N96 V100 D123 T124 I128 I130	L95-I126 HydrophobicContact CB-CD1 3.43Å; L95-I126 VanDerWaalsContact CB-CD1 3.43Å; L95-I126 HydrophobicContact CD1-CD1 4.27Å; L95-I126 HydrophobicContact CG-CD1 4.47Å; N96-I126 WeakPolarHBondContact OD1-CD1 3.34Å; N96-I126 VanDerWaalsContact OD1-CG1 3.24Å; N96-I126 WeakPolarHBondContact OD1-CG1 3.41Å; V100-I126 HydrophobicContact CG2-CG2 3.87Å; D123-I126 HydrophobicContact CB-CD1 4.45Å; T124-I126 PolarHBondContact O-N 2.86Å; I126-I128 HydrophobicContact CG2-CD1 4.17Å; I126-I128 HydrophobicContact CG2-CG1 4.06Å; I126-I128 PolarHBondContact O-N 3.43Å; I126-I130 HydrophobicContact CB-CD1 3.91Å; I126-I130 HydrophobicContact CD1-CD1 4.31Å
127	P	89.8	Confident	92.1	Very high	109 Å²	109	54 Å²	54	71%	0.708	32%	0.315	S	S	*	.	S	Bend	trans	-77.7	55	-173.4	33.4	-38.4	0	0	0	113
128	I	93.9	Very high	91.6	Very high	16 Å²	16	56.7 Å²	56.7	8%	0.082	33%	0.33	C	S	.	.	S	Bend	trans	-136.8	154.6	171.8	69.8	-175.9	0	0	0	108.4	A99 V100 H103 F116 I126 I130	A99-I128 HydrophobicContact CB-CD1 3.67Å; V100-I128 HydrophobicContact CG2-CD1 4.25Å; V100-I128 HydrophobicContact CG2-CG2 4.03Å; H103-I128 HydrophobicContact CB-CB 4.28Å; H103-I128 HydrophobicContact CB-CG2 3.68Å; F116-I128 HydrophobicContact CD2-CD1 4.46Å; F116-I128 HydrophobicContact CG-CD1 4.41Å; I126-I128 HydrophobicContact CG2-CD1 4.17Å; I126-I128 HydrophobicContact CG2-CG1 4.06Å; I126-I128 PolarHBondContact O-N 3.43Å; I128-I130 HydrophobicContact CD1-CD1 4.19Å; I128-I130 HydrophobicContact CD1-CG1 4.12Å; I128-I130 HydrophobicContact CG1-CD1 3.72Å; I128-I130 HydrophobicContact CG1-CG1 3.52Å; I128-I130 PolarHBondContact O-N 2.98Å
129	P	95.2	Very high	91	Very high	52 Å²	52	60 Å²	60	34%	0.338	35%	0.353	S	S	.	.			trans	-74.9	93.1	-177.2	29.6	-32.9	0	0	0	110.8	H103 V114 E115 F116	H103-P129 WeakPolarHBondContact CD2-CD 3.38Å; H103-P129 WeakPolarHBondContact NE2-CD 3.33Å; V114-P129 WeakPolarHBondContact O-CG 3.27Å; E115-P129 HydrophobicContact CG-CB 4.37Å; F116-P129 HydrophobicContact CD2-CG 4.18Å; F116-P129 HydrophobicContact CE2-CG 4.42Å; F116-P129 PolarHBondContact N-O 3.27Å
130	I	96.4	Very high	90.1	Very high	28 Å²	28	69.3 Å²	69.3	14%	0.144	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135.5	-177.2	-58.3	167.5	0	0	0	110.5	L95 F116 D123 T124 I126 I128	L95-I130 HydrophobicContact CD1-CD1 4.17Å; L95-I130 HydrophobicContact CD2-CD1 4.01Å; L95-I130 HydrophobicContact CD2-CG1 4.16Å; L95-I130 HydrophobicContact CD2-CG2 4.42Å; F116-I130 CarbonylContact O-C 3.59Å; F116-I130 WeakPolarHBondContact O-CA 3.1Å; D123-I130 WeakPolarHBondContact O-CD1 3.49Å; T124-I130 HydrophobicContact CG2-CB 4.36Å; T124-I130 HydrophobicContact CG2-CG2 4.1Å; I126-I130 HydrophobicContact CB-CD1 3.91Å; I126-I130 HydrophobicContact CD1-CD1 4.31Å; I128-I130 HydrophobicContact CD1-CD1 4.19Å; I128-I130 HydrophobicContact CD1-CG1 4.12Å; I128-I130 HydrophobicContact CG1-CD1 3.72Å; I128-I130 HydrophobicContact CG1-CG1 3.52Å; I128-I130 PolarHBondContact O-N 2.98Å
131	V	96.6	Very high	89.4	Confident	17 Å²	17	66.9 Å²	66.9	10%	0.103	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	108.8	168.4	-178.8	0	0	0	0	108.7	E115 F116 F117 S118 L133 Y152	E115-V131 HydrophobicContact CB-CG2 4.19Å; E115-V131 HydrophobicContact CG-CG2 4.48Å; E115-V131 WeakPolarHBondContact OE2-CG2 3.27Å; F116-V131 PolarHBondContact O-N 2.97Å; F117-V131 WeakPolarHBondContact CA-O 3.44Å; F117-V131 HydrophobicContact CD1-CB 3.78Å; F117-V131 HydrophobicContact CD1-CG1 3.86Å; F117-V131 HydrophobicContact CE1-CB 3.75Å; F117-V131 HydrophobicContact CE1-CG1 3.68Å; F117-V131 HydrophobicContact CE1-CG2 4.12Å; F117-V131 HydrophobicContact CG-CB 4.4Å; F117-V131 HydrophobicContact CZ-CB 4.32Å; F117-V131 HydrophobicContact CZ-CG2 4.25Å; S118-V131 PolarHBondContact N-O 3.5Å; V131-L133 HydrophobicContact CG1-CD2 4.35Å; V131-L133 PolarHBondContact O-N 3.21Å; V131-Y152 HydrophobicContact CG1-CD1 4.39Å; V131-Y152 HydrophobicContact CG1-CD2 4.13Å; V131-Y152 HydrophobicContact CG1-CE1 4.02Å; V131-Y152 HydrophobicContact CG1-CE2 3.8Å; V131-Y152 HydrophobicContact CG1-CG 4.42Å; V131-Y152 HydrophobicContact CG2-CE1 4.02Å
132	A	94.8	Very high	89	Confident	34 Å²	34	64.3 Å²	64.3	28%	0.281	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	111.8	171	0	0	0	0	0	109.4	T124	T124-A132 HydrophobicContact CG2-CB 4.45Å
133	L	93.9	Very high	88.7	Confident	8 Å²	8	65.1 Å²	65.1	4%	0.042	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	125.4	-177.6	-70.8	171	0	0	0	110.8	F117 S118 E120 V131 V136 K145 M148 M149	F117-L133 HydrophobicContact CB-CD1 4.23Å; F117-L133 HydrophobicContact CD1-CD1 4Å; F117-L133 HydrophobicContact CD1-CD2 3.88Å; F117-L133 HydrophobicContact CD1-CG 3.94Å; F117-L133 HydrophobicContact CE1-CD2 4.27Å; S118-L133 PolarHBondContact O-N 3.39Å; E120-L133 WeakPolarHBondContact CA-O 3.46Å; E120-L133 WeakPolarHBondContact CB-O 3.4Å; E120-L133 PolarHBondContact N-O 3.02Å; V131-L133 HydrophobicContact CG1-CD2 4.35Å; V131-L133 PolarHBondContact O-N 3.21Å; L133-V136 HydrophobicContact CB-CB 3.84Å; L133-V136 HydrophobicContact CB-CG1 4.38Å; L133-V136 HydrophobicContact CB-CG2 3.82Å; L133-V136 PolarHBondContact O-N 2.8Å; L133-K145 HydrophobicContact CD1-CG 4.11Å; L133-M148 HydrophobicContact CD1-CB 4.1Å; L133-M148 HydrophobicContact CD2-CB 4.46Å; L133-M149 HydrophobicContact CD1-CB 4.21Å
134	R	90.6	Very high	88.7	Confident	194 Å²	194	66.9 Å²	66.9	73%	0.732	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	139.7	178	-62.5	-174.5	-176.3	-179	0	112.1	V136	R134-V136 PolarHBondContact O-N 2.88Å
135	N	87.5	Confident	88.8	Confident	123 Å²	123	63 Å²	63	66%	0.658	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	26.4	-178.7	-56.8	-58.7	0	0	0	114.3	E120 K144	E120-N135 WeakPolarHBondContact OE2-CA 3.48Å; E120-N135 PolarHBondContact OE2-N 2.87Å; N135-K144 VanDerWaalsContact O-CE 3.22Å; N135-K144 WeakPolarHBondContact O-CE 3.2Å; N135-K144 PolarHBondContact O-NZ 3.4Å
136	V	90	Very high	88.9	Confident	6 Å²	6	58.4 Å²	58.4	4%	0.036	30%	0.3	C	S	.	.			trans	-119.9	135.2	178.3	175.6	0	0	0	0	109.5	S119 E120 L133 R134 K144 K145 M148	S119-V136 VanDerWaalsContact CA-O 3.3Å; S119-V136 WeakPolarHBondContact CA-O 3.33Å; S119-V136 WeakPolarHBondContact CB-O 3.33Å; E120-V136 PolarHBondContact N-O 2.96Å; L133-V136 HydrophobicContact CB-CB 3.84Å; L133-V136 HydrophobicContact CB-CG1 4.38Å; L133-V136 HydrophobicContact CB-CG2 3.82Å; L133-V136 PolarHBondContact O-N 2.8Å; R134-V136 PolarHBondContact O-N 2.88Å; V136-K144 HydrophobicContact CG2-CG 4.39Å; V136-K145 HydrophobicContact CG1-CB 3.55Å; V136-K145 HydrophobicContact CG1-CD 4.5Å; V136-K145 HydrophobicContact CG1-CG 3.81Å; V136-M148 HydrophobicContact CG2-CB 3.85Å; V136-M148 HydrophobicContact CG2-CG 3.73Å
137	D	88.4	Confident	89.1	Confident	89 Å²	89	57.9 Å²	57.9	48%	0.476	30%	0.298	S	S	.	.			trans	-107	-179.7	177.3	68	3.3	0	0	0	112.2	S139 K145	D137-S139 VanDerWaalsContact CG-OG 3.22Å; D137-S139 WeakPolarHBondContact OD1-CB 3.07Å; D137-S139 PolarHBondContact OD1-N 3.18Å; D137-S139 WeakPolarHBondContact OD2-CB 3.38Å; D137-S139 PolarHBondContact OD2-OG 2.55Å; D137-K145 WeakPolarHBondContact O-CE 3.36Å
138	D	87.4	Confident	89.4	Confident	58 Å²	58	55.1 Å²	55.1	31%	0.31	28%	0.276	S	S	.	.			trans	-98.1	17.6	177.2	-72	-21.7	0	0	0	112.9	A91 Q92 S119 K145	A91-D138 HydrophobicContact CB-CB 4.05Å; Q92-D138 WeakPolarHBondContact CB-OD2 3.26Å; Q92-D138 PolarHBondContact N-OD2 2.62Å; S119-D138 VanDerWaalsContact CB-OD1 3.29Å; S119-D138 WeakPolarHBondContact CB-OD1 3.43Å; S119-D138 VanDerWaalsContact OG-CG 3.29Å; S119-D138 PolarHBondContact OG-OD1 3.18Å; S119-D138 PolarHBondContact OG-OD2 3.32Å; S119-D138 VanDerWaalsContact OG-OD2 3.11Å; D138-K145 IonicContact OD1-NZ 2.74Å; D138-K145 PolarHBondContact OD1-NZ 3.18Å
139	S	83.1	Confident	89.5	Confident	68 Å²	68	54.3 Å²	54.3	48%	0.476	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-66	140.4	-179.6	-64	0	0	0	0	111.2	D137 P141	D137-S139 VanDerWaalsContact CG-OG 3.22Å; D137-S139 WeakPolarHBondContact OD1-CB 3.07Å; D137-S139 PolarHBondContact OD1-N 3.18Å; D137-S139 WeakPolarHBondContact OD2-CB 3.38Å; D137-S139 PolarHBondContact OD2-OG 2.55Å; S139-P141 CarbonylContact O-C 3.57Å
140	Y	75.1	Confident	89.6	Confident	212 Å²	212	51.9 Å²	51.9	83%	0.831	26%	0.256	S	S	*	.	S	Bend	trans	-102.3	133.5	176.4	-174.1	-87.7	0	0	0	110.2
141	P	74.6	Confident	89.6	Confident	47 Å²	47	54.1 Å²	54.1	31%	0.305	27%	0.265	S	S	.	.	S	Bend	cis	-78.3	147.4	2.7	-20.7	36.9	0	0	0	115	S139 Q143 T246	S139-P141 CarbonylContact O-C 3.57Å; P141-Q143 HydrophobicContact CB-CG 4.38Å; P141-Q143 PolarHBondContact O-N 2.67Å; P141-T246 WeakPolarHBondContact CB-O 3.04Å; P141-T246 VanDerWaalsContact CG-O 3.25Å; P141-T246 WeakPolarHBondContact CG-O 3.36Å
142	P	79.9	Confident	89.6	Confident	22 Å²	22	56 Å²	56	14%	0.143	27%	0.27	C	S	.	.			trans	-85.1	43.7	-168	37	-38.9	0	0	0	113.8	M89 K144 K145 S146	M89-P142 HydrophobicContact CE-CB 4.18Å; M89-P142 HydrophobicContact CE-CG 3.54Å; M89-P142 HydrophobicContact SD-CB 3.9Å; M89-P142 HydrophobicContact SD-CG 3.9Å; P142-K144 PolarHBondContact O-N 3.32Å; P142-K145 HydrophobicContact CB-CB 4.18Å; P142-K145 WeakPolarHBondContact O-CB 3.26Å; P142-K145 PolarHBondContact O-N 2.93Å; P142-S146 PolarHBondContact O-N 3.08Å; P142-S146 VanDerWaalsContact O-N 3.14Å
143	Q	84.7	Confident	89.7	Confident	27 Å²	27	54.4 Å²	54.4	13%	0.126	26%	0.257	C	S	.	.	H	α-helix	trans	-57.9	-53.1	-172	-57.1	-178.2	-69.9	0	0	112.2	P141 K145 S146 F147 M243 T245 T246 E248	P141-Q143 HydrophobicContact CB-CG 4.38Å; P141-Q143 PolarHBondContact O-N 2.67Å; Q143-K145 VanDerWaalsContact C-N 3.27Å; Q143-K145 PolarHBondContact O-N 3.37Å; Q143-S146 PolarHBondContact O-N 3.32Å; Q143-F147 VanDerWaalsContact O-CD2 3.31Å; Q143-F147 WeakPolarHBondContact O-CD2 3.38Å; Q143-F147 PolarHBondContact O-N 3.45Å; Q143-M243 HydrophobicContact CB-SD 3.96Å; Q143-M243 HydrophobicContact CG-SD 4.47Å; Q143-T245 PolarHBondContact NE2-O 2.73Å; Q143-T246 VanDerWaalsContact NE2-CA 3.3Å; Q143-T246 PolarHBondContact NE2-O 3.39Å; Q143-E248 HydrophobicContact CB-CB 4.5Å; Q143-E248 HydrophobicContact CG-CB 4.07Å
144	K	89.6	Confident	89.9	Confident	97 Å²	97	55.6 Å²	55.6	42%	0.422	26%	0.262	S	S	.	.	H	α-helix	trans	-59	-39.4	179	-169	-178.6	-173.9	-177.4	0	111.8	N135 V136 P142 M148	N135-K144 VanDerWaalsContact O-CE 3.22Å; N135-K144 WeakPolarHBondContact O-CE 3.2Å; N135-K144 PolarHBondContact O-NZ 3.4Å; V136-K144 HydrophobicContact CG2-CG 4.39Å; P142-K144 PolarHBondContact O-N 3.32Å; K144-M148 HydrophobicContact CG-CG 4.17Å; K144-M148 VanDerWaalsContact O-CB 3.32Å; K144-M148 WeakPolarHBondContact O-CB 3.47Å; K144-M148 WeakPolarHBondContact O-CG 3.33Å; K144-M148 PolarHBondContact O-N 3.47Å
145	K	91.9	Very high	90.2	Very high	9 Å²	9	50.3 Å²	50.3	4%	0.039	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-46.7	-178.8	-175.8	-180	-68.2	178.7	0	111.8	M89 T90 L133 V136 D137 D138 P142 Q143 M148 M149	M89-K145 HydrophobicContact CG-CD 3.51Å; M89-K145 HydrophobicContact CG-CG 4Å; M89-K145 HydrophobicContact SD-CB 4.26Å; M89-K145 HydrophobicContact SD-CD 3.87Å; M89-K145 HydrophobicContact SD-CG 4.01Å; T90-K145 PolarHBondContact O-NZ 3.39Å; L133-K145 HydrophobicContact CD1-CG 4.11Å; V136-K145 HydrophobicContact CG1-CB 3.55Å; V136-K145 HydrophobicContact CG1-CD 4.5Å; V136-K145 HydrophobicContact CG1-CG 3.81Å; D137-K145 WeakPolarHBondContact O-CE 3.36Å; D138-K145 IonicContact OD1-NZ 2.74Å; D138-K145 PolarHBondContact OD1-NZ 3.18Å; P142-K145 HydrophobicContact CB-CB 4.18Å; P142-K145 WeakPolarHBondContact O-CB 3.26Å; P142-K145 PolarHBondContact O-N 2.93Å; Q143-K145 VanDerWaalsContact C-N 3.27Å; Q143-K145 PolarHBondContact O-N 3.37Å; K145-M148 PolarHBondContact O-N 2.88Å; K145-M149 WeakPolarHBondContact O-CB 3.46Å; K145-M149 PolarHBondContact O-N 3.13Å
146	S	92.8	Very high	90.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-47.5	179.8	-174.6	0	0	0	0	112.1	P142 Q143 M148 M149 L150 E248	P142-S146 PolarHBondContact O-N 3.08Å; P142-S146 VanDerWaalsContact O-N 3.14Å; Q143-S146 PolarHBondContact O-N 3.32Å; S146-M148 VanDerWaalsContact C-N 3.35Å; S146-M148 PolarHBondContact O-N 2.99Å; S146-M149 WeakPolarHBondContact O-CB 3.3Å; S146-M149 PolarHBondContact O-N 3.33Å; S146-L150 WeakPolarHBondContact O-CG 3.47Å; S146-L150 PolarHBondContact O-N 2.95Å; S146-E248 VanDerWaalsContact CB-CG 3.42Å; S146-E248 WeakPolarHBondContact CB-OE1 3.46Å; S146-E248 PolarHBondContact OG-OE1 3.13Å
147	F	94.8	Very high	90.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.5	-43.1	175.5	-78.9	-69	0	0	0	112.5	Q143 M149 L150 K151 I236 C239 L240 M243 E251 V252 C255	Q143-F147 VanDerWaalsContact O-CD2 3.31Å; Q143-F147 WeakPolarHBondContact O-CD2 3.38Å; Q143-F147 PolarHBondContact O-N 3.45Å; F147-M149 VanDerWaalsContact C-N 3.33Å; F147-M149 PolarHBondContact O-N 3.12Å; F147-L150 PolarHBondContact O-N 3.05Å; F147-K151 WeakPolarHBondContact O-CB 3.4Å; F147-K151 PolarHBondContact O-N 3.18Å; F147-I236 HydrophobicContact CB-CG2 4.07Å; F147-I236 HydrophobicContact CD1-CD1 4.24Å; F147-I236 HydrophobicContact CD1-CG1 3.97Å; F147-I236 HydrophobicContact CD1-CG2 4.41Å; F147-I236 WeakPolarHBondContact O-CD1 3.46Å; F147-C239 HydrophobicContact CE1-CB 4.04Å; F147-C239 HydrophobicContact CZ-CB 4.2Å; F147-L240 HydrophobicContact CB-CD1 4.3Å; F147-L240 HydrophobicContact CB-CD2 3.95Å; F147-L240 HydrophobicContact CB-CG 4.21Å; F147-L240 HydrophobicContact CD2-CD2 3.49Å; F147-L240 VanDerWaalsContact CD2-CD2 3.49Å; F147-L240 HydrophobicContact CD2-CG 4.19Å; F147-L240 HydrophobicContact CE2-CD2 4.24Å; F147-L240 HydrophobicContact CG-CD2 3.93Å; F147-L240 HydrophobicContact CG-CG 4.23Å; F147-M243 HydrophobicContact CE2-SD 4.45Å; F147-E251 HydrophobicContact CE2-CB 3.99Å; F147-E251 HydrophobicContact CZ-CB 4.11Å; F147-V252 HydrophobicContact CE1-CG2 4.14Å; F147-V252 HydrophobicContact CE2-CG2 4.27Å; F147-V252 HydrophobicContact CZ-CG2 4Å; F147-C255 HydrophobicContact CE1-CB 3.88Å; F147-C255 HydrophobicContact CZ-CB 4.19Å
148	M	95.6	Very high	91.2	Very high	50 Å²	50	46 Å²	46	25%	0.246	22%	0.221	C	C	.	.	H	α-helix	trans	-68.1	-32.8	178.5	-68.7	-59.6	-67.1	0	0	112.5	L133 V136 K144 K145 S146 Y152	L133-M148 HydrophobicContact CD1-CB 4.1Å; L133-M148 HydrophobicContact CD2-CB 4.46Å; V136-M148 HydrophobicContact CG2-CB 3.85Å; V136-M148 HydrophobicContact CG2-CG 3.73Å; K144-M148 HydrophobicContact CG-CG 4.17Å; K144-M148 VanDerWaalsContact O-CB 3.32Å; K144-M148 WeakPolarHBondContact O-CB 3.47Å; K144-M148 WeakPolarHBondContact O-CG 3.33Å; K144-M148 PolarHBondContact O-N 3.47Å; K145-M148 PolarHBondContact O-N 2.88Å; S146-M148 VanDerWaalsContact C-N 3.35Å; S146-M148 PolarHBondContact O-N 2.99Å; M148-Y152 WeakPolarHBondContact O-CB 3.26Å; M148-Y152 PolarHBondContact O-N 3.44Å
149	M	96.2	Very high	91.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.6	-50.2	170.4	178.3	-174.3	74.7	0	0	111.2	M89 F117 L133 K145 S146 F147 K151 Y152 M153 R166	M89-M149 HydrophobicContact CB-SD 4.39Å; F117-M149 HydrophobicContact CB-CB 4.39Å; F117-M149 HydrophobicContact CB-CG 4.08Å; F117-M149 HydrophobicContact CB-SD 4.08Å; F117-M149 HydrophobicContact CD1-CB 4.05Å; F117-M149 HydrophobicContact CD1-CG 3.7Å; F117-M149 HydrophobicContact CD2-CG 3.54Å; F117-M149 HydrophobicContact CD2-SD 3.64Å; F117-M149 HydrophobicContact CE1-CG 3.96Å; F117-M149 HydrophobicContact CE2-CG 3.83Å; F117-M149 HydrophobicContact CE2-SD 4.27Å; F117-M149 HydrophobicContact CG-CB 4.1Å; F117-M149 HydrophobicContact CG-CG 3.48Å; F117-M149 VanDerWaalsContact CG-CG 3.48Å; F117-M149 HydrophobicContact CG-SD 3.88Å; F117-M149 HydrophobicContact CZ-CG 4.03Å; L133-M149 HydrophobicContact CD1-CB 4.21Å; K145-M149 WeakPolarHBondContact O-CB 3.46Å; K145-M149 PolarHBondContact O-N 3.13Å; S146-M149 WeakPolarHBondContact O-CB 3.3Å; S146-M149 PolarHBondContact O-N 3.33Å; F147-M149 VanDerWaalsContact C-N 3.33Å; F147-M149 PolarHBondContact O-N 3.12Å; M149-K151 VanDerWaalsContact C-N 3.29Å; M149-K151 PolarHBondContact O-N 3.15Å; M149-Y152 WeakPolarHBondContact O-CB 3.38Å; M149-Y152 PolarHBondContact O-N 3.39Å; M149-Y152 VanDerWaalsContact O-N 3.13Å; M149-M153 HydrophobicContact CE-SD 4.42Å; M149-M153 HydrophobicContact CG-SD 3.91Å; M149-M153 VanDerWaalsContact O-CG 3.3Å; M149-M153 WeakPolarHBondContact O-CG 3.22Å; M149-M153 PolarHBondContact O-N 2.77Å; M149-M153 HydrophobicContact SD-SD 4.49Å; M149-R166 HydrophobicContact CE-CB 3.64Å; M149-R166 HydrophobicContact CE-CG 3.29Å
150	L	97.1	Very high	92.1	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-61.5	-39.1	178.1	-65	174.7	0	0	0	111.7	S146 F147 M153 H154 R166 M224 L229 M232 I236 V252	S146-L150 WeakPolarHBondContact O-CG 3.47Å; S146-L150 PolarHBondContact O-N 2.95Å; F147-L150 PolarHBondContact O-N 3.05Å; L150-M153 PolarHBondContact O-N 3.35Å; L150-H154 WeakPolarHBondContact O-CB 3.3Å; L150-H154 PolarHBondContact O-N 3.23Å; L150-R166 HydrophobicContact CD2-CB 4.41Å; L150-M224 HydrophobicContact CD1-CE 3.81Å; L150-M224 HydrophobicContact CD1-SD 4.31Å; L150-M224 HydrophobicContact CD2-CE 4Å; L150-M224 HydrophobicContact CD2-SD 3.91Å; L150-L229 HydrophobicContact CB-CD2 4.4Å; L150-L229 HydrophobicContact CD2-CD2 4.24Å; L150-M232 HydrophobicContact CB-CE 4.4Å; L150-M232 HydrophobicContact CD1-CE 4.1Å; L150-I236 HydrophobicContact CB-CD1 4.49Å; L150-V252 HydrophobicContact CD1-CG1 4.04Å; L150-V252 HydrophobicContact CD1-CG2 4.33Å
151	K	96.5	Very high	93.1	Very high	75 Å²	75	42.5 Å²	42.5	33%	0.326	20%	0.204	S	C	.	.	H	α-helix	trans	-59.9	-48.1	172.2	179.6	167.1	173.7	47.9	0	111.5	F147 M149 M153 H154 D155 V233 I236	F147-K151 WeakPolarHBondContact O-CB 3.4Å; F147-K151 PolarHBondContact O-N 3.18Å; M149-K151 VanDerWaalsContact C-N 3.29Å; M149-K151 PolarHBondContact O-N 3.15Å; K151-M153 PolarHBondContact O-N 2.96Å; K151-H154 PolarHBondContact O-N 3.08Å; K151-D155 WeakPolarHBondContact CE-OD2 3.28Å; K151-D155 WeakPolarHBondContact CG-OD2 3.25Å; K151-D155 IonicContact NZ-OD1 2.66Å; K151-D155 PolarHBondContact NZ-OD1 2.79Å; K151-D155 IonicContact NZ-OD2 3.82Å; K151-D155 PolarHBondContact NZ-OD2 3.01Å; K151-D155 WeakPolarHBondContact O-CB 3.47Å; K151-D155 PolarHBondContact O-N 2.9Å; K151-V233 HydrophobicContact CB-CG1 4.34Å; K151-V233 HydrophobicContact CG-CG1 4.26Å; K151-I236 HydrophobicContact CB-CD1 3.87Å
152	Y	97.4	Very high	94	Very high	56 Å²	56	43.5 Å²	43.5	22%	0.22	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-46.6	178.4	-179.8	-86.6	0	0	0	111.8	E115 F117 V131 M148 M149 H154 D155 H156 Y157	E115-Y152 WeakPolarHBondContact OE2-CE1 3.48Å; F117-Y152 AromaticContact CE1-CD1 3.34Å; F117-Y152 HydrophobicContact CE1-CD1 3.34Å; F117-Y152 AromaticContact CE1-CE1 3.89Å; F117-Y152 HydrophobicContact CE1-CE1 3.89Å; F117-Y152 AromaticContact CE1-CG 3.78Å; F117-Y152 HydrophobicContact CE1-CG 3.78Å; F117-Y152 AromaticContact CZ-CD1 3.53Å; F117-Y152 HydrophobicContact CZ-CD1 3.53Å; F117-Y152 AromaticContact CZ-CE1 3.93Å; F117-Y152 HydrophobicContact CZ-CE1 3.93Å; F117-Y152 HydrophobicContact CZ-CG 4.39Å; V131-Y152 HydrophobicContact CG1-CD1 4.39Å; V131-Y152 HydrophobicContact CG1-CD2 4.13Å; V131-Y152 HydrophobicContact CG1-CE1 4.02Å; V131-Y152 HydrophobicContact CG1-CE2 3.8Å; V131-Y152 HydrophobicContact CG1-CG 4.42Å; V131-Y152 HydrophobicContact CG2-CE1 4.02Å; M148-Y152 WeakPolarHBondContact O-CB 3.26Å; M148-Y152 PolarHBondContact O-N 3.44Å; M149-Y152 WeakPolarHBondContact O-CB 3.38Å; M149-Y152 PolarHBondContact O-N 3.39Å; M149-Y152 VanDerWaalsContact O-N 3.13Å; Y152-H154 VanDerWaalsContact C-N 3.33Å; Y152-H154 PolarHBondContact O-N 3.04Å; Y152-D155 PolarHBondContact O-N 3.22Å; Y152-H156 AromaticContact CD2-CE1 3.44Å; Y152-H156 VanDerWaalsContact CD2-CE1 3.44Å; Y152-H156 WeakPolarHBondContact CD2-CE1 3.48Å; Y152-H156 AromaticContact CD2-ND1 3.56Å; Y152-H156 AromaticContact CE2-CE1 3.42Å; Y152-H156 VanDerWaalsContact CE2-CE1 3.42Å; Y152-H156 WeakPolarHBondContact CE2-CE1 3.26Å; Y152-H156 AromaticContact CE2-ND1 3.65Å; Y152-H156 AromaticContact CE2-NE2 3.79Å; Y152-H156 AromaticContact CG-ND1 3.82Å; Y152-H156 PolarHBondContact O-N 2.8Å; Y152-H156 VanDerWaalsContact O-N 3.09Å; Y152-H156 PolarHBondContact O-ND1 2.84Å; Y152-Y157 HydrophobicContact CD1-CE2 4.47Å; Y152-Y157 HydrophobicContact CE1-CD2 4.48Å; Y152-Y157 AromaticContact CE1-CE2 3.8Å; Y152-Y157 HydrophobicContact CE1-CE2 3.8Å
153	M	97.4	Very high	94.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58	-44.7	177.7	-70.5	171.5	53.9	0	0	111.6	F85 F117 M149 L150 K151 Y157 L158 F164	F85-M153 HydrophobicContact CD1-CE 3.58Å; F85-M153 HydrophobicContact CD1-CG 3.86Å; F85-M153 HydrophobicContact CD1-SD 4.05Å; F85-M153 HydrophobicContact CE1-CE 4.16Å; F85-M153 HydrophobicContact CE1-CG 3.53Å; F85-M153 HydrophobicContact CE1-SD 4.02Å; F85-M153 HydrophobicContact CG-CE 4.47Å; F85-M153 HydrophobicContact CZ-CG 4.3Å; F117-M153 HydrophobicContact CZ-CG 4.17Å; M149-M153 HydrophobicContact CE-SD 4.42Å; M149-M153 HydrophobicContact CG-SD 3.91Å; M149-M153 VanDerWaalsContact O-CG 3.3Å; M149-M153 WeakPolarHBondContact O-CG 3.22Å; M149-M153 PolarHBondContact O-N 2.77Å; M149-M153 HydrophobicContact SD-SD 4.49Å; L150-M153 PolarHBondContact O-N 3.35Å; K151-M153 PolarHBondContact O-N 2.96Å; M153-Y157 CarbonylContact O-C 3.54Å; M153-Y157 VanDerWaalsContact O-CA 3.32Å; M153-Y157 WeakPolarHBondContact O-CA 3.31Å; M153-Y157 VanDerWaalsContact O-CB 3.24Å; M153-Y157 WeakPolarHBondContact O-CB 3.32Å; M153-Y157 PolarHBondContact O-N 3.04Å; M153-L158 PolarHBondContact O-N 3.01Å; M153-F164 HydrophobicContact CB-CD1 4.22Å; M153-F164 HydrophobicContact CE-CB 3.69Å; M153-F164 HydrophobicContact CE-CD1 3.61Å; M153-F164 HydrophobicContact CE-CG 4.13Å
154	H	97.1	Very high	95.5	Very high	34 Å²	34	41.2 Å²	41.2	16%	0.157	19%	0.192	C	C	.	.	H	α-helix	trans	-63.5	-55.4	174.4	167.1	-80.5	0	0	0	111.9	L150 K151 Y152 H156 Y157 L158 V233	L150-H154 WeakPolarHBondContact O-CB 3.3Å; L150-H154 PolarHBondContact O-N 3.23Å; K151-H154 PolarHBondContact O-N 3.08Å; Y152-H154 VanDerWaalsContact C-N 3.33Å; Y152-H154 PolarHBondContact O-N 3.04Å; H154-H156 PolarHBondContact O-N 3.2Å; H154-H156 VanDerWaalsContact O-N 3.12Å; H154-Y157 PolarHBondContact O-N 3.11Å; H154-L158 WeakPolarHBondContact O-CB 3.26Å; H154-L158 PolarHBondContact O-N 2.75Å; H154-L158 VanDerWaalsContact O-N 3.08Å; H154-V233 HydrophobicContact CB-CB 3.93Å; H154-V233 HydrophobicContact CB-CG1 3.73Å; H154-V233 HydrophobicContact CB-CG2 3.68Å; H154-V233 VanDerWaalsContact CG-CG1 3.45Å; H154-V233 WeakPolarHBondContact ND1-CG1 3.42Å
155	D	96.8	Very high	95.9	Very high	83 Å²	83	36.7 Å²	36.7	44%	0.444	17%	0.173	S	C	.	.	H	α-helix	trans	-62.1	-28.8	-171.5	-66.8	-7.5	0	0	0	112.9	K151 Y152	K151-D155 WeakPolarHBondContact CE-OD2 3.28Å; K151-D155 WeakPolarHBondContact CG-OD2 3.25Å; K151-D155 IonicContact NZ-OD1 2.66Å; K151-D155 PolarHBondContact NZ-OD1 2.79Å; K151-D155 IonicContact NZ-OD2 3.82Å; K151-D155 PolarHBondContact NZ-OD2 3.01Å; K151-D155 WeakPolarHBondContact O-CB 3.47Å; K151-D155 PolarHBondContact O-N 2.9Å; Y152-D155 PolarHBondContact O-N 3.22Å
156	H	96.1	Very high	96.1	Very high	91 Å²	91	36.7 Å²	36.7	42%	0.421	17%	0.172	S	C	.	.	H	α-helix	trans	-105.6	-25.2	-176.4	-62	79.3	0	0	0	114.4	Y152 H154 K160	Y152-H156 AromaticContact CD2-CE1 3.44Å; Y152-H156 VanDerWaalsContact CD2-CE1 3.44Å; Y152-H156 WeakPolarHBondContact CD2-CE1 3.48Å; Y152-H156 AromaticContact CD2-ND1 3.56Å; Y152-H156 AromaticContact CE2-CE1 3.42Å; Y152-H156 VanDerWaalsContact CE2-CE1 3.42Å; Y152-H156 WeakPolarHBondContact CE2-CE1 3.26Å; Y152-H156 AromaticContact CE2-ND1 3.65Å; Y152-H156 AromaticContact CE2-NE2 3.79Å; Y152-H156 AromaticContact CG-ND1 3.82Å; Y152-H156 PolarHBondContact O-N 2.8Å; Y152-H156 VanDerWaalsContact O-N 3.09Å; Y152-H156 PolarHBondContact O-ND1 2.84Å; H154-H156 PolarHBondContact O-N 3.2Å; H154-H156 VanDerWaalsContact O-N 3.12Å; H156-K160 PolarHBondContact O-NZ 3.22Å
157	Y	96.5	Very high	96.2	Very high	21 Å²	21	36.7 Å²	36.7	8%	0.082	17%	0.172	C	C	.	.	H	α-helix	trans	-135	-2.1	-164.4	-58.2	-70.5	0	0	0	115.6	F85 R113 E115 Y152 M153 H154 D159 K160 Y161 F164	F85-Y157 HydrophobicContact CD2-CD1 4.27Å; F85-Y157 AromaticContact CD2-CD2 3.89Å; F85-Y157 HydrophobicContact CD2-CD2 3.89Å; F85-Y157 HydrophobicContact CD2-CE2 4.36Å; F85-Y157 AromaticContact CD2-CG 3.82Å; F85-Y157 HydrophobicContact CD2-CG 3.82Å; F85-Y157 HydrophobicContact CE2-CD1 4.01Å; F85-Y157 AromaticContact CE2-CD2 3.21Å; F85-Y157 HydrophobicContact CE2-CD2 3.21Å; F85-Y157 HydrophobicContact CE2-CE1 4.13Å; F85-Y157 AromaticContact CE2-CE2 3.32Å; F85-Y157 HydrophobicContact CE2-CE2 3.32Å; F85-Y157 AromaticContact CE2-CG 3.57Å; F85-Y157 HydrophobicContact CE2-CG 3.57Å; F85-Y157 AromaticContact CE2-CZ 3.79Å; F85-Y157 AromaticContact CZ-CD2 3.65Å; F85-Y157 HydrophobicContact CZ-CD2 3.65Å; F85-Y157 AromaticContact CZ-CE2 3.63Å; F85-Y157 HydrophobicContact CZ-CE2 3.63Å; F85-Y157 HydrophobicContact CZ-CG 4.41Å; R113-Y157 PolarHBondContact NH1-OH 2.85Å; E115-Y157 PolarHBondContact OE1-OH 2.68Å; Y152-Y157 HydrophobicContact CD1-CE2 4.47Å; Y152-Y157 HydrophobicContact CE1-CD2 4.48Å; Y152-Y157 AromaticContact CE1-CE2 3.8Å; Y152-Y157 HydrophobicContact CE1-CE2 3.8Å; M153-Y157 CarbonylContact O-C 3.54Å; M153-Y157 VanDerWaalsContact O-CA 3.32Å; M153-Y157 WeakPolarHBondContact O-CA 3.31Å; M153-Y157 VanDerWaalsContact O-CB 3.24Å; M153-Y157 WeakPolarHBondContact O-CB 3.32Å; M153-Y157 PolarHBondContact O-N 3.04Å; H154-Y157 PolarHBondContact O-N 3.11Å; Y157-D159 VanDerWaalsContact C-N 3.31Å; Y157-D159 PolarHBondContact O-N 2.99Å; Y157-K160 HydrophobicContact CD1-CD 3.88Å; Y157-K160 PolarHBondContact O-N 2.99Å; Y157-Y161 HydrophobicContact CD1-CD2 4.42Å; Y157-Y161 AromaticContact CD1-CE2 3.85Å; Y157-Y161 HydrophobicContact CD1-CE2 3.85Å; Y157-Y161 HydrophobicContact CG-CE2 4.3Å; Y157-Y161 PolarHBondContact O-N 3.19Å; Y157-F164 WeakPolarHBondContact O-CZ 2.79Å
158	L	95	Very high	96.2	Very high	16 Å²	16	38.1 Å²	38.1	8%	0.084	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-49.1	-50	-177.5	-173.6	71.5	0	0	0	112.8	M153 H154 K160 F164 R226 L229 R230	M153-L158 PolarHBondContact O-N 3.01Å; H154-L158 WeakPolarHBondContact O-CB 3.26Å; H154-L158 PolarHBondContact O-N 2.75Å; H154-L158 VanDerWaalsContact O-N 3.08Å; L158-K160 VanDerWaalsContact C-N 3.27Å; L158-K160 PolarHBondContact O-N 3.19Å; L158-F164 HydrophobicContact CD1-CE2 4.39Å; L158-R226 HydrophobicContact CD1-CG 3.77Å; L158-R226 HydrophobicContact CG-CG 4.06Å; L158-R226 VanDerWaalsContact O-CD 3.32Å; L158-R226 WeakPolarHBondContact O-CD 3.29Å; L158-R226 WeakPolarHBondContact O-CG 3.43Å; L158-R226 PolarHBondContact O-NE 3.28Å; L158-R226 VanDerWaalsContact O-NE 3.1Å; L158-L229 HydrophobicContact CD1-CB 3.84Å; L158-R230 HydrophobicContact CD1-CB 4.34Å; L158-R230 HydrophobicContact CD2-CB 4.07Å; L158-R230 HydrophobicContact CD2-CG 4.08Å
159	D	93.6	Very high	96.2	Very high	131 Å²	131	36.4 Å²	36.4	70%	0.701	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-79.7	-10.2	-175.8	-62	-45.2	0	0	0	113.8	Y157 R226	Y157-D159 VanDerWaalsContact C-N 3.31Å; Y157-D159 PolarHBondContact O-N 2.99Å; D159-R226 PolarHBondContact O-NH1 3.26Å; D159-R226 PolarHBondContact O-NH2 3.35Å
160	K	94.8	Very high	96.1	Very high	117 Å²	117	36.8 Å²	36.8	51%	0.509	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-94.7	-21.6	-174.5	-66.1	173	-176	155.5	0	114	S82 H156 Y157 L158	S82-K160 WeakPolarHBondContact CB-O 3.49Å; S82-K160 PolarHBondContact OG-O 3.04Å; H156-K160 PolarHBondContact O-NZ 3.22Å; Y157-K160 HydrophobicContact CD1-CD 3.88Å; Y157-K160 PolarHBondContact O-N 2.99Å; L158-K160 VanDerWaalsContact C-N 3.27Å; L158-K160 PolarHBondContact O-N 3.19Å
161	Y	96	Very high	96	Very high	15 Å²	15	36.8 Å²	36.8	6%	0.059	17%	0.174	C	C	.	.			trans	-131.5	143.7	-176.5	-64.2	-92.1	0	0	0	112.2	K81 S82 F85 R113 Y157 F164 R226	K81-Y161 WeakPolarHBondContact O-CE1 2.95Å; S82-Y161 WeakPolarHBondContact O-CA 3.38Å; F85-Y161 HydrophobicContact CB-CD1 4.15Å; F85-Y161 HydrophobicContact CB-CD2 3.99Å; F85-Y161 HydrophobicContact CB-CE2 4.46Å; F85-Y161 HydrophobicContact CB-CG 3.82Å; F85-Y161 AromaticContact CD2-CD2 3.93Å; F85-Y161 HydrophobicContact CD2-CD2 3.93Å; F85-Y161 AromaticContact CD2-CE2 3.7Å; F85-Y161 HydrophobicContact CD2-CE2 3.7Å; F85-Y161 HydrophobicContact CG-CD2 4.45Å; R113-Y161 HydrophobicContact CB-CE1 4.18Å; R113-Y161 WeakPolarHBondContact CB-OH 3.41Å; Y157-Y161 HydrophobicContact CD1-CD2 4.42Å; Y157-Y161 AromaticContact CD1-CE2 3.85Å; Y157-Y161 HydrophobicContact CD1-CE2 3.85Å; Y157-Y161 HydrophobicContact CG-CE2 4.3Å; Y157-Y161 PolarHBondContact O-N 3.19Å; Y161-F164 WeakPolarHBondContact O-CE2 3.33Å; Y161-R226 PolarHBondContact O-NE 3.02Å; Y161-R226 PolarHBondContact O-NH2 2.76Å
162	E	94.4	Very high	96	Very high	68 Å²	68	33.8 Å²	33.8	32%	0.318	16%	0.161	S	C	.	.	S	Bend	trans	-79.2	-36.7	179.5	-67	-177.2	-135.5	0	0	112.6	F83 S187 R226	F83-E162 PolarHBondContact O-N 3.22Å; E162-S187 PolarHBondContact OE2-OG 2.86Å; E162-R226 WeakPolarHBondContact O-CB 3.42Å; E162-R226 PolarHBondContact O-N 3.22Å
163	W	97.4	Very high	95.9	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.8	-176	-65.1	99	0	0	0	111.2	F83 L84 F85 L182 L185 I191 L193 I223	F83-W163 AromaticContact CE2-CD1 3.77Å; F83-W163 AromaticContact CE2-NE1 4Å; F83-W163 AromaticContact CZ-CD1 3.83Å; F83-W163 PolarHBondContact O-N 2.87Å; F83-W163 VanDerWaalsContact O-N 3.13Å; L84-W163 HydrophobicContact CD1-CB 3.63Å; F85-W163 PolarHBondContact N-O 2.8Å; W163-L182 HydrophobicContact CB-CD1 4.1Å; W163-L182 HydrophobicContact CD2-CB 4.46Å; W163-L182 HydrophobicContact CD2-CD1 4.29Å; W163-L182 HydrophobicContact CD2-CD2 4.05Å; W163-L182 HydrophobicContact CD2-CG 4.5Å; W163-L182 HydrophobicContact CE3-CD2 4.06Å; W163-L182 HydrophobicContact CG-CB 4.46Å; W163-L182 HydrophobicContact CG-CD1 3.96Å; W163-L182 HydrophobicContact CH2-CD2 4.46Å; W163-L182 HydrophobicContact CZ2-CD2 4.47Å; W163-L182 HydrophobicContact CZ3-CD2 4.26Å; W163-L185 HydrophobicContact CH2-CB 3.98Å; W163-L185 HydrophobicContact CH2-CD1 4.3Å; W163-L185 HydrophobicContact CZ2-CB 3.83Å; W163-I191 HydrophobicContact CH2-CB 4.15Å; W163-I191 HydrophobicContact CH2-CD1 4Å; W163-I191 HydrophobicContact CH2-CG2 4.1Å; W163-I191 HydrophobicContact CZ3-CB 4.15Å; W163-I191 HydrophobicContact CZ3-CG2 4.04Å; W163-L193 HydrophobicContact CZ3-CD1 4.4Å; W163-I223 HydrophobicContact CE3-CG2 3.76Å; W163-I223 HydrophobicContact CZ3-CG2 4.33Å
164	F	97.9	Very high	95.8	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	135.4	179.3	-64.7	-90.6	0	0	0	109.1	F85 M153 Y157 L158 Y161 I223 M224 R226 L229	F85-F164 HydrophobicContact CB-CD1 3.84Å; F85-F164 HydrophobicContact CB-CE1 4.03Å; F85-F164 HydrophobicContact CG-CD1 4.42Å; F85-F164 CarbonylContact O-C 3.58Å; F85-F164 VanDerWaalsContact O-CA 3.31Å; F85-F164 WeakPolarHBondContact O-CA 3.33Å; M153-F164 HydrophobicContact CB-CD1 4.22Å; M153-F164 HydrophobicContact CE-CB 3.69Å; M153-F164 HydrophobicContact CE-CD1 3.61Å; M153-F164 HydrophobicContact CE-CG 4.13Å; Y157-F164 WeakPolarHBondContact O-CZ 2.79Å; L158-F164 HydrophobicContact CD1-CE2 4.39Å; Y161-F164 WeakPolarHBondContact O-CE2 3.33Å; F164-I223 CarbonylContact O-C 3.45Å; F164-I223 WeakPolarHBondContact O-CA 3.45Å; F164-M224 PolarHBondContact N-O 2.86Å; F164-M224 PolarHBondContact O-N 3.18Å; F164-R226 HydrophobicContact CE2-CB 4.07Å; F164-R226 HydrophobicContact CE2-CG 4.24Å; F164-L229 HydrophobicContact CB-CD1 3.61Å; F164-L229 HydrophobicContact CB-CG 4.41Å; F164-L229 HydrophobicContact CD1-CD1 3.63Å; F164-L229 HydrophobicContact CD2-CD1 3.63Å; F164-L229 HydrophobicContact CD2-CG 4.37Å; F164-L229 HydrophobicContact CE1-CD1 4.22Å; F164-L229 HydrophobicContact CE2-CD1 4.23Å; F164-L229 HydrophobicContact CG-CD1 3.3Å; F164-L229 HydrophobicContact CG-CG 4.35Å
165	M	97.8	Very high	95.7	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.6	179.6	-177.9	174.4	179.9	0	0	110.8	L84 F85 V86 G87 A167 I173 L178 V222 I223 T299	L84-M165 HydrophobicContact CD1-CB 4.14Å; F85-M165 PolarHBondContact O-N 3.37Å; V86-M165 CarbonylContact C-O 3.54Å; V86-M165 WeakPolarHBondContact CA-O 3.27Å; V86-M165 HydrophobicContact CG1-CB 4.27Å; V86-M165 HydrophobicContact CG1-CG 4.34Å; V86-M165 HydrophobicContact CG2-CB 4.2Å; G87-M165 PolarHBondContact N-O 3.24Å; M165-A167 HydrophobicContact CE-CB 4.39Å; M165-I173 HydrophobicContact CE-CD1 3.5Å; M165-I173 HydrophobicContact CE-CG1 4.29Å; M165-I173 HydrophobicContact SD-CD1 3.75Å; M165-L178 HydrophobicContact SD-CD2 3.85Å; M165-V222 CarbonylContact C-O 3.53Å; M165-V222 VanDerWaalsContact CA-O 3.3Å; M165-V222 WeakPolarHBondContact CA-O 3.43Å; M165-I223 HydrophobicContact CB-CG1 4.2Å; M165-I223 HydrophobicContact CG-CG1 3.92Å; M165-I223 HydrophobicContact SD-CG1 4.1Å; M165-T299 HydrophobicContact CE-CG2 3.9Å
166	R	96.6	Very high	95.4	Very high	9 Å²	9	32.4 Å²	32.4	3%	0.034	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125	166	173.3	-95.5	-172.3	-123.3	-3.1	108.4	M149 L150 D168 G218 G221 V222 E248	M149-R166 HydrophobicContact CE-CB 3.64Å; M149-R166 HydrophobicContact CE-CG 3.29Å; L150-R166 HydrophobicContact CD2-CB 4.41Å; R166-D168 IonicContact CZ-OD1 3.62Å; R166-D168 VanDerWaalsContact CZ-OD1 3.23Å; R166-D168 IonicContact NH1-OD1 3.87Å; R166-D168 PolarHBondContact NH1-OD1 2.93Å; R166-D168 IonicContact NH1-OD2 3.02Å; R166-D168 PolarHBondContact NH1-OD2 3.09Å; R166-D168 IonicContact NH2-OD1 2.69Å; R166-D168 PolarHBondContact NH2-OD1 3.05Å; R166-D168 VanDerWaalsContact NH2-OD1 3.11Å; R166-D168 IonicContact NH2-OD2 3.74Å; R166-G218 PolarHBondContact NH1-O 3.43Å; R166-G221 CarbonylContact O-C 3.36Å; R166-G221 WeakPolarHBondContact O-CA 3.21Å; R166-V222 PolarHBondContact N-O 3.23Å; R166-V222 PolarHBondContact O-N 3.06Å; R166-E248 IonicContact CZ-OE1 3.1Å; R166-E248 IonicContact CZ-OE2 3.68Å; R166-E248 IonicContact NE-OE1 3.97Å; R166-E248 PolarHBondContact NE-OE1 2.71Å; R166-E248 VanDerWaalsContact NE-OE1 3.14Å; R166-E248 IonicContact NE-OE2 2.96Å; R166-E248 IonicContact NH2-OE1 3.41Å; R166-E248 IonicContact NH2-OE2 2.67Å; R166-E248 PolarHBondContact NH2-OE2 2.95Å
167	A	96.2	Very high	95.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	150.6	-177.6	0	0	0	0	0	111	V86 G87 V88 M89 M165 V171 I173	V86-A167 HydrophobicContact CG1-CB 4.05Å; G87-A167 PolarHBondContact O-N 2.66Å; V88-A167 CarbonylContact C-O 3.47Å; V88-A167 WeakPolarHBondContact CA-O 3.4Å; V88-A167 HydrophobicContact CG2-CB 4.43Å; M89-A167 PolarHBondContact N-O 3.43Å; M165-A167 HydrophobicContact CE-CB 4.39Å; A167-V171 HydrophobicContact CB-CG1 3.89Å; A167-I173 HydrophobicContact CB-CD1 4.39Å
168	D	94.8	Very high	95.1	Very high	30 Å²	30	32.9 Å²	32.9	16%	0.16	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	159.4	170.2	-76.2	-17.2	0	0	0	111.7	M89 R166 D170 V171 G219	M89-D168 WeakPolarHBondContact CE-OD1 3.21Å; R166-D168 IonicContact CZ-OD1 3.62Å; R166-D168 VanDerWaalsContact CZ-OD1 3.23Å; R166-D168 IonicContact NH1-OD1 3.87Å; R166-D168 PolarHBondContact NH1-OD1 2.93Å; R166-D168 IonicContact NH1-OD2 3.02Å; R166-D168 PolarHBondContact NH1-OD2 3.09Å; R166-D168 IonicContact NH2-OD1 2.69Å; R166-D168 PolarHBondContact NH2-OD1 3.05Å; R166-D168 VanDerWaalsContact NH2-OD1 3.11Å; R166-D168 IonicContact NH2-OD2 3.74Å; D168-D170 VanDerWaalsContact CB-OD1 3.31Å; D168-D170 WeakPolarHBondContact CB-OD1 3.37Å; D168-D170 PolarHBondContact O-N 3.19Å; D168-D170 VanDerWaalsContact O-N 3.15Å; D168-V171 WeakPolarHBondContact O-CG1 3.43Å; D168-V171 PolarHBondContact O-N 3.01Å; D168-G219 WeakPolarHBondContact OD2-CA 3.38Å
169	D	94.4	Very high	95.1	Very high	14 Å²	14	34.5 Å²	34.5	8%	0.075	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.4	178.9	69.8	18.2	0	0	0	115.1	V88 M89 T90 Y94 R98	V88-D169 HydrophobicContact CG1-CB 4.38Å; M89-D169 PolarHBondContact O-N 2.86Å; T90-D169 PolarHBondContact OG1-OD2 2.93Å; Y94-D169 VanDerWaalsContact CB-OD2 3.23Å; Y94-D169 WeakPolarHBondContact CB-OD2 3.24Å; Y94-D169 VanDerWaalsContact CD2-OD2 3.22Å; Y94-D169 WeakPolarHBondContact CD2-OD2 3.27Å; R98-D169 HydrophobicContact CB-CB 4.14Å; R98-D169 WeakPolarHBondContact CD-OD1 3.42Å; R98-D169 IonicContact CZ-OD1 3.38Å; R98-D169 IonicContact NH1-OD1 3.01Å; R98-D169 PolarHBondContact NH1-OD1 3.03Å; R98-D169 VanDerWaalsContact NH1-OD1 3.08Å
170	D	94.1	Very high	95.1	Very high	9 Å²	9	32.4 Å²	32.4	5%	0.048	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	19.3	-179.5	63.9	-7.6	0	0	0	113	D168 H301 P302 N303 K304	D168-D170 VanDerWaalsContact CB-OD1 3.31Å; D168-D170 WeakPolarHBondContact CB-OD1 3.37Å; D168-D170 PolarHBondContact O-N 3.19Å; D168-D170 VanDerWaalsContact O-N 3.15Å; D170-H301 IonicContact OD1-CD2 3.85Å; D170-H301 PolarHBondContact OD1-CD2 2.71Å; D170-H301 IonicContact OD1-NE2 2.6Å; D170-H301 PolarHBondContact OD1-NE2 3.04Å; D170-H301 IonicContact OD2-NE2 3.57Å; D170-P302 CarbonylContact O-C 3.56Å; D170-N303 WeakPolarHBondContact CA-O 3.44Å; D170-N303 VanDerWaalsContact CB-C 3.48Å; D170-N303 VanDerWaalsContact CB-O 3.3Å; D170-N303 WeakPolarHBondContact CB-O 3.34Å; D170-N303 WeakPolarHBondContact O-CA 3.33Å; D170-N303 WeakPolarHBondContact O-CB 3.44Å; D170-N303 PolarHBondContact O-N 3.3Å; D170-K304 HydrophobicContact CB-CG 3.95Å; D170-K304 WeakPolarHBondContact OD2-CE 3.33Å; D170-K304 WeakPolarHBondContact OD2-CG 3.21Å
171	V	95.3	Very high	95	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.			trans	-92.3	147.6	167.6	78.3	0	0	0	0	111.5	W106 A167 D168 I173 H301	W106-V171 HydrophobicContact CZ2-CG1 4.13Å; W106-V171 PolarHBondContact NE1-O 3.04Å; A167-V171 HydrophobicContact CB-CG1 3.89Å; D168-V171 WeakPolarHBondContact O-CG1 3.43Å; D168-V171 PolarHBondContact O-N 3.01Å; V171-I173 HydrophobicContact CG1-CD1 4.16Å; V171-I173 HydrophobicContact CG1-CG1 3.9Å; V171-I173 HydrophobicContact CG2-CG1 4.41Å; V171-H301 HydrophobicContact CG2-CB 4.26Å
172	Y	95.8	Very high	95	Very high	12 Å²	12	28.2 Å²	28.2	5%	0.047	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127	162.5	-173.2	-72	0	0	0	110.1	W106 K174 T299 L300 L312 H313 L316	W106-Y172 HydrophobicContact CB-CE1 4.36Å; W106-Y172 HydrophobicContact CB-CE2 4.33Å; W106-Y172 AromaticContact CD1-CD2 3.83Å; Y172-K174 HydrophobicContact CD1-CG 4.42Å; Y172-K174 HydrophobicContact CE1-CG 4.13Å; Y172-T299 CarbonylContact O-C 3.58Å; Y172-T299 WeakPolarHBondContact O-CA 3.31Å; Y172-L300 PolarHBondContact N-O 3.15Å; Y172-L300 PolarHBondContact O-N 2.96Å; Y172-L312 HydrophobicContact CD2-CD2 3.82Å; Y172-L312 HydrophobicContact CD2-CG 4.12Å; Y172-L312 HydrophobicContact CE2-CG 4.45Å; Y172-L312 HydrophobicContact CG-CD2 3.77Å; Y172-L312 HydrophobicContact CG-CG 4.35Å; Y172-H313 HydrophobicContact CE2-CB 3.85Å; Y172-H313 AromaticContact CE2-ND1 3.72Å; Y172-H313 AromaticContact CZ-ND1 3.66Å; Y172-H313 PolarHBondContact OH-ND1 2.95Å; Y172-L316 HydrophobicContact CD1-CD1 3.74Å; Y172-L316 HydrophobicContact CE1-CD1 3.15Å; Y172-L316 HydrophobicContact CE2-CD1 4.22Å; Y172-L316 VanDerWaalsContact CZ-CD1 3.43Å
173	I	96.7	Very high	95	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131.2	-178.7	-53	-175.5	0	0	0	110.7	V86 W106 I110 M165 A167 V171 S175 L178 T299	V86-I173 HydrophobicContact CG1-CD1 4.39Å; W106-I173 WeakPolarHBondContact CB-O 3.38Å; W106-I173 HydrophobicContact CD2-CB 3.95Å; W106-I173 HydrophobicContact CD2-CD1 4.47Å; W106-I173 HydrophobicContact CD2-CG1 4.09Å; W106-I173 HydrophobicContact CE3-CB 3.81Å; W106-I173 HydrophobicContact CE3-CD1 3.96Å; W106-I173 HydrophobicContact CE3-CG1 3.99Å; W106-I173 HydrophobicContact CG-CB 4.31Å; W106-I173 HydrophobicContact CH2-CD1 3.64Å; W106-I173 HydrophobicContact CH2-CG1 4.18Å; W106-I173 HydrophobicContact CZ2-CD1 4.16Å; W106-I173 HydrophobicContact CZ2-CG1 4.24Å; W106-I173 HydrophobicContact CZ3-CB 4.31Å; W106-I173 HydrophobicContact CZ3-CD1 3.54Å; W106-I173 HydrophobicContact CZ3-CG1 4.06Å; I110-I173 HydrophobicContact CD1-CG2 4.11Å; M165-I173 HydrophobicContact CE-CD1 3.5Å; M165-I173 HydrophobicContact CE-CG1 4.29Å; M165-I173 HydrophobicContact SD-CD1 3.75Å; A167-I173 HydrophobicContact CB-CD1 4.39Å; V171-I173 HydrophobicContact CG1-CD1 4.16Å; V171-I173 HydrophobicContact CG1-CG1 3.9Å; V171-I173 HydrophobicContact CG2-CG1 4.41Å; I173-S175 PolarHBondContact O-N 2.98Å; I173-L178 HydrophobicContact CG2-CB 4.37Å; I173-L178 HydrophobicContact CG2-CD2 3.62Å; I173-T299 HydrophobicContact CG1-CG2 4.24Å; I173-T299 HydrophobicContact CG2-CG2 4.43Å
174	K	95.6	Very high	94.7	Very high	26 Å²	26	35 Å²	35	11%	0.113	17%	0.173	C	C	.	.			trans	-91.7	89.2	170.4	-62.2	-176.2	-163.8	158.4	0	110.1	Y172 E176 R177 L178 I294 H295 A297 I298 L316	Y172-K174 HydrophobicContact CD1-CG 4.42Å; Y172-K174 HydrophobicContact CE1-CG 4.13Å; K174-E176 PolarHBondContact O-N 3.46Å; K174-R177 HydrophobicContact CB-CB 4.27Å; K174-R177 HydrophobicContact CB-CG 4.5Å; K174-R177 PolarHBondContact O-N 2.89Å; K174-L178 PolarHBondContact O-N 3.29Å; K174-I294 PolarHBondContact NZ-O 2.71Å; K174-H295 PolarHBondContact NZ-O 3.12Å; K174-A297 WeakPolarHBondContact CD-O 3.34Å; K174-A297 WeakPolarHBondContact CE-O 3.31Å; K174-A297 PolarHBondContact NZ-O 3.43Å; K174-I298 WeakPolarHBondContact CB-O 3.44Å; K174-I298 PolarHBondContact N-O 3.37Å; K174-L316 HydrophobicContact CG-CD1 4.47Å
175	S	93.4	Very high	94.5	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.028	19%	0.187	C	C	.	.	H	α-helix	trans	-52	-45.8	-170.7	-49.3	0	0	0	0	114.5	W106 T109 I110 I173 R177 L178 E179	W106-S175 PolarHBondContact O-OG 2.94Å; T109-S175 WeakPolarHBondContact O-CB 3.46Å; T109-S175 WeakPolarHBondContact OG1-CB 3.33Å; T109-S175 PolarHBondContact OG1-OG 3.16Å; I110-S175 VanDerWaalsContact CD1-OG 3.28Å; I110-S175 WeakPolarHBondContact CD1-OG 3.49Å; I173-S175 PolarHBondContact O-N 2.98Å; S175-R177 VanDerWaalsContact C-N 3.33Å; S175-R177 PolarHBondContact O-N 3.04Å; S175-L178 WeakPolarHBondContact O-CB 3.43Å; S175-L178 PolarHBondContact O-N 2.99Å; S175-E179 WeakPolarHBondContact O-CB 3.25Å; S175-E179 PolarHBondContact O-N 3.02Å
176	E	90.8	Very high	94.2	Very high	114 Å²	114	41.2 Å²	41.2	53%	0.533	21%	0.206	S	C	.	.	H	α-helix	trans	-63.4	-38	-179.9	-63.8	-178.3	151.6	0	0	112.8	K174 S180 K320	K174-E176 PolarHBondContact O-N 3.46Å; E176-S180 WeakPolarHBondContact O-CB 3.47Å; E176-S180 PolarHBondContact O-N 3.29Å; E176-K320 VanDerWaalsContact OE1-CE 3.23Å; E176-K320 WeakPolarHBondContact OE1-CE 3.48Å; E176-K320 IonicContact OE1-NZ 3.08Å; E176-K320 PolarHBondContact OE1-NZ 3.17Å; E176-K320 VanDerWaalsContact OE2-CE 3.29Å; E176-K320 WeakPolarHBondContact OE2-CE 3.23Å; E176-K320 IonicContact OE2-NZ 3.34Å; E176-K320 PolarHBondContact OE2-NZ 2.87Å
177	R	91.9	Very high	93.8	Very high	122 Å²	122	41.8 Å²	41.8	46%	0.46	21%	0.211	S	C	.	.	H	α-helix	trans	-72.3	-39.8	176.8	-70.8	-168.7	172.6	-135.7	-2.1	111.4	K174 S175 E179 F181 H295 R296 I298	K174-R177 HydrophobicContact CB-CB 4.27Å; K174-R177 HydrophobicContact CB-CG 4.5Å; K174-R177 PolarHBondContact O-N 2.89Å; S175-R177 VanDerWaalsContact C-N 3.33Å; S175-R177 PolarHBondContact O-N 3.04Å; R177-E179 VanDerWaalsContact C-N 3.34Å; R177-F181 VanDerWaalsContact O-CB 3.27Å; R177-F181 WeakPolarHBondContact O-CB 3.35Å; R177-F181 PolarHBondContact O-N 3.05Å; R177-H295 PolarHBondContact NH1-O 3.34Å; R177-H295 PolarHBondContact NH2-O 3.37Å; R177-R296 PolarHBondContact NH1-O 2.67Å; R177-R296 VanDerWaalsContact NH1-O 3.16Å; R177-I298 HydrophobicContact CB-CG1 4.22Å
178	L	95.6	Very high	93.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-46.8	175.6	179.1	57.4	0	0	0	110.7	L84 I110 M165 I173 K174 S175 F181 L182 I223 I298	L84-L178 HydrophobicContact CD2-CD2 3.51Å; L84-L178 HydrophobicContact CD2-CG 4.16Å; I110-L178 HydrophobicContact CD1-CD2 4.4Å; M165-L178 HydrophobicContact SD-CD2 3.85Å; I173-L178 HydrophobicContact CG2-CB 4.37Å; I173-L178 HydrophobicContact CG2-CD2 3.62Å; K174-L178 PolarHBondContact O-N 3.29Å; S175-L178 WeakPolarHBondContact O-CB 3.43Å; S175-L178 PolarHBondContact O-N 2.99Å; L178-F181 PolarHBondContact O-N 2.89Å; L178-L182 HydrophobicContact CD1-CD1 3.86Å; L178-L182 HydrophobicContact CD1-CG 4.03Å; L178-L182 HydrophobicContact CG-CD1 4.09Å; L178-L182 WeakPolarHBondContact O-CG 3.46Å; L178-L182 PolarHBondContact O-N 3.27Å; L178-I223 HydrophobicContact CD1-CD1 3.49Å; L178-I223 VanDerWaalsContact CD1-CD1 3.49Å; L178-I298 HydrophobicContact CB-CG2 3.59Å; L178-I298 HydrophobicContact CD1-CG2 3.9Å; L178-I298 HydrophobicContact CG-CG2 4.28Å
179	E	94.6	Very high	93.5	Very high	49 Å²	49	50.2 Å²	50.2	23%	0.229	26%	0.26	C	S	.	.	H	α-helix	trans	-61.2	-52.5	177.5	-176.9	179.8	179.1	0	0	111.7	F83 P111 S175 R177 F181 L182 R183	F83-E179 HydrophobicContact CD1-CG 4.26Å; F83-E179 HydrophobicContact CE1-CB 4.35Å; F83-E179 HydrophobicContact CE1-CG 3.88Å; F83-E179 HydrophobicContact CZ-CG 4.5Å; P111-E179 HydrophobicContact CG-CB 4Å; P111-E179 HydrophobicContact CG-CG 3.91Å; P111-E179 WeakPolarHBondContact CG-OE2 3.23Å; S175-E179 WeakPolarHBondContact O-CB 3.25Å; S175-E179 PolarHBondContact O-N 3.02Å; R177-E179 VanDerWaalsContact C-N 3.34Å; E179-F181 PolarHBondContact O-N 3.31Å; E179-L182 PolarHBondContact O-N 2.82Å; E179-R183 HydrophobicContact CG-CG 4.24Å; E179-R183 WeakPolarHBondContact O-CB 3.02Å; E179-R183 WeakPolarHBondContact O-CG 3.43Å; E179-R183 PolarHBondContact O-N 2.93Å; E179-R183 IonicContact OE1-CZ 2.88Å; E179-R183 IonicContact OE1-NE 3.01Å; E179-R183 PolarHBondContact OE1-NE 3.35Å; E179-R183 IonicContact OE1-NH2 3.91Å; E179-R183 PolarHBondContact OE1-NH2 3.23Å
180	S	93.2	Very high	93.6	Very high	87 Å²	87	50.6 Å²	50.6	61%	0.608	27%	0.265	S	S	*	.	H	α-helix	trans	-57.9	-36.4	178.8	178.7	0	0	0	0	112.3	E176	E176-S180 WeakPolarHBondContact O-CB 3.47Å; E176-S180 PolarHBondContact O-N 3.29Å
181	F	93.4	Very high	93.7	Very high	45 Å²	45	51.4 Å²	51.4	20%	0.197	27%	0.269	C	S	.	.	H	α-helix	trans	-67.6	-51.4	175.2	175.4	-112.7	0	0	0	111.9	R177 L178 E179 R183 S184 L185 L193 M270 L273 I298	R177-F181 VanDerWaalsContact O-CB 3.27Å; R177-F181 WeakPolarHBondContact O-CB 3.35Å; R177-F181 PolarHBondContact O-N 3.05Å; L178-F181 PolarHBondContact O-N 2.89Å; E179-F181 PolarHBondContact O-N 3.31Å; F181-R183 VanDerWaalsContact C-N 3.35Å; F181-R183 PolarHBondContact O-N 2.85Å; F181-S184 WeakPolarHBondContact O-CB 3.46Å; F181-S184 PolarHBondContact O-N 3.46Å; F181-S184 VanDerWaalsContact O-N 3.17Å; F181-S184 PolarHBondContact O-OG 2.87Å; F181-L185 HydrophobicContact CE1-CD1 4.25Å; F181-L185 HydrophobicContact CZ-CD1 4.19Å; F181-L193 HydrophobicContact CE1-CD1 4.06Å; F181-L193 HydrophobicContact CZ-CD1 4.49Å; F181-M270 HydrophobicContact CZ-SD 4.38Å; F181-L273 HydrophobicContact CE2-CD1 4.28Å; F181-I298 HydrophobicContact CB-CD1 3.81Å; F181-I298 HydrophobicContact CD1-CD1 3.91Å; F181-I298 HydrophobicContact CD2-CD1 4.45Å; F181-I298 HydrophobicContact CG-CD1 3.81Å
182	L	94.9	Very high	93.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67.1	-32.9	-178.2	-67.4	179.6	0	0	0	113.3	F83 L84 W163 L178 E179 S184 L185 L193 I223	F83-L182 HydrophobicContact CE1-CB 4.06Å; F83-L182 HydrophobicContact CE1-CD1 4.41Å; F83-L182 HydrophobicContact CZ-CB 3.67Å; L84-L182 HydrophobicContact CD1-CD1 4.2Å; L84-L182 HydrophobicContact CD2-CD1 4.45Å; W163-L182 HydrophobicContact CB-CD1 4.1Å; W163-L182 HydrophobicContact CD2-CB 4.46Å; W163-L182 HydrophobicContact CD2-CD1 4.29Å; W163-L182 HydrophobicContact CD2-CD2 4.05Å; W163-L182 HydrophobicContact CD2-CG 4.5Å; W163-L182 HydrophobicContact CE3-CD2 4.06Å; W163-L182 HydrophobicContact CG-CB 4.46Å; W163-L182 HydrophobicContact CG-CD1 3.96Å; W163-L182 HydrophobicContact CH2-CD2 4.46Å; W163-L182 HydrophobicContact CZ2-CD2 4.47Å; W163-L182 HydrophobicContact CZ3-CD2 4.26Å; L178-L182 HydrophobicContact CD1-CD1 3.86Å; L178-L182 HydrophobicContact CD1-CG 4.03Å; L178-L182 HydrophobicContact CG-CD1 4.09Å; L178-L182 WeakPolarHBondContact O-CG 3.46Å; L178-L182 PolarHBondContact O-N 3.27Å; E179-L182 PolarHBondContact O-N 2.82Å; L182-S184 PolarHBondContact O-N 3.38Å; L182-L185 HydrophobicContact CD2-CD1 4.41Å; L182-L185 PolarHBondContact O-N 3.19Å; L182-L193 HydrophobicContact CD2-CD1 4.16Å; L182-I223 HydrophobicContact CD1-CD1 4.41Å; L182-I223 HydrophobicContact CD1-CG2 4.41Å; L182-I223 HydrophobicContact CD2-CD1 4.08Å; L182-I223 HydrophobicContact CD2-CG2 4.01Å
183	R	94	Very high	93.8	Very high	121 Å²	121	51.4 Å²	51.4	46%	0.457	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.1	175.2	-73.2	-172.1	-176.9	-67.1	-2.7	113.6	F83 E179 F181 L185	F83-R183 HydrophobicContact CE1-CG 4.4Å; F83-R183 HydrophobicContact CE2-CG 3.77Å; F83-R183 HydrophobicContact CZ-CG 3.57Å; E179-R183 HydrophobicContact CG-CG 4.24Å; E179-R183 WeakPolarHBondContact O-CB 3.02Å; E179-R183 WeakPolarHBondContact O-CG 3.43Å; E179-R183 PolarHBondContact O-N 2.93Å; E179-R183 IonicContact OE1-CZ 2.88Å; E179-R183 IonicContact OE1-NE 3.01Å; E179-R183 PolarHBondContact OE1-NE 3.35Å; E179-R183 IonicContact OE1-NH2 3.91Å; E179-R183 PolarHBondContact OE1-NH2 3.23Å; F181-R183 VanDerWaalsContact C-N 3.35Å; F181-R183 PolarHBondContact O-N 2.85Å; R183-L185 VanDerWaalsContact C-N 3.26Å
184	S	92.6	Very high	93.6	Very high	89 Å²	89	51.3 Å²	51.3	62%	0.622	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-3.1	173.6	76	0	0	0	0	114.1	F181 L182	F181-S184 WeakPolarHBondContact O-CB 3.46Å; F181-S184 PolarHBondContact O-N 3.46Å; F181-S184 VanDerWaalsContact O-N 3.17Å; F181-S184 PolarHBondContact O-OG 2.87Å; L182-S184 PolarHBondContact O-N 3.38Å
185	L	93.2	Very high	93.4	Very high	58 Å²	58	50.3 Å²	50.3	30%	0.304	27%	0.265	S	S	.	.	S	Bend	trans	-116.4	152.7	-175.2	-57.2	178.4	0	0	0	110.8	W163 F181 L182 R183 S187 I191 L193	W163-L185 HydrophobicContact CH2-CB 3.98Å; W163-L185 HydrophobicContact CH2-CD1 4.3Å; W163-L185 HydrophobicContact CZ2-CB 3.83Å; F181-L185 HydrophobicContact CE1-CD1 4.25Å; F181-L185 HydrophobicContact CZ-CD1 4.19Å; L182-L185 HydrophobicContact CD2-CD1 4.41Å; L182-L185 PolarHBondContact O-N 3.19Å; R183-L185 VanDerWaalsContact C-N 3.26Å; L185-S187 PolarHBondContact O-N 2.78Å; L185-I191 HydrophobicContact CB-CD1 4.36Å; L185-L193 HydrophobicContact CD1-CD1 3.63Å
186	N	90.8	Very high	93.1	Very high	76 Å²	76	50.5 Å²	50.5	41%	0.406	27%	0.266	S	S	.	.			trans	-85.1	106.5	177.2	-176.8	3.5	0	0	0	110.8	S188 E189 I191	N186-S188 PolarHBondContact O-N 3.16Å; N186-S188 WeakPolarHBondContact OD1-CB 3.49Å; N186-S188 PolarHBondContact OD1-N 2.82Å; N186-S188 VanDerWaalsContact OD1-N 3.14Å; N186-E189 HydrophobicContact CB-CG 4.46Å; N186-E189 PolarHBondContact ND2-OE1 3.12Å; N186-E189 PolarHBondContact O-N 2.89Å; N186-I191 VanDerWaalsContact O-CD1 3.3Å; N186-I191 WeakPolarHBondContact O-CD1 3.42Å
187	S	88.4	Confident	92.7	Very high	21 Å²	21	45.3 Å²	45.3	15%	0.147	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.2	-179.1	55.8	0	0	0	0	114.5	E162 L185 E189	E162-S187 PolarHBondContact OE2-OG 2.86Å; L185-S187 PolarHBondContact O-N 2.78Å; S187-E189 VanDerWaalsContact C-N 3.34Å
188	S	90.3	Very high	91.7	Very high	94 Å²	94	44.7 Å²	44.7	66%	0.657	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-15.6	176.3	-59.7	0	0	0	0	113.4	N186	N186-S188 PolarHBondContact O-N 3.16Å; N186-S188 WeakPolarHBondContact OD1-CB 3.49Å; N186-S188 PolarHBondContact OD1-N 2.82Å; N186-S188 VanDerWaalsContact OD1-N 3.14Å
189	E	94.9	Very high	90.2	Very high	112 Å²	112	46 Å²	46	52%	0.523	26%	0.26	S	S	.	.	S	Bend	trans	-88.1	148.8	175.2	-73.7	172.5	-149.8	0	0	111	N186 S187 I191 S225	N186-E189 HydrophobicContact CB-CG 4.46Å; N186-E189 PolarHBondContact ND2-OE1 3.12Å; N186-E189 PolarHBondContact O-N 2.89Å; S187-E189 VanDerWaalsContact C-N 3.34Å; E189-I191 HydrophobicContact CB-CD1 4.17Å; E189-I191 HydrophobicContact CB-CG1 4.13Å; E189-I191 PolarHBondContact O-N 2.99Å; E189-S225 VanDerWaalsContact O-CB 3.24Å; E189-S225 WeakPolarHBondContact O-CB 3.39Å; E189-S225 PolarHBondContact O-OG 3.06Å
190	A	96.5	Very high	88.6	Confident	22 Å²	22	45.7 Å²	45.7	18%	0.182	27%	0.266	C	S	.	.			trans	-69.2	97.3	174.8	0	0	0	0	0	109.8	E227 V228 V262	A190-E227 HydrophobicContact CB-CG 4.08Å; A190-V228 HydrophobicContact CB-CG2 4.08Å; A190-V262 HydrophobicContact CB-CG1 3.79Å; A190-V262 HydrophobicContact CB-CG2 4.3Å; A190-V262 WeakPolarHBondContact O-CG1 3.44Å
191	I	96.2	Very high	86.8	Confident	26 Å²	26	53.3 Å²	53.3	13%	0.133	28%	0.282	C	S	.	.			trans	-118.8	130.3	-177.9	-65.6	172.4	0	0	0	110.2	W163 L185 N186 E189 L193 S225 V228	W163-I191 HydrophobicContact CH2-CB 4.15Å; W163-I191 HydrophobicContact CH2-CD1 4Å; W163-I191 HydrophobicContact CH2-CG2 4.1Å; W163-I191 HydrophobicContact CZ3-CB 4.15Å; W163-I191 HydrophobicContact CZ3-CG2 4.04Å; L185-I191 HydrophobicContact CB-CD1 4.36Å; N186-I191 VanDerWaalsContact O-CD1 3.3Å; N186-I191 WeakPolarHBondContact O-CD1 3.42Å; E189-I191 HydrophobicContact CB-CD1 4.17Å; E189-I191 HydrophobicContact CB-CG1 4.13Å; E189-I191 PolarHBondContact O-N 2.99Å; I191-L193 HydrophobicContact CG2-CD1 3.57Å; I191-L193 HydrophobicContact CG2-CD2 3.99Å; I191-L193 HydrophobicContact CG2-CG 3.52Å; I191-S225 PolarHBondContact N-OG 2.94Å; I191-S225 PolarHBondContact O-N 3.44Å; I191-S225 PolarHBondContact O-OG 3.15Å; I191-V228 WeakPolarHBondContact O-CG2 3.47Å
192	F	96.6	Very high	85	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.018	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	112.6	179.2	-173.5	-132.1	0	0	0	110.9	C216 V222 M224 V256 V262 C264 V265	F192-C216 HydrophobicContact CE1-CB 4.07Å; F192-C216 VanDerWaalsContact CE1-SG 3.56Å; F192-C216 HydrophobicContact CZ-CB 3.94Å; F192-V222 HydrophobicContact CD2-CG1 3.99Å; F192-V222 HydrophobicContact CE2-CG1 3.12Å; F192-V222 HydrophobicContact CZ-CG1 3.59Å; F192-M224 HydrophobicContact CD2-CE 4.45Å; F192-M224 HydrophobicContact CD2-CG 3.72Å; F192-M224 HydrophobicContact CE2-CE 3.64Å; F192-M224 HydrophobicContact CE2-CG 3.87Å; F192-M224 HydrophobicContact CZ-CE 4.48Å; F192-V256 HydrophobicContact CB-CG1 4.24Å; F192-V256 HydrophobicContact CD1-CG1 3.95Å; F192-V256 HydrophobicContact CD2-CG1 4.37Å; F192-V256 HydrophobicContact CD2-CG2 4.48Å; F192-V256 HydrophobicContact CE1-CB 4.48Å; F192-V256 HydrophobicContact CE1-CG1 4.39Å; F192-V256 HydrophobicContact CE2-CG2 4.19Å; F192-V256 HydrophobicContact CG-CG1 3.96Å; F192-V256 HydrophobicContact CZ-CG2 4.26Å; F192-V262 HydrophobicContact CB-CG2 4.19Å; F192-C264 HydrophobicContact CD1-CB 4.08Å; F192-C264 HydrophobicContact CE1-CB 4.17Å; F192-V265 PolarHBondContact O-N 3.42Å; F192-V265 VanDerWaalsContact O-N 3.15Å
193	L	95.3	Very high	83.2	Confident	8 Å²	8	59.7 Å²	59.7	4%	0.042	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146.8	-166.6	-61.2	162.8	0	0	0	111.5	W163 F181 L182 L185 I191 V222 I223 V265 M270	W163-L193 HydrophobicContact CZ3-CD1 4.4Å; F181-L193 HydrophobicContact CE1-CD1 4.06Å; F181-L193 HydrophobicContact CZ-CD1 4.49Å; L182-L193 HydrophobicContact CD2-CD1 4.16Å; L185-L193 HydrophobicContact CD1-CD1 3.63Å; I191-L193 HydrophobicContact CG2-CD1 3.57Å; I191-L193 HydrophobicContact CG2-CD2 3.99Å; I191-L193 HydrophobicContact CG2-CG 3.52Å; L193-V222 CarbonylContact O-C 3.48Å; L193-V222 WeakPolarHBondContact O-CA 3.45Å; L193-I223 HydrophobicContact CB-CB 4.17Å; L193-I223 PolarHBondContact N-O 3.48Å; L193-I223 PolarHBondContact O-N 3.43Å; L193-V265 HydrophobicContact CD2-CB 3.96Å; L193-V265 HydrophobicContact CD2-CG2 3.6Å; L193-M270 HydrophobicContact CB-CE 3.88Å; L193-M270 HydrophobicContact CD2-CE 3.92Å
194	G	93.3	Very high	81.3	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.4	-173.4	174.9	0	0	0	0	0	109.5	T196 M270	G194-T196 PolarHBondContact O-N 3.06Å; G194-M270 WeakPolarHBondContact O-CE 3.49Å
195	Q	91.5	Very high	79.7	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.019	34%	0.335	C	S	.	.			trans	-74.3	122.2	173.3	-167.4	177.8	-17.6	0	0	110.1	G197 C216 M217 P220 Q271 F274 Y278	Q195-G197 PolarHBondContact O-N 3.37Å; Q195-C216 CarbonylContact O-C 3.55Å; Q195-C216 WeakPolarHBondContact O-CA 3.45Å; Q195-M217 HydrophobicContact CB-CE 3.55Å; Q195-M217 HydrophobicContact CG-CE 3.17Å; Q195-M217 PolarHBondContact O-N 2.69Å; Q195-P220 HydrophobicContact CB-CG 4.32Å; Q195-Q271 HydrophobicContact CG-CB 4.46Å; Q195-Q271 HydrophobicContact CG-CG 4.11Å; Q195-F274 HydrophobicContact CB-CB 3.86Å; Q195-F274 PolarHBondContact OE1-O 2.72Å; Q195-Y278 PolarHBondContact NE2-OH 2.85Å
196	T	88.3	Confident	78.2	Confident	9 Å²	9	64.3 Å²	64.3	6%	0.055	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	126.8	-177.5	-32.1	0	0	0	0	112.3	G194 N214 F215 C264 V265 W266	G194-T196 PolarHBondContact O-N 3.06Å; T196-N214 HydrophobicContact CG2-CB 3.63Å; T196-F215 CarbonylContact C-O 3.58Å; T196-F215 WeakPolarHBondContact CA-O 3.48Å; T196-C264 HydrophobicContact CG2-CB 4.36Å; T196-V265 PolarHBondContact OG1-O 3.31Å; T196-W266 HydrophobicContact CG2-CE3 3.45Å; T196-W266 VanDerWaalsContact CG2-CE3 3.45Å; T196-W266 HydrophobicContact CG2-CZ3 3.57Å
197	G	81.7	Confident	77.2	Confident	5 Å²	5	60.9 Å²	60.9	5%	0.052	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	143.3	171	0	0	0	0	0	111.9	Q195 F215	Q195-G197 PolarHBondContact O-N 3.37Å; G197-F215 PolarHBondContact N-O 2.96Å; G197-F215 WeakPolarHBondContact O-CD1 3.38Å; G197-F215 PolarHBondContact O-N 2.98Å
198	M	71.3	Confident	76.5	Confident	108 Å²	108	62.4 Å²	62.4	53%	0.532	35%	0.348	S	S	.	.			trans	-121.5	9.8	169.5	-65.7	-171	-67.5	0	0	112.2	W266	M198-W266 HydrophobicContact CE-CH2 3.48Å; M198-W266 VanDerWaalsContact CE-CH2 3.48Å; M198-W266 HydrophobicContact CE-CZ2 4.29Å; M198-W266 HydrophobicContact CE-CZ3 4.32Å; M198-W266 HydrophobicContact CG-CH2 3.71Å; M198-W266 HydrophobicContact CG-CZ3 3.54Å; M198-W266 HydrophobicContact SD-CH2 3.17Å; M198-W266 WeakPolarHBondContact SD-CH2 3.27Å; M198-W266 HydrophobicContact SD-CZ2 4.13Å; M198-W266 HydrophobicContact SD-CZ3 3.57Å; M198-W266 VanDerWaalsContact SD-CZ3 3.57Å
199	G	63.2	Low	75.8	Confident	27 Å²	27	60.2 Å²	60.2	28%	0.278	33%	0.329	S	S	.	.			trans	82.2	150.3	-166	0	0	0	0	0	113.5
200	A	60.3	Low	74.9	Confident	43 Å²	43	60.9 Å²	60.9	36%	0.355	33%	0.332	S	S	.	.			trans	-69.1	159.5	172.4	0	0	0	0	0	110.6	D202 E203 L204	A200-D202 WeakPolarHBondContact CB-OD1 3.38Å; A200-D202 PolarHBondContact O-N 2.94Å; A200-D202 VanDerWaalsContact O-N 3.09Å; A200-E203 HydrophobicContact CB-CB 4.39Å; A200-E203 HydrophobicContact CB-CG 4.35Å; A200-E203 CarbonylContact O-C 3.59Å; A200-E203 PolarHBondContact O-N 3.05Å; A200-L204 PolarHBondContact O-N 2.84Å
201	R	56.3	Low	73.8	Confident	247 Å²	247	66.5 Å²	66.5	93%	0.932	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.9	-175.5	-63.2	-176.4	89.9	178.3	5.7	112.7
202	D	55	Low	72.7	Confident	117 Å²	117	68.7 Å²	68.7	63%	0.626	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-9.8	177	53.1	-44.6	0	0	0	114.4	A200 K206	A200-D202 WeakPolarHBondContact CB-OD1 3.38Å; A200-D202 PolarHBondContact O-N 2.94Å; A200-D202 VanDerWaalsContact O-N 3.09Å; D202-K206 PolarHBondContact O-NZ 3.34Å
203	E	56.9	Low	72.1	Confident	63 Å²	63	69.9 Å²	69.9	29%	0.294	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-2.9	176.6	-63.5	-175.7	158.5	0	0	112.9	A200 G205 K206 L207 H247	A200-E203 HydrophobicContact CB-CB 4.39Å; A200-E203 HydrophobicContact CB-CG 4.35Å; A200-E203 CarbonylContact O-C 3.59Å; A200-E203 PolarHBondContact O-N 3.05Å; E203-G205 PolarHBondContact O-N 3.36Å; E203-K206 PolarHBondContact O-N 2.96Å; E203-L207 HydrophobicContact CB-CG 4.49Å; E203-H247 IonicContact OE1-CE1 3.07Å
204	L	54.8	Low	71.8	Confident	132 Å²	132	70.4 Å²	70.4	69%	0.691	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	111.1	176.3	-152.9	87.5	0	0	0	109.4	A200	A200-L204 PolarHBondContact O-N 2.84Å
205	G	58.4	Low	71.6	Confident	77 Å²	77	71 Å²	71	79%	0.794	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.9	-10.3	-174.7	0	0	0	0	0	115.7	E203	E203-G205 PolarHBondContact O-N 3.36Å
206	K	62.3	Low	71.7	Confident	156 Å²	156	70.8 Å²	70.8	68%	0.678	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-16	174	-64.2	179.3	-174.4	153.3	0	113.6	D202 E203 A208	D202-K206 PolarHBondContact O-NZ 3.34Å; E203-K206 PolarHBondContact O-N 2.96Å; K206-A208 VanDerWaalsContact C-N 3.34Å
207	L	70	Confident	71.8	Confident	4 Å²	4	71.8 Å²	71.8	2%	0.021	41%	0.41	C	S	.	.	S	Bend	trans	-88	0.5	-178	-59.6	-179.6	0	0	0	113.9	E203 L209 F215 T245 H247 V250 R254	E203-L207 HydrophobicContact CB-CG 4.49Å; L207-L209 VanDerWaalsContact C-N 3.26Å; L207-L209 HydrophobicContact CB-CD1 4.03Å; L207-L209 HydrophobicContact CB-CG 4.03Å; L207-L209 HydrophobicContact CD1-CD1 4.26Å; L207-L209 PolarHBondContact O-N 2.92Å; L207-F215 HydrophobicContact CD1-CE1 4.11Å; L207-F215 HydrophobicContact CD1-CZ 4.43Å; L207-T245 VanDerWaalsContact O-CG2 3.28Å; L207-T245 WeakPolarHBondContact O-CG2 3.47Å; L207-H247 VanDerWaalsContact CD2-CD2 3.47Å; L207-H247 WeakPolarHBondContact CD2-CD2 3.14Å; L207-V250 HydrophobicContact CD1-CG2 4.45Å; L207-V250 HydrophobicContact CD2-CG2 4.33Å; L207-R254 PolarHBondContact O-NH2 2.89Å; L207-R254 VanDerWaalsContact O-NH2 3.11Å
208	A	72.9	Confident	72	Confident	52 Å²	52	71.7 Å²	71.7	43%	0.43	41%	0.409	S	S	.	.			trans	47.5	49.8	-176.4	0	0	0	0	0	112.2	K206 T245 R254	K206-A208 VanDerWaalsContact C-N 3.34Å; A208-T245 HydrophobicContact CB-CG2 4.43Å; A208-R254 PolarHBondContact O-NH2 3.02Å; A208-R254 VanDerWaalsContact O-NH2 3.1Å
209	L	77.2	Confident	72.8	Confident	49 Å²	49	67 Å²	67	26%	0.257	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-103.8	131.1	174.3	-67.5	173.3	0	0	0	109	L207 E213 F215 V250	L207-L209 VanDerWaalsContact C-N 3.26Å; L207-L209 HydrophobicContact CB-CD1 4.03Å; L207-L209 HydrophobicContact CB-CG 4.03Å; L207-L209 HydrophobicContact CD1-CD1 4.26Å; L207-L209 PolarHBondContact O-N 2.92Å; L209-E213 WeakPolarHBondContact CA-OE2 3.47Å; L209-E213 HydrophobicContact CB-CB 4.28Å; L209-E213 HydrophobicContact CD2-CB 4.08Å; L209-F215 HydrophobicContact CD1-CD1 3.91Å; L209-F215 HydrophobicContact CD1-CE1 4.01Å; L209-V250 HydrophobicContact CD2-CG1 4.22Å
210	E	75.9	Confident	74.1	Confident	125 Å²	125	65.8 Å²	65.8	58%	0.584	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-70.4	163.5	172.7	-53.8	-176.9	150.9	0	0	111.7	G212 E213 R257	E210-G212 PolarHBondContact O-N 3.44Å; E210-G212 VanDerWaalsContact O-N 3.12Å; E210-E213 HydrophobicContact CB-CG 3.57Å; E210-E213 HydrophobicContact CG-CG 4.34Å; E210-E213 VanDerWaalsContact N-CD 3.27Å; E210-E213 PolarHBondContact N-OE2 3.14Å; E210-E213 WeakPolarHBondContact O-CG 3.22Å; E210-E213 PolarHBondContact O-N 3.38Å; E210-E213 VanDerWaalsContact O-N 3.09Å; E210-R257 IonicContact OE2-NH2 2.57Å
211	P	72.1	Confident	75.7	Confident	140 Å²	140	63.7 Å²	63.7	91%	0.909	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	119.2	173.2	-24.5	35.3	0	0	0	111.7
212	G	74.1	Confident	77.7	Confident	72 Å²	72	52.2 Å²	52.2	74%	0.742	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	1.2	-179.5	0	0	0	0	0	114.8	E210	E210-G212 PolarHBondContact O-N 3.44Å; E210-G212 VanDerWaalsContact O-N 3.12Å
213	E	83.6	Confident	79.7	Confident	29 Å²	29	46.7 Å²	46.7	14%	0.136	29%	0.286	C	S	.	.			trans	-80.9	150.6	169.7	-41.7	-161.2	128.5	0	0	112.1	L209 E210 R257	L209-E213 WeakPolarHBondContact CA-OE2 3.47Å; L209-E213 HydrophobicContact CB-CB 4.28Å; L209-E213 HydrophobicContact CD2-CB 4.08Å; E210-E213 HydrophobicContact CB-CG 3.57Å; E210-E213 HydrophobicContact CG-CG 4.34Å; E210-E213 VanDerWaalsContact N-CD 3.27Å; E210-E213 PolarHBondContact N-OE2 3.14Å; E210-E213 WeakPolarHBondContact O-CG 3.22Å; E210-E213 PolarHBondContact O-N 3.38Å; E210-E213 VanDerWaalsContact O-N 3.09Å; E213-R257 IonicContact OE1-CZ 2.79Å; E213-R257 IonicContact OE1-NE 3.77Å; E213-R257 PolarHBondContact OE1-NE 3Å; E213-R257 IonicContact OE1-NH1 3.98Å; E213-R257 PolarHBondContact OE1-NH1 2.8Å; E213-R257 IonicContact OE1-NH2 3.33Å; E213-R257 PolarHBondContact OE1-NH2 2.84Å
214	N	88.3	Confident	81.6	Confident	19 Å²	19	43.8 Å²	43.8	10%	0.102	27%	0.273	C	S	.	.			trans	-144.1	169.5	175.6	70	31.1	0	0	0	111.3	T196 C264 W266	T196-N214 HydrophobicContact CG2-CB 3.63Å; N214-C264 PolarHBondContact ND2-O 3.31Å; N214-C264 WeakPolarHBondContact OD1-CA 3.26Å; N214-C264 VanDerWaalsContact OD1-CB 3.27Å; N214-C264 WeakPolarHBondContact OD1-CB 3.46Å; N214-C264 PolarHBondContact OD1-N 3.2Å; N214-C264 PolarHBondContact OD1-O 3.24Å; N214-W266 HydrophobicContact CB-CE3 4.28Å; N214-W266 HydrophobicContact CB-CZ3 4.41Å
215	F	90.4	Very high	83.6	Confident	12 Å²	12	37.5 Å²	37.5	5%	0.053	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	164.1	172.9	64	-81.5	0	0	0	110.5	T196 G197 L207 L209 M217 D249 V250 C264	T196-F215 CarbonylContact C-O 3.58Å; T196-F215 WeakPolarHBondContact CA-O 3.48Å; G197-F215 PolarHBondContact N-O 2.96Å; G197-F215 WeakPolarHBondContact O-CD1 3.38Å; G197-F215 PolarHBondContact O-N 2.98Å; L207-F215 HydrophobicContact CD1-CE1 4.11Å; L207-F215 HydrophobicContact CD1-CZ 4.43Å; L209-F215 HydrophobicContact CD1-CD1 3.91Å; L209-F215 HydrophobicContact CD1-CE1 4.01Å; F215-M217 HydrophobicContact CD2-CG 4.47Å; F215-M217 HydrophobicContact CE2-CG 3.82Å; F215-M217 HydrophobicContact CZ-CG 4.45Å; F215-D249 HydrophobicContact CD2-CB 4.13Å; F215-D249 HydrophobicContact CE2-CB 4.4Å; F215-D249 WeakPolarHBondContact CE2-OD2 3.46Å; F215-V250 HydrophobicContact CD1-CG2 3.9Å; F215-V250 HydrophobicContact CD2-CG2 3.99Å; F215-V250 HydrophobicContact CE1-CG2 3.77Å; F215-V250 HydrophobicContact CE2-CG2 3.85Å; F215-V250 HydrophobicContact CG-CG2 4.01Å; F215-V250 HydrophobicContact CZ-CG2 3.74Å; F215-C264 VanDerWaalsContact C-CB 3.49Å
216	C	92.9	Very high	85.4	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123.3	171.5	-64.3	0	0	0	0	108.5	F192 Q195 V222 C264	F192-C216 HydrophobicContact CE1-CB 4.07Å; F192-C216 VanDerWaalsContact CE1-SG 3.56Å; F192-C216 HydrophobicContact CZ-CB 3.94Å; Q195-C216 CarbonylContact O-C 3.55Å; Q195-C216 WeakPolarHBondContact O-CA 3.45Å; C216-V222 HydrophobicContact CB-CB 4.41Å; C216-V222 HydrophobicContact CB-CG1 3.81Å; C216-V222 HydrophobicContact CB-CG2 3.84Å; C216-C264 WeakPolarHBondContact CA-SG 3.24Å; C216-C264 HydrophobicContact CB-CB 4.07Å; C216-C264 WeakPolarHBondContact CB-SG 3.22Å; C216-C264 WeakPolarHBondContact SG-CB 3.45Å; C216-C264 CovalentContact SG-SG 2.04Å; C216-C264 PolarHBondContact SG-SG 3.38Å
217	M	90.4	Very high	87	Confident	30 Å²	30	31.1 Å²	31.1	15%	0.148	19%	0.189	C	C	.	.			trans	-65.2	137.3	178.8	-71.2	179.8	-61.7	0	0	111.5	Q195 F215 V222 D249 Y278	Q195-M217 HydrophobicContact CB-CE 3.55Å; Q195-M217 HydrophobicContact CG-CE 3.17Å; Q195-M217 PolarHBondContact O-N 2.69Å; F215-M217 HydrophobicContact CD2-CG 4.47Å; F215-M217 HydrophobicContact CE2-CG 3.82Å; F215-M217 HydrophobicContact CZ-CG 4.45Å; M217-V222 WeakPolarHBondContact O-CG2 3.38Å; M217-D249 WeakPolarHBondContact CA-OD2 3.49Å; M217-Y278 WeakPolarHBondContact CE-OH 3.43Å; M217-Y278 PolarHBondContact SD-OH 3.04Å
218	G	86.4	Confident	88.3	Confident	2 Å²	2	31 Å²	31	2%	0.021	19%	0.188	C	C	.	.	S	Bend	trans	-65.9	-45.9	-173.3	0	0	0	0	0	114.8	R166 G221 D249	R166-G218 PolarHBondContact NH1-O 3.43Å; G218-G221 WeakPolarHBondContact O-CA 3.33Å; G218-G221 PolarHBondContact O-N 3.38Å; G218-D249 PolarHBondContact N-OD2 3.11Å
219	G	87.3	Confident	89.5	Confident	11 Å²	11	28.5 Å²	28.5	11%	0.113	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-59.2	-169.6	0	0	0	0	0	115	D168 G221 H301	D168-G219 WeakPolarHBondContact OD2-CA 3.38Å; G219-G221 PolarHBondContact O-N 2.95Å; G219-H301 PolarHBondContact O-CD2 3.39Å
220	P	90.9	Very high	90.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-11.6	176.3	-24.5	35.6	0	0	0	114.5	Q195 F274 E276 T299 H301	Q195-P220 HydrophobicContact CB-CG 4.32Å; P220-F274 HydrophobicContact CB-CB 3.83Å; P220-E276 VanDerWaalsContact CD-OE2 3.28Å; P220-E276 WeakPolarHBondContact CD-OE2 3.43Å; P220-E276 HydrophobicContact CG-CB 4.02Å; P220-E276 WeakPolarHBondContact CG-OE2 3.5Å; P220-T299 WeakPolarHBondContact O-CB 3.38Å; P220-T299 WeakPolarHBondContact O-CG2 3.42Å; P220-T299 PolarHBondContact O-OG1 3.42Å; P220-H301 HydrophobicContact CG-CB 4.4Å
221	G	94.4	Very high	91.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.			trans	99	149	-178.8	0	0	0	0	0	113.6	R166 G218 G219	R166-G221 CarbonylContact O-C 3.36Å; R166-G221 WeakPolarHBondContact O-CA 3.21Å; G218-G221 WeakPolarHBondContact O-CA 3.33Å; G218-G221 PolarHBondContact O-N 3.38Å; G219-G221 PolarHBondContact O-N 2.95Å
222	V	96.7	Very high	92.6	Very high	6 Å²	6	24.7 Å²	24.7	4%	0.036	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.2	-176	-177.5	0	0	0	0	109	M165 R166 F192 L193 C216 M217 M224	M165-V222 CarbonylContact C-O 3.53Å; M165-V222 VanDerWaalsContact CA-O 3.3Å; M165-V222 WeakPolarHBondContact CA-O 3.43Å; R166-V222 PolarHBondContact N-O 3.23Å; R166-V222 PolarHBondContact O-N 3.06Å; F192-V222 HydrophobicContact CD2-CG1 3.99Å; F192-V222 HydrophobicContact CE2-CG1 3.12Å; F192-V222 HydrophobicContact CZ-CG1 3.59Å; L193-V222 CarbonylContact O-C 3.48Å; L193-V222 WeakPolarHBondContact O-CA 3.45Å; C216-V222 HydrophobicContact CB-CB 4.41Å; C216-V222 HydrophobicContact CB-CG1 3.81Å; C216-V222 HydrophobicContact CB-CG2 3.84Å; M217-V222 WeakPolarHBondContact O-CG2 3.38Å; V222-M224 HydrophobicContact CG1-CE 4.04Å
223	I	97.4	Very high	93.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.3	-178.3	-54.9	168.6	0	0	0	109.8	W163 F164 M165 L178 L182 L193 F274	W163-I223 HydrophobicContact CE3-CG2 3.76Å; W163-I223 HydrophobicContact CZ3-CG2 4.33Å; F164-I223 CarbonylContact O-C 3.45Å; F164-I223 WeakPolarHBondContact O-CA 3.45Å; M165-I223 HydrophobicContact CB-CG1 4.2Å; M165-I223 HydrophobicContact CG-CG1 3.92Å; M165-I223 HydrophobicContact SD-CG1 4.1Å; L178-I223 HydrophobicContact CD1-CD1 3.49Å; L178-I223 VanDerWaalsContact CD1-CD1 3.49Å; L182-I223 HydrophobicContact CD1-CD1 4.41Å; L182-I223 HydrophobicContact CD1-CG2 4.41Å; L182-I223 HydrophobicContact CD2-CD1 4.08Å; L182-I223 HydrophobicContact CD2-CG2 4.01Å; L193-I223 HydrophobicContact CB-CB 4.17Å; L193-I223 PolarHBondContact N-O 3.48Å; L193-I223 PolarHBondContact O-N 3.43Å; I223-F274 HydrophobicContact CD1-CE1 3.9Å; I223-F274 HydrophobicContact CD1-CZ 3.57Å; I223-F274 HydrophobicContact CG1-CE1 4.36Å; I223-F274 HydrophobicContact CG1-CZ 4.39Å
224	M	97.7	Very high	94.2	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.015	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.7	178.4	-62.8	167.3	-164.5	0	0	108.5	L150 F164 F192 V222 V228 L229 V252	L150-M224 HydrophobicContact CD1-CE 3.81Å; L150-M224 HydrophobicContact CD1-SD 4.31Å; L150-M224 HydrophobicContact CD2-CE 4Å; L150-M224 HydrophobicContact CD2-SD 3.91Å; F164-M224 PolarHBondContact N-O 2.86Å; F164-M224 PolarHBondContact O-N 3.18Å; F192-M224 HydrophobicContact CD2-CE 4.45Å; F192-M224 HydrophobicContact CD2-CG 3.72Å; F192-M224 HydrophobicContact CE2-CE 3.64Å; F192-M224 HydrophobicContact CE2-CG 3.87Å; F192-M224 HydrophobicContact CZ-CE 4.48Å; V222-M224 HydrophobicContact CG1-CE 4.04Å; M224-V228 HydrophobicContact CB-CB 4.2Å; M224-V228 HydrophobicContact CB-CG1 4.03Å; M224-V228 HydrophobicContact CG-CG1 3.98Å; M224-V228 HydrophobicContact SD-CG1 4.39Å; M224-L229 HydrophobicContact CB-CD2 4.49Å; M224-L229 HydrophobicContact CB-CG 4.34Å; M224-L229 HydrophobicContact SD-CD2 3.49Å; M224-L229 WeakPolarHBondContact SD-CD2 3.43Å; M224-L229 HydrophobicContact SD-CG 4.32Å; M224-V252 HydrophobicContact CE-CG1 3.65Å
225	S	97.1	Very high	94.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	156.5	162.2	56.7	0	0	0	0	110.9	E189 I191 E227 V228 L229	E189-S225 VanDerWaalsContact O-CB 3.24Å; E189-S225 WeakPolarHBondContact O-CB 3.39Å; E189-S225 PolarHBondContact O-OG 3.06Å; I191-S225 PolarHBondContact N-OG 2.94Å; I191-S225 PolarHBondContact O-N 3.44Å; I191-S225 PolarHBondContact O-OG 3.15Å; S225-E227 PolarHBondContact O-N 3.33Å; S225-V228 PolarHBondContact O-N 3.21Å; S225-V228 VanDerWaalsContact O-N 3.1Å; S225-V228 WeakPolarHBondContact OG-CG2 3.48Å; S225-V228 PolarHBondContact OG-N 3.46Å; S225-L229 PolarHBondContact O-N 3.49Å
226	R	95.7	Very high	94.8	Very high	73 Å²	73	26.4 Å²	26.4	28%	0.275	12%	0.123	S	C	.	.	H	α-helix	trans	-49.1	-41.4	169.9	-174.2	-174.3	-60.8	-156.5	2.6	112.1	L158 D159 Y161 E162 F164 V228 L229 R230	L158-R226 HydrophobicContact CD1-CG 3.77Å; L158-R226 HydrophobicContact CG-CG 4.06Å; L158-R226 VanDerWaalsContact O-CD 3.32Å; L158-R226 WeakPolarHBondContact O-CD 3.29Å; L158-R226 WeakPolarHBondContact O-CG 3.43Å; L158-R226 PolarHBondContact O-NE 3.28Å; L158-R226 VanDerWaalsContact O-NE 3.1Å; D159-R226 PolarHBondContact O-NH1 3.26Å; D159-R226 PolarHBondContact O-NH2 3.35Å; Y161-R226 PolarHBondContact O-NE 3.02Å; Y161-R226 PolarHBondContact O-NH2 2.76Å; E162-R226 WeakPolarHBondContact O-CB 3.42Å; E162-R226 PolarHBondContact O-N 3.22Å; F164-R226 HydrophobicContact CE2-CB 4.07Å; F164-R226 HydrophobicContact CE2-CG 4.24Å; R226-V228 VanDerWaalsContact C-N 3.33Å; R226-V228 PolarHBondContact O-N 3.07Å; R226-L229 PolarHBondContact O-N 3.44Å; R226-R230 WeakPolarHBondContact O-CB 3.49Å; R226-R230 PolarHBondContact O-N 2.88Å
227	E	96.1	Very high	94.8	Very high	26 Å²	26	35.8 Å²	35.8	12%	0.121	16%	0.158	C	C	.	.	H	α-helix	trans	-64.9	-34.1	-177.8	-174.5	60.8	-171.4	0	0	113.1	A190 S225 R230 R231	A190-E227 HydrophobicContact CB-CG 4.08Å; S225-E227 PolarHBondContact O-N 3.33Å; E227-R230 VanDerWaalsContact CD-NH2 3.32Å; E227-R230 IonicContact OE1-CZ 3.82Å; E227-R230 IonicContact OE1-NE 3.55Å; E227-R230 IonicContact OE1-NH2 3.56Å; E227-R230 PolarHBondContact OE1-NH2 3.39Å; E227-R230 IonicContact OE2-CZ 2.64Å; E227-R230 IonicContact OE2-NE 2.67Å; E227-R230 PolarHBondContact OE2-NE 3.28Å; E227-R230 IonicContact OE2-NH2 3.64Å; E227-R230 PolarHBondContact OE2-NH2 2.79Å; E227-R230 VanDerWaalsContact OE2-NH2 3.11Å; E227-R231 WeakPolarHBondContact O-CG 3.49Å; E227-R231 PolarHBondContact O-N 3.32Å; E227-R231 IonicContact OE1-CZ 2.71Å; E227-R231 IonicContact OE1-NE 3.64Å; E227-R231 PolarHBondContact OE1-NE 2.8Å; E227-R231 IonicContact OE1-NH2 2.77Å; E227-R231 PolarHBondContact OE1-NH2 3.33Å
228	V	97.4	Very high	94.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.6	-48.1	175	165.9	0	0	0	0	111.1	A190 I191 M224 S225 R226 R231 M232 V256 A260 V262	A190-V228 HydrophobicContact CB-CG2 4.08Å; I191-V228 WeakPolarHBondContact O-CG2 3.47Å; M224-V228 HydrophobicContact CB-CB 4.2Å; M224-V228 HydrophobicContact CB-CG1 4.03Å; M224-V228 HydrophobicContact CG-CG1 3.98Å; M224-V228 HydrophobicContact SD-CG1 4.39Å; S225-V228 PolarHBondContact O-N 3.21Å; S225-V228 VanDerWaalsContact O-N 3.1Å; S225-V228 WeakPolarHBondContact OG-CG2 3.48Å; S225-V228 PolarHBondContact OG-N 3.46Å; R226-V228 VanDerWaalsContact C-N 3.33Å; R226-V228 PolarHBondContact O-N 3.07Å; V228-R231 PolarHBondContact O-N 3.17Å; V228-M232 VanDerWaalsContact O-CB 3.26Å; V228-M232 WeakPolarHBondContact O-CB 3.27Å; V228-M232 PolarHBondContact O-N 2.85Å; V228-V256 HydrophobicContact CG1-CG1 3.91Å; V228-V256 HydrophobicContact CG1-CG2 4.03Å; V228-A260 HydrophobicContact CG1-CB 4.28Å; V228-A260 HydrophobicContact CG2-CB 4.35Å; V228-V262 HydrophobicContact CG2-CG2 3.88Å
229	L	96.4	Very high	95.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.1	-42.3	178.3	-72.2	-170.2	0	0	0	111.9	L150 L158 F164 M224 S225 R226 R231 M232 V233	L150-L229 HydrophobicContact CB-CD2 4.4Å; L150-L229 HydrophobicContact CD2-CD2 4.24Å; L158-L229 HydrophobicContact CD1-CB 3.84Å; F164-L229 HydrophobicContact CB-CD1 3.61Å; F164-L229 HydrophobicContact CB-CG 4.41Å; F164-L229 HydrophobicContact CD1-CD1 3.63Å; F164-L229 HydrophobicContact CD2-CD1 3.63Å; F164-L229 HydrophobicContact CD2-CG 4.37Å; F164-L229 HydrophobicContact CE1-CD1 4.22Å; F164-L229 HydrophobicContact CE2-CD1 4.23Å; F164-L229 HydrophobicContact CG-CD1 3.3Å; F164-L229 HydrophobicContact CG-CG 4.35Å; M224-L229 HydrophobicContact CB-CD2 4.49Å; M224-L229 HydrophobicContact CB-CG 4.34Å; M224-L229 HydrophobicContact SD-CD2 3.49Å; M224-L229 WeakPolarHBondContact SD-CD2 3.43Å; M224-L229 HydrophobicContact SD-CG 4.32Å; S225-L229 PolarHBondContact O-N 3.49Å; R226-L229 PolarHBondContact O-N 3.44Å; L229-R231 VanDerWaalsContact C-N 3.25Å; L229-R231 PolarHBondContact O-N 3.35Å; L229-M232 HydrophobicContact CD2-CE 3.96Å; L229-M232 PolarHBondContact O-N 3.39Å; L229-V233 HydrophobicContact CB-CG2 4.29Å; L229-V233 HydrophobicContact CD2-CG2 4Å; L229-V233 WeakPolarHBondContact O-CB 3.38Å; L229-V233 WeakPolarHBondContact O-CG2 3.47Å; L229-V233 PolarHBondContact O-N 2.98Å
230	R	96.5	Very high	95.4	Very high	134 Å²	134	39.2 Å²	39.2	51%	0.506	17%	0.172	S	C	.	.	H	α-helix	trans	-56.3	-38.7	178.8	-170.1	178.9	75.6	91.5	-0.4	112.7	L158 R226 E227 P234	L158-R230 HydrophobicContact CD1-CB 4.34Å; L158-R230 HydrophobicContact CD2-CB 4.07Å; L158-R230 HydrophobicContact CD2-CG 4.08Å; R226-R230 WeakPolarHBondContact O-CB 3.49Å; R226-R230 PolarHBondContact O-N 2.88Å; E227-R230 VanDerWaalsContact CD-NH2 3.32Å; E227-R230 IonicContact OE1-CZ 3.82Å; E227-R230 IonicContact OE1-NE 3.55Å; E227-R230 IonicContact OE1-NH2 3.56Å; E227-R230 PolarHBondContact OE1-NH2 3.39Å; E227-R230 IonicContact OE2-CZ 2.64Å; E227-R230 IonicContact OE2-NE 2.67Å; E227-R230 PolarHBondContact OE2-NE 3.28Å; E227-R230 IonicContact OE2-NH2 3.64Å; E227-R230 PolarHBondContact OE2-NH2 2.79Å; E227-R230 VanDerWaalsContact OE2-NH2 3.11Å; R230-P234 WeakPolarHBondContact O-CD 3.49Å
231	R	97.3	Very high	95.4	Very high	100 Å²	100	46 Å²	46	38%	0.377	20%	0.204	S	C	.	.	H	α-helix	trans	-82.6	-37.7	179.5	-66.4	-179.6	-171.4	-172.4	3.9	113.2	E227 V228 L229 H235 A260	E227-R231 WeakPolarHBondContact O-CG 3.49Å; E227-R231 PolarHBondContact O-N 3.32Å; E227-R231 IonicContact OE1-CZ 2.71Å; E227-R231 IonicContact OE1-NE 3.64Å; E227-R231 PolarHBondContact OE1-NE 2.8Å; E227-R231 IonicContact OE1-NH2 2.77Å; E227-R231 PolarHBondContact OE1-NH2 3.33Å; V228-R231 PolarHBondContact O-N 3.17Å; L229-R231 VanDerWaalsContact C-N 3.25Å; L229-R231 PolarHBondContact O-N 3.35Å; R231-H235 PolarHBondContact O-CD2 3.41Å; R231-A260 HydrophobicContact CB-CB 4.09Å
232	M	96.6	Very high	95.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-84.1	-45.5	-171.7	-177.7	-151.5	66.6	0	0	112.9	L150 V228 L229 P234 H235 I236 C255 V256	L150-M232 HydrophobicContact CB-CE 4.4Å; L150-M232 HydrophobicContact CD1-CE 4.1Å; V228-M232 VanDerWaalsContact O-CB 3.26Å; V228-M232 WeakPolarHBondContact O-CB 3.27Å; V228-M232 PolarHBondContact O-N 2.85Å; L229-M232 HydrophobicContact CD2-CE 3.96Å; L229-M232 PolarHBondContact O-N 3.39Å; M232-P234 VanDerWaalsContact C-CD 3.48Å; M232-H235 PolarHBondContact O-N 3.14Å; M232-I236 HydrophobicContact CE-CD1 4.19Å; M232-I236 HydrophobicContact CE-CG1 4.44Å; M232-C255 HydrophobicContact CG-CB 4.29Å; M232-C255 VanDerWaalsContact CG-SG 3.52Å; M232-C255 HydrophobicContact SD-CB 4.33Å; M232-V256 HydrophobicContact CG-CG2 4.33Å; M232-V256 HydrophobicContact SD-CG2 3.46Å; M232-V256 WeakPolarHBondContact SD-CG2 3.34Å
233	V	96.3	Very high	94.6	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.024	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-60.3	-37.9	-168.7	169.5	0	0	0	0	114.8	K151 H154 L229 H235 I236	K151-V233 HydrophobicContact CB-CG1 4.34Å; K151-V233 HydrophobicContact CG-CG1 4.26Å; H154-V233 HydrophobicContact CB-CB 3.93Å; H154-V233 HydrophobicContact CB-CG1 3.73Å; H154-V233 HydrophobicContact CB-CG2 3.68Å; H154-V233 VanDerWaalsContact CG-CG1 3.45Å; H154-V233 WeakPolarHBondContact ND1-CG1 3.42Å; L229-V233 HydrophobicContact CB-CG2 4.29Å; L229-V233 HydrophobicContact CD2-CG2 4Å; L229-V233 WeakPolarHBondContact O-CB 3.38Å; L229-V233 WeakPolarHBondContact O-CG2 3.47Å; L229-V233 PolarHBondContact O-N 2.98Å; V233-H235 PolarHBondContact O-N 2.88Å; V233-I236 HydrophobicContact CB-CD1 4.18Å; V233-I236 HydrophobicContact CG1-CD1 4.04Å; V233-I236 HydrophobicContact CG2-CD1 3.9Å; V233-I236 WeakPolarHBondContact O-CB 3.23Å; V233-I236 PolarHBondContact O-N 3.42Å
234	P	96.9	Very high	93.9	Very high	89 Å²	89	60.4 Å²	60.4	58%	0.578	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-54.4	-22.4	175.1	-28.8	37.1	0	0	0	114.2	R230 M232	R230-P234 WeakPolarHBondContact O-CD 3.49Å; M232-P234 VanDerWaalsContact C-CD 3.48Å
235	H	96.4	Very high	93.3	Very high	71 Å²	71	61 Å²	61	33%	0.329	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-103.4	9.1	-178.2	-58.8	-82.5	0	0	0	114.1	R231 M232 V233 R237 E238 C239 F259	R231-H235 PolarHBondContact O-CD2 3.41Å; M232-H235 PolarHBondContact O-N 3.14Å; V233-H235 PolarHBondContact O-N 2.88Å; H235-R237 PolarHBondContact O-N 2.83Å; H235-R237 VanDerWaalsContact O-N 3.15Å; H235-E238 IonicContact ND1-OE2 2.78Å; H235-E238 WeakPolarHBondContact O-CB 3.43Å; H235-E238 PolarHBondContact O-N 3.31Å; H235-C239 PolarHBondContact O-N 3.09Å; H235-F259 HydrophobicContact CB-CD1 3.69Å; H235-F259 HydrophobicContact CB-CD2 3.63Å; H235-F259 HydrophobicContact CB-CE1 3.64Å; H235-F259 HydrophobicContact CB-CE2 3.58Å; H235-F259 HydrophobicContact CB-CG 3.69Å; H235-F259 HydrophobicContact CB-CZ 3.58Å; H235-F259 AromaticContact CD2-CD1 3.37Å; H235-F259 WeakPolarHBondContact CD2-CD1 3.17Å; H235-F259 AromaticContact CD2-CE1 3.91Å; H235-F259 AromaticContact CD2-CG 3.75Å; H235-F259 AromaticContact CE1-CD1 3.96Å; H235-F259 AromaticContact CE1-CE1 3.93Å; H235-F259 AromaticContact CG-CD1 3.29Å; H235-F259 AromaticContact CG-CE1 3.36Å; H235-F259 AromaticContact CG-CG 3.73Å; H235-F259 AromaticContact CG-CZ 3.86Å; H235-F259 AromaticContact ND1-CD1 3.68Å; H235-F259 AromaticContact ND1-CE1 3.38Å; H235-F259 WeakPolarHBondContact ND1-CE1 3.12Å; H235-F259 AromaticContact NE2-CD1 3.81Å
236	I	93.8	Very high	92.6	Very high	5 Å²	5	65.1 Å²	65.1	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-57.2	-34.6	-177.9	-83.8	178.8	0	0	0	113.2	F147 L150 K151 M232 V233 E238 C239 L240	F147-I236 HydrophobicContact CB-CG2 4.07Å; F147-I236 HydrophobicContact CD1-CD1 4.24Å; F147-I236 HydrophobicContact CD1-CG1 3.97Å; F147-I236 HydrophobicContact CD1-CG2 4.41Å; F147-I236 WeakPolarHBondContact O-CD1 3.46Å; L150-I236 HydrophobicContact CB-CD1 4.49Å; K151-I236 HydrophobicContact CB-CD1 3.87Å; M232-I236 HydrophobicContact CE-CD1 4.19Å; M232-I236 HydrophobicContact CE-CG1 4.44Å; V233-I236 HydrophobicContact CB-CD1 4.18Å; V233-I236 HydrophobicContact CG1-CD1 4.04Å; V233-I236 HydrophobicContact CG2-CD1 3.9Å; V233-I236 WeakPolarHBondContact O-CB 3.23Å; V233-I236 PolarHBondContact O-N 3.42Å; I236-E238 VanDerWaalsContact C-N 3.32Å; I236-E238 PolarHBondContact O-N 2.93Å; I236-C239 PolarHBondContact O-N 2.99Å; I236-L240 HydrophobicContact CG2-CD1 3.78Å; I236-L240 HydrophobicContact CG2-CG 4.25Å; I236-L240 WeakPolarHBondContact O-CB 3.47Å; I236-L240 WeakPolarHBondContact O-CG 3.46Å; I236-L240 PolarHBondContact O-N 2.83Å
237	R	92.1	Very high	92.1	Very high	198 Å²	198	64.6 Å²	64.6	75%	0.747	30%	0.296	S	S	*	.	H	α-helix	trans	-61.5	-42.2	177.2	-169.2	-177.5	77	175.6	2.2	111.6	H235 Q241	H235-R237 PolarHBondContact O-N 2.83Å; H235-R237 VanDerWaalsContact O-N 3.15Å; R237-Q241 VanDerWaalsContact O-CG 3.32Å; R237-Q241 WeakPolarHBondContact O-CG 3.48Å; R237-Q241 PolarHBondContact O-N 3.36Å
238	E	93.9	Very high	91.8	Very high	60 Å²	60	64 Å²	64	28%	0.28	29%	0.293	S	S	.	.	H	α-helix	trans	-65.9	-45.7	176.4	-168.9	-179.3	157.9	0	0	110.1	H235 I236 L240 Q241 E242 R258 F259	H235-E238 IonicContact ND1-OE2 2.78Å; H235-E238 WeakPolarHBondContact O-CB 3.43Å; H235-E238 PolarHBondContact O-N 3.31Å; I236-E238 VanDerWaalsContact C-N 3.32Å; I236-E238 PolarHBondContact O-N 2.93Å; E238-L240 VanDerWaalsContact C-N 3.34Å; E238-L240 PolarHBondContact O-N 2.89Å; E238-Q241 PolarHBondContact O-N 3.24Å; E238-Q241 VanDerWaalsContact O-N 3.15Å; E238-E242 PolarHBondContact O-N 2.91Å; E238-R258 IonicContact OE1-CZ 3.9Å; E238-R258 IonicContact OE1-NE 2.64Å; E238-R258 IonicContact OE1-NH2 2.89Å; E238-R258 PolarHBondContact OE1-NH2 3.44Å; E238-F259 HydrophobicContact CG-CZ 4.33Å; E238-F259 WeakPolarHBondContact OE2-CZ 3.44Å
239	C	92.8	Very high	91.5	Very high	12 Å²	12	65.5 Å²	65.5	8%	0.081	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-38.6	176.9	-63.8	0	0	0	0	113.6	F147 H235 I236 Q241 M243 C255 F259	F147-C239 HydrophobicContact CE1-CB 4.04Å; F147-C239 HydrophobicContact CZ-CB 4.2Å; H235-C239 PolarHBondContact O-N 3.09Å; I236-C239 PolarHBondContact O-N 2.99Å; C239-Q241 VanDerWaalsContact C-N 3.34Å; C239-M243 VanDerWaalsContact O-CG 3.25Å; C239-M243 WeakPolarHBondContact O-CG 3.35Å; C239-C255 HydrophobicContact CB-CB 3.8Å; C239-C255 WeakPolarHBondContact CB-SG 3.31Å; C239-C255 WeakPolarHBondContact SG-CB 3.43Å; C239-C255 CovalentContact SG-SG 2.03Å; C239-C255 PolarHBondContact SG-SG 2.9Å; C239-F259 WeakPolarHBondContact SG-CE2 3.29Å
240	L	90.6	Very high	91.2	Very high	42 Å²	42	65.5 Å²	65.5	22%	0.22	30%	0.301	C	S	.	.	H	α-helix	trans	-71.8	-26.9	177.6	-76.9	171.1	0	0	0	113.3	F147 I236 E238 M243	F147-L240 HydrophobicContact CB-CD1 4.3Å; F147-L240 HydrophobicContact CB-CD2 3.95Å; F147-L240 HydrophobicContact CB-CG 4.21Å; F147-L240 HydrophobicContact CD2-CD2 3.49Å; F147-L240 VanDerWaalsContact CD2-CD2 3.49Å; F147-L240 HydrophobicContact CD2-CG 4.19Å; F147-L240 HydrophobicContact CE2-CD2 4.24Å; F147-L240 HydrophobicContact CG-CD2 3.93Å; F147-L240 HydrophobicContact CG-CG 4.23Å; I236-L240 HydrophobicContact CG2-CD1 3.78Å; I236-L240 HydrophobicContact CG2-CG 4.25Å; I236-L240 WeakPolarHBondContact O-CB 3.47Å; I236-L240 WeakPolarHBondContact O-CG 3.46Å; I236-L240 PolarHBondContact O-N 2.83Å; E238-L240 VanDerWaalsContact C-N 3.34Å; E238-L240 PolarHBondContact O-N 2.89Å; L240-M243 HydrophobicContact CD2-SD 4.35Å
241	Q	90.9	Very high	91	Very high	144 Å²	144	59.4 Å²	59.4	67%	0.673	28%	0.278	S	S	*	.	H	α-helix	trans	-83	-28	178.1	-73.2	175.2	-21.9	0	0	112.3	R237 E238 C239	R237-Q241 VanDerWaalsContact O-CG 3.32Å; R237-Q241 WeakPolarHBondContact O-CG 3.48Å; R237-Q241 PolarHBondContact O-N 3.36Å; E238-Q241 PolarHBondContact O-N 3.24Å; E238-Q241 VanDerWaalsContact O-N 3.15Å; C239-Q241 VanDerWaalsContact C-N 3.34Å
242	E	88.6	Confident	90.9	Very high	81 Å²	81	54.9 Å²	54.9	38%	0.379	26%	0.262	S	S	.	.	S	Bend	trans	-111.1	42.4	-174.5	-60.2	-176.9	-179.7	0	0	112.7	E238 Y244 R258	E238-E242 PolarHBondContact O-N 2.91Å; E242-Y244 WeakPolarHBondContact O-CD2 3.44Å; E242-Y244 WeakPolarHBondContact O-CE2 3.44Å; E242-R258 IonicContact OE1-NH2 3.59Å; E242-R258 IonicContact OE2-CZ 3Å; E242-R258 IonicContact OE2-NH1 2.71Å; E242-R258 PolarHBondContact OE2-NH1 2.82Å; E242-R258 IonicContact OE2-NH2 3.19Å; E242-R258 PolarHBondContact OE2-NH2 2.77Å
243	M	86.3	Confident	90.7	Very high	68 Å²	68	55.1 Å²	55.1	34%	0.335	26%	0.264	S	S	.	.			trans	-79.1	135.3	175.5	-64.4	-171.9	-64.3	0	0	111.2	Q143 F147 C239 L240 E251	Q143-M243 HydrophobicContact CB-SD 3.96Å; Q143-M243 HydrophobicContact CG-SD 4.47Å; F147-M243 HydrophobicContact CE2-SD 4.45Å; C239-M243 VanDerWaalsContact O-CG 3.25Å; C239-M243 WeakPolarHBondContact O-CG 3.35Å; L240-M243 HydrophobicContact CD2-SD 4.35Å; M243-E251 WeakPolarHBondContact CA-OE2 2.95Å; M243-E251 HydrophobicContact CB-CG 4.17Å; M243-E251 HydrophobicContact CG-CG 4.05Å; M243-E251 HydrophobicContact SD-CG 4.19Å
244	Y	83.2	Confident	90.5	Very high	158 Å²	158	57 Å²	57	62%	0.62	27%	0.271	S	S	*	.			trans	-102.3	-21.2	179.7	-63.2	-101.1	0	0	0	113.5	E242 E251	E242-Y244 WeakPolarHBondContact O-CD2 3.44Å; E242-Y244 WeakPolarHBondContact O-CE2 3.44Å; Y244-E251 PolarHBondContact N-OE1 3.04Å; Y244-E251 PolarHBondContact N-OE2 3.09Å
245	T	84.9	Confident	90.4	Very high	16 Å²	16	53 Å²	53	10%	0.098	25%	0.245	C	C	.	.	S	Bend	trans	-131.5	169	-176.7	77.8	0	0	0	0	110.1	Q143 L207 A208 H247 E251	Q143-T245 PolarHBondContact NE2-O 2.73Å; L207-T245 VanDerWaalsContact O-CG2 3.28Å; L207-T245 WeakPolarHBondContact O-CG2 3.47Å; A208-T245 HydrophobicContact CB-CG2 4.43Å; T245-H247 PolarHBondContact OG1-N 3.23Å; T245-E251 WeakPolarHBondContact CA-OE1 3.32Å; T245-E251 WeakPolarHBondContact CB-OE1 3.49Å; T245-E251 PolarHBondContact N-OE1 3.06Å; T245-E251 PolarHBondContact OG1-OE1 2.8Å
246	T	82.1	Confident	90.4	Very high	86 Å²	86	49.6 Å²	49.6	53%	0.528	23%	0.229	S	C	.	.	S	Bend	trans	-90.3	-2.3	172.1	56.7	0	0	0	0	112.6	P141 Q143 E248	P141-T246 WeakPolarHBondContact CB-O 3.04Å; P141-T246 VanDerWaalsContact CG-O 3.25Å; P141-T246 WeakPolarHBondContact CG-O 3.36Å; Q143-T246 VanDerWaalsContact NE2-CA 3.3Å; Q143-T246 PolarHBondContact NE2-O 3.39Å; T246-E248 PolarHBondContact O-N 3.23Å
247	H	85.8	Confident	90.4	Very high	63 Å²	63	53 Å²	53	29%	0.292	24%	0.242	S	C	.	.			trans	-84.6	112.4	-177.7	-67.7	-99	0	0	0	110.5	E203 L207 T245 D249 V250 E251	E203-H247 IonicContact OE1-CE1 3.07Å; L207-H247 VanDerWaalsContact CD2-CD2 3.47Å; L207-H247 WeakPolarHBondContact CD2-CD2 3.14Å; T245-H247 PolarHBondContact OG1-N 3.23Å; H247-D249 PolarHBondContact O-N 3.46Å; H247-V250 HydrophobicContact CB-CB 3.95Å; H247-V250 HydrophobicContact CB-CG2 3.66Å; H247-V250 PolarHBondContact O-N 2.93Å; H247-E251 WeakPolarHBondContact O-CG 3.35Å; H247-E251 PolarHBondContact O-N 3.3Å; H247-E251 VanDerWaalsContact O-N 3.11Å
248	E	89.7	Confident	90.5	Very high	14 Å²	14	48.2 Å²	48.2	7%	0.065	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-45.3	-174.8	168.7	-90.1	158.4	0	0	113.5	Q143 S146 R166 T246 V250 E251 V252	Q143-E248 HydrophobicContact CB-CB 4.5Å; Q143-E248 HydrophobicContact CG-CB 4.07Å; S146-E248 VanDerWaalsContact CB-CG 3.42Å; S146-E248 WeakPolarHBondContact CB-OE1 3.46Å; S146-E248 PolarHBondContact OG-OE1 3.13Å; R166-E248 IonicContact CZ-OE1 3.1Å; R166-E248 IonicContact CZ-OE2 3.68Å; R166-E248 IonicContact NE-OE1 3.97Å; R166-E248 PolarHBondContact NE-OE1 2.71Å; R166-E248 VanDerWaalsContact NE-OE1 3.14Å; R166-E248 IonicContact NE-OE2 2.96Å; R166-E248 IonicContact NH2-OE1 3.41Å; R166-E248 IonicContact NH2-OE2 2.67Å; R166-E248 PolarHBondContact NH2-OE2 2.95Å; T246-E248 PolarHBondContact O-N 3.23Å; E248-V250 VanDerWaalsContact C-N 3.33Å; E248-V250 PolarHBondContact O-N 3.47Å; E248-E251 PolarHBondContact O-N 2.91Å; E248-V252 HydrophobicContact CG-CG2 4.5Å; E248-V252 WeakPolarHBondContact O-CG2 3.45Å; E248-V252 PolarHBondContact O-N 3.23Å
249	D	90.8	Very high	90.6	Very high	30 Å²	30	47.1 Å²	47.1	16%	0.16	22%	0.218	C	C	.	.	H	α-helix	trans	-66.5	-34.1	-178.8	53.8	-5	0	0	0	113	F215 M217 G218 H247 G253	F215-D249 HydrophobicContact CD2-CB 4.13Å; F215-D249 HydrophobicContact CE2-CB 4.4Å; F215-D249 WeakPolarHBondContact CE2-OD2 3.46Å; M217-D249 WeakPolarHBondContact CA-OD2 3.49Å; G218-D249 PolarHBondContact N-OD2 3.11Å; H247-D249 PolarHBondContact O-N 3.46Å; D249-G253 PolarHBondContact O-N 3.44Å
250	V	90.6	Very high	90.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-65	-47.7	171.5	-179.8	0	0	0	0	111.1	L207 L209 F215 H247 E248 G253 R254	L207-V250 HydrophobicContact CD1-CG2 4.45Å; L207-V250 HydrophobicContact CD2-CG2 4.33Å; L209-V250 HydrophobicContact CD2-CG1 4.22Å; F215-V250 HydrophobicContact CD1-CG2 3.9Å; F215-V250 HydrophobicContact CD2-CG2 3.99Å; F215-V250 HydrophobicContact CE1-CG2 3.77Å; F215-V250 HydrophobicContact CE2-CG2 3.85Å; F215-V250 HydrophobicContact CG-CG2 4.01Å; F215-V250 HydrophobicContact CZ-CG2 3.74Å; H247-V250 HydrophobicContact CB-CB 3.95Å; H247-V250 HydrophobicContact CB-CG2 3.66Å; H247-V250 PolarHBondContact O-N 2.93Å; E248-V250 VanDerWaalsContact C-N 3.33Å; E248-V250 PolarHBondContact O-N 3.47Å; V250-G253 PolarHBondContact O-N 2.91Å; V250-R254 WeakPolarHBondContact O-CB 3.24Å; V250-R254 PolarHBondContact O-N 3.43Å
251	E	92.4	Very high	90.9	Very high	5 Å²	5	52.2 Å²	52.2	2%	0.023	24%	0.237	C	C	.	.	H	α-helix	trans	-66.2	-40.3	-180	-63.7	-50.2	136.7	0	0	112.3	F147 M243 Y244 T245 H247 E248 R254 C255	F147-E251 HydrophobicContact CE2-CB 3.99Å; F147-E251 HydrophobicContact CZ-CB 4.11Å; M243-E251 WeakPolarHBondContact CA-OE2 2.95Å; M243-E251 HydrophobicContact CB-CG 4.17Å; M243-E251 HydrophobicContact CG-CG 4.05Å; M243-E251 HydrophobicContact SD-CG 4.19Å; Y244-E251 PolarHBondContact N-OE1 3.04Å; Y244-E251 PolarHBondContact N-OE2 3.09Å; T245-E251 WeakPolarHBondContact CA-OE1 3.32Å; T245-E251 WeakPolarHBondContact CB-OE1 3.49Å; T245-E251 PolarHBondContact N-OE1 3.06Å; T245-E251 PolarHBondContact OG1-OE1 2.8Å; H247-E251 WeakPolarHBondContact O-CG 3.35Å; H247-E251 PolarHBondContact O-N 3.3Å; H247-E251 VanDerWaalsContact O-N 3.11Å; E248-E251 PolarHBondContact O-N 2.91Å; E251-R254 PolarHBondContact O-N 2.92Å; E251-R254 IonicContact OE1-CZ 3.23Å; E251-R254 IonicContact OE1-NH1 2.8Å; E251-R254 PolarHBondContact OE1-NH1 2.79Å; E251-R254 IonicContact OE2-CZ 3.66Å; E251-R254 IonicContact OE2-NH1 3.17Å; E251-R254 PolarHBondContact OE2-NH1 3.32Å; E251-C255 WeakPolarHBondContact O-CB 3.36Å; E251-C255 PolarHBondContact O-N 2.88Å
252	V	93.7	Very high	91.1	Very high	5 Å²	5	47 Å²	47	3%	0.03	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-47.3	173.1	171	0	0	0	0	110.1	F147 L150 M224 E248 R254 C255 V256	F147-V252 HydrophobicContact CE1-CG2 4.14Å; F147-V252 HydrophobicContact CE2-CG2 4.27Å; F147-V252 HydrophobicContact CZ-CG2 4Å; L150-V252 HydrophobicContact CD1-CG1 4.04Å; L150-V252 HydrophobicContact CD1-CG2 4.33Å; M224-V252 HydrophobicContact CE-CG1 3.65Å; E248-V252 HydrophobicContact CG-CG2 4.5Å; E248-V252 WeakPolarHBondContact O-CG2 3.45Å; E248-V252 PolarHBondContact O-N 3.23Å; V252-R254 VanDerWaalsContact C-N 3.33Å; V252-R254 PolarHBondContact O-N 3.06Å; V252-C255 PolarHBondContact O-N 3.38Å; V252-V256 HydrophobicContact CG1-CG2 4.47Å; V252-V256 WeakPolarHBondContact O-CG2 3.45Å; V252-V256 PolarHBondContact O-N 3.34Å
253	G	93.3	Very high	91.3	Very high	5 Å²	5	46.7 Å²	46.7	5%	0.052	21%	0.213	C	C	.	.	H	α-helix	trans	-58.3	-42.5	176.1	0	0	0	0	0	113	D249 V250 V256 R257	D249-G253 PolarHBondContact O-N 3.44Å; V250-G253 PolarHBondContact O-N 2.91Å; G253-V256 PolarHBondContact O-N 2.91Å; G253-R257 WeakPolarHBondContact O-CB 3.4Å; G253-R257 PolarHBondContact O-N 3.31Å
254	R	91.9	Very high	91.6	Very high	45 Å²	45	43.6 Å²	43.6	17%	0.17	20%	0.198	C	C	.	.	H	α-helix	trans	-63.2	-43.9	176.8	-170	-179.6	-68.7	128.7	-1.8	111.8	L207 A208 V250 E251 V252 R257 R258	L207-R254 PolarHBondContact O-NH2 2.89Å; L207-R254 VanDerWaalsContact O-NH2 3.11Å; A208-R254 PolarHBondContact O-NH2 3.02Å; A208-R254 VanDerWaalsContact O-NH2 3.1Å; V250-R254 WeakPolarHBondContact O-CB 3.24Å; V250-R254 PolarHBondContact O-N 3.43Å; E251-R254 PolarHBondContact O-N 2.92Å; E251-R254 IonicContact OE1-CZ 3.23Å; E251-R254 IonicContact OE1-NH1 2.8Å; E251-R254 PolarHBondContact OE1-NH1 2.79Å; E251-R254 IonicContact OE2-CZ 3.66Å; E251-R254 IonicContact OE2-NH1 3.17Å; E251-R254 PolarHBondContact OE2-NH1 3.32Å; V252-R254 VanDerWaalsContact C-N 3.33Å; V252-R254 PolarHBondContact O-N 3.06Å; R254-R257 PolarHBondContact O-N 2.86Å; R254-R258 WeakPolarHBondContact O-CB 3.45Å; R254-R258 PolarHBondContact O-N 2.86Å
255	C	94.5	Very high	91.9	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.027	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-45.6	177.1	-169	0	0	0	0	111.6	F147 M232 C239 E251 V252 R257 R258 F259	F147-C255 HydrophobicContact CE1-CB 3.88Å; F147-C255 HydrophobicContact CZ-CB 4.19Å; M232-C255 HydrophobicContact CG-CB 4.29Å; M232-C255 VanDerWaalsContact CG-SG 3.52Å; M232-C255 HydrophobicContact SD-CB 4.33Å; C239-C255 HydrophobicContact CB-CB 3.8Å; C239-C255 WeakPolarHBondContact CB-SG 3.31Å; C239-C255 WeakPolarHBondContact SG-CB 3.43Å; C239-C255 CovalentContact SG-SG 2.03Å; C239-C255 PolarHBondContact SG-SG 2.9Å; E251-C255 WeakPolarHBondContact O-CB 3.36Å; E251-C255 PolarHBondContact O-N 2.88Å; V252-C255 PolarHBondContact O-N 3.38Å; C255-R257 PolarHBondContact O-N 2.88Å; C255-R258 PolarHBondContact O-N 2.8Å; C255-F259 WeakPolarHBondContact O-CD2 3.09Å; C255-F259 PolarHBondContact O-N 3.01Å
256	V	96	Very high	91.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.209	C	C	.	.	I	π-helix	trans	-58.4	-47.3	174.7	171.8	0	0	0	0	110.8	F192 V228 M232 V252 G253 R258 A260 K261 V262	F192-V256 HydrophobicContact CB-CG1 4.24Å; F192-V256 HydrophobicContact CD1-CG1 3.95Å; F192-V256 HydrophobicContact CD2-CG1 4.37Å; F192-V256 HydrophobicContact CD2-CG2 4.48Å; F192-V256 HydrophobicContact CE1-CB 4.48Å; F192-V256 HydrophobicContact CE1-CG1 4.39Å; F192-V256 HydrophobicContact CE2-CG2 4.19Å; F192-V256 HydrophobicContact CG-CG1 3.96Å; F192-V256 HydrophobicContact CZ-CG2 4.26Å; V228-V256 HydrophobicContact CG1-CG1 3.91Å; V228-V256 HydrophobicContact CG1-CG2 4.03Å; M232-V256 HydrophobicContact CG-CG2 4.33Å; M232-V256 HydrophobicContact SD-CG2 3.46Å; M232-V256 WeakPolarHBondContact SD-CG2 3.34Å; V252-V256 HydrophobicContact CG1-CG2 4.47Å; V252-V256 WeakPolarHBondContact O-CG2 3.45Å; V252-V256 PolarHBondContact O-N 3.34Å; G253-V256 PolarHBondContact O-N 2.91Å; V256-R258 PolarHBondContact O-N 2.8Å; V256-A260 HydrophobicContact CG1-CB 4.12Å; V256-A260 VanDerWaalsContact O-CA 3.3Å; V256-A260 WeakPolarHBondContact O-CA 3.4Å; V256-A260 VanDerWaalsContact O-CB 3.23Å; V256-A260 WeakPolarHBondContact O-CB 3.41Å; V256-A260 PolarHBondContact O-N 3.34Å; V256-K261 PolarHBondContact O-N 2.74Å; V256-V262 HydrophobicContact CG1-CG2 3.83Å
257	R	93.7	Very high	91.7	Very high	77 Å²	77	43.2 Å²	43.2	29%	0.291	20%	0.197	S	C	.	.	I	π-helix	trans	-59.6	-46.4	177.6	178	-179.1	165.8	148.9	-18.8	112.2	E210 E213 G253 R254 C255 K261 V262 Q263	E210-R257 IonicContact OE2-NH2 2.57Å; E213-R257 IonicContact OE1-CZ 2.79Å; E213-R257 IonicContact OE1-NE 3.77Å; E213-R257 PolarHBondContact OE1-NE 3Å; E213-R257 IonicContact OE1-NH1 3.98Å; E213-R257 PolarHBondContact OE1-NH1 2.8Å; E213-R257 IonicContact OE1-NH2 3.33Å; E213-R257 PolarHBondContact OE1-NH2 2.84Å; G253-R257 WeakPolarHBondContact O-CB 3.4Å; G253-R257 PolarHBondContact O-N 3.31Å; R254-R257 PolarHBondContact O-N 2.86Å; C255-R257 PolarHBondContact O-N 2.88Å; R257-K261 WeakPolarHBondContact O-CA 3.24Å; R257-K261 PolarHBondContact O-N 2.94Å; R257-V262 VanDerWaalsContact CA-O 3.22Å; R257-V262 WeakPolarHBondContact CA-O 3.42Å; R257-V262 PolarHBondContact N-O 3.39Å; R257-Q263 HydrophobicContact CB-CG 4.34Å; R257-Q263 HydrophobicContact CG-CG 3.99Å; R257-Q263 VanDerWaalsContact NH1-CD 3.26Å
258	R	94.1	Very high	91.1	Very high	96 Å²	96	48 Å²	48	36%	0.362	21%	0.214	S	C	.	.	I	π-helix	trans	-63.7	-45.4	-176.7	-176.6	169.9	175	163.5	-9	112.1	E238 E242 R254 C255 V256 K261	E238-R258 IonicContact OE1-CZ 3.9Å; E238-R258 IonicContact OE1-NE 2.64Å; E238-R258 IonicContact OE1-NH2 2.89Å; E238-R258 PolarHBondContact OE1-NH2 3.44Å; E242-R258 IonicContact OE1-NH2 3.59Å; E242-R258 IonicContact OE2-CZ 3Å; E242-R258 IonicContact OE2-NH1 2.71Å; E242-R258 PolarHBondContact OE2-NH1 2.82Å; E242-R258 IonicContact OE2-NH2 3.19Å; E242-R258 PolarHBondContact OE2-NH2 2.77Å; R254-R258 WeakPolarHBondContact O-CB 3.45Å; R254-R258 PolarHBondContact O-N 2.86Å; C255-R258 PolarHBondContact O-N 2.8Å; V256-R258 PolarHBondContact O-N 2.8Å; R258-K261 VanDerWaalsContact O-CE 3.31Å; R258-K261 WeakPolarHBondContact O-CE 3.41Å; R258-K261 PolarHBondContact O-NZ 3.44Å
259	F	96.4	Very high	90.6	Very high	37 Å²	37	52.9 Å²	52.9	16%	0.162	24%	0.237	C	C	.	.	I	π-helix	trans	-106	-37.2	-169.4	-63.4	-70.5	0	0	0	114.4	H235 E238 C239 C255	H235-F259 HydrophobicContact CB-CD1 3.69Å; H235-F259 HydrophobicContact CB-CD2 3.63Å; H235-F259 HydrophobicContact CB-CE1 3.64Å; H235-F259 HydrophobicContact CB-CE2 3.58Å; H235-F259 HydrophobicContact CB-CG 3.69Å; H235-F259 HydrophobicContact CB-CZ 3.58Å; H235-F259 AromaticContact CD2-CD1 3.37Å; H235-F259 WeakPolarHBondContact CD2-CD1 3.17Å; H235-F259 AromaticContact CD2-CE1 3.91Å; H235-F259 AromaticContact CD2-CG 3.75Å; H235-F259 AromaticContact CE1-CD1 3.96Å; H235-F259 AromaticContact CE1-CE1 3.93Å; H235-F259 AromaticContact CG-CD1 3.29Å; H235-F259 AromaticContact CG-CE1 3.36Å; H235-F259 AromaticContact CG-CG 3.73Å; H235-F259 AromaticContact CG-CZ 3.86Å; H235-F259 AromaticContact ND1-CD1 3.68Å; H235-F259 AromaticContact ND1-CE1 3.38Å; H235-F259 WeakPolarHBondContact ND1-CE1 3.12Å; H235-F259 AromaticContact NE2-CD1 3.81Å; E238-F259 HydrophobicContact CG-CZ 4.33Å; E238-F259 WeakPolarHBondContact OE2-CZ 3.44Å; C239-F259 WeakPolarHBondContact SG-CE2 3.29Å; C255-F259 WeakPolarHBondContact O-CD2 3.09Å; C255-F259 PolarHBondContact O-N 3.01Å
260	A	95.3	Very high	90.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-86.4	-11.9	175.7	0	0	0	0	0	113.4	V228 R231 V256 V262	V228-A260 HydrophobicContact CG1-CB 4.28Å; V228-A260 HydrophobicContact CG2-CB 4.35Å; R231-A260 HydrophobicContact CB-CB 4.09Å; V256-A260 HydrophobicContact CG1-CB 4.12Å; V256-A260 VanDerWaalsContact O-CA 3.3Å; V256-A260 WeakPolarHBondContact O-CA 3.4Å; V256-A260 VanDerWaalsContact O-CB 3.23Å; V256-A260 WeakPolarHBondContact O-CB 3.41Å; V256-A260 PolarHBondContact O-N 3.34Å; A260-V262 VanDerWaalsContact C-N 3.27Å; A260-V262 HydrophobicContact CB-CG2 4.08Å; A260-V262 PolarHBondContact O-N 2.62Å
261	K	95.4	Very high	89.9	Confident	161 Å²	161	55.5 Å²	55.5	70%	0.7	25%	0.248	S	C	*	.			trans	61.6	29.7	178.8	-53.8	-58.1	-172.5	-167.7	0	114.1	V256 R257 R258	V256-K261 PolarHBondContact O-N 2.74Å; R257-K261 WeakPolarHBondContact O-CA 3.24Å; R257-K261 PolarHBondContact O-N 2.94Å; R258-K261 VanDerWaalsContact O-CE 3.31Å; R258-K261 WeakPolarHBondContact O-CE 3.41Å; R258-K261 PolarHBondContact O-NZ 3.44Å
262	V	94.4	Very high	89.5	Confident	34 Å²	34	57.1 Å²	57.1	21%	0.206	26%	0.255	C	S	.	.			trans	-133.4	155.6	177.3	-62.2	0	0	0	0	110.8	A190 F192 V228 V256 R257 A260	A190-V262 HydrophobicContact CB-CG1 3.79Å; A190-V262 HydrophobicContact CB-CG2 4.3Å; A190-V262 WeakPolarHBondContact O-CG1 3.44Å; F192-V262 HydrophobicContact CB-CG2 4.19Å; V228-V262 HydrophobicContact CG2-CG2 3.88Å; V256-V262 HydrophobicContact CG1-CG2 3.83Å; R257-V262 VanDerWaalsContact CA-O 3.22Å; R257-V262 WeakPolarHBondContact CA-O 3.42Å; R257-V262 PolarHBondContact N-O 3.39Å; A260-V262 VanDerWaalsContact C-N 3.27Å; A260-V262 HydrophobicContact CB-CG2 4.08Å; A260-V262 PolarHBondContact O-N 2.62Å
263	Q	92.6	Very high	89.3	Confident	75 Å²	75	58.8 Å²	58.8	35%	0.35	26%	0.264	S	S	.	.			trans	-118.5	172.1	178.7	-63.6	-172.1	72.5	0	0	110.1	R257 V265	R257-Q263 HydrophobicContact CB-CG 4.34Å; R257-Q263 HydrophobicContact CG-CG 3.99Å; R257-Q263 VanDerWaalsContact NH1-CD 3.26Å; Q263-V265 PolarHBondContact O-N 3.34Å
264	C	92.9	Very high	89.2	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.02	26%	0.261	C	S	.	.			trans	-63.2	133.1	176.4	-166.5	0	0	0	0	109.2	F192 T196 N214 F215 C216 W266	F192-C264 HydrophobicContact CD1-CB 4.08Å; F192-C264 HydrophobicContact CE1-CB 4.17Å; T196-C264 HydrophobicContact CG2-CB 4.36Å; N214-C264 PolarHBondContact ND2-O 3.31Å; N214-C264 WeakPolarHBondContact OD1-CA 3.26Å; N214-C264 VanDerWaalsContact OD1-CB 3.27Å; N214-C264 WeakPolarHBondContact OD1-CB 3.46Å; N214-C264 PolarHBondContact OD1-N 3.2Å; N214-C264 PolarHBondContact OD1-O 3.24Å; F215-C264 VanDerWaalsContact C-CB 3.49Å; C216-C264 WeakPolarHBondContact CA-SG 3.24Å; C216-C264 HydrophobicContact CB-CB 4.07Å; C216-C264 WeakPolarHBondContact CB-SG 3.22Å; C216-C264 WeakPolarHBondContact SG-CB 3.45Å; C216-C264 CovalentContact SG-SG 2.04Å; C216-C264 PolarHBondContact SG-SG 3.38Å; C264-W266 PolarHBondContact O-N 2.66Å; C264-W266 VanDerWaalsContact O-N 3.15Å
265	V	89.8	Confident	89.1	Confident	60 Å²	60	58 Å²	58	36%	0.364	26%	0.26	S	S	.	.			trans	-56.9	123.6	-179.5	169.6	0	0	0	0	110.4	F192 L193 T196 Q263 S267	F192-V265 PolarHBondContact O-N 3.42Å; F192-V265 VanDerWaalsContact O-N 3.15Å; L193-V265 HydrophobicContact CD2-CB 3.96Å; L193-V265 HydrophobicContact CD2-CG2 3.6Å; T196-V265 PolarHBondContact OG1-O 3.31Å; Q263-V265 PolarHBondContact O-N 3.34Å; V265-S267 PolarHBondContact O-N 2.9Å
266	W	82.1	Confident	88.8	Confident	152 Å²	152	59.4 Å²	59.4	58%	0.576	27%	0.266	S	S	*	.			trans	-87.2	93.5	179	-173.5	-92.5	0	0	0	110.5	T196 M198 N214 C264	T196-W266 HydrophobicContact CG2-CE3 3.45Å; T196-W266 VanDerWaalsContact CG2-CE3 3.45Å; T196-W266 HydrophobicContact CG2-CZ3 3.57Å; M198-W266 HydrophobicContact CE-CH2 3.48Å; M198-W266 VanDerWaalsContact CE-CH2 3.48Å; M198-W266 HydrophobicContact CE-CZ2 4.29Å; M198-W266 HydrophobicContact CE-CZ3 4.32Å; M198-W266 HydrophobicContact CG-CH2 3.71Å; M198-W266 HydrophobicContact CG-CZ3 3.54Å; M198-W266 HydrophobicContact SD-CH2 3.17Å; M198-W266 WeakPolarHBondContact SD-CH2 3.27Å; M198-W266 HydrophobicContact SD-CZ2 4.13Å; M198-W266 HydrophobicContact SD-CZ3 3.57Å; M198-W266 VanDerWaalsContact SD-CZ3 3.57Å; N214-W266 HydrophobicContact CB-CE3 4.28Å; N214-W266 HydrophobicContact CB-CZ3 4.41Å; C264-W266 PolarHBondContact O-N 2.66Å; C264-W266 VanDerWaalsContact O-N 3.15Å
267	S	79.9	Confident	88.2	Confident	41 Å²	41	60.7 Å²	60.7	29%	0.287	27%	0.273	S	S	.	.			trans	-144.1	133.4	173.2	170.6	0	0	0	0	111.6	V265 E269 M270	V265-S267 PolarHBondContact O-N 2.9Å; S267-E269 PolarHBondContact O-N 3.03Å; S267-E269 VanDerWaalsContact O-N 3.17Å; S267-E269 PolarHBondContact OG-N 3.46Å; S267-M270 WeakPolarHBondContact O-CB 3.41Å; S267-M270 PolarHBondContact O-N 2.84Å
268	Y	73.7	Confident	87.3	Confident	164 Å²	164	64 Å²	64	64%	0.643	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.5	174.3	-175.8	-102	0	0	0	112.3	M270 Q271	Y268-M270 VanDerWaalsContact C-N 3.31Å; Y268-Q271 PolarHBondContact O-N 3.12Å
269	E	78.4	Confident	86.2	Confident	116 Å²	116	65.4 Å²	65.4	54%	0.542	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-28	177.5	-60.3	-171.3	146	0	0	112.1	S267 Q271 Q272 L273	S267-E269 PolarHBondContact O-N 3.03Å; S267-E269 VanDerWaalsContact O-N 3.17Å; S267-E269 PolarHBondContact OG-N 3.46Å; E269-Q271 PolarHBondContact O-N 2.97Å; E269-Q272 WeakPolarHBondContact O-CA 3.33Å; E269-Q272 WeakPolarHBondContact O-CB 3.44Å; E269-Q272 PolarHBondContact O-N 2.88Å; E269-L273 WeakPolarHBondContact O-CG 3.33Å; E269-L273 PolarHBondContact O-N 2.97Å
270	M	85.2	Confident	84.1	Confident	8 Å²	8	69.2 Å²	69.2	4%	0.039	33%	0.326	C	S	.	.	H	α-helix	trans	-63.5	-30	177.9	-63.1	-61.9	-76.5	0	0	112.1	F181 L193 G194 S267 Y268 Q272 L273 F274	F181-M270 HydrophobicContact CZ-SD 4.38Å; L193-M270 HydrophobicContact CB-CE 3.88Å; L193-M270 HydrophobicContact CD2-CE 3.92Å; G194-M270 WeakPolarHBondContact O-CE 3.49Å; S267-M270 WeakPolarHBondContact O-CB 3.41Å; S267-M270 PolarHBondContact O-N 2.84Å; Y268-M270 VanDerWaalsContact C-N 3.31Å; M270-Q272 PolarHBondContact O-N 2.96Å; M270-L273 PolarHBondContact O-N 3.31Å; M270-L273 HydrophobicContact SD-CD1 4.37Å; M270-F274 HydrophobicContact CE-CD2 3.68Å; M270-F274 HydrophobicContact CE-CE2 3.4Å; M270-F274 VanDerWaalsContact CE-CE2 3.4Å; M270-F274 HydrophobicContact CE-CZ 4.38Å; M270-F274 WeakPolarHBondContact O-CB 3.44Å; M270-F274 PolarHBondContact O-N 3.24Å; M270-F274 HydrophobicContact SD-CD2 4.38Å; M270-F274 HydrophobicContact SD-CE2 4.25Å
271	Q	82.6	Confident	82.1	Confident	77 Å²	77	76.2 Å²	76.2	36%	0.36	36%	0.363	S	S	.	.	H	α-helix	trans	-67.3	-21.6	172.3	-62	-179.6	-10	0	0	113.8	Q195 Y268 E269	Q195-Q271 HydrophobicContact CG-CB 4.46Å; Q195-Q271 HydrophobicContact CG-CG 4.11Å; Y268-Q271 PolarHBondContact O-N 3.12Å; E269-Q271 PolarHBondContact O-N 2.97Å
272	Q	83.1	Confident	80.3	Confident	39 Å²	39	77.8 Å²	77.8	18%	0.182	37%	0.37	C	S	.	.	H	α-helix	trans	-93.5	-32.5	176.2	-61.4	-179.3	17.8	0	0	111.6	E269 M270 A297	E269-Q272 WeakPolarHBondContact O-CA 3.33Å; E269-Q272 WeakPolarHBondContact O-CB 3.44Å; E269-Q272 PolarHBondContact O-N 2.88Å; M270-Q272 PolarHBondContact O-N 2.96Å; Q272-A297 VanDerWaalsContact O-CA 3.26Å; Q272-A297 WeakPolarHBondContact O-CA 3.47Å; Q272-A297 WeakPolarHBondContact O-CB 3.33Å
273	L	89.3	Confident	78.8	Confident	40 Å²	40	82.8 Å²	82.8	21%	0.209	39%	0.388	C	S	.	.	H	α-helix	trans	-78.7	-42.2	179.6	-64.9	178.9	0	0	0	111.8	F181 E269 M270 A297 I298 T299	F181-L273 HydrophobicContact CE2-CD1 4.28Å; E269-L273 WeakPolarHBondContact O-CG 3.33Å; E269-L273 PolarHBondContact O-N 2.97Å; M270-L273 PolarHBondContact O-N 3.31Å; M270-L273 HydrophobicContact SD-CD1 4.37Å; L273-A297 CarbonylContact O-C 3.56Å; L273-I298 HydrophobicContact CB-CD1 4.2Å; L273-I298 HydrophobicContact CB-CG1 4.34Å; L273-I298 HydrophobicContact CD1-CD1 4.4Å; L273-I298 HydrophobicContact CD2-CD1 4.24Å; L273-I298 HydrophobicContact CD2-CG1 4.2Å; L273-I298 WeakPolarHBondContact O-CA 3.41Å; L273-I298 WeakPolarHBondContact O-CB 3.17Å; L273-I298 PolarHBondContact O-N 2.83Å; L273-T299 PolarHBondContact O-N 3.19Å; L273-T299 VanDerWaalsContact O-N 3.08Å
274	F	92.4	Very high	77.7	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	92.8	172.6	-65.9	-96.2	0	0	0	106.4	Q195 P220 I223 M270 T299	Q195-F274 HydrophobicContact CB-CB 3.86Å; Q195-F274 PolarHBondContact OE1-O 2.72Å; P220-F274 HydrophobicContact CB-CB 3.83Å; I223-F274 HydrophobicContact CD1-CE1 3.9Å; I223-F274 HydrophobicContact CD1-CZ 3.57Å; I223-F274 HydrophobicContact CG1-CE1 4.36Å; I223-F274 HydrophobicContact CG1-CZ 4.39Å; M270-F274 HydrophobicContact CE-CD2 3.68Å; M270-F274 HydrophobicContact CE-CE2 3.4Å; M270-F274 VanDerWaalsContact CE-CE2 3.4Å; M270-F274 HydrophobicContact CE-CZ 4.38Å; M270-F274 WeakPolarHBondContact O-CB 3.44Å; M270-F274 PolarHBondContact O-N 3.24Å; M270-F274 HydrophobicContact SD-CD2 4.38Å; M270-F274 HydrophobicContact SD-CE2 4.25Å; F274-T299 WeakPolarHBondContact CA-OG1 3.49Å; F274-T299 HydrophobicContact CD1-CG2 3.95Å; F274-T299 WeakPolarHBondContact CD1-OG1 3.18Å; F274-T299 HydrophobicContact CE1-CG2 4.02Å
275	Y	90	Very high	76.8	Confident	33 Å²	33	82.6 Å²	82.6	13%	0.129	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	117.8	-167	177.3	-102.1	0	0	0	111.5	N277 I286 T299 L300 H301	Y275-N277 HydrophobicContact CE1-CB 4.01Å; Y275-I286 HydrophobicContact CD1-CD1 4.03Å; Y275-I286 HydrophobicContact CE1-CD1 3.98Å; Y275-I286 HydrophobicContact CE1-CG1 4.39Å; Y275-T299 WeakPolarHBondContact CB-O 3.36Å; Y275-T299 PolarHBondContact N-O 3.19Å; Y275-L300 HydrophobicContact CD1-CD2 3.94Å; Y275-L300 HydrophobicContact CG-CD2 4.4Å; Y275-H301 PolarHBondContact O-N 3.42Å
276	E	86.9	Confident	76.2	Confident	34 Å²	34	80 Å²	80	16%	0.159	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.5	168.3	-174.9	64.7	-145.6	0	0	111.1	P220 Y278 H301	P220-E276 VanDerWaalsContact CD-OE2 3.28Å; P220-E276 WeakPolarHBondContact CD-OE2 3.43Å; P220-E276 HydrophobicContact CG-CB 4.02Å; P220-E276 WeakPolarHBondContact CG-OE2 3.5Å; E276-Y278 HydrophobicContact CB-CD2 4.36Å; E276-Y278 HydrophobicContact CB-CE1 4.41Å; E276-Y278 HydrophobicContact CB-CE2 3.77Å; E276-Y278 HydrophobicContact CG-CD1 4.03Å; E276-Y278 HydrophobicContact CG-CD2 4.22Å; E276-Y278 HydrophobicContact CG-CE1 3.59Å; E276-Y278 HydrophobicContact CG-CE2 3.82Å; E276-Y278 HydrophobicContact CG-CG 4.32Å; E276-Y278 VanDerWaalsContact CG-CZ 3.48Å; E276-Y278 PolarHBondContact O-N 2.91Å; E276-H301 IonicContact OE1-CE1 2.79Å; E276-H301 PolarHBondContact OE1-CE1 3.12Å; E276-H301 VanDerWaalsContact OE1-CE1 3.3Å; E276-H301 IonicContact OE1-ND1 2.71Å; E276-H301 PolarHBondContact OE1-ND1 2.97Å; E276-H301 IonicContact OE2-CE1 2.76Å; E276-H301 PolarHBondContact OE2-CE1 2.79Å; E276-H301 IonicContact OE2-CG 2.71Å; E276-H301 IonicContact OE2-ND1 2.98Å; E276-H301 PolarHBondContact OE2-ND1 2.99Å
277	N	83.9	Confident	75.8	Confident	27 Å²	27	82.3 Å²	82.3	14%	0.144	38%	0.381	C	S	.	.			trans	-87.9	101.1	171.4	-172.6	12.7	0	0	0	112.3	Y275 E279 I286 H301	Y275-N277 HydrophobicContact CE1-CB 4.01Å; N277-E279 VanDerWaalsContact C-N 3.29Å; N277-E279 PolarHBondContact O-N 3.42Å; N277-E279 WeakPolarHBondContact OD1-CB 3.02Å; N277-E279 VanDerWaalsContact OD1-CG 3.32Å; N277-E279 WeakPolarHBondContact OD1-CG 2.99Å; N277-E279 PolarHBondContact OD1-N 3.27Å; N277-E279 VanDerWaalsContact OD1-N 3.17Å; N277-I286 HydrophobicContact CB-CG1 4.46Å; N277-H301 PolarHBondContact N-O 3.32Å
278	Y	74.9	Confident	75.5	Confident	148 Å²	148	84.5 Å²	84.5	58%	0.58	39%	0.39	S	S	*	.			trans	-81.1	8.9	177.7	-62.7	-75.8	0	0	0	115.3	Q195 M217 E276	Q195-Y278 PolarHBondContact NE2-OH 2.85Å; M217-Y278 WeakPolarHBondContact CE-OH 3.43Å; M217-Y278 PolarHBondContact SD-OH 3.04Å; E276-Y278 HydrophobicContact CB-CD2 4.36Å; E276-Y278 HydrophobicContact CB-CE1 4.41Å; E276-Y278 HydrophobicContact CB-CE2 3.77Å; E276-Y278 HydrophobicContact CG-CD1 4.03Å; E276-Y278 HydrophobicContact CG-CD2 4.22Å; E276-Y278 HydrophobicContact CG-CE1 3.59Å; E276-Y278 HydrophobicContact CG-CE2 3.82Å; E276-Y278 HydrophobicContact CG-CG 4.32Å; E276-Y278 VanDerWaalsContact CG-CZ 3.48Å; E276-Y278 PolarHBondContact O-N 2.91Å
279	E	70.4	Confident	75.5	Confident	125 Å²	125	77.6 Å²	77.6	58%	0.584	36%	0.364	S	S	*	.			trans	-57.1	126.9	-177	-82.1	-178.5	178.4	0	0	112.2	N277 N281	N277-E279 VanDerWaalsContact C-N 3.29Å; N277-E279 PolarHBondContact O-N 3.42Å; N277-E279 WeakPolarHBondContact OD1-CB 3.02Å; N277-E279 VanDerWaalsContact OD1-CG 3.32Å; N277-E279 WeakPolarHBondContact OD1-CG 2.99Å; N277-E279 PolarHBondContact OD1-N 3.27Å; N277-E279 VanDerWaalsContact OD1-N 3.17Å; E279-N281 PolarHBondContact O-N 3.18Å; E279-N281 VanDerWaalsContact O-N 3.13Å
280	P	53.3	Low	75	Confident	117 Å²	117	74.8 Å²	74.8	76%	0.76	35%	0.351	S	S	*	.	S	Bend	trans	-66.9	-18.5	-168.2	21.6	-31.5	0	0	0	114.5	K282	P280-K282 PolarHBondContact O-N 3.44Å
281	N	53.4	Low	74.4	Confident	146 Å²	146	76.8 Å²	76.8	78%	0.781	36%	0.361	S	S	*	.	S	Bend	trans	-93.3	73.3	176.8	-71	-14.9	0	0	0	110.6	E279 K283	E279-N281 PolarHBondContact O-N 3.18Å; E279-N281 VanDerWaalsContact O-N 3.13Å; N281-K283 PolarHBondContact O-N 2.91Å
282	K	57.3	Low	73.6	Confident	194 Å²	194	75.1 Å²	75.1	84%	0.843	36%	0.358	S	S	*	.			trans	-58.3	89	-172.9	-65.4	179.3	-179.8	178.5	0	113.5	P280 G284	P280-K282 PolarHBondContact O-N 3.44Å; K282-G284 VanDerWaalsContact C-N 3.29Å
283	K	61.7	Low	73.2	Confident	139 Å²	139	78.6 Å²	78.6	60%	0.604	37%	0.373	S	S	*	.			trans	-82.6	-8	162.6	-63.7	-162.1	-179.6	-171	0	113.2	N281 Y285	N281-K283 PolarHBondContact O-N 2.91Å; K283-Y285 VanDerWaalsContact C-N 3.3Å; K283-Y285 HydrophobicContact CB-CD1 4Å; K283-Y285 HydrophobicContact CB-CE1 3.54Å; K283-Y285 HydrophobicContact CB-CE2 4.45Å; K283-Y285 HydrophobicContact CD-CE1 4.29Å; K283-Y285 VanDerWaalsContact CD-OH 3.27Å; K283-Y285 WeakPolarHBondContact CD-OH 3.47Å; K283-Y285 WeakPolarHBondContact O-CD1 3.33Å; K283-Y285 WeakPolarHBondContact O-CE1 3.43Å; K283-Y285 PolarHBondContact O-N 3.39Å
284	G	70	Confident	72.8	Confident	12 Å²	12	76.8 Å²	76.8	12%	0.124	36%	0.363	C	S	.	.	S	Bend	trans	72.3	19.2	178.4	0	0	0	0	0	114.3	K282 N303 K304	K282-G284 VanDerWaalsContact C-N 3.29Å; G284-N303 CarbonylContact O-C 3.55Å; G284-N303 WeakPolarHBondContact O-CA 3.27Å; G284-K304 PolarHBondContact O-N 2.55Å
285	Y	73.6	Confident	72	Confident	63 Å²	63	77.3 Å²	77.3	25%	0.247	37%	0.366	C	S	.	.	S	Bend	trans	-151.4	161.6	173.7	58.5	-95.3	0	0	0	110.4	K283 P302 N305 Y308	K283-Y285 VanDerWaalsContact C-N 3.3Å; K283-Y285 HydrophobicContact CB-CD1 4Å; K283-Y285 HydrophobicContact CB-CE1 3.54Å; K283-Y285 HydrophobicContact CB-CE2 4.45Å; K283-Y285 HydrophobicContact CD-CE1 4.29Å; K283-Y285 VanDerWaalsContact CD-OH 3.27Å; K283-Y285 WeakPolarHBondContact CD-OH 3.47Å; K283-Y285 WeakPolarHBondContact O-CD1 3.33Å; K283-Y285 WeakPolarHBondContact O-CE1 3.43Å; K283-Y285 PolarHBondContact O-N 3.39Å; Y285-P302 WeakPolarHBondContact CA-O 3.09Å; Y285-N305 HydrophobicContact CD1-CB 4.27Å; Y285-Y308 AromaticContact CD2-CD2 3.82Å; Y285-Y308 HydrophobicContact CD2-CD2 3.82Å; Y285-Y308 AromaticContact CD2-CE2 3.96Å; Y285-Y308 HydrophobicContact CD2-CE2 3.96Å; Y285-Y308 HydrophobicContact CD2-CG 4.24Å; Y285-Y308 HydrophobicContact CG-CD1 4.37Å; Y285-Y308 HydrophobicContact CG-CD2 4.18Å; Y285-Y308 HydrophobicContact CG-CG 4.12Å
286	I	78.9	Confident	71.6	Confident	6 Å²	6	78.4 Å²	78.4	3%	0.031	37%	0.37	C	S	.	.			trans	-86.6	121.6	-178.6	-56.1	167.6	0	0	0	109.2	Y275 N277 I294 L300 Y308	Y275-I286 HydrophobicContact CD1-CD1 4.03Å; Y275-I286 HydrophobicContact CE1-CD1 3.98Å; Y275-I286 HydrophobicContact CE1-CG1 4.39Å; N277-I286 HydrophobicContact CB-CG1 4.46Å; I286-I294 HydrophobicContact CG2-CD1 3.34Å; I286-I294 HydrophobicContact CG2-CG1 4.11Å; I286-L300 HydrophobicContact CD1-CB 3.77Å; I286-L300 HydrophobicContact CD1-CD2 4.06Å; I286-L300 HydrophobicContact CD1-CG 4.38Å; I286-Y308 WeakPolarHBondContact O-CE2 3.18Å; I286-Y308 PolarHBondContact O-OH 3.2Å
287	R	73.1	Confident	71.8	Confident	199 Å²	199	76.8 Å²	76.8	75%	0.751	36%	0.362	S	S	*	.			trans	-86.2	-44.6	-173.7	-163.7	-178.7	76.5	-172.5	3.2	113.3	L289	R287-L289 PolarHBondContact O-N 3.37Å
288	D	72.8	Confident	72.3	Confident	88 Å²	88	75.8 Å²	75.8	47%	0.471	36%	0.356	S	S	.	.			trans	-93.4	84.6	-171.7	178.5	21.6	0	0	0	110.7	H290 I294	D288-H290 PolarHBondContact O-N 2.75Å; D288-H290 PolarHBondContact OD1-N 3.41Å; D288-I294 WeakPolarHBondContact O-CD1 3.44Å
289	L	73.6	Confident	73.2	Confident	18 Å²	18	68.7 Å²	68.7	9%	0.094	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.9	-178.3	-67.7	179.4	0	0	0	114	R287 N291 H295 Y308 L312 Y315	R287-L289 PolarHBondContact O-N 3.37Å; L289-N291 PolarHBondContact O-N 2.69Å; L289-H295 PolarHBondContact O-NE2 2.89Å; L289-H295 VanDerWaalsContact O-NE2 3.16Å; L289-Y308 VanDerWaalsContact CD2-OH 3.29Å; L289-Y308 WeakPolarHBondContact CD2-OH 3.44Å; L289-L312 HydrophobicContact CD2-CD1 3.53Å; L289-Y315 HydrophobicContact CB-CD1 4.19Å; L289-Y315 HydrophobicContact CB-CE1 3.9Å; L289-Y315 HydrophobicContact CD1-CD1 4.02Å; L289-Y315 HydrophobicContact CD1-CD2 4.38Å; L289-Y315 HydrophobicContact CD1-CG 3.92Å; L289-Y315 HydrophobicContact CG-CD1 4.5Å; L289-Y315 PolarHBondContact O-OH 2.99Å
290	H	68.8	Low	74.4	Confident	58 Å²	58	62.8 Å²	62.8	27%	0.269	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	16.3	-176.1	-59.9	-83.4	0	0	0	112.8	D288 D404 M407	D288-H290 PolarHBondContact O-N 2.75Å; D288-H290 PolarHBondContact OD1-N 3.41Å; H290-D404 IonicContact CE1-OD1 3.41Å; H290-D404 PolarHBondContact CE1-OD1 2.87Å; H290-D404 IonicContact ND1-OD1 3.56Å; H290-D404 PolarHBondContact ND1-OD1 3.38Å; H290-M407 HydrophobicContact CB-SD 4.26Å
291	N	72.1	Confident	76.2	Confident	49 Å²	49	58 Å²	58	26%	0.262	27%	0.269	S	S	.	.			trans	-87.2	124.1	-179.9	-167.9	-40.6	0	0	0	111.6	L289 K293 I294 H295	L289-N291 PolarHBondContact O-N 2.69Å; N291-K293 PolarHBondContact O-N 3.01Å; N291-K293 WeakPolarHBondContact OD1-CB 3.42Å; N291-K293 WeakPolarHBondContact OD1-CG 3.37Å; N291-K293 PolarHBondContact OD1-N 2.99Å; N291-I294 HydrophobicContact CB-CD1 3.95Å; N291-I294 HydrophobicContact CB-CG1 4.24Å; N291-I294 WeakPolarHBondContact O-CB 3.3Å; N291-I294 PolarHBondContact O-N 2.98Å; N291-H295 PolarHBondContact O-CD2 2.93Å; N291-H295 PolarHBondContact O-N 3.27Å
292	S	67.4	Low	78	Confident	42 Å²	42	51.9 Å²	51.9	29%	0.294	24%	0.237	S	C	.	.	H	α-helix	trans	-52.4	-25.2	178.2	68.5	0	0	0	0	115.2	R296	S292-R296 WeakPolarHBondContact O-CG 3.36Å; S292-R296 PolarHBondContact O-N 3.35Å
293	K	74	Confident	79.6	Confident	112 Å²	112	43 Å²	43	49%	0.487	20%	0.198	S	C	.	.	H	α-helix	trans	-66.5	-42.4	174.6	-65.2	179.9	-177.9	179.4	0	111.8	N291 H295 R296 A297	N291-K293 PolarHBondContact O-N 3.01Å; N291-K293 WeakPolarHBondContact OD1-CB 3.42Å; N291-K293 WeakPolarHBondContact OD1-CG 3.37Å; N291-K293 PolarHBondContact OD1-N 2.99Å; K293-H295 VanDerWaalsContact C-N 3.34Å; K293-H295 PolarHBondContact O-N 2.03Å; K293-R296 PolarHBondContact O-N 3.44Å; K293-A297 PolarHBondContact O-N 2.89Å
294	I	80.1	Confident	81	Confident	2 Å²	2	41 Å²	41	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-63.9	-42.6	178.8	-65.1	169.2	0	0	0	109.9	K174 I286 D288 N291 R296 A297 L300	K174-I294 PolarHBondContact NZ-O 2.71Å; I286-I294 HydrophobicContact CG2-CD1 3.34Å; I286-I294 HydrophobicContact CG2-CG1 4.11Å; D288-I294 WeakPolarHBondContact O-CD1 3.44Å; N291-I294 HydrophobicContact CB-CD1 3.95Å; N291-I294 HydrophobicContact CB-CG1 4.24Å; N291-I294 WeakPolarHBondContact O-CB 3.3Å; N291-I294 PolarHBondContact O-N 2.98Å; I294-R296 VanDerWaalsContact C-N 3.31Å; I294-R296 PolarHBondContact O-N 3.42Å; I294-A297 PolarHBondContact O-N 2.93Å; I294-L300 HydrophobicContact CB-CD2 4.24Å; I294-L300 HydrophobicContact CG1-CD2 4.39Å; I294-L300 HydrophobicContact CG2-CD1 3.81Å; I294-L300 HydrophobicContact CG2-CD2 3.79Å; I294-L300 HydrophobicContact CG2-CG 4.48Å
295	H	77	Confident	81.9	Confident	12 Å²	12	43.3 Å²	43.3	6%	0.056	20%	0.199	C	C	.	.	H	α-helix	trans	-62.2	-39.8	178.5	-71	-77.7	0	0	0	112.5	K174 R177 L289 N291 K293 Y315 M407 E411	K174-H295 PolarHBondContact NZ-O 3.12Å; R177-H295 PolarHBondContact NH1-O 3.34Å; R177-H295 PolarHBondContact NH2-O 3.37Å; L289-H295 PolarHBondContact O-NE2 2.89Å; L289-H295 VanDerWaalsContact O-NE2 3.16Å; N291-H295 PolarHBondContact O-CD2 2.93Å; N291-H295 PolarHBondContact O-N 3.27Å; K293-H295 VanDerWaalsContact C-N 3.34Å; K293-H295 PolarHBondContact O-N 2.03Å; H295-Y315 AromaticContact CE1-CE1 3.77Å; H295-Y315 AromaticContact CE1-CZ 3.89Å; H295-Y315 PolarHBondContact CE1-OH 3.46Å; H295-Y315 PolarHBondContact NE2-OH 3.42Å; H295-M407 VanDerWaalsContact CD2-SD 3.53Å; H295-M407 PolarHBondContact NE2-SD 3.4Å; H295-E411 WeakPolarHBondContact CB-OE1 3.4Å; H295-E411 IonicContact CG-OE1 3.96Å
296	R	80.3	Confident	82.7	Confident	56 Å²	56	41.8 Å²	41.8	21%	0.211	20%	0.197	C	C	.	.	H	α-helix	trans	-70.7	-34.7	179	-73.8	175.5	176.4	162.9	1.9	113.6	R177 S292 K293 I294 K418	R177-R296 PolarHBondContact NH1-O 2.67Å; R177-R296 VanDerWaalsContact NH1-O 3.16Å; S292-R296 WeakPolarHBondContact O-CG 3.36Å; S292-R296 PolarHBondContact O-N 3.35Å; K293-R296 PolarHBondContact O-N 3.44Å; I294-R296 VanDerWaalsContact C-N 3.31Å; I294-R296 PolarHBondContact O-N 3.42Å; R296-K418 VanDerWaalsContact NH1-CE 3.29Å
297	A	90.4	Very high	83.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.224	C	C	.	.			trans	-57.8	142.7	-177.9	0	0	0	0	0	112.6	K174 Q272 L273 K293 I294 T299 L300	K174-A297 WeakPolarHBondContact CD-O 3.34Å; K174-A297 WeakPolarHBondContact CE-O 3.31Å; K174-A297 PolarHBondContact NZ-O 3.43Å; Q272-A297 VanDerWaalsContact O-CA 3.26Å; Q272-A297 WeakPolarHBondContact O-CA 3.47Å; Q272-A297 WeakPolarHBondContact O-CB 3.33Å; L273-A297 CarbonylContact O-C 3.56Å; K293-A297 PolarHBondContact O-N 2.89Å; I294-A297 PolarHBondContact O-N 2.93Å; A297-T299 WeakPolarHBondContact CB-O 3.45Å; A297-L300 HydrophobicContact CB-CD2 3.61Å; A297-L300 HydrophobicContact CB-CG 4.42Å
298	I	94.8	Very high	83.8	Confident	5 Å²	5	37.6 Å²	37.6	3%	0.026	19%	0.193	C	C	.	.	S	Bend	trans	-83.2	-45.9	169.1	-62.3	176.8	0	0	0	109.1	K174 R177 L178 F181 L273	K174-I298 WeakPolarHBondContact CB-O 3.44Å; K174-I298 PolarHBondContact N-O 3.37Å; R177-I298 HydrophobicContact CB-CG1 4.22Å; L178-I298 HydrophobicContact CB-CG2 3.59Å; L178-I298 HydrophobicContact CD1-CG2 3.9Å; L178-I298 HydrophobicContact CG-CG2 4.28Å; F181-I298 HydrophobicContact CB-CD1 3.81Å; F181-I298 HydrophobicContact CD1-CD1 3.91Å; F181-I298 HydrophobicContact CD2-CD1 4.45Å; F181-I298 HydrophobicContact CG-CD1 3.81Å; L273-I298 HydrophobicContact CB-CD1 4.2Å; L273-I298 HydrophobicContact CB-CG1 4.34Å; L273-I298 HydrophobicContact CD1-CD1 4.4Å; L273-I298 HydrophobicContact CD2-CD1 4.24Å; L273-I298 HydrophobicContact CD2-CG1 4.2Å; L273-I298 WeakPolarHBondContact O-CA 3.41Å; L273-I298 WeakPolarHBondContact O-CB 3.17Å; L273-I298 PolarHBondContact O-N 2.83Å
299	T	95.4	Very high	84.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	146.3	176.5	69.8	0	0	0	0	111	M165 Y172 I173 P220 L273 F274 Y275 A297	M165-T299 HydrophobicContact CE-CG2 3.9Å; Y172-T299 CarbonylContact O-C 3.58Å; Y172-T299 WeakPolarHBondContact O-CA 3.31Å; I173-T299 HydrophobicContact CG1-CG2 4.24Å; I173-T299 HydrophobicContact CG2-CG2 4.43Å; P220-T299 WeakPolarHBondContact O-CB 3.38Å; P220-T299 WeakPolarHBondContact O-CG2 3.42Å; P220-T299 PolarHBondContact O-OG1 3.42Å; L273-T299 PolarHBondContact O-N 3.19Å; L273-T299 VanDerWaalsContact O-N 3.08Å; F274-T299 WeakPolarHBondContact CA-OG1 3.49Å; F274-T299 HydrophobicContact CD1-CG2 3.95Å; F274-T299 WeakPolarHBondContact CD1-OG1 3.18Å; F274-T299 HydrophobicContact CE1-CG2 4.02Å; Y275-T299 WeakPolarHBondContact CB-O 3.36Å; Y275-T299 PolarHBondContact N-O 3.19Å; A297-T299 WeakPolarHBondContact CB-O 3.45Å
300	L	93.8	Very high	85.3	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	117.3	-178	-64.1	172.2	0	0	0	109	Y172 Y275 I286 I294 A297 L312	Y172-L300 PolarHBondContact N-O 3.15Å; Y172-L300 PolarHBondContact O-N 2.96Å; Y275-L300 HydrophobicContact CD1-CD2 3.94Å; Y275-L300 HydrophobicContact CG-CD2 4.4Å; I286-L300 HydrophobicContact CD1-CB 3.77Å; I286-L300 HydrophobicContact CD1-CD2 4.06Å; I286-L300 HydrophobicContact CD1-CG 4.38Å; I294-L300 HydrophobicContact CB-CD2 4.24Å; I294-L300 HydrophobicContact CG1-CD2 4.39Å; I294-L300 HydrophobicContact CG2-CD1 3.81Å; I294-L300 HydrophobicContact CG2-CD2 3.79Å; I294-L300 HydrophobicContact CG2-CG 4.48Å; A297-L300 HydrophobicContact CB-CD2 3.61Å; A297-L300 HydrophobicContact CB-CG 4.42Å; L300-L312 HydrophobicContact CD1-CD1 4.21Å; L300-L312 HydrophobicContact CD1-CD2 4.19Å
301	H	92.4	Very high	86.1	Confident	17 Å²	17	42.8 Å²	42.8	8%	0.079	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	148.3	178.8	173.8	-83.7	0	0	0	110.7	D170 V171 G219 P220 Y275 E276 N277	D170-H301 IonicContact OD1-CD2 3.85Å; D170-H301 PolarHBondContact OD1-CD2 2.71Å; D170-H301 IonicContact OD1-NE2 2.6Å; D170-H301 PolarHBondContact OD1-NE2 3.04Å; D170-H301 IonicContact OD2-NE2 3.57Å; V171-H301 HydrophobicContact CG2-CB 4.26Å; G219-H301 PolarHBondContact O-CD2 3.39Å; P220-H301 HydrophobicContact CG-CB 4.4Å; Y275-H301 PolarHBondContact O-N 3.42Å; E276-H301 IonicContact OE1-CE1 2.79Å; E276-H301 PolarHBondContact OE1-CE1 3.12Å; E276-H301 VanDerWaalsContact OE1-CE1 3.3Å; E276-H301 IonicContact OE1-ND1 2.71Å; E276-H301 PolarHBondContact OE1-ND1 2.97Å; E276-H301 IonicContact OE2-CE1 2.76Å; E276-H301 PolarHBondContact OE2-CE1 2.79Å; E276-H301 IonicContact OE2-CG 2.71Å; E276-H301 IonicContact OE2-ND1 2.98Å; E276-H301 PolarHBondContact OE2-ND1 2.99Å; N277-H301 PolarHBondContact N-O 3.32Å
302	P	91.3	Very high	86.9	Confident	16 Å²	16	40.5 Å²	40.5	10%	0.104	19%	0.191	C	C	.	.			cis	-89.6	156	-4.5	32.8	-32.9	0	0	0	113.6	D170 Y285 K304	D170-P302 CarbonylContact O-C 3.56Å; Y285-P302 WeakPolarHBondContact CA-O 3.09Å; P302-K304 HydrophobicContact CB-CG 4.4Å
303	N	90.3	Very high	88	Confident	7 Å²	7	40 Å²	40	4%	0.037	18%	0.184	C	C	.	.			trans	-136.7	76.6	171.3	-169.6	-3.8	0	0	0	112.9	D170 G284 N305 Y308 Q309	D170-N303 WeakPolarHBondContact CA-O 3.44Å; D170-N303 VanDerWaalsContact CB-C 3.48Å; D170-N303 VanDerWaalsContact CB-O 3.3Å; D170-N303 WeakPolarHBondContact CB-O 3.34Å; D170-N303 WeakPolarHBondContact O-CA 3.33Å; D170-N303 WeakPolarHBondContact O-CB 3.44Å; D170-N303 PolarHBondContact O-N 3.3Å; G284-N303 CarbonylContact O-C 3.55Å; G284-N303 WeakPolarHBondContact O-CA 3.27Å; N303-N305 VanDerWaalsContact C-N 3.32Å; N303-N305 PolarHBondContact O-N 3.28Å; N303-N305 PolarHBondContact OD1-O 3.38Å; N303-Y308 WeakPolarHBondContact ND2-CD1 3.33Å; N303-Y308 WeakPolarHBondContact ND2-CE1 3.41Å; N303-Y308 WeakPolarHBondContact OD1-CD1 3.24Å; N303-Q309 WeakPolarHBondContact ND2-CA 3.07Å; N303-Q309 WeakPolarHBondContact ND2-CB 3.29Å; N303-Q309 PolarHBondContact ND2-OE1 3.02Å
304	K	90.5	Very high	88.7	Confident	99 Å²	99	38.4 Å²	38.4	43%	0.43	19%	0.187	S	C	.	.			trans	-81.5	-8.4	-174.1	-65.3	179.9	179.4	-176.6	0	114.1	R98 D170 G284 P302	R98-K304 PolarHBondContact NE-O 2.9Å; R98-K304 VanDerWaalsContact NE-O 3.16Å; D170-K304 HydrophobicContact CB-CG 3.95Å; D170-K304 WeakPolarHBondContact OD2-CE 3.33Å; D170-K304 WeakPolarHBondContact OD2-CG 3.21Å; G284-K304 PolarHBondContact O-N 2.55Å; P302-K304 HydrophobicContact CB-CG 4.4Å
305	N	90.2	Very high	89	Confident	60 Å²	60	39.2 Å²	39.2	32%	0.321	19%	0.19	S	C	.	.			trans	-110.3	108.5	-172.1	-179.9	-23.9	0	0	0	110.7	Y285 N303 P307 Y308 Q309	Y285-N305 HydrophobicContact CD1-CB 4.27Å; N303-N305 VanDerWaalsContact C-N 3.32Å; N303-N305 PolarHBondContact O-N 3.28Å; N303-N305 PolarHBondContact OD1-O 3.38Å; N305-P307 WeakPolarHBondContact OD1-CD 3.11Å; N305-P307 WeakPolarHBondContact OD1-CG 3.43Å; N305-Y308 WeakPolarHBondContact O-CA 3.42Å; N305-Y308 WeakPolarHBondContact O-CB 3.4Å; N305-Y308 PolarHBondContact O-N 2.87Å; N305-Y308 PolarHBondContact OD1-N 2.92Å; N305-Q309 PolarHBondContact O-N 3.15Å
306	P	89.9	Confident	89.5	Confident	30 Å²	30	39.7 Å²	39.7	20%	0.195	19%	0.193	C	C	.	.	H	α-helix	trans	-58.4	-47.8	-176.3	-21.8	30.6	0	0	0	114.9	R98 A101 Y308 Q309 Y310	R98-P306 HydrophobicContact CG-CG 4.29Å; A101-P306 HydrophobicContact CB-CB 3.88Å; P306-Y308 PolarHBondContact O-N 2.95Å; P306-Q309 WeakPolarHBondContact O-CB 3.38Å; P306-Q309 PolarHBondContact O-N 3.1Å; P306-Y310 WeakPolarHBondContact O-CD2 3.31Å; P306-Y310 PolarHBondContact O-N 2.96Å
307	P	86.3	Confident	89.9	Confident	93 Å²	93	40.7 Å²	40.7	60%	0.604	20%	0.202	S	C	*	.	H	α-helix	trans	-49.7	-40.9	169.8	-30.3	29.8	0	0	0	114.6	N305 Y310 R311	N305-P307 WeakPolarHBondContact OD1-CD 3.11Å; N305-P307 WeakPolarHBondContact OD1-CG 3.43Å; P307-Y310 PolarHBondContact O-N 3.34Å; P307-R311 PolarHBondContact O-N 3.44Å
308	Y	87.5	Confident	89.6	Confident	24 Å²	24	43.6 Å²	43.6	9%	0.094	22%	0.222	C	C	.	.	H	α-helix	trans	-70.7	-35.8	177.7	171	-81.2	0	0	0	112	Y285 I286 L289 N303 N305 P306 Y310 R311 L312	Y285-Y308 AromaticContact CD2-CD2 3.82Å; Y285-Y308 HydrophobicContact CD2-CD2 3.82Å; Y285-Y308 AromaticContact CD2-CE2 3.96Å; Y285-Y308 HydrophobicContact CD2-CE2 3.96Å; Y285-Y308 HydrophobicContact CD2-CG 4.24Å; Y285-Y308 HydrophobicContact CG-CD1 4.37Å; Y285-Y308 HydrophobicContact CG-CD2 4.18Å; Y285-Y308 HydrophobicContact CG-CG 4.12Å; I286-Y308 WeakPolarHBondContact O-CE2 3.18Å; I286-Y308 PolarHBondContact O-OH 3.2Å; L289-Y308 VanDerWaalsContact CD2-OH 3.29Å; L289-Y308 WeakPolarHBondContact CD2-OH 3.44Å; N303-Y308 WeakPolarHBondContact ND2-CD1 3.33Å; N303-Y308 WeakPolarHBondContact ND2-CE1 3.41Å; N303-Y308 WeakPolarHBondContact OD1-CD1 3.24Å; N305-Y308 WeakPolarHBondContact O-CA 3.42Å; N305-Y308 WeakPolarHBondContact O-CB 3.4Å; N305-Y308 PolarHBondContact O-N 2.87Å; N305-Y308 PolarHBondContact OD1-N 2.92Å; P306-Y308 PolarHBondContact O-N 2.95Å; Y308-Y310 VanDerWaalsContact C-N 3.33Å; Y308-Y310 PolarHBondContact O-N 2.95Å; Y308-R311 PolarHBondContact O-N 3.23Å; Y308-R311 VanDerWaalsContact O-N 3.14Å; Y308-L312 HydrophobicContact CE1-CB 4.07Å; Y308-L312 HydrophobicContact CE1-CD2 4.13Å; Y308-L312 WeakPolarHBondContact O-CB 3.38Å; Y308-L312 PolarHBondContact O-N 2.95Å
309	Q	89.5	Confident	89.1	Confident	7 Å²	7	44.4 Å²	44.4	3%	0.033	23%	0.225	C	C	.	.	H	α-helix	trans	-54.5	-45.5	171.8	177.7	80.7	-7.2	0	0	112.3	A101 T105 N303 N305 P306 L312 H313	A101-Q309 HydrophobicContact CB-CB 4.25Å; A101-Q309 HydrophobicContact CB-CG 4.03Å; T105-Q309 HydrophobicContact CG2-CG 4.23Å; T105-Q309 PolarHBondContact OG1-NE2 3.47Å; N303-Q309 WeakPolarHBondContact ND2-CA 3.07Å; N303-Q309 WeakPolarHBondContact ND2-CB 3.29Å; N303-Q309 PolarHBondContact ND2-OE1 3.02Å; N305-Q309 PolarHBondContact O-N 3.15Å; P306-Q309 WeakPolarHBondContact O-CB 3.38Å; P306-Q309 PolarHBondContact O-N 3.1Å; Q309-L312 PolarHBondContact O-N 3.4Å; Q309-H313 WeakPolarHBondContact O-CB 3.39Å; Q309-H313 PolarHBondContact O-N 3.21Å
310	Y	89.4	Confident	88.6	Confident	83 Å²	83	48.1 Å²	48.1	33%	0.325	24%	0.241	S	C	.	.	H	α-helix	trans	-65.5	-39.8	176	-65	-70.5	0	0	0	112.3	A101 R104 T105 P306 P307 Y308 H313 S314	A101-Y310 WeakPolarHBondContact CA-OH 3.36Å; A101-Y310 HydrophobicContact CB-CE2 3.9Å; R104-Y310 HydrophobicContact CB-CE1 3.99Å; T105-Y310 HydrophobicContact CG2-CD1 3.68Å; T105-Y310 HydrophobicContact CG2-CE1 3.95Å; P306-Y310 WeakPolarHBondContact O-CD2 3.31Å; P306-Y310 PolarHBondContact O-N 2.96Å; P307-Y310 PolarHBondContact O-N 3.34Å; Y308-Y310 VanDerWaalsContact C-N 3.33Å; Y308-Y310 PolarHBondContact O-N 2.95Å; Y310-H313 PolarHBondContact O-N 3.41Å; Y310-S314 WeakPolarHBondContact O-CB 3.21Å; Y310-S314 PolarHBondContact O-N 3.22Å
311	R	86.3	Confident	88.3	Confident	184 Å²	184	52 Å²	52	69%	0.694	26%	0.26	S	S	*	.	H	α-helix	trans	-63.7	-43.4	176	-173	176.8	179	171	1	112	P307 Y308 S314 Y315	P307-R311 PolarHBondContact O-N 3.44Å; Y308-R311 PolarHBondContact O-N 3.23Å; Y308-R311 VanDerWaalsContact O-N 3.14Å; R311-S314 PolarHBondContact O-N 3.37Å; R311-Y315 WeakPolarHBondContact O-CB 3.43Å; R311-Y315 PolarHBondContact O-N 3.48Å
312	L	87.6	Confident	87.9	Confident	1 Å²	1	53 Å²	53	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-44.7	174.5	172.9	62.4	0	0	0	110.8	Y172 L289 L300 Y308 Q309 Y315 L316	Y172-L312 HydrophobicContact CD2-CD2 3.82Å; Y172-L312 HydrophobicContact CD2-CG 4.12Å; Y172-L312 HydrophobicContact CE2-CG 4.45Å; Y172-L312 HydrophobicContact CG-CD2 3.77Å; Y172-L312 HydrophobicContact CG-CG 4.35Å; L289-L312 HydrophobicContact CD2-CD1 3.53Å; L300-L312 HydrophobicContact CD1-CD1 4.21Å; L300-L312 HydrophobicContact CD1-CD2 4.19Å; Y308-L312 HydrophobicContact CE1-CB 4.07Å; Y308-L312 HydrophobicContact CE1-CD2 4.13Å; Y308-L312 WeakPolarHBondContact O-CB 3.38Å; Y308-L312 PolarHBondContact O-N 2.95Å; Q309-L312 PolarHBondContact O-N 3.4Å; L312-Y315 PolarHBondContact O-N 3.23Å; L312-L316 HydrophobicContact CD1-CD1 3.98Å; L312-L316 HydrophobicContact CD1-CG 4.17Å; L312-L316 HydrophobicContact CG-CD1 4.12Å; L312-L316 WeakPolarHBondContact O-CG 3.47Å; L312-L316 PolarHBondContact O-N 3.23Å
313	H	91.4	Very high	87.6	Confident	32 Å²	32	56.4 Å²	56.4	15%	0.148	29%	0.289	C	S	.	.	H	α-helix	trans	-59.7	-48.8	176.6	-171.2	61.7	0	0	0	111.6	T105 Y172 Q309 Y310 Y315 L316 L317	T105-H313 HydrophobicContact CG2-CB 3.63Å; Y172-H313 HydrophobicContact CE2-CB 3.85Å; Y172-H313 AromaticContact CE2-ND1 3.72Å; Y172-H313 AromaticContact CZ-ND1 3.66Å; Y172-H313 PolarHBondContact OH-ND1 2.95Å; Q309-H313 WeakPolarHBondContact O-CB 3.39Å; Q309-H313 PolarHBondContact O-N 3.21Å; Y310-H313 PolarHBondContact O-N 3.41Å; H313-Y315 VanDerWaalsContact C-N 3.32Å; H313-Y315 PolarHBondContact O-N 3.37Å; H313-L316 PolarHBondContact O-N 2.91Å; H313-L316 VanDerWaalsContact O-N 3.15Å; H313-L317 WeakPolarHBondContact NE2-CD1 3.16Å; H313-L317 WeakPolarHBondContact O-CG 3.42Å; H313-L317 PolarHBondContact O-N 2.99Å
314	S	88.4	Confident	87.5	Confident	77 Å²	77	61 Å²	61	54%	0.538	31%	0.313	S	S	.	.	H	α-helix	trans	-59.5	-41.8	177.3	-177.7	0	0	0	0	112.1	Y310 R311 L317 S318	Y310-S314 WeakPolarHBondContact O-CB 3.21Å; Y310-S314 PolarHBondContact O-N 3.22Å; R311-S314 PolarHBondContact O-N 3.37Å; S314-L317 PolarHBondContact O-N 3.44Å; S314-S318 PolarHBondContact O-N 3.42Å
315	Y	85.8	Confident	87.4	Confident	19 Å²	19	61.8 Å²	61.8	8%	0.075	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-42.9	173.8	174.3	-100.5	0	0	0	112.9	L289 H295 R311 L312 H313 S318 R319	L289-Y315 HydrophobicContact CB-CD1 4.19Å; L289-Y315 HydrophobicContact CB-CE1 3.9Å; L289-Y315 HydrophobicContact CD1-CD1 4.02Å; L289-Y315 HydrophobicContact CD1-CD2 4.38Å; L289-Y315 HydrophobicContact CD1-CG 3.92Å; L289-Y315 HydrophobicContact CG-CD1 4.5Å; L289-Y315 PolarHBondContact O-OH 2.99Å; H295-Y315 AromaticContact CE1-CE1 3.77Å; H295-Y315 AromaticContact CE1-CZ 3.89Å; H295-Y315 PolarHBondContact CE1-OH 3.46Å; H295-Y315 PolarHBondContact NE2-OH 3.42Å; R311-Y315 WeakPolarHBondContact O-CB 3.43Å; R311-Y315 PolarHBondContact O-N 3.48Å; L312-Y315 PolarHBondContact O-N 3.23Å; H313-Y315 VanDerWaalsContact C-N 3.32Å; H313-Y315 PolarHBondContact O-N 3.37Å; Y315-S318 PolarHBondContact O-N 3.12Å; Y315-S318 PolarHBondContact O-OG 3.31Å; Y315-R319 HydrophobicContact CE1-CG 4.43Å; Y315-R319 PolarHBondContact O-N 2.73Å; Y315-R319 VanDerWaalsContact O-N 3.13Å
316	L	87.6	Confident	87.2	Confident	23 Å²	23	63.4 Å²	63.4	12%	0.12	32%	0.319	C	S	.	.	H	α-helix	trans	-70	-35	178.1	-69.1	172.4	0	0	0	112.1	Y172 K174 L312 H313 R319 K320	Y172-L316 HydrophobicContact CD1-CD1 3.74Å; Y172-L316 HydrophobicContact CE1-CD1 3.15Å; Y172-L316 HydrophobicContact CE2-CD1 4.22Å; Y172-L316 VanDerWaalsContact CZ-CD1 3.43Å; K174-L316 HydrophobicContact CG-CD1 4.47Å; L312-L316 HydrophobicContact CD1-CD1 3.98Å; L312-L316 HydrophobicContact CD1-CG 4.17Å; L312-L316 HydrophobicContact CG-CD1 4.12Å; L312-L316 WeakPolarHBondContact O-CG 3.47Å; L312-L316 PolarHBondContact O-N 3.23Å; H313-L316 PolarHBondContact O-N 2.91Å; H313-L316 VanDerWaalsContact O-N 3.15Å; L316-R319 WeakPolarHBondContact O-CB 3.42Å; L316-R319 PolarHBondContact O-N 2.74Å; L316-K320 PolarHBondContact O-N 3.12Å
317	L	89.4	Confident	87.3	Confident	76 Å²	76	67.7 Å²	67.7	40%	0.398	33%	0.331	S	S	.	.	H	α-helix	trans	-66.3	-43	172.5	-72.8	178.5	0	0	0	111.9	H313 S314 R319 K320 I321	H313-L317 WeakPolarHBondContact NE2-CD1 3.16Å; H313-L317 WeakPolarHBondContact O-CG 3.42Å; H313-L317 PolarHBondContact O-N 2.99Å; S314-L317 PolarHBondContact O-N 3.44Å; L317-R319 PolarHBondContact O-N 3.43Å; L317-K320 WeakPolarHBondContact O-CB 3.13Å; L317-K320 PolarHBondContact O-N 2.85Å; L317-K320 VanDerWaalsContact O-N 3.11Å; L317-I321 VanDerWaalsContact O-CG1 3.31Å; L317-I321 WeakPolarHBondContact O-CG1 3.39Å; L317-I321 PolarHBondContact O-N 3.35Å
318	S	84.7	Confident	87.5	Confident	61 Å²	61	66.6 Å²	66.6	43%	0.427	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-36.4	177.5	73.7	0	0	0	0	111.6	S314 Y315 I321 A322	S314-S318 PolarHBondContact O-N 3.42Å; Y315-S318 PolarHBondContact O-N 3.12Å; Y315-S318 PolarHBondContact O-OG 3.31Å; S318-I321 PolarHBondContact O-N 3.38Å; S318-A322 PolarHBondContact O-N 2.85Å
319	R	82.8	Confident	87.6	Confident	22 Å²	22	65.8 Å²	65.8	8%	0.083	32%	0.32	C	S	.	.	H	α-helix	trans	-62.2	-47.6	170.4	-82.8	-55.8	-32.1	-160.6	5.5	112.9	Y315 L316 L317 I321 A322 D323 Q408	Y315-R319 HydrophobicContact CE1-CG 4.43Å; Y315-R319 PolarHBondContact O-N 2.73Å; Y315-R319 VanDerWaalsContact O-N 3.13Å; L316-R319 WeakPolarHBondContact O-CB 3.42Å; L316-R319 PolarHBondContact O-N 2.74Å; L317-R319 PolarHBondContact O-N 3.43Å; R319-I321 VanDerWaalsContact C-N 3.29Å; R319-I321 PolarHBondContact O-N 3.02Å; R319-A322 WeakPolarHBondContact O-CB 3.46Å; R319-A322 PolarHBondContact O-N 2.88Å; R319-A322 VanDerWaalsContact O-N 3.12Å; R319-D323 IonicContact CZ-OD1 2.97Å; R319-D323 IonicContact NH2-OD1 2.62Å; R319-D323 PolarHBondContact NH2-OD1 3.05Å; R319-D323 PolarHBondContact O-N 3.26Å; R319-Q408 VanDerWaalsContact NH1-CG 3.26Å
320	K	86.4	Confident	87.7	Confident	79 Å²	79	68.4 Å²	68.4	34%	0.343	33%	0.332	S	S	.	.	H	α-helix	trans	-60.5	-40.5	177.1	-172.2	178.4	-175.5	-178.1	0	111.6	E176 L316 L317 A322 D323 L324	E176-K320 VanDerWaalsContact OE1-CE 3.23Å; E176-K320 WeakPolarHBondContact OE1-CE 3.48Å; E176-K320 IonicContact OE1-NZ 3.08Å; E176-K320 PolarHBondContact OE1-NZ 3.17Å; E176-K320 VanDerWaalsContact OE2-CE 3.29Å; E176-K320 WeakPolarHBondContact OE2-CE 3.23Å; E176-K320 IonicContact OE2-NZ 3.34Å; E176-K320 PolarHBondContact OE2-NZ 2.87Å; L316-K320 PolarHBondContact O-N 3.12Å; L317-K320 WeakPolarHBondContact O-CB 3.13Å; L317-K320 PolarHBondContact O-N 2.85Å; L317-K320 VanDerWaalsContact O-N 3.11Å; K320-A322 VanDerWaalsContact C-N 3.33Å; K320-A322 PolarHBondContact O-N 3.28Å; K320-D323 PolarHBondContact O-N 3.28Å; K320-L324 HydrophobicContact CG-CD1 4.22Å; K320-L324 WeakPolarHBondContact O-CB 3.48Å; K320-L324 WeakPolarHBondContact O-CG 3.48Å; K320-L324 PolarHBondContact O-N 2.9Å
321	I	87.1	Confident	87.9	Confident	81 Å²	81	68 Å²	68	42%	0.415	34%	0.336	S	S	.	.	H	α-helix	trans	-60.6	-43.9	174.1	-69	164.6	0	0	0	110.5	L317 S318 R319 L324 R325	L317-I321 VanDerWaalsContact O-CG1 3.31Å; L317-I321 WeakPolarHBondContact O-CG1 3.39Å; L317-I321 PolarHBondContact O-N 3.35Å; S318-I321 PolarHBondContact O-N 3.38Å; R319-I321 VanDerWaalsContact C-N 3.29Å; R319-I321 PolarHBondContact O-N 3.02Å; I321-L324 PolarHBondContact O-N 3.35Å; I321-R325 HydrophobicContact CG2-CG 4.39Å; I321-R325 WeakPolarHBondContact O-CB 3.46Å; I321-R325 VanDerWaalsContact O-CG 3.27Å; I321-R325 WeakPolarHBondContact O-CG 3.43Å; I321-R325 PolarHBondContact O-N 2.92Å
322	A	83.5	Confident	88.2	Confident	38 Å²	38	60.5 Å²	60.5	31%	0.314	31%	0.308	S	S	.	.	H	α-helix	trans	-62	-42.6	176.7	0	0	0	0	0	112.3	S318 R319 K320 R325 H326	S318-A322 PolarHBondContact O-N 2.85Å; R319-A322 WeakPolarHBondContact O-CB 3.46Å; R319-A322 PolarHBondContact O-N 2.88Å; R319-A322 VanDerWaalsContact O-N 3.12Å; K320-A322 VanDerWaalsContact C-N 3.33Å; K320-A322 PolarHBondContact O-N 3.28Å; A322-R325 PolarHBondContact O-N 2.93Å; A322-H326 WeakPolarHBondContact O-CB 3.46Å; A322-H326 PolarHBondContact O-N 2.86Å
323	D	84.8	Confident	88.3	Confident	88 Å²	88	62.7 Å²	62.7	47%	0.471	32%	0.316	S	S	.	.	H	α-helix	trans	-64.9	-43.7	177.9	-65.4	-14.9	0	0	0	111.5	R319 K320 H326 R327	R319-D323 IonicContact CZ-OD1 2.97Å; R319-D323 IonicContact NH2-OD1 2.62Å; R319-D323 PolarHBondContact NH2-OD1 3.05Å; R319-D323 PolarHBondContact O-N 3.26Å; K320-D323 PolarHBondContact O-N 3.28Å; D323-H326 WeakPolarHBondContact O-CB 3.18Å; D323-H326 PolarHBondContact O-N 3.15Å; D323-R327 PolarHBondContact O-N 2.95Å
324	L	89.3	Confident	88.3	Confident	103 Å²	103	65.4 Å²	65.4	54%	0.539	33%	0.329	S	S	.	.	H	α-helix	trans	-63.9	-43.7	175.9	-71.9	171.8	0	0	0	111.7	K320 I321 H326 R327 T328	K320-L324 HydrophobicContact CG-CD1 4.22Å; K320-L324 WeakPolarHBondContact O-CB 3.48Å; K320-L324 WeakPolarHBondContact O-CG 3.48Å; K320-L324 PolarHBondContact O-N 2.9Å; I321-L324 PolarHBondContact O-N 3.35Å; L324-H326 VanDerWaalsContact C-N 3.31Å; L324-H326 PolarHBondContact O-N 2.88Å; L324-R327 WeakPolarHBondContact O-CA 3.46Å; L324-R327 WeakPolarHBondContact O-CB 3.45Å; L324-R327 PolarHBondContact O-N 3.38Å; L324-R327 VanDerWaalsContact O-N 3.09Å; L324-T328 PolarHBondContact O-N 3.45Å; L324-T328 PolarHBondContact O-OG1 3.27Å; L324-T328 VanDerWaalsContact O-OG1 3.14Å
325	R	87.6	Confident	88.5	Confident	116 Å²	116	65.4 Å²	65.4	44%	0.438	32%	0.322	S	S	.	.	H	α-helix	trans	-59.9	-42.2	174.3	-77	175	174.8	174.5	-3	111.7	I321 A322 R327 T328 I329	I321-R325 HydrophobicContact CG2-CG 4.39Å; I321-R325 WeakPolarHBondContact O-CB 3.46Å; I321-R325 VanDerWaalsContact O-CG 3.27Å; I321-R325 WeakPolarHBondContact O-CG 3.43Å; I321-R325 PolarHBondContact O-N 2.92Å; A322-R325 PolarHBondContact O-N 2.93Å; R325-R327 VanDerWaalsContact C-N 3.3Å; R325-R327 PolarHBondContact O-N 3.47Å; R325-T328 WeakPolarHBondContact O-CB 3.47Å; R325-T328 PolarHBondContact O-N 3.44Å; R325-I329 WeakPolarHBondContact O-CG1 3.34Å; R325-I329 PolarHBondContact O-N 3.31Å; R325-I329 VanDerWaalsContact O-N 3.08Å
326	H	86.8	Confident	88.7	Confident	95 Å²	95	65.6 Å²	65.6	44%	0.44	33%	0.326	S	S	.	.	H	α-helix	trans	-60.7	-42.5	174.4	-177.3	66.7	0	0	0	111.3	A322 D323 L324 I329 Q330	A322-H326 WeakPolarHBondContact O-CB 3.46Å; A322-H326 PolarHBondContact O-N 2.86Å; D323-H326 WeakPolarHBondContact O-CB 3.18Å; D323-H326 PolarHBondContact O-N 3.15Å; L324-H326 VanDerWaalsContact C-N 3.31Å; L324-H326 PolarHBondContact O-N 2.88Å; H326-I329 PolarHBondContact O-N 3.38Å; H326-Q330 PolarHBondContact CD2-NE2 3.37Å; H326-Q330 PolarHBondContact NE2-NE2 3.47Å; H326-Q330 WeakPolarHBondContact O-CG 3.47Å; H326-Q330 PolarHBondContact O-N 3.26Å
327	R	90.6	Very high	88.7	Confident	119 Å²	119	70.2 Å²	70.2	45%	0.449	35%	0.347	S	S	.	.	H	α-helix	trans	-62.3	-42.2	176.4	-172.2	61.3	178.4	162.2	7	112.1	D323 L324 R325 I329 Q330 L331	D323-R327 PolarHBondContact O-N 2.95Å; L324-R327 WeakPolarHBondContact O-CA 3.46Å; L324-R327 WeakPolarHBondContact O-CB 3.45Å; L324-R327 PolarHBondContact O-N 3.38Å; L324-R327 VanDerWaalsContact O-N 3.09Å; R325-R327 VanDerWaalsContact C-N 3.3Å; R325-R327 PolarHBondContact O-N 3.47Å; R327-I329 VanDerWaalsContact C-N 3.31Å; R327-I329 PolarHBondContact O-N 2.8Å; R327-Q330 WeakPolarHBondContact O-CB 3.4Å; R327-Q330 PolarHBondContact O-N 2.87Å; R327-Q330 VanDerWaalsContact O-N 3.17Å; R327-L331 HydrophobicContact CG-CD1 4.45Å; R327-L331 WeakPolarHBondContact O-CG 3.3Å; R327-L331 PolarHBondContact O-N 3.39Å
328	T	91.4	Very high	88.7	Confident	70 Å²	70	72.5 Å²	72.5	43%	0.429	36%	0.357	S	S	.	.	H	α-helix	trans	-56.6	-45.8	173.6	-56.9	0	0	0	0	111.4	L324 R325 Q330 L331 H332	L324-T328 PolarHBondContact O-N 3.45Å; L324-T328 PolarHBondContact O-OG1 3.27Å; L324-T328 VanDerWaalsContact O-OG1 3.14Å; R325-T328 WeakPolarHBondContact O-CB 3.47Å; R325-T328 PolarHBondContact O-N 3.44Å; T328-Q330 VanDerWaalsContact C-N 3.34Å; T328-Q330 PolarHBondContact O-N 3Å; T328-L331 PolarHBondContact O-N 2.87Å; T328-H332 PolarHBondContact O-CD2 2.76Å; T328-H332 PolarHBondContact O-N 2.74Å
329	I	89.9	Confident	88.7	Confident	8 Å²	8	70.6 Å²	70.6	4%	0.041	35%	0.347	C	S	.	.	H	α-helix	trans	-64.8	-38.1	177.9	-65.3	174.4	0	0	0	111.5	R325 H326 R327 L331 H332 R333 T473	R325-I329 WeakPolarHBondContact O-CG1 3.34Å; R325-I329 PolarHBondContact O-N 3.31Å; R325-I329 VanDerWaalsContact O-N 3.08Å; H326-I329 PolarHBondContact O-N 3.38Å; R327-I329 VanDerWaalsContact C-N 3.31Å; R327-I329 PolarHBondContact O-N 2.8Å; I329-L331 VanDerWaalsContact C-N 3.34Å; I329-H332 PolarHBondContact O-N 2.89Å; I329-R333 WeakPolarHBondContact O-CG 3.29Å; I329-R333 PolarHBondContact O-N 2.9Å; I329-R333 VanDerWaalsContact O-N 3.12Å; I329-T473 VanDerWaalsContact CD1-OG1 3.26Å; I329-T473 WeakPolarHBondContact CD1-OG1 3.31Å
330	Q	91.3	Very high	88.6	Confident	61 Å²	61	79.1 Å²	79.1	29%	0.285	38%	0.379	S	S	.	.	H	α-helix	trans	-61.3	-43.2	173	-70.8	-178.1	-14.8	0	0	111.7	H326 R327 T328 R333 E334	H326-Q330 PolarHBondContact CD2-NE2 3.37Å; H326-Q330 PolarHBondContact NE2-NE2 3.47Å; H326-Q330 WeakPolarHBondContact O-CG 3.47Å; H326-Q330 PolarHBondContact O-N 3.26Å; R327-Q330 WeakPolarHBondContact O-CB 3.4Å; R327-Q330 PolarHBondContact O-N 2.87Å; R327-Q330 VanDerWaalsContact O-N 3.17Å; T328-Q330 VanDerWaalsContact C-N 3.34Å; T328-Q330 PolarHBondContact O-N 3Å; Q330-R333 WeakPolarHBondContact O-CB 3.23Å; Q330-R333 PolarHBondContact O-N 2.8Å; Q330-E334 WeakPolarHBondContact O-CG 3.48Å; Q330-E334 PolarHBondContact O-N 2.81Å
331	L	92.7	Very high	88.5	Confident	75 Å²	75	84.7 Å²	84.7	39%	0.393	40%	0.399	S	S	.	.	H	α-helix	trans	-64	-42.8	178.2	-68.3	170.5	0	0	0	111.8	R327 T328 I329 R333 E334 I335	R327-L331 HydrophobicContact CG-CD1 4.45Å; R327-L331 WeakPolarHBondContact O-CG 3.3Å; R327-L331 PolarHBondContact O-N 3.39Å; T328-L331 PolarHBondContact O-N 2.87Å; I329-L331 VanDerWaalsContact C-N 3.34Å; L331-R333 VanDerWaalsContact C-N 3.27Å; L331-R333 PolarHBondContact O-N 2.6Å; L331-E334 WeakPolarHBondContact O-CB 3.44Å; L331-E334 PolarHBondContact O-N 2.79Å; L331-E334 VanDerWaalsContact O-N 3.13Å; L331-I335 WeakPolarHBondContact O-CG1 3.31Å; L331-I335 PolarHBondContact O-N 2.83Å
332	H	92.1	Very high	88	Confident	26 Å²	26	83.1 Å²	83.1	12%	0.12	40%	0.403	C	S	.	.	H	α-helix	trans	-59.2	-38.7	173.1	-72.8	-67	0	0	0	112.2	T328 I329 I335 V336 D350 L353	T328-H332 PolarHBondContact O-CD2 2.76Å; T328-H332 PolarHBondContact O-N 2.74Å; I329-H332 PolarHBondContact O-N 2.89Å; H332-I335 PolarHBondContact O-N 2.99Å; H332-V336 WeakPolarHBondContact O-CG2 3.4Å; H332-V336 PolarHBondContact O-N 3.42Å; H332-D350 IonicContact CE1-OD1 2.69Å; H332-D350 PolarHBondContact CE1-OD1 3.11Å; H332-D350 IonicContact CG-OD1 3.58Å; H332-D350 IonicContact ND1-OD1 2.8Å; H332-D350 PolarHBondContact ND1-OD1 3.34Å; H332-L353 HydrophobicContact CB-CB 4.08Å
333	R	91.2	Very high	87.4	Confident	47 Å²	47	86.6 Å²	86.6	18%	0.177	43%	0.432	C	S	.	.	H	α-helix	trans	-64.2	-42.3	175	-69.2	169.5	-176.8	167.8	10.1	111.7	I329 Q330 L331 V336 Q337 G354 I355	I329-R333 WeakPolarHBondContact O-CG 3.29Å; I329-R333 PolarHBondContact O-N 2.9Å; I329-R333 VanDerWaalsContact O-N 3.12Å; Q330-R333 WeakPolarHBondContact O-CB 3.23Å; Q330-R333 PolarHBondContact O-N 2.8Å; L331-R333 VanDerWaalsContact C-N 3.27Å; L331-R333 PolarHBondContact O-N 2.6Å; R333-V336 PolarHBondContact O-N 2.83Å; R333-Q337 WeakPolarHBondContact O-CB 3.43Å; R333-Q337 VanDerWaalsContact O-CG 3.29Å; R333-Q337 WeakPolarHBondContact O-CG 3.48Å; R333-Q337 PolarHBondContact O-N 2.98Å; R333-G354 WeakPolarHBondContact CG-O 3.45Å; R333-I355 PolarHBondContact NE-O 3.02Å
334	E	91.6	Very high	87	Confident	89 Å²	89	86.3 Å²	86.3	42%	0.416	44%	0.442	S	S	.	.	H	α-helix	trans	-61.9	-43.8	175.3	-72.3	173.3	-166.9	0	0	110.8	Q330 L331 V336 Q337 M338	Q330-E334 WeakPolarHBondContact O-CG 3.48Å; Q330-E334 PolarHBondContact O-N 2.81Å; L331-E334 WeakPolarHBondContact O-CB 3.44Å; L331-E334 PolarHBondContact O-N 2.79Å; L331-E334 VanDerWaalsContact O-N 3.13Å; E334-V336 PolarHBondContact O-N 2.93Å; E334-Q337 PolarHBondContact O-N 2.85Å; E334-M338 WeakPolarHBondContact O-CB 3.34Å; E334-M338 VanDerWaalsContact O-CG 3.27Å; E334-M338 WeakPolarHBondContact O-CG 3.45Å; E334-M338 PolarHBondContact O-N 2.79Å
335	I	91.1	Very high	86.6	Confident	77 Å²	77	90.2 Å²	90.2	40%	0.395	46%	0.457	S	S	.	.	H	α-helix	trans	-57.8	-50.3	175.2	-68.7	166.2	0	0	0	110.9	L331 H332 Q337 M338 G339 D350	L331-I335 WeakPolarHBondContact O-CG1 3.31Å; L331-I335 PolarHBondContact O-N 2.83Å; H332-I335 PolarHBondContact O-N 2.99Å; I335-Q337 VanDerWaalsContact C-N 3.3Å; I335-Q337 PolarHBondContact O-N 2.98Å; I335-M338 PolarHBondContact O-N 2.9Å; I335-G339 PolarHBondContact O-N 2.9Å; I335-D350 HydrophobicContact CG2-CB 4.12Å
336	V	90.3	Very high	86.5	Confident	24 Å²	24	86.1 Å²	86.1	15%	0.145	45%	0.446	C	S	.	.	H	α-helix	trans	-62.8	-37	179.1	172.3	0	0	0	0	111.9	H332 R333 E334 P346 D350 L351	H332-V336 WeakPolarHBondContact O-CG2 3.4Å; H332-V336 PolarHBondContact O-N 3.42Å; R333-V336 PolarHBondContact O-N 2.83Å; E334-V336 PolarHBondContact O-N 2.93Å; V336-P346 HydrophobicContact CG2-CB 4.35Å; V336-D350 HydrophobicContact CG2-CB 4.12Å; V336-D350 WeakPolarHBondContact CG2-O 3.4Å; V336-L351 HydrophobicContact CG1-CD2 4.39Å; V336-L351 HydrophobicContact CG2-CD2 4.29Å
337	Q	89.1	Confident	86.7	Confident	120 Å²	120	85.2 Å²	85.2	56%	0.561	45%	0.447	S	S	*	.	H	α-helix	trans	-68.2	-43.1	175.6	-75.9	180	-7.4	0	0	111.9	R333 E334 I335 R340 Y341	R333-Q337 WeakPolarHBondContact O-CB 3.43Å; R333-Q337 VanDerWaalsContact O-CG 3.29Å; R333-Q337 WeakPolarHBondContact O-CG 3.48Å; R333-Q337 PolarHBondContact O-N 2.98Å; E334-Q337 PolarHBondContact O-N 2.85Å; I335-Q337 VanDerWaalsContact C-N 3.3Å; I335-Q337 PolarHBondContact O-N 2.98Å; Q337-R340 WeakPolarHBondContact O-CB 3.45Å; Q337-R340 PolarHBondContact O-N 3.05Å; Q337-Y341 WeakPolarHBondContact O-CD2 2.96Å
338	M	88.2	Confident	86.5	Confident	123 Å²	123	89.7 Å²	89.7	61%	0.606	46%	0.464	S	S	*	.	H	α-helix	trans	-72.2	-31.7	-179.7	-70.3	-56.3	-61.8	0	0	112.8	E334 I335 R340 Y341 G342	E334-M338 WeakPolarHBondContact O-CB 3.34Å; E334-M338 VanDerWaalsContact O-CG 3.27Å; E334-M338 WeakPolarHBondContact O-CG 3.45Å; E334-M338 PolarHBondContact O-N 2.79Å; I335-M338 PolarHBondContact O-N 2.9Å; M338-R340 PolarHBondContact O-N 2.96Å; M338-R340 VanDerWaalsContact O-N 3.12Å; M338-Y341 CarbonylContact O-C 3.58Å; M338-Y341 WeakPolarHBondContact O-CA 3.42Å; M338-Y341 PolarHBondContact O-N 3.08Å; M338-G342 PolarHBondContact O-N 3.33Å
339	G	85.6	Confident	86.3	Confident	22 Å²	22	90 Å²	90	23%	0.227	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.9	173.5	0	0	0	0	0	113.5	I335 Y341	I335-G339 PolarHBondContact O-N 2.9Å; G339-Y341 PolarHBondContact O-N 2.57Å
340	R	81	Confident	86.2	Confident	200 Å²	200	90.4 Å²	90.4	76%	0.755	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.4	171.8	-60.5	-179.1	179.7	-170.7	-2.9	113.6	Q337 M338	Q337-R340 WeakPolarHBondContact O-CB 3.45Å; Q337-R340 PolarHBondContact O-N 3.05Å; M338-R340 PolarHBondContact O-N 2.96Å; M338-R340 VanDerWaalsContact O-N 3.12Å
341	Y	84.2	Confident	86	Confident	197 Å²	197	91.8 Å²	91.8	77%	0.773	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	-9.2	-176.4	-57.5	-75.4	0	0	0	112.9	Q337 M338 G339	Q337-Y341 WeakPolarHBondContact O-CD2 2.96Å; M338-Y341 CarbonylContact O-C 3.58Å; M338-Y341 WeakPolarHBondContact O-CA 3.42Å; M338-Y341 PolarHBondContact O-N 3.08Å; G339-Y341 PolarHBondContact O-N 2.57Å
342	G	75.9	Confident	85.7	Confident	47 Å²	47	92.4 Å²	92.4	49%	0.485	47%	0.473	S	S	.	.	S	Bend	trans	-112.2	166.2	-178.5	0	0	0	0	0	113	M338	M338-G342 PolarHBondContact O-N 3.33Å
343	A	69.6	Low	85.5	Confident	112 Å²	112	92.2 Å²	92.2	93%	0.926	47%	0.472	S	S	*	.	S	Bend	trans	-82.5	-12.7	177.6	0	0	0	0	0	113.9
344	A	76.8	Confident	85.4	Confident	82 Å²	82	90.2 Å²	90.2	68%	0.678	47%	0.466	S	S	*	.	S	Bend	trans	-87	119.6	178.6	0	0	0	0	0	110.2
345	E	82.1	Confident	85.2	Confident	184 Å²	184	88.2 Å²	88.2	86%	0.86	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-72	135.4	175.8	-66.5	-153.9	151	0	0	111.2
346	P	85.8	Confident	84.9	Confident	31 Å²	31	88.9 Å²	88.9	20%	0.201	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-59.2	143.7	173.7	-20.8	31.6	0	0	0	111.4	V336 D350 L351	V336-P346 HydrophobicContact CG2-CB 4.35Å; P346-D350 HydrophobicContact CB-CB 4.03Å; P346-L351 HydrophobicContact CB-CD2 4.04Å; P346-L351 HydrophobicContact CB-CG 4.12Å; P346-L351 HydrophobicContact CG-CD2 4.36Å
347	T	89.2	Confident	84.8	Confident	76 Å²	76	91.2 Å²	91.2	47%	0.466	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-68	162.1	175.3	70.7	0	0	0	0	111	E349 D350 L351	T347-E349 PolarHBondContact O-N 3.42Å; T347-D350 WeakPolarHBondContact CB-OD2 3.49Å; T347-D350 WeakPolarHBondContact CG2-OD2 3.28Å; T347-D350 PolarHBondContact N-OD2 3.3Å; T347-D350 VanDerWaalsContact N-OD2 3.1Å; T347-D350 WeakPolarHBondContact O-CB 3.31Å; T347-D350 PolarHBondContact O-N 3.49Å; T347-D350 VanDerWaalsContact O-N 3.13Å; T347-D350 PolarHBondContact OG1-N 2.86Å; T347-D350 VanDerWaalsContact OG1-N 3.15Å; T347-D350 PolarHBondContact OG1-OD2 3.43Å; T347-L351 WeakPolarHBondContact O-CG 3.48Å; T347-L351 PolarHBondContact O-N 2.87Å
348	R	87.4	Confident	84.7	Confident	212 Å²	212	87.8 Å²	87.8	80%	0.8	47%	0.472	S	S	*	.	H	α-helix	trans	-56.2	-35.9	174	178.9	179.5	155.8	170.3	-4.5	112.2	L351 Q352	R348-L351 PolarHBondContact O-N 2.8Å; R348-Q352 PolarHBondContact O-N 3.48Å
349	E	86.8	Confident	84.7	Confident	76 Å²	76	84.4 Å²	84.4	36%	0.355	45%	0.454	S	S	.	.	H	α-helix	trans	-67.8	-44.6	177.1	180	166.9	-153.6	0	0	111.5	T347 L351 Q352 L353 Q476	T347-E349 PolarHBondContact O-N 3.42Å; E349-L351 VanDerWaalsContact C-N 3.28Å; E349-L351 PolarHBondContact O-N 2.87Å; E349-Q352 PolarHBondContact O-N 2.77Å; E349-Q352 VanDerWaalsContact O-N 3.12Å; E349-L353 HydrophobicContact CG-CD1 3.73Å; E349-L353 HydrophobicContact CG-CG 4.31Å; E349-L353 PolarHBondContact O-N 3.46Å; E349-Q476 VanDerWaalsContact OE1-CG 3.24Å; E349-Q476 WeakPolarHBondContact OE1-CG 3.49Å; E349-Q476 PolarHBondContact OE1-NE2 3.44Å
350	D	88.6	Confident	84.8	Confident	18 Å²	18	89.3 Å²	89.3	10%	0.096	47%	0.473	C	S	.	.	H	α-helix	trans	-58.1	-43.4	173.6	-64.2	-52.3	0	0	0	111.2	H332 I335 V336 P346 T347 Q352 G354	H332-D350 IonicContact CE1-OD1 2.69Å; H332-D350 PolarHBondContact CE1-OD1 3.11Å; H332-D350 IonicContact CG-OD1 3.58Å; H332-D350 IonicContact ND1-OD1 2.8Å; H332-D350 PolarHBondContact ND1-OD1 3.34Å; I335-D350 HydrophobicContact CG2-CB 4.12Å; V336-D350 HydrophobicContact CG2-CB 4.12Å; V336-D350 WeakPolarHBondContact CG2-O 3.4Å; P346-D350 HydrophobicContact CB-CB 4.03Å; T347-D350 WeakPolarHBondContact CB-OD2 3.49Å; T347-D350 WeakPolarHBondContact CG2-OD2 3.28Å; T347-D350 PolarHBondContact N-OD2 3.3Å; T347-D350 VanDerWaalsContact N-OD2 3.1Å; T347-D350 WeakPolarHBondContact O-CB 3.31Å; T347-D350 PolarHBondContact O-N 3.49Å; T347-D350 VanDerWaalsContact O-N 3.13Å; T347-D350 PolarHBondContact OG1-N 2.86Å; T347-D350 VanDerWaalsContact OG1-N 3.15Å; T347-D350 PolarHBondContact OG1-OD2 3.43Å; D350-Q352 VanDerWaalsContact C-N 3.3Å; D350-Q352 PolarHBondContact O-N 3.37Å; D350-G354 WeakPolarHBondContact O-CA 3.48Å; D350-G354 PolarHBondContact O-N 2.88Å
351	L	87.6	Confident	85	Confident	90 Å²	90	81 Å²	81	47%	0.471	44%	0.441	S	S	.	.	H	α-helix	trans	-63.9	-34.3	177.6	-68.7	173.2	0	0	0	112.6	V336 P346 T347 R348 E349 I355	V336-L351 HydrophobicContact CG1-CD2 4.39Å; V336-L351 HydrophobicContact CG2-CD2 4.29Å; P346-L351 HydrophobicContact CB-CD2 4.04Å; P346-L351 HydrophobicContact CB-CG 4.12Å; P346-L351 HydrophobicContact CG-CD2 4.36Å; T347-L351 WeakPolarHBondContact O-CG 3.48Å; T347-L351 PolarHBondContact O-N 2.87Å; R348-L351 PolarHBondContact O-N 2.8Å; E349-L351 VanDerWaalsContact C-N 3.28Å; E349-L351 PolarHBondContact O-N 2.87Å; L351-I355 WeakPolarHBondContact O-CG1 3.31Å
352	Q	86.2	Confident	85	Confident	88 Å²	88	74.6 Å²	74.6	41%	0.411	42%	0.417	S	S	.	.	H	α-helix	trans	-77.4	-46.3	179.1	-177.6	175.7	-6.7	0	0	112.3	R348 E349 D350 I355	R348-Q352 PolarHBondContact O-N 3.48Å; E349-Q352 PolarHBondContact O-N 2.77Å; E349-Q352 VanDerWaalsContact O-N 3.12Å; D350-Q352 VanDerWaalsContact C-N 3.3Å; D350-Q352 PolarHBondContact O-N 3.37Å; Q352-I355 WeakPolarHBondContact O-CG1 2.99Å
353	L	88.3	Confident	85.5	Confident	22 Å²	22	78 Å²	78	12%	0.115	42%	0.421	C	S	.	.	H	α-helix	trans	-82.3	-30	-176.5	-62.5	178.3	0	0	0	112.3	H332 E349 I355 Q476	H332-L353 HydrophobicContact CB-CB 4.08Å; E349-L353 HydrophobicContact CG-CD1 3.73Å; E349-L353 HydrophobicContact CG-CG 4.31Å; E349-L353 PolarHBondContact O-N 3.46Å; L353-I355 VanDerWaalsContact C-N 3.28Å; L353-I355 PolarHBondContact O-N 3.41Å; L353-Q476 HydrophobicContact CD1-CB 4.36Å
354	G	88.4	Confident	86.3	Confident	4 Å²	4	75.3 Å²	75.3	4%	0.041	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	4.2	-178.8	0	0	0	0	0	115	R333 D350	R333-G354 WeakPolarHBondContact CG-O 3.45Å; D350-G354 WeakPolarHBondContact O-CA 3.48Å; D350-G354 PolarHBondContact O-N 2.88Å
355	I	86.8	Confident	86.9	Confident	48 Å²	48	79.7 Å²	79.7	25%	0.246	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-65	135	175	-53.1	-177.1	0	0	0	109.1	R333 L351 Q352 L353 R361 Y440	R333-I355 PolarHBondContact NE-O 3.02Å; L351-I355 WeakPolarHBondContact O-CG1 3.31Å; Q352-I355 WeakPolarHBondContact O-CG1 2.99Å; L353-I355 VanDerWaalsContact C-N 3.28Å; L353-I355 PolarHBondContact O-N 3.41Å; I355-R361 HydrophobicContact CG2-CG 4.11Å; I355-R361 PolarHBondContact O-NH2 3.47Å; I355-Y440 HydrophobicContact CD1-CE1 3.9Å
356	P	86.1	Confident	87.1	Confident	91 Å²	91	76.5 Å²	76.5	59%	0.591	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-69.9	146	174.6	28.1	-35.2	0	0	0	111.6	S358 R361	P356-S358 PolarHBondContact O-N 3.13Å; P356-R361 VanDerWaalsContact O-CZ 3.29Å; P356-R361 PolarHBondContact O-NE 2.86Å; P356-R361 PolarHBondContact O-NH2 2.97Å
357	P	87.1	Confident	86.8	Confident	72 Å²	72	84 Å²	84	47%	0.468	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-55.5	130.9	-178.2	-28.8	37.4	0	0	0	113.1	R361 Q471	P357-R361 VanDerWaalsContact N-NH2 3.12Å; P357-Q471 HydrophobicContact CB-CB 4.38Å
358	S	87.6	Confident	86.3	Confident	49 Å²	49	86.5 Å²	86.5	34%	0.343	42%	0.419	S	S	.	.			trans	-162.4	141.8	176.7	175.1	0	0	0	0	110.2	P356 M360 R361 Q471	P356-S358 PolarHBondContact O-N 3.13Å; S358-M360 PolarHBondContact O-N 3.38Å; S358-M360 PolarHBondContact OG-N 3.13Å; S358-R361 WeakPolarHBondContact O-CG 3.27Å; S358-Q471 PolarHBondContact O-NE2 3.18Å; S358-Q471 VanDerWaalsContact O-NE2 3.11Å; S358-Q471 PolarHBondContact O-OE1 2.8Å
359	F	88.1	Confident	85.9	Confident	51 Å²	51	79.6 Å²	79.6	22%	0.224	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-5.1	171.5	-60.6	-37.6	0	0	0	113.3	W373 R435 E443 V445 Y469 L470	F359-W373 HydrophobicContact CD1-CH2 4.37Å; F359-W373 HydrophobicContact CE1-CH2 4.31Å; F359-R435 PolarHBondContact O-NH2 2.89Å; F359-E443 HydrophobicContact CD1-CB 3.99Å; F359-E443 HydrophobicContact CD1-CG 3.82Å; F359-E443 WeakPolarHBondContact CD1-OE2 3.44Å; F359-E443 HydrophobicContact CE1-CB 3.8Å; F359-E443 HydrophobicContact CE1-CG 3.96Å; F359-V445 HydrophobicContact CE2-CG2 4.09Å; F359-V445 HydrophobicContact CZ-CG2 4.22Å; F359-Y469 AromaticContact CE2-CD1 3.8Å; F359-Y469 HydrophobicContact CE2-CD1 3.8Å; F359-Y469 HydrophobicContact CE2-CG 4.28Å; F359-Y469 HydrophobicContact CZ-CD1 4.46Å; F359-L470 WeakPolarHBondContact CE1-O 3.17Å
360	M	86.7	Confident	85.8	Confident	126 Å²	126	79.8 Å²	79.8	62%	0.621	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	20.7	-179.5	-55.3	-60	-66	0	0	111.7	S358 F362 H363	S358-M360 PolarHBondContact O-N 3.38Å; S358-M360 PolarHBondContact OG-N 3.13Å; M360-F362 VanDerWaalsContact C-N 3.35Å; M360-H363 PolarHBondContact O-CE1 2.78Å; M360-H363 PolarHBondContact O-ND1 3.14Å; M360-H363 PolarHBondContact O-NE2 2.8Å
361	R	85	Confident	85.8	Confident	26 Å²	26	81 Å²	81	10%	0.098	41%	0.409	C	S	.	.	S	Bend	trans	-71.1	-33.2	179.1	-71.6	176.1	179.1	-166.7	-2	113	I355 P356 P357 S358 Y440	I355-R361 HydrophobicContact CG2-CG 4.11Å; I355-R361 PolarHBondContact O-NH2 3.47Å; P356-R361 VanDerWaalsContact O-CZ 3.29Å; P356-R361 PolarHBondContact O-NE 2.86Å; P356-R361 PolarHBondContact O-NH2 2.97Å; P357-R361 VanDerWaalsContact N-NH2 3.12Å; S358-R361 WeakPolarHBondContact O-CG 3.27Å; R361-Y440 HydrophobicContact CB-CD2 3.61Å; R361-Y440 HydrophobicContact CB-CE2 3.57Å; R361-Y440 HydrophobicContact CB-CG 4.17Å
362	F	86.1	Confident	85.7	Confident	62 Å²	62	82.1 Å²	82.1	27%	0.272	41%	0.411	S	S	.	.			trans	-101.1	123.4	178.4	177.4	-100.5	0	0	0	109.2	M360 P364 E369 L371 N437 Y440	M360-F362 VanDerWaalsContact C-N 3.35Å; F362-P364 HydrophobicContact CE1-CB 3.93Å; F362-P364 HydrophobicContact CE1-CG 4.44Å; F362-P364 HydrophobicContact CZ-CB 4.49Å; F362-E369 VanDerWaalsContact CE1-O 3.27Å; F362-E369 WeakPolarHBondContact CE1-O 3.23Å; F362-E369 HydrophobicContact CZ-CB 4.27Å; F362-L371 HydrophobicContact CD1-CD1 4.06Å; F362-L371 HydrophobicContact CD1-CG 4.21Å; F362-L371 HydrophobicContact CE1-CD1 4.47Å; F362-L371 HydrophobicContact CE1-CG 4.21Å; F362-N437 WeakPolarHBondContact CB-ND2 3.49Å; F362-Y440 HydrophobicContact CB-CD2 4.4Å; F362-Y440 HydrophobicContact CB-CE2 4.15Å
363	H	86.5	Confident	85.9	Confident	119 Å²	119	81.8 Å²	81.8	55%	0.551	41%	0.406	S	S	*	.			trans	-112.4	102.3	179.3	-65.4	89.5	0	0	0	107.4	M360 H365	M360-H363 PolarHBondContact O-CE1 2.78Å; M360-H363 PolarHBondContact O-ND1 3.14Å; M360-H363 PolarHBondContact O-NE2 2.8Å; H363-H365 PolarHBondContact O-N 3.2Å
364	P	86.4	Confident	86	Confident	55 Å²	55	82.1 Å²	82.1	36%	0.357	41%	0.407	S	S	.	.			trans	-65.1	135	175.7	26	-31.1	0	0	0	109.6	F362 E369 V370	F362-P364 HydrophobicContact CE1-CB 3.93Å; F362-P364 HydrophobicContact CE1-CG 4.44Å; F362-P364 HydrophobicContact CZ-CB 4.49Å; P364-E369 WeakPolarHBondContact CA-OE2 3.5Å; P364-E369 HydrophobicContact CB-CB 3.66Å; P364-V370 HydrophobicContact CB-CG2 4.1Å; P364-V370 HydrophobicContact CG-CG2 3.81Å
365	H	89.4	Confident	86.2	Confident	173 Å²	173	85 Å²	85	80%	0.801	42%	0.419	S	S	*	.	S	Bend	trans	-86.1	-26.5	173	-63.8	-66.9	0	0	0	111.5	H363 E369	H363-H365 PolarHBondContact O-N 3.2Å; H365-E369 PolarHBondContact N-OE2 3Å
366	Q	85.7	Confident	86.6	Confident	118 Å²	118	82.9 Å²	82.9	55%	0.551	41%	0.408	S	S	*	.	S	Bend	trans	-126.3	158.4	-179.8	-53.1	-171.3	19.2	0	0	111.3	D368 E369	Q366-D368 VanDerWaalsContact C-N 3.3Å; Q366-D368 WeakPolarHBondContact CB-OD1 3.26Å; Q366-D368 PolarHBondContact O-N 3.09Å; Q366-E369 HydrophobicContact CB-CG 4.27Å; Q366-E369 PolarHBondContact N-OE2 2.92Å; Q366-E369 WeakPolarHBondContact O-CB 3.47Å; Q366-E369 PolarHBondContact O-N 2.76Å
367	R	79.2	Confident	86.8	Confident	188 Å²	188	80 Å²	80	71%	0.709	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-63.5	-36.9	-175.7	-179.5	-179.2	176.5	163.8	5.6	112.3	E369 V370 A799	R367-E369 PolarHBondContact O-N 3.07Å; R367-V370 WeakPolarHBondContact O-CB 3.35Å; R367-V370 VanDerWaalsContact O-CG2 3.25Å; R367-V370 WeakPolarHBondContact O-CG2 3.38Å; R367-V370 PolarHBondContact O-N 3.45Å; R367-A799 VanDerWaalsContact CZ-OXT 3.27Å; R367-A799 PolarHBondContact NH1-OXT 2.89Å; R367-A799 PolarHBondContact NH2-O 3.07Å; R367-A799 PolarHBondContact NH2-OXT 2.64Å
368	D	78.3	Confident	86.5	Confident	128 Å²	128	78.4 Å²	78.4	68%	0.684	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-70.3	-17.8	179	57.9	-48.2	0	0	0	113.4	Q366 V370	Q366-D368 VanDerWaalsContact C-N 3.3Å; Q366-D368 WeakPolarHBondContact CB-OD1 3.26Å; Q366-D368 PolarHBondContact O-N 3.09Å; D368-V370 VanDerWaalsContact C-N 3.31Å
369	E	80.1	Confident	86.3	Confident	68 Å²	68	83 Å²	83	32%	0.318	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-80.7	-10.9	173.4	-63.2	176	-180	0	0	112.8	F362 P364 H365 Q366 R367 L371	F362-E369 VanDerWaalsContact CE1-O 3.27Å; F362-E369 WeakPolarHBondContact CE1-O 3.23Å; F362-E369 HydrophobicContact CZ-CB 4.27Å; P364-E369 WeakPolarHBondContact CA-OE2 3.5Å; P364-E369 HydrophobicContact CB-CB 3.66Å; H365-E369 PolarHBondContact N-OE2 3Å; Q366-E369 HydrophobicContact CB-CG 4.27Å; Q366-E369 PolarHBondContact N-OE2 2.92Å; Q366-E369 WeakPolarHBondContact O-CB 3.47Å; Q366-E369 PolarHBondContact O-N 2.76Å; R367-E369 PolarHBondContact O-N 3.07Å; E369-L371 PolarHBondContact O-N 2.93Å; E369-L371 VanDerWaalsContact O-N 3.16Å
370	V	84.8	Confident	86.2	Confident	79 Å²	79	84.8 Å²	84.8	48%	0.479	41%	0.405	S	S	.	.			trans	-64.9	117.5	-177.5	177.6	0	0	0	0	110.3	P364 R367 D368 E372	P364-V370 HydrophobicContact CB-CG2 4.1Å; P364-V370 HydrophobicContact CG-CG2 3.81Å; R367-V370 WeakPolarHBondContact O-CB 3.35Å; R367-V370 VanDerWaalsContact O-CG2 3.25Å; R367-V370 WeakPolarHBondContact O-CG2 3.38Å; R367-V370 PolarHBondContact O-N 3.45Å; D368-V370 VanDerWaalsContact C-N 3.31Å; V370-E372 PolarHBondContact O-N 3.39Å
371	L	86.8	Confident	86.2	Confident	44 Å²	44	78.8 Å²	78.8	23%	0.23	38%	0.375	C	S	.	.			trans	-73.1	112.3	175.9	-59.5	177.6	0	0	0	110.8	F362 E369 N437	F362-L371 HydrophobicContact CD1-CD1 4.06Å; F362-L371 HydrophobicContact CD1-CG 4.21Å; F362-L371 HydrophobicContact CE1-CD1 4.47Å; F362-L371 HydrophobicContact CE1-CG 4.21Å; E369-L371 PolarHBondContact O-N 2.93Å; E369-L371 VanDerWaalsContact O-N 3.16Å; L371-N437 HydrophobicContact CD1-CB 4Å; L371-N437 WeakPolarHBondContact CD1-ND2 3.47Å
372	E	86	Confident	86.3	Confident	113 Å²	113	80.7 Å²	80.7	53%	0.528	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-69.5	148	178.8	-61.9	-173.3	171.5	0	0	112.6	V370 S384 R435	V370-E372 PolarHBondContact O-N 3.39Å; E372-S384 WeakPolarHBondContact OE2-CB 3.45Å; E372-S384 PolarHBondContact OE2-OG 3.41Å; E372-R435 VanDerWaalsContact O-CB 3.28Å; E372-R435 WeakPolarHBondContact O-CB 3.38Å
373	W	90	Very high	86	Confident	81 Å²	81	78.4 Å²	78.4	31%	0.307	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-92.9	125.5	172.6	-72.9	93.9	0	0	0	110.4	F359 Y433 R434 R435 E443 V445	F359-W373 HydrophobicContact CD1-CH2 4.37Å; F359-W373 HydrophobicContact CE1-CH2 4.31Å; W373-Y433 HydrophobicContact CB-CD1 4.22Å; W373-R434 VanDerWaalsContact CE3-C 3.47Å; W373-R435 HydrophobicContact CD2-CB 4.26Å; W373-R435 HydrophobicContact CD2-CG 3.95Å; W373-R435 VanDerWaalsContact CE2-CD 3.48Å; W373-R435 HydrophobicContact CE3-CB 4.07Å; W373-R435 HydrophobicContact CE3-CG 3.82Å; W373-R435 HydrophobicContact CH2-CG 3.98Å; W373-R435 HydrophobicContact CZ2-CG 4.08Å; W373-R435 VanDerWaalsContact CZ2-NE 3.25Å; W373-R435 HydrophobicContact CZ3-CB 4.47Å; W373-R435 HydrophobicContact CZ3-CG 3.85Å; W373-E443 HydrophobicContact CH2-CB 3.86Å; W373-E443 HydrophobicContact CZ3-CB 4.23Å; W373-V445 HydrophobicContact CH2-CG2 3.83Å; W373-V445 HydrophobicContact CZ2-CG2 4.45Å; W373-V445 HydrophobicContact CZ3-CG2 4.03Å
374	E	91.3	Very high	85.2	Confident	29 Å²	29	76.3 Å²	76.3	14%	0.136	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123.9	168.7	-68.5	171.8	88.6	0	0	109.3	F382 R392 Y433 R434	E374-F382 CarbonylContact C-O 3.47Å; E374-F382 WeakPolarHBondContact CA-O 3.44Å; E374-R392 IonicContact OE1-NH2 3.01Å; E374-R392 PolarHBondContact OE1-NH2 3.02Å; E374-Y433 CarbonylContact O-C 3.12Å; E374-Y433 WeakPolarHBondContact O-CA 3.28Å; E374-R434 HydrophobicContact CB-CG 4.12Å; E374-R434 PolarHBondContact N-O 2.95Å; E374-R434 PolarHBondContact O-N 3Å; E374-R434 IonicContact OE1-CZ 2.68Å; E374-R434 VanDerWaalsContact OE1-CZ 3.31Å; E374-R434 IonicContact OE1-NH1 3.9Å; E374-R434 PolarHBondContact OE1-NH1 2.96Å; E374-R434 IonicContact OE1-NH2 3.68Å; E374-R434 PolarHBondContact OE1-NH2 3.32Å; E374-R434 IonicContact OE2-CZ 3.76Å; E374-R434 IonicContact OE2-NE 3.92Å; E374-R434 IonicContact OE2-NH1 3.62Å; E374-R434 PolarHBondContact OE2-NH1 3.26Å; E374-R434 IonicContact OE2-NH2 2.7Å; E374-R434 PolarHBondContact OE2-NH2 2.91Å
375	F	93.3	Very high	84.2	Confident	66 Å²	66	75.2 Å²	75.2	29%	0.289	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	139.3	172.8	175.3	-102.3	0	0	0	109.7	T377 F382 Y431 G432 Y433	F375-T377 HydrophobicContact CE1-CG2 3.88Å; F375-T377 HydrophobicContact CZ-CG2 4.26Å; F375-F382 HydrophobicContact CB-CB 4.16Å; F375-F382 HydrophobicContact CD1-CB 4.12Å; F375-F382 AromaticContact CD1-CD2 3.43Å; F375-F382 HydrophobicContact CD1-CD2 3.43Å; F375-F382 VanDerWaalsContact CD1-CD2 3.43Å; F375-F382 AromaticContact CD1-CE2 4Å; F375-F382 HydrophobicContact CD1-CE2 4Å; F375-F382 AromaticContact CD1-CG 3.92Å; F375-F382 HydrophobicContact CD1-CG 3.92Å; F375-F382 AromaticContact CE1-CD2 3.97Å; F375-F382 HydrophobicContact CE1-CD2 3.97Å; F375-F382 HydrophobicContact CE1-CE2 4.04Å; F375-F382 PolarHBondContact N-O 3.5Å; F375-F382 PolarHBondContact O-N 3.48Å; F375-Y431 AromaticContact CE2-CD2 3.96Å; F375-Y431 HydrophobicContact CE2-CD2 3.96Å; F375-Y431 HydrophobicContact CE2-CG 4Å; F375-Y431 HydrophobicContact CZ-CG 4.4Å; F375-G432 WeakPolarHBondContact CD2-O 3.13Å; F375-Y433 HydrophobicContact CB-CD1 4.25Å; F375-Y433 HydrophobicContact CB-CE1 4.15Å; F375-Y433 HydrophobicContact CD2-CD1 4.21Å; F375-Y433 AromaticContact CD2-CE1 3.71Å; F375-Y433 HydrophobicContact CD2-CE1 3.71Å; F375-Y433 HydrophobicContact CD2-CE2 4.4Å; F375-Y433 AromaticContact CD2-CZ 3.81Å; F375-Y433 HydrophobicContact CG-CE1 4.41Å
376	L	93.6	Very high	82.4	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.01	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	151.7	179.4	69	85.1	0	0	0	111.8	Y380 L381 L402 I429 Y431 G432 R434 L446	L376-Y380 WeakPolarHBondContact CA-O 3.01Å; L376-L381 HydrophobicContact CB-CD2 3.37Å; L376-L381 HydrophobicContact CD2-CD2 4.45Å; L376-L402 HydrophobicContact CD1-CD2 4.41Å; L376-I429 HydrophobicContact CD1-CG2 4.06Å; L376-Y431 CarbonylContact O-C 3.58Å; L376-Y431 VanDerWaalsContact O-CA 3.31Å; L376-Y431 WeakPolarHBondContact O-CA 3.45Å; L376-G432 PolarHBondContact N-O 3.17Å; L376-G432 PolarHBondContact O-N 2.82Å; L376-R434 HydrophobicContact CD2-CB 3.77Å; L376-R434 HydrophobicContact CD2-CG 3.95Å; L376-L446 HydrophobicContact CD1-CD2 4.12Å; L376-L446 HydrophobicContact CD2-CD2 4.35Å
377	T	90.1	Very high	80.8	Confident	32 Å²	32	71.2 Å²	71.2	20%	0.196	36%	0.364	C	S	.	.			trans	-118.9	176.5	165.1	59.3	0	0	0	0	107.7	F375 K379 Y380 F382 M394	F375-T377 HydrophobicContact CE1-CG2 3.88Å; F375-T377 HydrophobicContact CZ-CG2 4.26Å; T377-K379 PolarHBondContact O-N 3.11Å; T377-K379 PolarHBondContact OG1-N 3.45Å; T377-Y380 PolarHBondContact N-O 3.18Å; T377-Y380 PolarHBondContact OG1-N 2.93Å; T377-Y380 PolarHBondContact OG1-O 2.94Å; T377-F382 HydrophobicContact CG2-CE2 4.03Å; T377-M394 WeakPolarHBondContact O-CE 3.36Å
378	G	81.1	Confident	79.7	Confident	37 Å²	37	65.5 Å²	65.5	38%	0.381	35%	0.346	S	S	.	.	S	Bend	trans	-59.5	-8.6	173.7	0	0	0	0	0	115.5	M394	G378-M394 WeakPolarHBondContact O-CE 3.28Å
379	K	83.8	Confident	78.7	Confident	145 Å²	145	62.9 Å²	62.9	63%	0.63	34%	0.335	S	S	*	.	S	Bend	trans	-131.3	-31.5	-177.7	-64.9	-178	-178.2	177.4	0	115.1	T377 M394	T377-K379 PolarHBondContact O-N 3.11Å; T377-K379 PolarHBondContact OG1-N 3.45Å; K379-M394 PolarHBondContact O-N 3.12Å
380	Y	85.4	Confident	78.3	Confident	90 Å²	90	63.2 Å²	63.2	35%	0.353	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	150.2	-171.2	-57.2	-78.4	0	0	0	111.8	L376 T377 R391 R392	L376-Y380 WeakPolarHBondContact CA-O 3.01Å; T377-Y380 PolarHBondContact N-O 3.18Å; T377-Y380 PolarHBondContact OG1-N 2.93Å; T377-Y380 PolarHBondContact OG1-O 2.94Å; Y380-R391 HydrophobicContact CD1-CG 4.32Å; Y380-R391 PolarHBondContact OH-NH2 3.31Å; Y380-R392 CarbonylContact C-O 3.59Å; Y380-R392 VanDerWaalsContact CA-O 3.29Å; Y380-R392 WeakPolarHBondContact CA-O 3.29Å
381	L	88	Confident	78	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.6	167.1	-64.2	171.9	0	0	0	109.6	L376 R391 R392 M394 Q398 R434	L376-L381 HydrophobicContact CB-CD2 3.37Å; L376-L381 HydrophobicContact CD2-CD2 4.45Å; L381-R391 WeakPolarHBondContact O-CA 3.39Å; L381-R392 HydrophobicContact CB-CG 3.91Å; L381-R392 PolarHBondContact N-O 2.92Å; L381-R392 PolarHBondContact O-N 3.47Å; L381-M394 HydrophobicContact CD1-CG 3.85Å; L381-M394 HydrophobicContact CD2-CG 3.95Å; L381-M394 HydrophobicContact CD2-SD 4.18Å; L381-M394 HydrophobicContact CG-CG 3.52Å; L381-M394 HydrophobicContact CG-SD 4.41Å; L381-Q398 VanDerWaalsContact CD1-CD 3.48Å; L381-R434 VanDerWaalsContact CD1-CZ 3.48Å
382	F	85.6	Confident	77.6	Confident	66 Å²	66	66.7 Å²	66.7	29%	0.289	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	118.4	177.1	-59.8	-101.6	0	0	0	107.5	E374 F375 T377 P390 R391	E374-F382 CarbonylContact C-O 3.47Å; E374-F382 WeakPolarHBondContact CA-O 3.44Å; F375-F382 HydrophobicContact CB-CB 4.16Å; F375-F382 HydrophobicContact CD1-CB 4.12Å; F375-F382 AromaticContact CD1-CD2 3.43Å; F375-F382 HydrophobicContact CD1-CD2 3.43Å; F375-F382 VanDerWaalsContact CD1-CD2 3.43Å; F375-F382 AromaticContact CD1-CE2 4Å; F375-F382 HydrophobicContact CD1-CE2 4Å; F375-F382 AromaticContact CD1-CG 3.92Å; F375-F382 HydrophobicContact CD1-CG 3.92Å; F375-F382 AromaticContact CE1-CD2 3.97Å; F375-F382 HydrophobicContact CE1-CD2 3.97Å; F375-F382 HydrophobicContact CE1-CE2 4.04Å; F375-F382 PolarHBondContact N-O 3.5Å; F375-F382 PolarHBondContact O-N 3.48Å; T377-F382 HydrophobicContact CG2-CE2 4.03Å; F382-P390 WeakPolarHBondContact CA-O 3.33Å; F382-R391 HydrophobicContact CD1-CB 3.94Å; F382-R391 HydrophobicContact CD1-CG 4.15Å; F382-R391 HydrophobicContact CE1-CB 3.88Å; F382-R391 HydrophobicContact CE1-CG 3.69Å; F382-R391 HydrophobicContact CZ-CG 4.04Å
383	S	80.5	Confident	77.1	Confident	13 Å²	13	63.5 Å²	63.5	9%	0.091	34%	0.342	C	S	.	.			trans	-118.1	136.2	-178.7	-168.8	0	0	0	0	109.5	S385 P390	S383-S385 VanDerWaalsContact C-N 3.27Å; S383-S385 VanDerWaalsContact OG-CB 3.26Å; S383-S385 WeakPolarHBondContact OG-CB 2.8Å; S383-S385 PolarHBondContact OG-N 3.04Å; S383-S385 PolarHBondContact OG-OG 2.94Å; S383-P390 PolarHBondContact N-O 2.97Å
384	S	69.8	Low	76.7	Confident	76 Å²	76	60.2 Å²	60.2	53%	0.531	33%	0.33	S	S	.	.			trans	-80.8	-11.4	164.9	39.9	0	0	0	0	112.2	E372 D386	E372-S384 WeakPolarHBondContact OE2-CB 3.45Å; E372-S384 PolarHBondContact OE2-OG 3.41Å; S384-D386 PolarHBondContact O-N 3.01Å
385	S	66.4	Low	76.1	Confident	31 Å²	31	61.6 Å²	61.6	22%	0.217	34%	0.338	C	S	.	.			trans	-62.3	121.7	-177.3	71.6	0	0	0	0	110.6	S383 S387 Q388	S383-S385 VanDerWaalsContact C-N 3.27Å; S383-S385 VanDerWaalsContact OG-CB 3.26Å; S383-S385 WeakPolarHBondContact OG-CB 2.8Å; S383-S385 PolarHBondContact OG-N 3.04Å; S383-S385 PolarHBondContact OG-OG 2.94Å; S385-S387 PolarHBondContact O-N 2.89Å; S385-Q388 PolarHBondContact O-N 3.39Å; S385-Q388 WeakPolarHBondContact OG-CB 3.46Å
386	D	51.4	Low	75.3	Confident	113 Å²	113	63 Å²	63	60%	0.604	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	-38.2	-179.7	-78.7	-9.7	0	0	0	113.1	S384 Q388 S680	S384-D386 PolarHBondContact O-N 3.01Å; D386-Q388 VanDerWaalsContact C-N 3.29Å; D386-Q388 PolarHBondContact O-N 2.04Å; D386-S680 WeakPolarHBondContact CB-OG 3.17Å; D386-S680 WeakPolarHBondContact O-CB 3.5Å
387	S	51.4	Low	74.6	Confident	94 Å²	94	66.6 Å²	66.6	66%	0.657	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-1.4	-176.3	61.9	0	0	0	0	116.1	S385	S385-S387 PolarHBondContact O-N 2.89Å
388	Q	55.6	Low	74.3	Confident	69 Å²	69	66.9 Å²	66.9	32%	0.322	38%	0.381	S	S	.	.	S	Bend	trans	-129.3	150.2	-177.9	-61.1	-167.5	1.8	0	0	112.3	S385 D386 R392	S385-Q388 PolarHBondContact O-N 3.39Å; S385-Q388 WeakPolarHBondContact OG-CB 3.46Å; D386-Q388 VanDerWaalsContact C-N 3.29Å; D386-Q388 PolarHBondContact O-N 2.04Å; Q388-R392 VanDerWaalsContact OE1-CZ 3.22Å
389	P	57.3	Low	74.5	Confident	73 Å²	73	70.2 Å²	70.2	47%	0.474	38%	0.382	S	S	.	.			trans	-56.3	137.4	172.4	-22.7	32.6	0	0	0	110.9	R391	P389-R391 PolarHBondContact O-N 3.05Å
390	P	71.3	Confident	74.5	Confident	75 Å²	75	68 Å²	68	49%	0.487	37%	0.374	S	S	.	.	S	Bend	trans	-57.4	-23.8	-179.1	-26.9	33.6	0	0	0	114	F382 S383	F382-P390 WeakPolarHBondContact CA-O 3.33Å; S383-P390 PolarHBondContact N-O 2.97Å
391	R	79.4	Confident	74.4	Confident	142 Å²	142	65.4 Å²	65.4	54%	0.536	37%	0.371	S	S	.	.	S	Bend	trans	-136	126	171.3	177.4	-178.4	169.4	-176.9	-5.3	109.3	Y380 L381 F382 P389	Y380-R391 HydrophobicContact CD1-CG 4.32Å; Y380-R391 PolarHBondContact OH-NH2 3.31Å; L381-R391 WeakPolarHBondContact O-CA 3.39Å; F382-R391 HydrophobicContact CD1-CB 3.94Å; F382-R391 HydrophobicContact CD1-CG 4.15Å; F382-R391 HydrophobicContact CE1-CB 3.88Å; F382-R391 HydrophobicContact CE1-CG 3.69Å; F382-R391 HydrophobicContact CZ-CG 4.04Å; P389-R391 PolarHBondContact O-N 3.05Å
392	R	78.2	Confident	74.5	Confident	54 Å²	54	65.8 Å²	65.8	20%	0.204	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	150.5	173.2	63.3	-175.8	177.5	120.1	-8.3	111.6	E374 Y380 L381 Q388 D395 R434	E374-R392 IonicContact OE1-NH2 3.01Å; E374-R392 PolarHBondContact OE1-NH2 3.02Å; Y380-R392 CarbonylContact C-O 3.59Å; Y380-R392 VanDerWaalsContact CA-O 3.29Å; Y380-R392 WeakPolarHBondContact CA-O 3.29Å; L381-R392 HydrophobicContact CB-CG 3.91Å; L381-R392 PolarHBondContact N-O 2.92Å; L381-R392 PolarHBondContact O-N 3.47Å; Q388-R392 VanDerWaalsContact OE1-CZ 3.22Å; R392-D395 IonicContact NH1-OD1 2.71Å; R392-R434 VanDerWaalsContact NH2-NH2 3.18Å
393	G	76.1	Confident	74.5	Confident	45 Å²	45	65.8 Å²	65.8	46%	0.464	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	142.4	165.6	0	0	0	0	0	109.6	D395	G393-D395 PolarHBondContact O-N 3.43Å
394	M	81.9	Confident	74.6	Confident	12 Å²	12	66.9 Å²	66.9	6%	0.059	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-62.5	131.3	170.6	-81	-171.9	-77	0	0	110	T377 G378 K379 L381 Q398 R399 L402	T377-M394 WeakPolarHBondContact O-CE 3.36Å; G378-M394 WeakPolarHBondContact O-CE 3.28Å; K379-M394 PolarHBondContact O-N 3.12Å; L381-M394 HydrophobicContact CD1-CG 3.85Å; L381-M394 HydrophobicContact CD2-CG 3.95Å; L381-M394 HydrophobicContact CD2-SD 4.18Å; L381-M394 HydrophobicContact CG-CG 3.52Å; L381-M394 HydrophobicContact CG-SD 4.41Å; M394-Q398 HydrophobicContact CB-CB 4.49Å; M394-R399 PolarHBondContact O-NH2 2.91Å; M394-L402 HydrophobicContact CE-CD2 4.12Å; M394-L402 HydrophobicContact SD-CD2 4.02Å
395	D	77.9	Confident	75.4	Confident	58 Å²	58	64 Å²	64	31%	0.31	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-67.7	165.9	170.2	67.4	-107.3	0	0	0	110.8	R392 G393 S397 Q398 R399	R392-D395 IonicContact NH1-OD1 2.71Å; G393-D395 PolarHBondContact O-N 3.43Å; D395-S397 VanDerWaalsContact C-N 3.29Å; D395-S397 PolarHBondContact O-N 2.97Å; D395-S397 WeakPolarHBondContact OD2-CA 3.45Å; D395-S397 WeakPolarHBondContact OD2-CB 3.36Å; D395-S397 PolarHBondContact OD2-N 2.8Å; D395-S397 PolarHBondContact OD2-OG 2.95Å; D395-Q398 PolarHBondContact O-N 3.36Å; D395-Q398 WeakPolarHBondContact OD1-CG 3.44Å; D395-Q398 PolarHBondContact OD1-OE1 2.81Å; D395-Q398 WeakPolarHBondContact OD2-CG 3.28Å; D395-Q398 PolarHBondContact OD2-N 2.87Å; D395-R399 WeakPolarHBondContact O-CB 3.22Å; D395-R399 PolarHBondContact O-N 2.92Å
396	S	76	Confident	76.5	Confident	96 Å²	96	62.9 Å²	62.9	67%	0.671	35%	0.351	S	S	*	.	H	α-helix	trans	-62	-37	-176.6	49.6	0	0	0	0	112.5	Q400	S396-Q400 VanDerWaalsContact O-CB 3.31Å; S396-Q400 WeakPolarHBondContact O-CB 2.75Å; S396-Q400 PolarHBondContact O-N 3.44Å
397	S	79.1	Confident	77.9	Confident	77 Å²	77	58 Å²	58	54%	0.538	33%	0.325	S	S	.	.	H	α-helix	trans	-69.2	-41.8	-179.1	75.6	0	0	0	0	111.5	D395 Q400 A401	D395-S397 VanDerWaalsContact C-N 3.29Å; D395-S397 PolarHBondContact O-N 2.97Å; D395-S397 WeakPolarHBondContact OD2-CA 3.45Å; D395-S397 WeakPolarHBondContact OD2-CB 3.36Å; D395-S397 PolarHBondContact OD2-N 2.8Å; D395-S397 PolarHBondContact OD2-OG 2.95Å; S397-Q400 PolarHBondContact O-N 2.85Å; S397-A401 WeakPolarHBondContact O-CB 3.44Å; S397-A401 PolarHBondContact O-N 3.17Å
398	Q	84.4	Confident	79.4	Confident	38 Å²	38	56.9 Å²	56.9	18%	0.178	31%	0.309	C	S	.	.	H	α-helix	trans	-66	-43	176.1	-71.9	178	-27	0	0	112.1	L381 M394 D395 A401 L402	L381-Q398 VanDerWaalsContact CD1-CD 3.48Å; M394-Q398 HydrophobicContact CB-CB 4.49Å; D395-Q398 PolarHBondContact O-N 3.36Å; D395-Q398 WeakPolarHBondContact OD1-CG 3.44Å; D395-Q398 PolarHBondContact OD1-OE1 2.81Å; D395-Q398 WeakPolarHBondContact OD2-CG 3.28Å; D395-Q398 PolarHBondContact OD2-N 2.87Å; Q398-A401 PolarHBondContact O-N 3.49Å; Q398-L402 WeakPolarHBondContact O-CB 3.43Å; Q398-L402 PolarHBondContact O-N 3.19Å
399	R	85.9	Confident	80.9	Confident	108 Å²	108	54.2 Å²	54.2	41%	0.408	30%	0.298	S	S	.	.	H	α-helix	trans	-61.8	-46.9	176.6	-173.2	176	-64	124.8	12.5	110.7	M394 D395 A401 L402 D403	M394-R399 PolarHBondContact O-NH2 2.91Å; D395-R399 WeakPolarHBondContact O-CB 3.22Å; D395-R399 PolarHBondContact O-N 2.92Å; R399-A401 PolarHBondContact O-N 3.21Å; R399-L402 PolarHBondContact O-N 3.11Å; R399-D403 VanDerWaalsContact O-CG 3.31Å; R399-D403 PolarHBondContact O-N 2.91Å
400	Q	82.2	Confident	82.2	Confident	97 Å²	97	51.5 Å²	51.5	45%	0.453	28%	0.279	S	S	.	.	H	α-helix	trans	-62.1	-43.5	178.2	-173.8	173.7	2.9	0	0	112.1	S396 S397 L402 D403 D404	S396-Q400 VanDerWaalsContact O-CB 3.31Å; S396-Q400 WeakPolarHBondContact O-CB 2.75Å; S396-Q400 PolarHBondContact O-N 3.44Å; S397-Q400 PolarHBondContact O-N 2.85Å; Q400-L402 VanDerWaalsContact C-N 3.31Å; Q400-L402 PolarHBondContact O-N 3.34Å; Q400-D403 PolarHBondContact O-N 2.89Å; Q400-D404 WeakPolarHBondContact O-CB 3.41Å; Q400-D404 PolarHBondContact O-N 3.33Å
401	A	84.8	Confident	82.6	Confident	37 Å²	37	50.7 Å²	50.7	31%	0.306	27%	0.269	S	S	.	.	H	α-helix	trans	-60.1	-41.9	175.7	0	0	0	0	0	111.9	S397 Q398 R399 D404 I405	S397-A401 WeakPolarHBondContact O-CB 3.44Å; S397-A401 PolarHBondContact O-N 3.17Å; Q398-A401 PolarHBondContact O-N 3.49Å; R399-A401 PolarHBondContact O-N 3.21Å; A401-D404 PolarHBondContact O-N 3.41Å; A401-I405 WeakPolarHBondContact O-CD1 3.33Å; A401-I405 WeakPolarHBondContact O-CG1 3.43Å; A401-I405 PolarHBondContact O-N 2.82Å
402	L	88.5	Confident	82.6	Confident	8 Å²	8	51 Å²	51	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-66.3	-43.5	177.5	-169.7	63	0	0	0	111.8	L376 M394 Q398 R399 Q400 D404 I405 I406 I429 L446	L376-L402 HydrophobicContact CD1-CD2 4.41Å; M394-L402 HydrophobicContact CE-CD2 4.12Å; M394-L402 HydrophobicContact SD-CD2 4.02Å; Q398-L402 WeakPolarHBondContact O-CB 3.43Å; Q398-L402 PolarHBondContact O-N 3.19Å; R399-L402 PolarHBondContact O-N 3.11Å; Q400-L402 VanDerWaalsContact C-N 3.31Å; Q400-L402 PolarHBondContact O-N 3.34Å; L402-D404 VanDerWaalsContact C-N 3.33Å; L402-D404 PolarHBondContact O-N 2.75Å; L402-I405 PolarHBondContact O-N 2.79Å; L402-I406 WeakPolarHBondContact O-CG1 3.42Å; L402-I406 PolarHBondContact O-N 3.05Å; L402-I429 HydrophobicContact CD1-CD1 3.9Å; L402-I429 HydrophobicContact CD2-CD1 3.41Å; L402-I429 VanDerWaalsContact CD2-CD1 3.41Å; L402-I429 HydrophobicContact CG-CD1 3.58Å; L402-L446 HydrophobicContact CD1-CD1 4.05Å; L402-L446 HydrophobicContact CD1-CD2 4.18Å
403	D	85.8	Confident	82.8	Confident	66 Å²	66	51.4 Å²	51.4	35%	0.353	28%	0.284	S	S	.	.	H	α-helix	trans	-60.3	-43	175.8	-69.1	-25.5	0	0	0	111.2	R399 Q400 I405 I406 M407	R399-D403 VanDerWaalsContact O-CG 3.31Å; R399-D403 PolarHBondContact O-N 2.91Å; Q400-D403 PolarHBondContact O-N 2.89Å; D403-I405 PolarHBondContact O-N 3.44Å; D403-I406 PolarHBondContact O-N 3.1Å; D403-M407 VanDerWaalsContact O-CB 3.31Å; D403-M407 WeakPolarHBondContact O-CB 3.33Å; D403-M407 PolarHBondContact O-N 2.86Å
404	D	82.8	Confident	82.9	Confident	35 Å²	35	49.8 Å²	49.8	19%	0.187	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-36.9	176.3	-76.7	-25.7	0	0	0	112.7	H290 Q400 A401 L402 Q408	H290-D404 IonicContact CE1-OD1 3.41Å; H290-D404 PolarHBondContact CE1-OD1 2.87Å; H290-D404 IonicContact ND1-OD1 3.56Å; H290-D404 PolarHBondContact ND1-OD1 3.38Å; Q400-D404 WeakPolarHBondContact O-CB 3.41Å; Q400-D404 PolarHBondContact O-N 3.33Å; A401-D404 PolarHBondContact O-N 3.41Å; L402-D404 VanDerWaalsContact C-N 3.33Å; L402-D404 PolarHBondContact O-N 2.75Å; D404-Q408 VanDerWaalsContact O-CG 3.31Å; D404-Q408 WeakPolarHBondContact O-CG 3.44Å; D404-Q408 PolarHBondContact O-N 3.04Å; D404-Q408 VanDerWaalsContact O-N 3.11Å; D404-Q408 PolarHBondContact O-NE2 3.36Å
405	I	87.5	Confident	82.7	Confident	15 Å²	15	52.5 Å²	52.5	8%	0.077	29%	0.289	C	S	.	.	H	α-helix	trans	-66	-49.3	174.4	-72.1	163	0	0	0	110.5	A401 L402 D403 M407 Q408 V409 Y444 L446 L470	A401-I405 WeakPolarHBondContact O-CD1 3.33Å; A401-I405 WeakPolarHBondContact O-CG1 3.43Å; A401-I405 PolarHBondContact O-N 2.82Å; L402-I405 PolarHBondContact O-N 2.79Å; D403-I405 PolarHBondContact O-N 3.44Å; I405-M407 VanDerWaalsContact C-N 3.27Å; I405-M407 PolarHBondContact O-N 3.39Å; I405-Q408 PolarHBondContact O-N 3.11Å; I405-V409 HydrophobicContact CG2-CG2 4.44Å; I405-V409 WeakPolarHBondContact O-CG2 3.5Å; I405-V409 PolarHBondContact O-N 2.95Å; I405-Y444 HydrophobicContact CD1-CD1 4.42Å; I405-Y444 HydrophobicContact CD1-CD2 3.91Å; I405-Y444 HydrophobicContact CD1-CE1 3.91Å; I405-Y444 HydrophobicContact CD1-CE2 3.35Å; I405-Y444 HydrophobicContact CD1-CG 4.42Å; I405-L446 HydrophobicContact CG2-CD1 4.34Å; I405-L470 HydrophobicContact CG2-CD1 3.42Å; I405-L470 VanDerWaalsContact CG2-CD1 3.42Å
406	I	88.3	Confident	82.4	Confident	8 Å²	8	54.9 Å²	54.9	4%	0.041	30%	0.301	C	S	.	.	H	α-helix	trans	-57.9	-45.2	178.6	-69	-56	0	0	0	110.2	L402 D403 Q408 V409 M410 F426 I429 L446 L448	L402-I406 WeakPolarHBondContact O-CG1 3.42Å; L402-I406 PolarHBondContact O-N 3.05Å; D403-I406 PolarHBondContact O-N 3.1Å; I406-Q408 PolarHBondContact O-N 3.4Å; I406-V409 PolarHBondContact O-N 3.49Å; I406-M410 HydrophobicContact CG2-CG 4.22Å; I406-M410 VanDerWaalsContact O-CG 3.26Å; I406-M410 WeakPolarHBondContact O-CG 3.49Å; I406-M410 PolarHBondContact O-N 2.89Å; I406-F426 HydrophobicContact CD1-CE2 4.21Å; I406-F426 HydrophobicContact CG1-CE2 4.35Å; I406-F426 HydrophobicContact CG1-CZ 4.43Å; I406-F426 HydrophobicContact CG2-CB 4.18Å; I406-F426 HydrophobicContact CG2-CD1 3.87Å; I406-F426 HydrophobicContact CG2-CD2 3.55Å; I406-F426 HydrophobicContact CG2-CE1 4.08Å; I406-F426 HydrophobicContact CG2-CE2 3.78Å; I406-F426 HydrophobicContact CG2-CG 3.59Å; I406-F426 HydrophobicContact CG2-CZ 4.03Å; I406-I429 HydrophobicContact CD1-CD1 3.99Å; I406-I429 HydrophobicContact CD1-CG1 4.03Å; I406-I429 HydrophobicContact CG1-CD1 3.97Å; I406-I429 HydrophobicContact CG1-CG1 4.35Å; I406-L446 HydrophobicContact CD1-CD1 3.78Å; I406-L448 HydrophobicContact CD1-CD1 4.06Å; I406-L448 HydrophobicContact CD1-CD2 3.39Å; I406-L448 HydrophobicContact CD1-CG 4.39Å
407	M	82.4	Confident	82.1	Confident	11 Å²	11	50.8 Å²	50.8	5%	0.054	27%	0.273	C	S	.	.	H	α-helix	trans	-57.5	-48.4	177.7	-176.8	177.7	73	0	0	112.2	H290 H295 D403 I405 V409 M410 E411	H290-M407 HydrophobicContact CB-SD 4.26Å; H295-M407 VanDerWaalsContact CD2-SD 3.53Å; H295-M407 PolarHBondContact NE2-SD 3.4Å; D403-M407 VanDerWaalsContact O-CB 3.31Å; D403-M407 WeakPolarHBondContact O-CB 3.33Å; D403-M407 PolarHBondContact O-N 2.86Å; I405-M407 VanDerWaalsContact C-N 3.27Å; I405-M407 PolarHBondContact O-N 3.39Å; M407-V409 VanDerWaalsContact C-N 3.35Å; M407-V409 PolarHBondContact O-N 3.04Å; M407-M410 PolarHBondContact O-N 2.97Å; M407-E411 WeakPolarHBondContact O-CG 3.28Å; M407-E411 PolarHBondContact O-N 2.89Å
408	Q	82.3	Confident	81.3	Confident	71 Å²	71	50.7 Å²	50.7	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-59.6	-44.5	176.1	-73	172.9	51.5	0	0	112	R319 D404 I405 I406 M410 E411 M412	R319-Q408 VanDerWaalsContact NH1-CG 3.26Å; D404-Q408 VanDerWaalsContact O-CG 3.31Å; D404-Q408 WeakPolarHBondContact O-CG 3.44Å; D404-Q408 PolarHBondContact O-N 3.04Å; D404-Q408 VanDerWaalsContact O-N 3.11Å; D404-Q408 PolarHBondContact O-NE2 3.36Å; I405-Q408 PolarHBondContact O-N 3.11Å; I406-Q408 PolarHBondContact O-N 3.4Å; Q408-M410 VanDerWaalsContact C-N 3.3Å; Q408-M410 PolarHBondContact O-N 2.94Å; Q408-E411 PolarHBondContact O-N 3.19Å; Q408-M412 WeakPolarHBondContact O-CG 3.25Å; Q408-M412 PolarHBondContact O-N 3.05Å
409	V	86.7	Confident	80.4	Confident	13 Å²	13	54 Å²	54	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-59.8	-43.1	176.2	171	0	0	0	0	110.9	I405 I406 M407 E411 M412 I413 L448 L470	I405-V409 HydrophobicContact CG2-CG2 4.44Å; I405-V409 WeakPolarHBondContact O-CG2 3.5Å; I405-V409 PolarHBondContact O-N 2.95Å; I406-V409 PolarHBondContact O-N 3.49Å; M407-V409 VanDerWaalsContact C-N 3.35Å; M407-V409 PolarHBondContact O-N 3.04Å; V409-E411 PolarHBondContact O-N 3.05Å; V409-M412 PolarHBondContact O-N 3.25Å; V409-I413 HydrophobicContact CG1-CD1 3.64Å; V409-I413 HydrophobicContact CG1-CG1 4.3Å; V409-I413 WeakPolarHBondContact O-CB 3.05Å; V409-I413 VanDerWaalsContact O-CG1 3.24Å; V409-I413 WeakPolarHBondContact O-CG1 3.44Å; V409-I413 PolarHBondContact O-N 3.29Å; V409-L448 HydrophobicContact CG1-CD1 4.11Å; V409-L470 HydrophobicContact CG2-CD1 3.53Å; V409-L470 HydrophobicContact CG2-CD2 3.59Å; V409-L470 HydrophobicContact CG2-CG 4.22Å
410	M	84.4	Confident	79.6	Confident	16 Å²	16	56.7 Å²	56.7	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-66.8	-35.5	177.8	-67.8	-47.6	-59.1	0	0	112.6	I406 M407 Q408 I413 N414 I424 F426 L450	I406-M410 HydrophobicContact CG2-CG 4.22Å; I406-M410 VanDerWaalsContact O-CG 3.26Å; I406-M410 WeakPolarHBondContact O-CG 3.49Å; I406-M410 PolarHBondContact O-N 2.89Å; M407-M410 PolarHBondContact O-N 2.97Å; Q408-M410 VanDerWaalsContact C-N 3.3Å; Q408-M410 PolarHBondContact O-N 2.94Å; M410-I413 HydrophobicContact SD-CD1 4.31Å; M410-N414 VanDerWaalsContact O-CB 3.23Å; M410-N414 WeakPolarHBondContact O-CB 3.2Å; M410-N414 PolarHBondContact O-N 3.37Å; M410-N414 PolarHBondContact O-ND2 2.71Å; M410-I424 HydrophobicContact CE-CB 4.26Å; M410-I424 HydrophobicContact CE-CG2 3.97Å; M410-I424 WeakPolarHBondContact CE-O 3.35Å; M410-F426 HydrophobicContact CE-CB 4.39Å; M410-F426 HydrophobicContact CG-CB 3.87Å; M410-F426 HydrophobicContact SD-CB 3.95Å; M410-L450 HydrophobicContact CE-CD2 4.19Å; M410-L450 HydrophobicContact SD-CD2 3.63Å
411	E	79.1	Confident	79	Confident	58 Å²	58	52.5 Å²	52.5	27%	0.271	28%	0.279	S	S	.	.	H	α-helix	trans	-63.5	-47.2	172.7	-73.6	-176.2	153.9	0	0	111.3	H295 M407 Q408 V409 N414 A415	H295-E411 WeakPolarHBondContact CB-OE1 3.4Å; H295-E411 IonicContact CG-OE1 3.96Å; M407-E411 WeakPolarHBondContact O-CG 3.28Å; M407-E411 PolarHBondContact O-N 2.89Å; Q408-E411 PolarHBondContact O-N 3.19Å; V409-E411 PolarHBondContact O-N 3.05Å; E411-N414 PolarHBondContact O-N 3.27Å; E411-A415 PolarHBondContact O-N 2.98Å
412	M	79.6	Confident	78.7	Confident	148 Å²	148	54.4 Å²	54.4	73%	0.729	28%	0.278	S	S	*	.	H	α-helix	trans	-60.4	-47.7	176.3	-68.1	174	68.9	0	0	112	Q408 V409 N414 A415	Q408-M412 WeakPolarHBondContact O-CG 3.25Å; Q408-M412 PolarHBondContact O-N 3.05Å; V409-M412 PolarHBondContact O-N 3.25Å; M412-N414 VanDerWaalsContact C-N 3.28Å; M412-N414 PolarHBondContact O-N 3.02Å; M412-A415 WeakPolarHBondContact O-CB 3.29Å; M412-A415 PolarHBondContact O-N 3Å
413	I	82.6	Confident	78.2	Confident	63 Å²	63	55.5 Å²	55.5	32%	0.323	29%	0.285	S	S	.	.	H	α-helix	trans	-60.5	-40.3	177.8	-72.7	171.6	0	0	0	110.9	V409 M410 I424 L450	V409-I413 HydrophobicContact CG1-CD1 3.64Å; V409-I413 HydrophobicContact CG1-CG1 4.3Å; V409-I413 WeakPolarHBondContact O-CB 3.05Å; V409-I413 VanDerWaalsContact O-CG1 3.24Å; V409-I413 WeakPolarHBondContact O-CG1 3.44Å; V409-I413 PolarHBondContact O-N 3.29Å; M410-I413 HydrophobicContact SD-CD1 4.31Å; I413-I424 HydrophobicContact CG2-CB 4.2Å; I413-I424 HydrophobicContact CG2-CD1 3.65Å; I413-I424 HydrophobicContact CG2-CG1 4.41Å; I413-I424 HydrophobicContact CG2-CG2 4.38Å; I413-L450 HydrophobicContact CD1-CD1 4.15Å
414	N	79.6	Confident	78.1	Confident	11 Å²	11	54 Å²	54	6%	0.059	28%	0.277	C	S	.	.	H	α-helix	trans	-86.1	-8.1	-176.5	-77.1	-64.3	0	0	0	114.8	M410 E411 M412 N416 A417 I424	M410-N414 VanDerWaalsContact O-CB 3.23Å; M410-N414 WeakPolarHBondContact O-CB 3.2Å; M410-N414 PolarHBondContact O-N 3.37Å; M410-N414 PolarHBondContact O-ND2 2.71Å; E411-N414 PolarHBondContact O-N 3.27Å; M412-N414 VanDerWaalsContact C-N 3.28Å; M412-N414 PolarHBondContact O-N 3.02Å; N414-N416 PolarHBondContact O-N 2.97Å; N414-N416 VanDerWaalsContact O-N 3.12Å; N414-A417 HydrophobicContact CB-CB 4.4Å; N414-A417 PolarHBondContact O-N 2.8Å; N414-I424 PolarHBondContact ND2-O 2.8Å; N414-I424 PolarHBondContact OD1-N 2.79Å; N414-I424 PolarHBondContact OD1-O 3.44Å
415	A	77.7	Confident	78.2	Confident	69 Å²	69	54.6 Å²	54.6	57%	0.57	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-42.1	-177	0	0	0	0	0	112.3	E411 M412	E411-A415 PolarHBondContact O-N 2.98Å; M412-A415 WeakPolarHBondContact O-CB 3.29Å; M412-A415 PolarHBondContact O-N 3Å
416	N	71.6	Confident	78.3	Confident	107 Å²	107	57.4 Å²	57.4	57%	0.572	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	6	179.3	-67.3	-46.6	0	0	0	114.1	N414 T419 R420	N414-N416 PolarHBondContact O-N 2.97Å; N414-N416 VanDerWaalsContact O-N 3.12Å; N416-T419 PolarHBondContact O-OG1 3.06Å; N416-T419 VanDerWaalsContact O-OG1 3.05Å; N416-R420 WeakPolarHBondContact O-CG 3.32Å
417	A	69.8	Low	78.3	Confident	10 Å²	10	62.4 Å²	62.4	8%	0.083	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-36.6	-175.5	0	0	0	0	0	112	N414 R420 G421 R422	N414-A417 HydrophobicContact CB-CB 4.4Å; N414-A417 PolarHBondContact O-N 2.8Å; A417-R420 CarbonylContact O-C 3.52Å; A417-R420 WeakPolarHBondContact O-CA 3.38Å; A417-R420 PolarHBondContact O-N 3.37Å; A417-G421 PolarHBondContact O-N 2.61Å; A417-R422 CarbonylContact C-O 3.53Å; A417-R422 WeakPolarHBondContact CB-O 3.43Å; A417-R422 PolarHBondContact O-N 2.8Å; A417-R422 VanDerWaalsContact O-N 3.11Å
418	K	60.8	Low	78.7	Confident	76 Å²	76	66.2 Å²	66.2	33%	0.33	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-42.7	-177.5	-79.9	-170.8	170.6	-170.6	0	113.6	R296 R420 G421 R422	R296-K418 VanDerWaalsContact NH1-CE 3.29Å; K418-R420 PolarHBondContact O-N 2.87Å; K418-R420 VanDerWaalsContact O-N 3.07Å; K418-G421 PolarHBondContact O-N 2.99Å; K418-R422 PolarHBondContact N-O 2.83Å
419	T	65.7	Low	79.2	Confident	108 Å²	108	63.5 Å²	63.5	66%	0.663	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-28.7	174.2	56.1	0	0	0	0	111.3	N416	N416-T419 PolarHBondContact O-OG1 3.06Å; N416-T419 VanDerWaalsContact O-OG1 3.05Å
420	R	69.6	Low	79.5	Confident	164 Å²	164	66.7 Å²	66.7	62%	0.619	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	7.9	177.4	-55.1	179.3	178.7	179.1	-7	114.2	N416 A417 K418 R422	N416-R420 WeakPolarHBondContact O-CG 3.32Å; A417-R420 CarbonylContact O-C 3.52Å; A417-R420 WeakPolarHBondContact O-CA 3.38Å; A417-R420 PolarHBondContact O-N 3.37Å; K418-R420 PolarHBondContact O-N 2.87Å; K418-R420 VanDerWaalsContact O-N 3.07Å; R420-R422 VanDerWaalsContact CD-NH2 3.29Å; R420-R422 WeakPolarHBondContact O-CG 3.41Å; R420-R422 PolarHBondContact O-NE 3.26Å
421	G	69.4	Low	80	Confident	9 Å²	9	69.4 Å²	69.4	9%	0.093	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	29.8	175.5	0	0	0	0	0	115.6	A417 K418 H455 K456	A417-G421 PolarHBondContact O-N 2.61Å; K418-G421 PolarHBondContact O-N 2.99Å; G421-H455 PolarHBondContact O-N 3.45Å; G421-K456 PolarHBondContact O-N 2.84Å
422	R	78.8	Confident	80.7	Confident	77 Å²	77	66.7 Å²	66.7	29%	0.291	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.3	-169.1	-62.9	177.7	-82.4	175.3	-5.3	111.4	A417 K418 R420 Y452 K454	A417-R422 CarbonylContact C-O 3.53Å; A417-R422 WeakPolarHBondContact CB-O 3.43Å; A417-R422 PolarHBondContact O-N 2.8Å; A417-R422 VanDerWaalsContact O-N 3.11Å; K418-R422 PolarHBondContact N-O 2.83Å; R420-R422 VanDerWaalsContact CD-NH2 3.29Å; R420-R422 WeakPolarHBondContact O-CG 3.41Å; R420-R422 PolarHBondContact O-NE 3.26Å; R422-Y452 HydrophobicContact CB-CE2 4.43Å; R422-Y452 WeakPolarHBondContact CD-OH 3.37Å; R422-Y452 HydrophobicContact CG-CE2 4.43Å; R422-Y452 PolarHBondContact NH1-OH 2.9Å; R422-K454 HydrophobicContact CG-CG 4.41Å
423	V	78	Confident	81.5	Confident	31 Å²	31	64.1 Å²	64.1	19%	0.188	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	139.3	173.3	-178.7	0	0	0	0	108.5	K453	V423-K453 PolarHBondContact N-O 2.87Å; V423-K453 PolarHBondContact O-N 3.37Å
424	I	84.6	Confident	82	Confident	34 Å²	34	62.4 Å²	62.4	17%	0.174	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.9	175.6	-53.7	-179.1	0	0	0	107.4	M410 I413 N414 L450 L451 Y452	M410-I424 HydrophobicContact CE-CB 4.26Å; M410-I424 HydrophobicContact CE-CG2 3.97Å; M410-I424 WeakPolarHBondContact CE-O 3.35Å; I413-I424 HydrophobicContact CG2-CB 4.2Å; I413-I424 HydrophobicContact CG2-CD1 3.65Å; I413-I424 HydrophobicContact CG2-CG1 4.41Å; I413-I424 HydrophobicContact CG2-CG2 4.38Å; N414-I424 PolarHBondContact ND2-O 2.8Å; N414-I424 PolarHBondContact OD1-N 2.79Å; N414-I424 PolarHBondContact OD1-O 3.44Å; I424-L450 HydrophobicContact CG2-CB 3.82Å; I424-L450 HydrophobicContact CG2-CD1 3.95Å; I424-L450 HydrophobicContact CG2-CG 4.42Å; I424-L451 WeakPolarHBondContact CA-O 3.39Å; I424-Y452 HydrophobicContact CD1-CD2 4.25Å; I424-Y452 HydrophobicContact CG1-CD2 4.03Å
425	D	84.4	Confident	82.5	Confident	48 Å²	48	63.8 Å²	63.8	26%	0.257	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	148.8	177.3	-66.5	-26.6	0	0	0	110.4	L450 L451 K453	D425-L450 CarbonylContact O-C 3.41Å; D425-L450 VanDerWaalsContact O-CA 3.28Å; D425-L450 WeakPolarHBondContact O-CA 3.41Å; D425-L451 HydrophobicContact CB-CB 4.33Å; D425-L451 PolarHBondContact N-O 3.15Å; D425-L451 PolarHBondContact O-N 3.41Å; D425-K453 VanDerWaalsContact OD2-CD 3.32Å; D425-K453 WeakPolarHBondContact OD2-CD 3.5Å; D425-K453 WeakPolarHBondContact OD2-CE 3.46Å; D425-K453 IonicContact OD2-NZ 3.3Å; D425-K453 PolarHBondContact OD2-NZ 3.41Å
426	F	88.5	Confident	83.1	Confident	74 Å²	74	64.2 Å²	64.2	33%	0.325	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	139.8	170.5	170	-103.8	0	0	0	110	I406 M410 E428 I429 L448 L450	I406-F426 HydrophobicContact CD1-CE2 4.21Å; I406-F426 HydrophobicContact CG1-CE2 4.35Å; I406-F426 HydrophobicContact CG1-CZ 4.43Å; I406-F426 HydrophobicContact CG2-CB 4.18Å; I406-F426 HydrophobicContact CG2-CD1 3.87Å; I406-F426 HydrophobicContact CG2-CD2 3.55Å; I406-F426 HydrophobicContact CG2-CE1 4.08Å; I406-F426 HydrophobicContact CG2-CE2 3.78Å; I406-F426 HydrophobicContact CG2-CG 3.59Å; I406-F426 HydrophobicContact CG2-CZ 4.03Å; M410-F426 HydrophobicContact CE-CB 4.39Å; M410-F426 HydrophobicContact CG-CB 3.87Å; M410-F426 HydrophobicContact SD-CB 3.95Å; F426-E428 WeakPolarHBondContact CE2-O 3.42Å; F426-E428 VanDerWaalsContact CZ-C 3.4Å; F426-E428 VanDerWaalsContact CZ-CA 3.41Å; F426-I429 HydrophobicContact CE2-CG1 3.97Å; F426-I429 HydrophobicContact CZ-CG1 3.9Å; F426-L448 HydrophobicContact CE2-CD2 4.24Å; F426-L450 HydrophobicContact CB-CD2 4.42Å; F426-L450 HydrophobicContact CD2-CD2 4.13Å
427	K	89.5	Confident	83.9	Confident	112 Å²	112	59.1 Å²	59.1	49%	0.487	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-58.7	174.1	-177.6	172.3	169.2	-170.4	0	111.6	L449 L451	K427-L449 WeakPolarHBondContact CA-O 3.28Å; K427-L449 HydrophobicContact CB-CB 4.48Å; K427-L449 HydrophobicContact CB-CG 4.27Å; K427-L449 VanDerWaalsContact CB-O 3.29Å; K427-L449 WeakPolarHBondContact CB-O 3.47Å; K427-L449 HydrophobicContact CD-CD2 3.66Å; K427-L449 HydrophobicContact CD-CG 4.09Å; K427-L449 HydrophobicContact CG-CD2 4.28Å; K427-L449 PolarHBondContact N-O 3.1Å; K427-L451 HydrophobicContact CB-CD1 4.37Å; K427-L451 HydrophobicContact CB-CG 4.16Å; K427-L451 HydrophobicContact CD-CD1 4.34Å; K427-L451 HydrophobicContact CD-CD2 4.14Å; K427-L451 HydrophobicContact CD-CG 4.28Å
428	E	90.8	Very high	84.6	Confident	91 Å²	91	63.3 Å²	63.3	43%	0.425	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	161.7	179.9	63.5	-169.4	162.9	0	0	111.8	F426 L449	F426-E428 WeakPolarHBondContact CE2-O 3.42Å; F426-E428 VanDerWaalsContact CZ-C 3.4Å; F426-E428 VanDerWaalsContact CZ-CA 3.41Å; E428-L449 HydrophobicContact CG-CB 3.96Å; E428-L449 HydrophobicContact CG-CD2 4.1Å; E428-L449 PolarHBondContact N-O 3.49Å; E428-L449 PolarHBondContact O-N 3.39Å; E428-L449 WeakPolarHBondContact OE1-CD2 3.09Å
429	I	92.7	Very high	85.6	Confident	15 Å²	15	64.4 Å²	64.4	8%	0.077	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	116.1	164.3	-61.2	167.5	0	0	0	106.5	L376 L402 I406 F426 Y431 L448	L376-I429 HydrophobicContact CD1-CG2 4.06Å; L402-I429 HydrophobicContact CD1-CD1 3.9Å; L402-I429 HydrophobicContact CD2-CD1 3.41Å; L402-I429 VanDerWaalsContact CD2-CD1 3.41Å; L402-I429 HydrophobicContact CG-CD1 3.58Å; I406-I429 HydrophobicContact CD1-CD1 3.99Å; I406-I429 HydrophobicContact CD1-CG1 4.03Å; I406-I429 HydrophobicContact CG1-CD1 3.97Å; I406-I429 HydrophobicContact CG1-CG1 4.35Å; F426-I429 HydrophobicContact CE2-CG1 3.97Å; F426-I429 HydrophobicContact CZ-CG1 3.9Å; I429-Y431 WeakPolarHBondContact CG2-O 3.29Å; I429-L448 HydrophobicContact CG1-CD2 3.83Å
430	Q	91.9	Very high	86.5	Confident	79 Å²	79	61.5 Å²	61.5	37%	0.369	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	-52.1	175.2	-66.8	-158.4	-33.6	0	0	109.7	D447 L449	Q430-D447 PolarHBondContact N-O 3.48Å; Q430-D447 PolarHBondContact OE1-OD2 3.23Å; Q430-L449 HydrophobicContact CG-CB 4.22Å
431	Y	94.7	Very high	87.4	Confident	74 Å²	74	53.7 Å²	53.7	29%	0.29	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	174.4	170.4	61.3	-91.1	0	0	0	110.1	F375 L376 I429 Y433 D447 R465	F375-Y431 AromaticContact CE2-CD2 3.96Å; F375-Y431 HydrophobicContact CE2-CD2 3.96Å; F375-Y431 HydrophobicContact CE2-CG 4Å; F375-Y431 HydrophobicContact CZ-CG 4.4Å; L376-Y431 CarbonylContact O-C 3.58Å; L376-Y431 VanDerWaalsContact O-CA 3.31Å; L376-Y431 WeakPolarHBondContact O-CA 3.45Å; I429-Y431 WeakPolarHBondContact CG2-O 3.29Å; Y431-Y433 HydrophobicContact CD2-CE2 4.21Å; Y431-Y433 HydrophobicContact CE2-CE2 4.21Å; Y431-D447 HydrophobicContact CD1-CB 4.28Å; Y431-D447 HydrophobicContact CD2-CB 4.32Å; Y431-D447 HydrophobicContact CE1-CB 4.1Å; Y431-D447 WeakPolarHBondContact CE1-OD2 3.32Å; Y431-D447 HydrophobicContact CE2-CB 4.12Å; Y431-D447 HydrophobicContact CG-CB 4.39Å; Y431-D447 WeakPolarHBondContact O-CB 3.35Å; Y431-D447 PolarHBondContact O-N 3.33Å; Y431-R465 PolarHBondContact OH-NH2 2.89Å
432	G	95.5	Very high	88.5	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	-175.9	168.6	0	0	0	0	0	112.2	F375 L376 V445	F375-G432 WeakPolarHBondContact CD2-O 3.13Å; L376-G432 PolarHBondContact N-O 3.17Å; L376-G432 PolarHBondContact O-N 2.82Å; G432-V445 CarbonylContact C-O 3.55Å; G432-V445 WeakPolarHBondContact CA-O 3.36Å
433	Y	94.8	Very high	89.2	Confident	95 Å²	95	50.1 Å²	50.1	37%	0.373	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.8	172.2	-60	-91.4	0	0	0	107.9	W373 E374 F375 Y431 Y444 V445	W373-Y433 HydrophobicContact CB-CD1 4.22Å; E374-Y433 CarbonylContact O-C 3.12Å; E374-Y433 WeakPolarHBondContact O-CA 3.28Å; F375-Y433 HydrophobicContact CB-CD1 4.25Å; F375-Y433 HydrophobicContact CB-CE1 4.15Å; F375-Y433 HydrophobicContact CD2-CD1 4.21Å; F375-Y433 AromaticContact CD2-CE1 3.71Å; F375-Y433 HydrophobicContact CD2-CE1 3.71Å; F375-Y433 HydrophobicContact CD2-CE2 4.4Å; F375-Y433 AromaticContact CD2-CZ 3.81Å; F375-Y433 HydrophobicContact CG-CE1 4.41Å; Y431-Y433 HydrophobicContact CD2-CE2 4.21Å; Y431-Y433 HydrophobicContact CE2-CE2 4.21Å; Y433-Y444 CarbonylContact O-C 3.47Å; Y433-Y444 WeakPolarHBondContact O-CA 3.4Å; Y433-V445 HydrophobicContact CD2-CB 4.43Å; Y433-V445 PolarHBondContact N-O 3.16Å; Y433-V445 PolarHBondContact O-N 2.92Å
434	R	92.8	Very high	90	Very high	27 Å²	27	49.8 Å²	49.8	10%	0.102	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.7	170	74.8	-177.1	-142.6	-64.2	-7.4	111.1	W373 E374 L376 L381 R392 E443 Y444	W373-R434 VanDerWaalsContact CE3-C 3.47Å; E374-R434 HydrophobicContact CB-CG 4.12Å; E374-R434 PolarHBondContact N-O 2.95Å; E374-R434 PolarHBondContact O-N 3Å; E374-R434 IonicContact OE1-CZ 2.68Å; E374-R434 VanDerWaalsContact OE1-CZ 3.31Å; E374-R434 IonicContact OE1-NH1 3.9Å; E374-R434 PolarHBondContact OE1-NH1 2.96Å; E374-R434 IonicContact OE1-NH2 3.68Å; E374-R434 PolarHBondContact OE1-NH2 3.32Å; E374-R434 IonicContact OE2-CZ 3.76Å; E374-R434 IonicContact OE2-NE 3.92Å; E374-R434 IonicContact OE2-NH1 3.62Å; E374-R434 PolarHBondContact OE2-NH1 3.26Å; E374-R434 IonicContact OE2-NH2 2.7Å; E374-R434 PolarHBondContact OE2-NH2 2.91Å; L376-R434 HydrophobicContact CD2-CB 3.77Å; L376-R434 HydrophobicContact CD2-CG 3.95Å; L381-R434 VanDerWaalsContact CD1-CZ 3.48Å; R392-R434 VanDerWaalsContact NH2-NH2 3.18Å; R434-E443 VanDerWaalsContact CA-O 3.25Å; R434-E443 WeakPolarHBondContact CA-O 3.39Å; R434-Y444 HydrophobicContact CB-CD1 3.77Å; R434-Y444 HydrophobicContact CB-CE1 3.9Å
435	R	91.3	Very high	90.5	Very high	40 Å²	40	49.5 Å²	49.5	15%	0.151	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	160.3	163.7	66.7	-179.5	-178.9	-178.5	2	109.4	F359 E372 W373 E443	F359-R435 PolarHBondContact O-NH2 2.89Å; E372-R435 VanDerWaalsContact O-CB 3.28Å; E372-R435 WeakPolarHBondContact O-CB 3.38Å; W373-R435 HydrophobicContact CD2-CB 4.26Å; W373-R435 HydrophobicContact CD2-CG 3.95Å; W373-R435 VanDerWaalsContact CE2-CD 3.48Å; W373-R435 HydrophobicContact CE3-CB 4.07Å; W373-R435 HydrophobicContact CE3-CG 3.82Å; W373-R435 HydrophobicContact CH2-CG 3.98Å; W373-R435 HydrophobicContact CZ2-CG 4.08Å; W373-R435 VanDerWaalsContact CZ2-NE 3.25Å; W373-R435 HydrophobicContact CZ3-CB 4.47Å; W373-R435 HydrophobicContact CZ3-CG 3.85Å; R435-E443 HydrophobicContact CG-CB 4.04Å; R435-E443 IonicContact CZ-OE2 3.64Å; R435-E443 PolarHBondContact N-O 3.24Å; R435-E443 IonicContact NE-OE2 2.65Å; R435-E443 PolarHBondContact NE-OE2 3.43Å; R435-E443 IonicContact NH2-OE2 3.77Å; R435-E443 PolarHBondContact NH2-OE2 3.01Å; R435-E443 PolarHBondContact O-N 3.29Å
436	V	90.1	Very high	91	Very high	77 Å²	77	47.2 Å²	47.2	47%	0.467	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.4	175.9	-178.2	0	0	0	0	108.2	A442 F474	V436-A442 HydrophobicContact CG2-CB 4.36Å; V436-F474 HydrophobicContact CG1-CZ 4.06Å
437	N	88.6	Confident	91.4	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	117.5	169.2	-171.5	-60.4	0	0	0	109	F362 L371 L439 Y440 G441 F474	F362-N437 WeakPolarHBondContact CB-ND2 3.49Å; L371-N437 HydrophobicContact CD1-CB 4Å; L371-N437 WeakPolarHBondContact CD1-ND2 3.47Å; N437-L439 PolarHBondContact O-N 3.33Å; N437-L439 VanDerWaalsContact O-N 3.13Å; N437-L439 PolarHBondContact OD1-N 3.36Å; N437-Y440 PolarHBondContact O-N 2.69Å; N437-Y440 WeakPolarHBondContact OD1-CD2 3.08Å; N437-Y440 PolarHBondContact OD1-N 3.03Å; N437-Y440 VanDerWaalsContact OD1-N 3.13Å; N437-G441 WeakPolarHBondContact CA-O 3.39Å; N437-G441 WeakPolarHBondContact CB-O 3.49Å; N437-G441 PolarHBondContact N-O 3.42Å; N437-G441 PolarHBondContact O-N 2.92Å; N437-F474 WeakPolarHBondContact O-CE2 3.16Å
438	P	83.4	Confident	91.6	Very high	97 Å²	97	38.5 Å²	38.5	63%	0.63	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.7	-176.8	-25.8	34.8	0	0	0	114.6
439	L	81.7	Confident	91.7	Very high	100 Å²	100	35 Å²	35	52%	0.524	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-36.9	-178.4	-64.3	174	0	0	0	112.7	N437	N437-L439 PolarHBondContact O-N 3.33Å; N437-L439 VanDerWaalsContact O-N 3.13Å; N437-L439 PolarHBondContact OD1-N 3.36Å
440	Y	85.3	Confident	91.6	Very high	47 Å²	47	34.5 Å²	34.5	18%	0.184	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-26.3	-166.1	-60.7	-56.3	0	0	0	114.7	I355 R361 F362 N437 T473 F474	I355-Y440 HydrophobicContact CD1-CE1 3.9Å; R361-Y440 HydrophobicContact CB-CD2 3.61Å; R361-Y440 HydrophobicContact CB-CE2 3.57Å; R361-Y440 HydrophobicContact CB-CG 4.17Å; F362-Y440 HydrophobicContact CB-CD2 4.4Å; F362-Y440 HydrophobicContact CB-CE2 4.15Å; N437-Y440 PolarHBondContact O-N 2.69Å; N437-Y440 WeakPolarHBondContact OD1-CD2 3.08Å; N437-Y440 PolarHBondContact OD1-N 3.03Å; N437-Y440 VanDerWaalsContact OD1-N 3.13Å; Y440-T473 WeakPolarHBondContact O-CA 3.3Å; Y440-F474 PolarHBondContact O-N 2.86Å
441	G	89.4	Confident	91.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	127.6	-168.6	-179.1	0	0	0	0	0	115.1	N437 Q472	N437-G441 WeakPolarHBondContact CA-O 3.39Å; N437-G441 WeakPolarHBondContact CB-O 3.49Å; N437-G441 PolarHBondContact N-O 3.42Å; N437-G441 PolarHBondContact O-N 2.92Å; G441-Q472 CarbonylContact C-O 3.6Å; G441-Q472 VanDerWaalsContact CA-O 3.3Å; G441-Q472 WeakPolarHBondContact CA-O 3.48Å
442	A	91.8	Very high	91.1	Very high	10 Å²	10	31.9 Å²	31.9	8%	0.083	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	140.7	-178.4	0	0	0	0	0	111.6	V436 Y444 Q471 Q472	V436-A442 HydrophobicContact CG2-CB 4.36Å; A442-Y444 HydrophobicContact CB-CE2 3.65Å; A442-Q471 CarbonylContact O-C 3.57Å; A442-Q471 WeakPolarHBondContact O-CA 3.45Å; A442-Q472 PolarHBondContact N-O 2.65Å; A442-Q472 PolarHBondContact O-N 2.94Å
443	E	93.3	Very high	90.5	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139.4	-176.4	-68.3	177.3	178.6	0	0	110.4	F359 W373 R434 R435 Q471	F359-E443 HydrophobicContact CD1-CB 3.99Å; F359-E443 HydrophobicContact CD1-CG 3.82Å; F359-E443 WeakPolarHBondContact CD1-OE2 3.44Å; F359-E443 HydrophobicContact CE1-CB 3.8Å; F359-E443 HydrophobicContact CE1-CG 3.96Å; W373-E443 HydrophobicContact CH2-CB 3.86Å; W373-E443 HydrophobicContact CZ3-CB 4.23Å; R434-E443 VanDerWaalsContact CA-O 3.25Å; R434-E443 WeakPolarHBondContact CA-O 3.39Å; R435-E443 HydrophobicContact CG-CB 4.04Å; R435-E443 IonicContact CZ-OE2 3.64Å; R435-E443 PolarHBondContact N-O 3.24Å; R435-E443 IonicContact NE-OE2 2.65Å; R435-E443 PolarHBondContact NE-OE2 3.43Å; R435-E443 IonicContact NH2-OE2 3.77Å; R435-E443 PolarHBondContact NH2-OE2 3.01Å; R435-E443 PolarHBondContact O-N 3.29Å; E443-Q471 HydrophobicContact CG-CB 4.42Å; E443-Q471 HydrophobicContact CG-CG 3.91Å; E443-Q471 PolarHBondContact OE1-NE2 3.15Å
444	Y	94.1	Very high	89.7	Confident	24 Å²	24	34.8 Å²	34.8	9%	0.094	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	136.8	-176.5	-54.1	-96.7	0	0	0	111.5	I405 Y433 R434 A442 L446 L470	I405-Y444 HydrophobicContact CD1-CD1 4.42Å; I405-Y444 HydrophobicContact CD1-CD2 3.91Å; I405-Y444 HydrophobicContact CD1-CE1 3.91Å; I405-Y444 HydrophobicContact CD1-CE2 3.35Å; I405-Y444 HydrophobicContact CD1-CG 4.42Å; Y433-Y444 CarbonylContact O-C 3.47Å; Y433-Y444 WeakPolarHBondContact O-CA 3.4Å; R434-Y444 HydrophobicContact CB-CD1 3.77Å; R434-Y444 HydrophobicContact CB-CE1 3.9Å; A442-Y444 HydrophobicContact CB-CE2 3.65Å; Y444-L446 HydrophobicContact CD1-CD2 4.43Å; Y444-L470 PolarHBondContact N-O 3.35Å; Y444-L470 PolarHBondContact O-N 3.12Å
445	V	95.4	Very high	88.6	Confident	28 Å²	28	39 Å²	39	17%	0.17	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	104.3	164.9	-177.1	0	0	0	0	106.5	F359 W373 G432 Y433 Y469	F359-V445 HydrophobicContact CE2-CG2 4.09Å; F359-V445 HydrophobicContact CZ-CG2 4.22Å; W373-V445 HydrophobicContact CH2-CG2 3.83Å; W373-V445 HydrophobicContact CZ2-CG2 4.45Å; W373-V445 HydrophobicContact CZ3-CG2 4.03Å; G432-V445 CarbonylContact C-O 3.55Å; G432-V445 WeakPolarHBondContact CA-O 3.36Å; Y433-V445 HydrophobicContact CD2-CB 4.43Å; Y433-V445 PolarHBondContact N-O 3.16Å; Y433-V445 PolarHBondContact O-N 2.92Å; V445-Y469 HydrophobicContact CB-CD1 4.4Å; V445-Y469 HydrophobicContact CG1-CD1 3.86Å; V445-Y469 HydrophobicContact CG1-CE1 3.64Å; V445-Y469 HydrophobicContact CG2-CD1 3.99Å; V445-Y469 HydrophobicContact CG2-CE1 4.37Å
446	L	95.7	Very high	87.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.4	-173.8	-54.6	-179.9	0	0	0	110.6	L376 L402 I405 I406 Y444 L448 H467 A468 L470	L376-L446 HydrophobicContact CD1-CD2 4.12Å; L376-L446 HydrophobicContact CD2-CD2 4.35Å; L402-L446 HydrophobicContact CD1-CD1 4.05Å; L402-L446 HydrophobicContact CD1-CD2 4.18Å; I405-L446 HydrophobicContact CG2-CD1 4.34Å; I406-L446 HydrophobicContact CD1-CD1 3.78Å; Y444-L446 HydrophobicContact CD1-CD2 4.43Å; L446-L448 HydrophobicContact CB-CD2 3.72Å; L446-L448 HydrophobicContact CB-CG 4.21Å; L446-L448 HydrophobicContact CD1-CD2 4.37Å; L446-H467 CarbonylContact O-C 3.57Å; L446-H467 VanDerWaalsContact O-CA 3.32Å; L446-H467 WeakPolarHBondContact O-CA 3.33Å; L446-A468 HydrophobicContact CB-CB 4.44Å; L446-A468 PolarHBondContact N-O 3.45Å; L446-A468 PolarHBondContact O-N 2.97Å; L446-L470 HydrophobicContact CD1-CD1 3.8Å; L446-L470 HydrophobicContact CG-CD1 4.43Å
447	D	95.7	Very high	86.2	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	108.2	168.8	-177.8	20.9	0	0	0	109.9	Q430 Y431 R465 H467	Q430-D447 PolarHBondContact N-O 3.48Å; Q430-D447 PolarHBondContact OE1-OD2 3.23Å; Y431-D447 HydrophobicContact CD1-CB 4.28Å; Y431-D447 HydrophobicContact CD2-CB 4.32Å; Y431-D447 HydrophobicContact CE1-CB 4.1Å; Y431-D447 WeakPolarHBondContact CE1-OD2 3.32Å; Y431-D447 HydrophobicContact CE2-CB 4.12Å; Y431-D447 HydrophobicContact CG-CB 4.39Å; Y431-D447 WeakPolarHBondContact O-CB 3.35Å; Y431-D447 PolarHBondContact O-N 3.33Å; D447-R465 WeakPolarHBondContact OD1-CG 3.13Å; D447-R465 IonicContact OD1-CZ 3.14Å; D447-R465 IonicContact OD1-NE 3.11Å; D447-R465 PolarHBondContact OD1-NE 3.42Å; D447-R465 IonicContact OD2-CZ 2.75Å; D447-R465 IonicContact OD2-NE 3.19Å; D447-R465 PolarHBondContact OD2-NE 3.2Å; D447-R465 IonicContact OD2-NH2 2.69Å; D447-R465 PolarHBondContact OD2-NH2 3.49Å; D447-H467 IonicContact OD1-NE2 2.99Å
448	L	94.1	Very high	85.3	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.2	-170.6	-52	-176.2	0	0	0	110.2	I406 V409 F426 I429 L446 L450 R465 R466 A468	I406-L448 HydrophobicContact CD1-CD1 4.06Å; I406-L448 HydrophobicContact CD1-CD2 3.39Å; I406-L448 HydrophobicContact CD1-CG 4.39Å; V409-L448 HydrophobicContact CG1-CD1 4.11Å; F426-L448 HydrophobicContact CE2-CD2 4.24Å; I429-L448 HydrophobicContact CG1-CD2 3.83Å; L446-L448 HydrophobicContact CB-CD2 3.72Å; L446-L448 HydrophobicContact CB-CG 4.21Å; L446-L448 HydrophobicContact CD1-CD2 4.37Å; L448-L450 HydrophobicContact CB-CD2 3.94Å; L448-L450 HydrophobicContact CB-CG 4.26Å; L448-R465 CarbonylContact O-C 3.5Å; L448-R465 WeakPolarHBondContact O-CA 3.35Å; L448-R466 WeakPolarHBondContact CB-O 3.35Å; L448-R466 PolarHBondContact N-O 3.07Å; L448-R466 PolarHBondContact O-N 2.83Å; L448-A468 HydrophobicContact CD1-CB 3.98Å; L448-A468 HydrophobicContact CG-CB 4.46Å
449	L	93.4	Very high	84.7	Confident	18 Å²	18	53 Å²	53	9%	0.094	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	119	164.4	-174	60.8	0	0	0	108.9	K427 E428 Q430 P463	K427-L449 WeakPolarHBondContact CA-O 3.28Å; K427-L449 HydrophobicContact CB-CB 4.48Å; K427-L449 HydrophobicContact CB-CG 4.27Å; K427-L449 VanDerWaalsContact CB-O 3.29Å; K427-L449 WeakPolarHBondContact CB-O 3.47Å; K427-L449 HydrophobicContact CD-CD2 3.66Å; K427-L449 HydrophobicContact CD-CG 4.09Å; K427-L449 HydrophobicContact CG-CD2 4.28Å; K427-L449 PolarHBondContact N-O 3.1Å; E428-L449 HydrophobicContact CG-CB 3.96Å; E428-L449 HydrophobicContact CG-CD2 4.1Å; E428-L449 PolarHBondContact N-O 3.49Å; E428-L449 PolarHBondContact O-N 3.39Å; E428-L449 WeakPolarHBondContact OE1-CD2 3.09Å; Q430-L449 HydrophobicContact CG-CB 4.22Å; L449-P463 HydrophobicContact CD1-CB 4.19Å
450	L	91.4	Very high	84.7	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	156.4	-177.9	-52.1	-178.6	0	0	0	110.4	M410 I413 I424 D425 F426 L448 P463 V464 R466	M410-L450 HydrophobicContact CE-CD2 4.19Å; M410-L450 HydrophobicContact SD-CD2 3.63Å; I413-L450 HydrophobicContact CD1-CD1 4.15Å; I424-L450 HydrophobicContact CG2-CB 3.82Å; I424-L450 HydrophobicContact CG2-CD1 3.95Å; I424-L450 HydrophobicContact CG2-CG 4.42Å; D425-L450 CarbonylContact O-C 3.41Å; D425-L450 VanDerWaalsContact O-CA 3.28Å; D425-L450 WeakPolarHBondContact O-CA 3.41Å; F426-L450 HydrophobicContact CB-CD2 4.42Å; F426-L450 HydrophobicContact CD2-CD2 4.13Å; L448-L450 HydrophobicContact CB-CD2 3.94Å; L448-L450 HydrophobicContact CB-CG 4.26Å; L450-P463 CarbonylContact O-C 3.59Å; L450-P463 WeakPolarHBondContact O-CA 3.5Å; L450-V464 WeakPolarHBondContact CA-O 3.29Å; L450-V464 WeakPolarHBondContact CB-O 3.4Å; L450-V464 PolarHBondContact N-O 3.19Å; L450-V464 PolarHBondContact O-N 3.16Å; L450-R466 HydrophobicContact CD1-CB 4.03Å; L450-R466 HydrophobicContact CD1-CG 3.88Å
451	L	88.4	Confident	84.7	Confident	41 Å²	41	55.3 Å²	55.3	22%	0.215	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	111.4	174.3	-64.9	175.2	0	0	0	109.3	I424 D425 K427 T461 P463	I424-L451 WeakPolarHBondContact CA-O 3.39Å; D425-L451 HydrophobicContact CB-CB 4.33Å; D425-L451 PolarHBondContact N-O 3.15Å; D425-L451 PolarHBondContact O-N 3.41Å; K427-L451 HydrophobicContact CB-CD1 4.37Å; K427-L451 HydrophobicContact CB-CG 4.16Å; K427-L451 HydrophobicContact CD-CD1 4.34Å; K427-L451 HydrophobicContact CD-CD2 4.14Å; K427-L451 HydrophobicContact CD-CG 4.28Å; L451-T461 HydrophobicContact CB-CG2 4.41Å; L451-T461 HydrophobicContact CD2-CG2 4.43Å; L451-P463 HydrophobicContact CD2-CB 4.23Å
452	Y	86.1	Confident	84.7	Confident	57 Å²	57	58 Å²	58	22%	0.224	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	118.3	175.1	179.2	-89.3	0	0	0	110	R422 I424 K454 T461 V462	R422-Y452 HydrophobicContact CB-CE2 4.43Å; R422-Y452 WeakPolarHBondContact CD-OH 3.37Å; R422-Y452 HydrophobicContact CG-CE2 4.43Å; R422-Y452 PolarHBondContact NH1-OH 2.9Å; I424-Y452 HydrophobicContact CD1-CD2 4.25Å; I424-Y452 HydrophobicContact CG1-CD2 4.03Å; Y452-K454 HydrophobicContact CE1-CB 4.11Å; Y452-T461 CarbonylContact O-C 3.41Å; Y452-T461 VanDerWaalsContact O-CA 3.24Å; Y452-T461 WeakPolarHBondContact O-CA 3.24Å; Y452-V462 WeakPolarHBondContact CB-O 3.49Å; Y452-V462 PolarHBondContact N-O 3.04Å; Y452-V462 PolarHBondContact O-N 3.2Å
453	K	83.3	Confident	84.7	Confident	66 Å²	66	61.4 Å²	61.4	29%	0.287	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.9	178.3	-65.6	179.6	-179.1	168.9	0	110.2	V423 D425 M460 T461	V423-K453 PolarHBondContact N-O 2.87Å; V423-K453 PolarHBondContact O-N 3.37Å; D425-K453 VanDerWaalsContact OD2-CD 3.32Å; D425-K453 WeakPolarHBondContact OD2-CD 3.5Å; D425-K453 WeakPolarHBondContact OD2-CE 3.46Å; D425-K453 IonicContact OD2-NZ 3.3Å; D425-K453 PolarHBondContact OD2-NZ 3.41Å; K453-M460 WeakPolarHBondContact CA-O 3.43Å; K453-T461 HydrophobicContact CG-CG2 4.13Å
454	K	78.7	Confident	84.6	Confident	91 Å²	91	63.6 Å²	63.6	40%	0.396	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	123.1	174.5	-173.5	176.7	177.4	-177.6	0	109.5	R422 Y452 K456 T459 M460	R422-K454 HydrophobicContact CG-CG 4.41Å; Y452-K454 HydrophobicContact CE1-CB 4.11Å; K454-K456 WeakPolarHBondContact CE-O 3.35Å; K454-T459 WeakPolarHBondContact O-CA 3.39Å; K454-M460 PolarHBondContact N-O 3.33Å
455	H	68.9	Low	84.5	Confident	115 Å²	115	68.2 Å²	68.2	53%	0.532	36%	0.355	S	S	.	.			trans	-106.1	-21.3	-178.5	-64.1	-78.4	0	0	0	113.3	G421	G421-H455 PolarHBondContact O-N 3.45Å
456	K	61.6	Low	84.3	Confident	137 Å²	137	74.3 Å²	74.3	60%	0.596	38%	0.375	S	S	*	.	S	Bend	trans	-86.2	118.7	172.8	-73.3	-169.7	178.7	-179.4	0	111.1	G421 K454	G421-K456 PolarHBondContact O-N 2.84Å; K454-K456 WeakPolarHBondContact CE-O 3.35Å
457	G	70.1	Confident	84.2	Confident	70 Å²	70	78.8 Å²	78.8	72%	0.722	40%	0.396	S	S	*	.	S	Bend	trans	88.7	-141.9	-179.3	0	0	0	0	0	112.6	T459	G457-T459 PolarHBondContact O-N 3.23Å
458	K	69.3	Low	84	Confident	189 Å²	189	79.4 Å²	79.4	82%	0.822	40%	0.401	S	S	*	.	S	Bend	trans	-66.4	119.7	176.1	-166	173.7	-176.7	177.4	0	109.7	M460	K458-M460 PolarHBondContact O-N 3.44Å
459	T	71.3	Confident	84	Confident	114 Å²	114	86.4 Å²	86.4	70%	0.699	43%	0.428	S	S	*	.			trans	-59.6	129.6	175.7	47.8	0	0	0	0	109.5	K454 G457	K454-T459 WeakPolarHBondContact O-CA 3.39Å; G457-T459 PolarHBondContact O-N 3.23Å
460	M	81.4	Confident	83.9	Confident	108 Å²	108	87.3 Å²	87.3	53%	0.532	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	133.4	-178.3	-176.1	-170.9	-86.3	0	0	108.9	K453 K454 K458 V462	K453-M460 WeakPolarHBondContact CA-O 3.43Å; K454-M460 PolarHBondContact N-O 3.33Å; K458-M460 PolarHBondContact O-N 3.44Å; M460-V462 HydrophobicContact CG-CG2 3.64Å; M460-V462 HydrophobicContact SD-CG2 3.54Å; M460-V462 VanDerWaalsContact SD-CG2 3.54Å
461	T	86.5	Confident	83.8	Confident	87 Å²	87	88.7 Å²	88.7	53%	0.534	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120	172.8	-55.7	0	0	0	0	108.5	L451 Y452 K453	L451-T461 HydrophobicContact CB-CG2 4.41Å; L451-T461 HydrophobicContact CD2-CG2 4.43Å; Y452-T461 CarbonylContact O-C 3.41Å; Y452-T461 VanDerWaalsContact O-CA 3.24Å; Y452-T461 WeakPolarHBondContact O-CA 3.24Å; K453-T461 HydrophobicContact CG-CG2 4.13Å
462	V	89.3	Confident	83.8	Confident	55 Å²	55	91.6 Å²	91.6	33%	0.333	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.1	-178.9	-174.5	0	0	0	0	109.7	Y452 M460 V464	Y452-V462 WeakPolarHBondContact CB-O 3.49Å; Y452-V462 PolarHBondContact N-O 3.04Å; Y452-V462 PolarHBondContact O-N 3.2Å; M460-V462 HydrophobicContact CG-CG2 3.64Å; M460-V462 HydrophobicContact SD-CG2 3.54Å; M460-V462 VanDerWaalsContact SD-CG2 3.54Å; V462-V464 HydrophobicContact CG1-CG2 4.49Å
463	P	91.6	Very high	83.9	Confident	83 Å²	83	90 Å²	90	54%	0.539	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132.2	170.3	29.5	-32.4	0	0	0	110.3	L449 L450 L451	L449-P463 HydrophobicContact CD1-CB 4.19Å; L450-P463 CarbonylContact O-C 3.59Å; L450-P463 WeakPolarHBondContact O-CA 3.5Å; L451-P463 HydrophobicContact CD2-CB 4.23Å
464	V	90.5	Very high	84	Confident	46 Å²	46	91.6 Å²	91.6	28%	0.279	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	127.7	-179.7	-177.7	0	0	0	0	108.6	L450 V462 R466	L450-V464 WeakPolarHBondContact CA-O 3.29Å; L450-V464 WeakPolarHBondContact CB-O 3.4Å; L450-V464 PolarHBondContact N-O 3.19Å; L450-V464 PolarHBondContact O-N 3.16Å; V462-V464 HydrophobicContact CG1-CG2 4.49Å; V464-R466 HydrophobicContact CG1-CG 4.26Å
465	R	92.6	Very high	84.3	Confident	122 Å²	122	89 Å²	89	46%	0.46	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	135.6	174.5	-170.8	176	176.2	-164.1	-1.5	110.2	Y431 D447 L448	Y431-R465 PolarHBondContact OH-NH2 2.89Å; D447-R465 WeakPolarHBondContact OD1-CG 3.13Å; D447-R465 IonicContact OD1-CZ 3.14Å; D447-R465 IonicContact OD1-NE 3.11Å; D447-R465 PolarHBondContact OD1-NE 3.42Å; D447-R465 IonicContact OD2-CZ 2.75Å; D447-R465 IonicContact OD2-NE 3.19Å; D447-R465 PolarHBondContact OD2-NE 3.2Å; D447-R465 IonicContact OD2-NH2 2.69Å; D447-R465 PolarHBondContact OD2-NH2 3.49Å; L448-R465 CarbonylContact O-C 3.5Å; L448-R465 WeakPolarHBondContact O-CA 3.35Å
466	R	91.4	Very high	84.8	Confident	156 Å²	156	88.1 Å²	88.1	59%	0.589	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.6	131.6	179.1	-74.1	-63.1	-176.4	174.2	-3.3	111.4	L448 L450 V464	L448-R466 WeakPolarHBondContact CB-O 3.35Å; L448-R466 PolarHBondContact N-O 3.07Å; L448-R466 PolarHBondContact O-N 2.83Å; L450-R466 HydrophobicContact CD1-CB 4.03Å; L450-R466 HydrophobicContact CD1-CG 3.88Å; V464-R466 HydrophobicContact CG1-CG 4.26Å
467	H	92.9	Very high	85.6	Confident	94 Å²	94	88.1 Å²	88.1	44%	0.435	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	128.9	168	-63.1	94.4	0	0	0	109.7	L446 D447 Y469	L446-H467 CarbonylContact O-C 3.57Å; L446-H467 VanDerWaalsContact O-CA 3.32Å; L446-H467 WeakPolarHBondContact O-CA 3.33Å; D447-H467 IonicContact OD1-NE2 2.99Å; H467-Y469 HydrophobicContact CB-CE2 3.96Å
468	A	92.3	Very high	85.7	Confident	13 Å²	13	91.1 Å²	91.1	11%	0.107	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121.9	174.9	0	0	0	0	0	109.2	L446 L448 L470	L446-A468 HydrophobicContact CB-CB 4.44Å; L446-A468 PolarHBondContact N-O 3.45Å; L446-A468 PolarHBondContact O-N 2.97Å; L448-A468 HydrophobicContact CD1-CB 3.98Å; L448-A468 HydrophobicContact CG-CB 4.46Å; A468-L470 HydrophobicContact CB-CD1 4.14Å; A468-L470 HydrophobicContact CB-CD2 4.18Å; A468-L470 HydrophobicContact CB-CG 4.09Å
469	Y	93	Very high	85.8	Confident	150 Å²	150	91.5 Å²	91.5	59%	0.588	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	109.6	176.2	-58.7	-83.6	0	0	0	107.7	F359 V445 H467	F359-Y469 AromaticContact CE2-CD1 3.8Å; F359-Y469 HydrophobicContact CE2-CD1 3.8Å; F359-Y469 HydrophobicContact CE2-CG 4.28Å; F359-Y469 HydrophobicContact CZ-CD1 4.46Å; V445-Y469 HydrophobicContact CB-CD1 4.4Å; V445-Y469 HydrophobicContact CG1-CD1 3.86Å; V445-Y469 HydrophobicContact CG1-CE1 3.64Å; V445-Y469 HydrophobicContact CG2-CD1 3.99Å; V445-Y469 HydrophobicContact CG2-CE1 4.37Å; H467-Y469 HydrophobicContact CB-CE2 3.96Å
470	L	91.8	Very high	85.1	Confident	37 Å²	37	96.9 Å²	96.9	19%	0.194	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.7	-165.9	-49.3	169.3	0	0	0	109.7	F359 I405 V409 Y444 L446 A468	F359-L470 WeakPolarHBondContact CE1-O 3.17Å; I405-L470 HydrophobicContact CG2-CD1 3.42Å; I405-L470 VanDerWaalsContact CG2-CD1 3.42Å; V409-L470 HydrophobicContact CG2-CD1 3.53Å; V409-L470 HydrophobicContact CG2-CD2 3.59Å; V409-L470 HydrophobicContact CG2-CG 4.22Å; Y444-L470 PolarHBondContact N-O 3.35Å; Y444-L470 PolarHBondContact O-N 3.12Å; L446-L470 HydrophobicContact CD1-CD1 3.8Å; L446-L470 HydrophobicContact CG-CD1 4.43Å; A468-L470 HydrophobicContact CB-CD1 4.14Å; A468-L470 HydrophobicContact CB-CD2 4.18Å; A468-L470 HydrophobicContact CB-CG 4.09Å
471	Q	89.6	Confident	83.8	Confident	32 Å²	32	97.2 Å²	97.2	15%	0.15	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	120.2	171.6	-174.9	173.7	40.1	0	0	108.4	P357 S358 A442 E443 T473	P357-Q471 HydrophobicContact CB-CB 4.38Å; S358-Q471 PolarHBondContact O-NE2 3.18Å; S358-Q471 VanDerWaalsContact O-NE2 3.11Å; S358-Q471 PolarHBondContact O-OE1 2.8Å; A442-Q471 CarbonylContact O-C 3.57Å; A442-Q471 WeakPolarHBondContact O-CA 3.45Å; E443-Q471 HydrophobicContact CG-CB 4.42Å; E443-Q471 HydrophobicContact CG-CG 3.91Å; E443-Q471 PolarHBondContact OE1-NE2 3.15Å; Q471-T473 HydrophobicContact CG-CG2 4.21Å
472	Q	88.2	Confident	81.9	Confident	101 Å²	101	100.1 Å²	100.1	47%	0.472	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	96.9	172.7	-174.3	175.7	6.7	0	0	107.9	G441 A442	G441-Q472 CarbonylContact C-O 3.6Å; G441-Q472 VanDerWaalsContact CA-O 3.3Å; G441-Q472 WeakPolarHBondContact CA-O 3.48Å; A442-Q472 PolarHBondContact N-O 2.65Å; A442-Q472 PolarHBondContact O-N 2.94Å
473	T	87.8	Confident	80.1	Confident	25 Å²	25	103.5 Å²	103.5	15%	0.153	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	135.7	-178.2	45.9	0	0	0	0	111.4	I329 Y440 Q471	I329-T473 VanDerWaalsContact CD1-OG1 3.26Å; I329-T473 WeakPolarHBondContact CD1-OG1 3.31Å; Y440-T473 WeakPolarHBondContact O-CA 3.3Å; Q471-T473 HydrophobicContact CG-CG2 4.21Å
474	F	86.1	Confident	77.7	Confident	98 Å²	98	108.9 Å²	108.9	43%	0.43	50%	0.497	S	S	.	.			trans	-62.6	143.9	170.3	-66	-34.1	0	0	0	110.6	V436 N437 Y440	V436-F474 HydrophobicContact CG1-CZ 4.06Å; N437-F474 WeakPolarHBondContact O-CE2 3.16Å; Y440-F474 PolarHBondContact O-N 2.86Å
475	S	83.3	Confident	75.6	Confident	38 Å²	38	111.1 Å²	111.1	27%	0.266	51%	0.505	S	S	.	.			trans	-85.6	178.2	169.3	63.1	0	0	0	0	110.1	I477	S475-I477 PolarHBondContact O-N 3.47Å
476	Q	81.3	Confident	73.9	Confident	96 Å²	96	109.9 Å²	109.9	45%	0.449	51%	0.508	S	S	.	.			trans	-46.5	136.4	166.2	-170	-178.5	39.5	0	0	110.7	E349 L353 Q478	E349-Q476 VanDerWaalsContact OE1-CG 3.24Å; E349-Q476 WeakPolarHBondContact OE1-CG 3.49Å; E349-Q476 PolarHBondContact OE1-NE2 3.44Å; L353-Q476 HydrophobicContact CD1-CB 4.36Å; Q476-Q478 PolarHBondContact O-N 3.27Å
477	I	77.1	Confident	71.9	Confident	136 Å²	136	105.9 Å²	105.9	70%	0.697	51%	0.508	S	S	*	.			trans	-68.3	123	173.6	-61.9	174	0	0	0	107	S475 F479	S475-I477 PolarHBondContact O-N 3.47Å; I477-F479 HydrophobicContact CG2-CD2 4.32Å; I477-F479 HydrophobicContact CG2-CE1 4.36Å; I477-F479 HydrophobicContact CG2-CE2 3.68Å; I477-F479 HydrophobicContact CG2-CZ 3.71Å
478	Q	72.3	Confident	70	Confident	133 Å²	133	111.2 Å²	111.2	62%	0.621	52%	0.524	S	S	*	.			trans	-114.4	125.1	176.3	-67.6	-178.2	-31.2	0	0	108.2	Q476	Q476-Q478 PolarHBondContact O-N 3.27Å
479	F	72.4	Confident	68.2	Low	198 Å²	198	112.3 Å²	112.3	87%	0.868	53%	0.533	S	S	*	.			trans	-91.3	127.3	167.4	-59.5	-85.7	0	0	0	107	I477	I477-F479 HydrophobicContact CG2-CD2 4.32Å; I477-F479 HydrophobicContact CG2-CE1 4.36Å; I477-F479 HydrophobicContact CG2-CE2 3.68Å; I477-F479 HydrophobicContact CG2-CZ 3.71Å
480	R	55.5	Low	66.1	Low	226 Å²	226	108.4 Å²	108.4	85%	0.853	52%	0.522	S	S	*	.			trans	-119.8	121.6	171.7	-179.9	175.5	177.6	-177.4	-0.3	107
481	E	54.6	Low	64.2	Low	115 Å²	115	108.6 Å²	108.6	54%	0.537	53%	0.529	S	S	.	.			trans	-76.7	129.7	165.6	-150.6	162.3	-157.3	0	0	107.5	D483 M485	E481-D483 WeakPolarHBondContact CB-O 3.45Å; E481-D483 VanDerWaalsContact CG-O 3.26Å; E481-D483 WeakPolarHBondContact CG-O 3.17Å; E481-D483 PolarHBondContact O-N 2.91Å; E481-M485 VanDerWaalsContact OE1-CG 3.24Å; E481-M485 WeakPolarHBondContact OE1-CG 3.37Å
482	E	46.7	Very low	62.4	Low	148 Å²	148	109.7 Å²	109.7	69%	0.692	54%	0.54	S	S	*	.	S	Bend	trans	-67.1	-29	-179.6	-89.3	-173.8	152.7	0	0	111.2	K730	E482-K730 IonicContact OE1-NZ 2.9Å; E482-K730 PolarHBondContact OE1-NZ 3.38Å; E482-K730 IonicContact OE2-NZ 3.99Å; E482-K730 PolarHBondContact OE2-NZ 2.98Å
483	D	50.6	Low	60.6	Low	126 Å²	126	110.3 Å²	110.3	67%	0.674	54%	0.543	S	S	*	.	S	Bend	trans	-111.9	137.9	173.1	-60.9	-47	0	0	0	110	E481 M485	E481-D483 WeakPolarHBondContact CB-O 3.45Å; E481-D483 VanDerWaalsContact CG-O 3.26Å; E481-D483 WeakPolarHBondContact CG-O 3.17Å; E481-D483 PolarHBondContact O-N 2.91Å; D483-M485 PolarHBondContact O-N 3.39Å
484	E	42.7	Very low	58.9	Low	197 Å²	197	113.1 Å²	113.1	92%	0.921	56%	0.556	S	S	*	*			trans	-62.5	107.4	164.8	-84.5	-176.4	161.7	0	0	107.3	D486	E484-D486 PolarHBondContact O-N 3.02Å
485	M	45.8	Very low	57.3	Low	92 Å²	92	112.9 Å²	112.9	45%	0.453	56%	0.56	S	S	.	*			trans	-54.7	112.9	167.9	-107.3	-177.6	26.3	0	0	107.9	E481 D483 A487 L490	E481-M485 VanDerWaalsContact OE1-CG 3.24Å; E481-M485 WeakPolarHBondContact OE1-CG 3.37Å; D483-M485 PolarHBondContact O-N 3.39Å; M485-A487 VanDerWaalsContact C-N 3.34Å; M485-A487 PolarHBondContact O-N 3.05Å; M485-L490 HydrophobicContact CE-CB 4.18Å; M485-L490 HydrophobicContact CE-CD1 3.66Å; M485-L490 HydrophobicContact CE-CD2 3.22Å; M485-L490 HydrophobicContact CE-CG 3.82Å; M485-L490 HydrophobicContact SD-CD1 4.01Å
486	D	57.3	Low	55.7	Low	97 Å²	97	115.9 Å²	115.9	52%	0.519	57%	0.569	S	S	.	*			trans	-62.7	102	172.3	177.9	-2.9	0	0	0	107.1	E484 R488 A489 L490	E484-D486 PolarHBondContact O-N 3.02Å; D486-R488 PolarHBondContact O-N 3.47Å; D486-R488 VanDerWaalsContact OD1-CB 3.29Å; D486-R488 WeakPolarHBondContact OD1-CB 3.37Å; D486-R488 PolarHBondContact OD1-N 3.47Å; D486-A489 HydrophobicContact CB-CB 3.78Å; D486-A489 CarbonylContact O-C 3.57Å; D486-A489 WeakPolarHBondContact O-CA 3.42Å; D486-A489 WeakPolarHBondContact O-CB 3.45Å; D486-A489 PolarHBondContact O-N 2.97Å; D486-A489 PolarHBondContact OD1-N 3.49Å; D486-L490 PolarHBondContact O-N 3.47Å
487	A	48.7	Very low	53.9	Low	71 Å²	71	118 Å²	118	59%	0.587	58%	0.579	S	S	*	*	H	α-helix	trans	-57.1	-23.5	-177.9	0	0	0	0	0	111.9	M485 A491	M485-A487 VanDerWaalsContact C-N 3.34Å; M485-A487 PolarHBondContact O-N 3.05Å; A487-A491 WeakPolarHBondContact O-CB 3.41Å; A487-A491 PolarHBondContact O-N 3Å
488	R	53.3	Low	52.4	Low	207 Å²	207	113.5 Å²	113.5	78%	0.781	56%	0.56	S	S	*	*	H	α-helix	trans	-76.9	-40.1	173.3	-59.6	-179.8	-176.8	173.6	2.3	111.5	D486 S492	D486-R488 PolarHBondContact O-N 3.47Å; D486-R488 VanDerWaalsContact OD1-CB 3.29Å; D486-R488 WeakPolarHBondContact OD1-CB 3.37Å; D486-R488 PolarHBondContact OD1-N 3.47Å; R488-S492 VanDerWaalsContact O-CB 3.25Å; R488-S492 WeakPolarHBondContact O-CB 3.14Å; R488-S492 PolarHBondContact O-N 3.5Å; R488-S492 PolarHBondContact O-OG 2.75Å
489	A	53.5	Low	51.2	Low	36 Å²	36	112.8 Å²	112.8	30%	0.298	56%	0.56	S	S	.	*	H	α-helix	trans	-64.8	-46.6	173	0	0	0	0	0	111.1	D486 S492 H493	D486-A489 HydrophobicContact CB-CB 3.78Å; D486-A489 CarbonylContact O-C 3.57Å; D486-A489 WeakPolarHBondContact O-CA 3.42Å; D486-A489 WeakPolarHBondContact O-CB 3.45Å; D486-A489 PolarHBondContact O-N 2.97Å; D486-A489 PolarHBondContact OD1-N 3.49Å; A489-S492 WeakPolarHBondContact CA-OG 3.34Å; A489-S492 PolarHBondContact O-N 2.84Å; A489-S492 PolarHBondContact O-OG 3.42Å; A489-H493 PolarHBondContact O-CD2 2.99Å; A489-H493 PolarHBondContact O-N 2.74Å
490	L	49.9	Very low	49.8	Very low	68 Å²	68	107 Å²	107	36%	0.356	55%	0.545	S	S	.	.	H	α-helix	trans	-63.4	-46	174.8	-171.2	85.2	0	0	0	111.7	M485 D486 S492 H493 I494	M485-L490 HydrophobicContact CE-CB 4.18Å; M485-L490 HydrophobicContact CE-CD1 3.66Å; M485-L490 HydrophobicContact CE-CD2 3.22Å; M485-L490 HydrophobicContact CE-CG 3.82Å; M485-L490 HydrophobicContact SD-CD1 4.01Å; D486-L490 PolarHBondContact O-N 3.47Å; L490-S492 PolarHBondContact O-N 3.35Å; L490-H493 CarbonylContact O-C 3.57Å; L490-H493 PolarHBondContact O-N 2.86Å; L490-H493 VanDerWaalsContact O-N 3.12Å; L490-I494 HydrophobicContact CD1-CD1 4.48Å; L490-I494 HydrophobicContact CD2-CD1 3.66Å; L490-I494 HydrophobicContact CG-CD1 3.73Å; L490-I494 HydrophobicContact CG-CG1 4.23Å; L490-I494 WeakPolarHBondContact O-CB 3.3Å; L490-I494 WeakPolarHBondContact O-CG1 3.38Å; L490-I494 PolarHBondContact O-N 3.42Å
491	A	51.1	Low	49.4	Very low	41 Å²	41	100 Å²	100	34%	0.339	52%	0.524	S	S	.	.	H	α-helix	trans	-62.2	-34.7	176.2	0	0	0	0	0	111.5	A487 N495	A487-A491 WeakPolarHBondContact O-CB 3.41Å; A487-A491 PolarHBondContact O-N 3Å; A491-N495 WeakPolarHBondContact O-CB 3.49Å; A491-N495 PolarHBondContact O-N 2.94Å; A491-N495 PolarHBondContact O-ND2 3.39Å
492	S	52.4	Low	49.1	Very low	55 Å²	55	100.1 Å²	100.1	39%	0.385	54%	0.537	S	S	.	.	H	α-helix	trans	-67.7	-37.8	173.6	74.7	0	0	0	0	112.3	R488 A489 L490 Q496	R488-S492 VanDerWaalsContact O-CB 3.25Å; R488-S492 WeakPolarHBondContact O-CB 3.14Å; R488-S492 PolarHBondContact O-N 3.5Å; R488-S492 PolarHBondContact O-OG 2.75Å; A489-S492 WeakPolarHBondContact CA-OG 3.34Å; A489-S492 PolarHBondContact O-N 2.84Å; A489-S492 PolarHBondContact O-OG 3.42Å; L490-S492 PolarHBondContact O-N 3.35Å; S492-Q496 WeakPolarHBondContact O-CB 3.38Å; S492-Q496 VanDerWaalsContact O-CG 3.23Å; S492-Q496 WeakPolarHBondContact O-CG 3.45Å; S492-Q496 PolarHBondContact O-N 3.04Å
493	H	51	Low	49.1	Very low	113 Å²	113	100.3 Å²	100.3	52%	0.523	54%	0.536	S	S	.	.	H	α-helix	trans	-69.4	-43.1	174.5	-81.8	-61.9	0	0	0	112.8	A489 L490 Q496 E497	A489-H493 PolarHBondContact O-CD2 2.99Å; A489-H493 PolarHBondContact O-N 2.74Å; L490-H493 CarbonylContact O-C 3.57Å; L490-H493 PolarHBondContact O-N 2.86Å; L490-H493 VanDerWaalsContact O-N 3.12Å; H493-Q496 WeakPolarHBondContact O-CB 3.42Å; H493-Q496 PolarHBondContact O-N 3.33Å; H493-E497 PolarHBondContact O-N 3.31Å
494	I	51.9	Low	48.8	Very low	85 Å²	85	97.1 Å²	97.1	44%	0.436	52%	0.518	S	S	.	.	H	α-helix	trans	-66.9	-41.8	176.6	-68	170.7	0	0	0	110.5	L490 Q496 E497 S498	L490-I494 HydrophobicContact CD1-CD1 4.48Å; L490-I494 HydrophobicContact CD2-CD1 3.66Å; L490-I494 HydrophobicContact CG-CD1 3.73Å; L490-I494 HydrophobicContact CG-CG1 4.23Å; L490-I494 WeakPolarHBondContact O-CB 3.3Å; L490-I494 WeakPolarHBondContact O-CG1 3.38Å; L490-I494 PolarHBondContact O-N 3.42Å; I494-Q496 VanDerWaalsContact C-N 3.27Å; I494-Q496 PolarHBondContact O-N 3.38Å; I494-E497 PolarHBondContact O-N 3.21Å; I494-S498 WeakPolarHBondContact O-CB 3.15Å; I494-S498 PolarHBondContact O-N 3.3Å; I494-S498 PolarHBondContact O-OG 2.85Å
495	N	51.3	Low	49	Very low	93 Å²	93	90.9 Å²	90.9	50%	0.497	50%	0.496	S	S	.	.	H	α-helix	trans	-67.7	-28.3	175.9	-72.3	-32.9	0	0	0	111.9	A491	A491-N495 WeakPolarHBondContact O-CB 3.49Å; A491-N495 PolarHBondContact O-N 2.94Å; A491-N495 PolarHBondContact O-ND2 3.39Å
496	Q	50	Low	49	Very low	100 Å²	100	92.6 Å²	92.6	47%	0.467	51%	0.508	S	S	.	.	H	α-helix	trans	-72.2	-40.2	169.2	-80.3	172.7	-7.6	0	0	112.8	S492 H493 I494 S498	S492-Q496 WeakPolarHBondContact O-CB 3.38Å; S492-Q496 VanDerWaalsContact O-CG 3.23Å; S492-Q496 WeakPolarHBondContact O-CG 3.45Å; S492-Q496 PolarHBondContact O-N 3.04Å; H493-Q496 WeakPolarHBondContact O-CB 3.42Å; H493-Q496 PolarHBondContact O-N 3.33Å; I494-Q496 VanDerWaalsContact C-N 3.27Å; I494-Q496 PolarHBondContact O-N 3.38Å; Q496-S498 VanDerWaalsContact C-N 3.29Å; Q496-S498 PolarHBondContact O-N 3.14Å
497	E	44.1	Very low	48.4	Very low	141 Å²	141	92.5 Å²	92.5	66%	0.659	52%	0.515	S	S	*	.	H	α-helix	trans	-72	-21.4	175.7	-81.4	-170	164.6	0	0	113.1	H493 I494 D499 S500	H493-E497 PolarHBondContact O-N 3.31Å; I494-E497 PolarHBondContact O-N 3.21Å; E497-D499 PolarHBondContact O-N 3.18Å; E497-S500 VanDerWaalsContact O-CB 3.26Å; E497-S500 WeakPolarHBondContact O-CB 3.29Å; E497-S500 PolarHBondContact O-N 3.41Å; E497-S500 PolarHBondContact O-OG 3.22Å
498	S	45.9	Very low	48.4	Very low	42 Å²	42	93.2 Å²	93.2	29%	0.294	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-64.3	-21.7	177.7	-60.6	0	0	0	0	113.3	I494 Q496 S500 L501	I494-S498 WeakPolarHBondContact O-CB 3.15Å; I494-S498 PolarHBondContact O-N 3.3Å; I494-S498 PolarHBondContact O-OG 2.85Å; Q496-S498 VanDerWaalsContact C-N 3.29Å; Q496-S498 PolarHBondContact O-N 3.14Å; S498-S500 PolarHBondContact O-N 3.02Å; S498-L501 PolarHBondContact O-N 3.24Å
499	D	45.9	Very low	47.9	Very low	118 Å²	118	89.5 Å²	89.5	63%	0.631	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-70.1	-11.6	171.2	-77.3	-21	0	0	0	112.5	E497	E497-D499 PolarHBondContact O-N 3.18Å
500	S	44.1	Very low	47.5	Very low	77 Å²	77	96 Å²	96	54%	0.538	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-88.8	-7	177	78.7	0	0	0	0	114.7	E497 S498 S502	E497-S500 VanDerWaalsContact O-CB 3.26Å; E497-S500 WeakPolarHBondContact O-CB 3.29Å; E497-S500 PolarHBondContact O-N 3.41Å; E497-S500 PolarHBondContact O-OG 3.22Å; S498-S500 PolarHBondContact O-N 3.02Å; S500-S502 PolarHBondContact O-N 3.21Å
501	L	45.9	Very low	47.4	Very low	79 Å²	79	99.4 Å²	99.4	41%	0.414	54%	0.542	S	S	.	.			trans	-82.5	35.1	179.2	-61.5	-178.8	0	0	0	113.4	S498 F503 L504	S498-L501 PolarHBondContact O-N 3.24Å; L501-F503 HydrophobicContact CD2-CD1 4.28Å; L501-F503 HydrophobicContact CD2-CE1 3.32Å; L501-F503 HydrophobicContact CD2-CZ 3.66Å; L501-F503 PolarHBondContact O-N 2.99Å; L501-F503 VanDerWaalsContact O-N 3.1Å; L501-L504 HydrophobicContact CB-CD1 4.13Å; L501-L504 HydrophobicContact CB-CG 4.46Å; L501-L504 HydrophobicContact CD1-CD1 3.99Å; L501-L504 HydrophobicContact CD2-CD1 4.37Å; L501-L504 HydrophobicContact CG-CD1 4.4Å; L501-L504 PolarHBondContact O-N 2.67Å
502	S	48.6	Very low	46.9	Very low	117 Å²	117	102.1 Å²	102.1	82%	0.818	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-8.4	174.3	61.2	0	0	0	0	113.5	S500	S500-S502 PolarHBondContact O-N 3.21Å
503	F	46.1	Very low	46.1	Very low	152 Å²	152	104.8 Å²	104.8	67%	0.667	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-10.7	177.3	73.8	-94.2	0	0	0	114.8	L501	L501-F503 HydrophobicContact CD2-CD1 4.28Å; L501-F503 HydrophobicContact CD2-CE1 3.32Å; L501-F503 HydrophobicContact CD2-CZ 3.66Å; L501-F503 PolarHBondContact O-N 2.99Å; L501-F503 VanDerWaalsContact O-N 3.1Å
504	L	44.6	Very low	45.4	Very low	58 Å²	58	106.5 Å²	106.5	30%	0.304	58%	0.576	S	S	.	*	S	Bend	trans	-85.1	130.2	-180	-65.8	178.2	0	0	0	111.2	L501 L508	L501-L504 HydrophobicContact CB-CD1 4.13Å; L501-L504 HydrophobicContact CB-CG 4.46Å; L501-L504 HydrophobicContact CD1-CD1 3.99Å; L501-L504 HydrophobicContact CD2-CD1 4.37Å; L501-L504 HydrophobicContact CG-CD1 4.4Å; L501-L504 PolarHBondContact O-N 2.67Å; L504-L508 HydrophobicContact CB-CB 4.4Å; L504-L508 HydrophobicContact CD2-CD1 4.12Å
505	S	48.5	Very low	44.6	Very low	66 Å²	66	112.5 Å²	112.5	46%	0.462	60%	0.599	S	S	.	*			trans	-60.9	150.9	177.6	69.2	0	0	0	0	111.4	S507 L508	S505-S507 PolarHBondContact O-N 3.22Å; S505-L508 PolarHBondContact O-N 3.49Å
506	N	44.4	Very low	43.7	Very low	128 Å²	128	114.3 Å²	114.3	68%	0.684	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	-20.5	-176.5	-76.1	-25.4	0	0	0	114.1	K509	N506-K509 PolarHBondContact OD1-NZ 2.68Å; N506-K509 VanDerWaalsContact OD1-NZ 3.11Å
507	S	46	Very low	42.9	Very low	96 Å²	96	115.9 Å²	115.9	67%	0.671	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-30.2	176.6	-41	0	0	0	0	113.5	S505	S505-S507 PolarHBondContact O-N 3.22Å
508	L	47.3	Very low	42.4	Very low	86 Å²	86	115.1 Å²	115.1	45%	0.45	64%	0.635	S	S	.	*	G	3₁₀ helix	trans	-83	-15	-179.4	-81.7	153.2	0	0	0	113	L504 S505 M510 L511	L504-L508 HydrophobicContact CB-CB 4.4Å; L504-L508 HydrophobicContact CD2-CD1 4.12Å; S505-L508 PolarHBondContact O-N 3.49Å; L508-M510 PolarHBondContact O-N 3.49Å; L508-L511 PolarHBondContact O-N 3.35Å
509	K	42.8	Very low	41.8	Very low	128 Å²	128	118.4 Å²	118.4	56%	0.557	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-70	-16.7	175.1	-66.6	-180	-179.1	167.6	0	113.5	N506 L511	N506-K509 PolarHBondContact OD1-NZ 2.68Å; N506-K509 VanDerWaalsContact OD1-NZ 3.11Å; K509-L511 VanDerWaalsContact C-N 3.28Å; K509-L511 PolarHBondContact O-N 3.39Å
510	M	46.5	Very low	41.4	Very low	172 Å²	172	116.8 Å²	116.8	85%	0.847	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-80.2	-8.8	-179.9	-130.8	-100.9	-67.9	0	0	113.3	L508	L508-M510 PolarHBondContact O-N 3.49Å
511	L	47	Very low	40.8	Very low	141 Å²	141	120.5 Å²	120.5	74%	0.738	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-104.5	2.2	-175.4	-83	152.7	0	0	0	114.2	L508 K509	L508-L511 PolarHBondContact O-N 3.35Å; K509-L511 VanDerWaalsContact C-N 3.28Å; K509-L511 PolarHBondContact O-N 3.39Å
512	V	39.7	Very low	40.3	Very low	98 Å²	98	125.3 Å²	125.3	59%	0.594	70%	0.704	S	S	*	*			trans	-113.6	119.7	-177.3	-169.8	0	0	0	0	110.1	F514	V512-F514 VanDerWaalsContact C-N 3.31Å; V512-F514 HydrophobicContact CG1-CD2 4.41Å; V512-F514 PolarHBondContact O-N 3.4Å; V512-F514 VanDerWaalsContact O-N 3.15Å
513	P	36.2	Very low	39.8	Very low	111 Å²	111	126.1 Å²	126.1	72%	0.721	70%	0.695	S	S	*	*			trans	-86.4	24.8	-164.3	33.2	-34.3	0	0	0	115.6
514	F	36.8	Very low	39.4	Very low	148 Å²	148	130.4 Å²	130.4	65%	0.649	71%	0.707	S	S	*	*			trans	-120	118.1	-174.7	-62	-73	0	0	0	112.1	V512 L516	V512-F514 VanDerWaalsContact C-N 3.31Å; V512-F514 HydrophobicContact CG1-CD2 4.41Å; V512-F514 PolarHBondContact O-N 3.4Å; V512-F514 VanDerWaalsContact O-N 3.15Å; F514-L516 PolarHBondContact O-N 3.46Å
515	K	34.7	Very low	39.1	Very low	211 Å²	211	136.3 Å²	136.3	92%	0.917	73%	0.733	S	S	*	*			trans	-69.1	116.3	174.6	-82.4	179.7	172.4	178.5	0	109.9
516	L	33.6	Very low	39	Very low	131 Å²	131	139.3 Å²	139.3	69%	0.686	75%	0.751	S	S	*	*			trans	-73.8	122.6	170.8	-108.3	82.5	0	0	0	110.6	F514	F514-L516 PolarHBondContact O-N 3.46Å
517	T	32.1	Very low	39.7	Very low	133 Å²	133	142.5 Å²	142.5	82%	0.816	76%	0.759	S	S	*	*			trans	-113.3	120	160.3	48	0	0	0	0	108.3
518	S	33.8	Very low	41	Very low	125 Å²	125	142.3 Å²	142.3	87%	0.874	75%	0.747	S	S	*	*			trans	-76	123.6	-179.6	68.2	0	0	0	0	111
519	S	33.1	Very low	42.8	Very low	111 Å²	111	140.2 Å²	140.2	78%	0.776	74%	0.739	S	S	*	*			trans	-126.3	114.5	153.5	75.1	0	0	0	0	108.5	Q521	S519-Q521 PolarHBondContact O-N 2.99Å
520	G	36.7	Very low	45.3	Very low	84 Å²	84	137.4 Å²	137.4	87%	0.866	73%	0.727	S	S	*	*			trans	-64.1	113.6	178.5	0	0	0	0	0	111.6
521	Q	32	Very low	47.8	Very low	156 Å²	156	129.2 Å²	129.2	73%	0.729	69%	0.687	S	S	*	*			trans	-138.8	108.7	150.5	-79.9	-165.2	-20.6	0	0	107.4	S519 Q523	S519-Q521 PolarHBondContact O-N 2.99Å; Q521-Q523 PolarHBondContact O-N 3.15Å
522	D	35.6	Very low	50.2	Low	179 Å²	179	123 Å²	123	96%	0.957	65%	0.654	S	S	*	*			trans	-57.5	97.4	165.3	-94.4	-28.5	0	0	0	108.8
523	Q	37.3	Very low	53	Low	135 Å²	135	118.3 Å²	118.3	63%	0.631	63%	0.626	S	S	*	*			trans	-99.6	116.3	164	-70.1	-153.1	2.6	0	0	109.1	Q521 E525	Q521-Q523 PolarHBondContact O-N 3.15Å; Q523-E525 PolarHBondContact O-N 3.3Å
524	R	38.9	Very low	56	Low	242 Å²	242	113 Å²	113	91%	0.913	59%	0.592	S	S	*	*			trans	-55.1	130.5	175.4	-70.5	172	173	168.8	-2.2	110.1
525	E	37.4	Very low	58.9	Low	181 Å²	181	106 Å²	106	85%	0.846	56%	0.561	S	S	*	*			trans	-45.6	139.8	170.7	-69.6	179.9	159	0	0	111.6	Q523 K527	Q523-E525 PolarHBondContact O-N 3.3Å; E525-K527 PolarHBondContact O-N 2.9Å
526	P	47.2	Very low	61.9	Low	130 Å²	130	96.4 Å²	96.4	84%	0.844	52%	0.52	S	S	*	.			trans	-62.7	108.8	175.4	22.7	-28.6	0	0	0	109.6	E528	P526-E528 PolarHBondContact O-N 2.93Å
527	K	59.2	Low	64.7	Low	195 Å²	195	90.2 Å²	90.2	85%	0.848	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-60.5	121	-177.6	-150.1	173.8	-172.6	177.9	0	109.5	E525 S529	E525-K527 PolarHBondContact O-N 2.9Å; K527-S529 PolarHBondContact O-N 3.33Å
528	E	73.8	Confident	67.6	Low	91 Å²	91	85.6 Å²	85.6	43%	0.425	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-46.9	130.3	177.2	-172	-175.1	-160.1	0	0	110.4	P526 K530 N561 R642	P526-E528 PolarHBondContact O-N 2.93Å; E528-K530 PolarHBondContact O-N 3.13Å; E528-N561 PolarHBondContact O-ND2 2.84Å; E528-R642 VanDerWaalsContact CD-CZ 3.4Å; E528-R642 IonicContact OE1-CZ 2.72Å; E528-R642 IonicContact OE1-NE 2.74Å; E528-R642 PolarHBondContact OE1-NE 2.96Å; E528-R642 IonicContact OE1-NH1 3.34Å; E528-R642 PolarHBondContact OE1-NH1 3.39Å; E528-R642 IonicContact OE1-NH2 2.7Å; E528-R642 IonicContact OE2-CZ 3.44Å; E528-R642 IonicContact OE2-NH2 3.16Å
529	S	85.4	Confident	70.1	Confident	42 Å²	42	80 Å²	80	29%	0.294	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-62.6	133.9	-176.6	58.3	0	0	0	0	111.2	K527 V531 R642	K527-S529 PolarHBondContact O-N 3.33Å; S529-V531 PolarHBondContact O-N 2.84Å; S529-R642 WeakPolarHBondContact O-CD 3.4Å; S529-R642 PolarHBondContact O-NE 2.84Å
530	K	95.4	Very high	72.7	Confident	69 Å²	69	79.9 Å²	79.9	30%	0.3	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-73.5	124.6	-178.5	-168.7	172	-157.4	175.2	0	110.5	E528 N532 N561 V562 D595	E528-K530 PolarHBondContact O-N 3.13Å; K530-N532 PolarHBondContact O-ND2 2.96Å; K530-N561 WeakPolarHBondContact CA-O 3.39Å; K530-N561 WeakPolarHBondContact CG-OD1 3.5Å; K530-V562 VanDerWaalsContact CE-C 3.44Å; K530-V562 VanDerWaalsContact CE-O 3.22Å; K530-V562 WeakPolarHBondContact CE-O 3.41Å; K530-D595 IonicContact NZ-OD2 3.33Å; K530-D595 PolarHBondContact NZ-OD2 3.42Å
531	V	97.9	Very high	75.4	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	121.8	173.5	-179.4	0	0	0	0	109.1	S529 I533 N561 V562 K563 L623 F625 L638 R642	S529-V531 PolarHBondContact O-N 2.84Å; V531-I533 HydrophobicContact CG1-CG1 4.26Å; V531-N561 PolarHBondContact N-O 3.46Å; V531-V562 HydrophobicContact CB-CG1 4.29Å; V531-V562 CarbonylContact O-C 3.51Å; V531-V562 VanDerWaalsContact O-CA 3.24Å; V531-V562 WeakPolarHBondContact O-CA 3.5Å; V531-K563 PolarHBondContact O-N 2.8Å; V531-L623 HydrophobicContact CG2-CD2 3.92Å; V531-F625 HydrophobicContact CG1-CB 3.71Å; V531-L638 HydrophobicContact CG1-CD2 4.19Å; V531-R642 HydrophobicContact CG2-CG 3.68Å
532	N	98.4	Very high	78.2	Confident	10 Å²	10	77.2 Å²	77.2	5%	0.053	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	105.7	178.9	-53.9	-79.8	0	0	0	109.1	K530 L534 K563 F618 L623 L624 F625	K530-N532 PolarHBondContact O-ND2 2.96Å; N532-L534 HydrophobicContact CB-CD1 4.26Å; N532-L534 WeakPolarHBondContact O-CD1 3.36Å; N532-K563 CarbonylContact C-O 3.58Å; N532-F618 HydrophobicContact CB-CD1 4.02Å; N532-F618 HydrophobicContact CB-CE1 3.49Å; N532-F618 VanDerWaalsContact CB-CE1 3.49Å; N532-F618 HydrophobicContact CB-CE2 4.39Å; N532-F618 HydrophobicContact CB-CZ 3.7Å; N532-F618 WeakPolarHBondContact OD1-CE1 3.36Å; N532-L623 WeakPolarHBondContact CB-O 3.15Å; N532-L623 PolarHBondContact N-O 2.91Å; N532-L623 PolarHBondContact ND2-O 3.49Å; N532-L624 HydrophobicContact CB-CD2 3.99Å; N532-L624 CarbonylContact O-C 3.58Å; N532-L624 WeakPolarHBondContact O-CA 3.43Å; N532-F625 PolarHBondContact O-N 2.97Å
533	I	98.5	Very high	81	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	115.2	-176.6	-46.8	-173.8	0	0	0	108.7	V531 V535 F551 K563 V564 L565 F625 C627 F633 L638	V531-I533 HydrophobicContact CG1-CG1 4.26Å; I533-V535 HydrophobicContact CG2-CG2 3.94Å; I533-F551 HydrophobicContact CD1-CD2 4.36Å; I533-F551 HydrophobicContact CD1-CE2 4.07Å; I533-K563 PolarHBondContact N-O 3.44Å; I533-V564 HydrophobicContact CB-CG2 4.35Å; I533-V564 WeakPolarHBondContact O-CA 3.46Å; I533-L565 PolarHBondContact O-N 3.17Å; I533-F625 WeakPolarHBondContact CA-O 3.37Å; I533-F625 HydrophobicContact CB-CD1 4.3Å; I533-F625 HydrophobicContact CD1-CD1 4.29Å; I533-F625 HydrophobicContact CG1-CD1 3.97Å; I533-F625 HydrophobicContact CG2-CD1 3.78Å; I533-F625 HydrophobicContact CG2-CE1 4.18Å; I533-C627 HydrophobicContact CG2-CB 3.68Å; I533-F633 HydrophobicContact CD1-CE2 4.35Å; I533-F633 HydrophobicContact CD1-CZ 3.98Å; I533-L638 HydrophobicContact CD1-CD2 4.32Å
534	L	98.5	Very high	83.8	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.5	177.8	-74.5	72.5	0	0	0	109	N532 L565 L567 L611 G614 F618 L624 F625 Y626 C627	N532-L534 HydrophobicContact CB-CD1 4.26Å; N532-L534 WeakPolarHBondContact O-CD1 3.36Å; L534-L565 HydrophobicContact CG-CD2 4.37Å; L534-L567 HydrophobicContact CB-CD1 4.26Å; L534-L567 HydrophobicContact CD2-CD1 4.45Å; L534-L611 HydrophobicContact CB-CD2 4.05Å; L534-G614 VanDerWaalsContact CD2-C 3.45Å; L534-F618 HydrophobicContact CD1-CD2 4.42Å; L534-F618 HydrophobicContact CD1-CE2 3.78Å; L534-F618 HydrophobicContact CD1-CZ 4.29Å; L534-F618 HydrophobicContact CD2-CE2 4.29Å; L534-F618 HydrophobicContact CG-CE2 4.2Å; L534-L624 HydrophobicContact CD1-CB 4.38Å; L534-L624 HydrophobicContact CD1-CD2 4.14Å; L534-F625 PolarHBondContact N-O 3.03Å; L534-Y626 HydrophobicContact CB-CD1 4.19Å; L534-Y626 HydrophobicContact CD2-CD1 4.42Å; L534-Y626 HydrophobicContact CD2-CE1 4.06Å; L534-C627 PolarHBondContact O-N 3.14Å
535	V	97.9	Very high	86.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	105	-175.3	-171	0	0	0	0	110.3	I533 F547 V564 L565 I566 L567 C627 V629	I533-V535 HydrophobicContact CG2-CG2 3.94Å; V535-F547 HydrophobicContact CG2-CE1 4.13Å; V535-F547 HydrophobicContact CG2-CE2 4.1Å; V535-F547 HydrophobicContact CG2-CZ 3.57Å; V535-V564 HydrophobicContact CG2-CG2 4.31Å; V535-L565 PolarHBondContact N-O 3Å; V535-I566 HydrophobicContact CB-CD1 3.77Å; V535-I566 HydrophobicContact CG1-CD1 4.36Å; V535-I566 HydrophobicContact CG2-CD1 4.03Å; V535-L567 PolarHBondContact O-N 3.36Å; V535-C627 WeakPolarHBondContact CA-O 3.08Å; V535-C627 HydrophobicContact CG2-CB 4.23Å; V535-V629 HydrophobicContact CG1-CB 3.9Å; V535-V629 HydrophobicContact CG1-CG2 4.38Å
536	P	96.3	Very high	89.3	Confident	10 Å²	10	49.9 Å²	49.9	7%	0.065	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	129.6	168.3	-20.5	34.8	0	0	0	110.8	F605 R607 A610 L611	P536-F605 HydrophobicContact CB-CE2 4.08Å; P536-F605 HydrophobicContact CB-CZ 4.48Å; P536-R607 HydrophobicContact CG-CG 4.27Å; P536-A610 HydrophobicContact CB-CB 3.76Å; P536-A610 HydrophobicContact CG-CB 3.89Å; P536-L611 HydrophobicContact CG-CD1 4.47Å; P536-L611 HydrophobicContact CG-CD2 3.55Å; P536-L611 HydrophobicContact CG-CG 3.77Å
537	L	94.3	Very high	91.7	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	125.6	-177.5	-174.6	60	0	0	0	111.4	G539 F544 I566 L567 L568 F569 Q580 V629	L537-G539 WeakPolarHBondContact CD1-O 3.49Å; L537-F544 HydrophobicContact CD1-CB 4.34Å; L537-F544 HydrophobicContact CD2-CB 4.28Å; L537-F544 HydrophobicContact CD2-CD1 4.1Å; L537-F544 HydrophobicContact CD2-CD2 3.77Å; L537-F544 HydrophobicContact CD2-CE1 4.39Å; L537-F544 HydrophobicContact CD2-CE2 4.1Å; L537-F544 HydrophobicContact CD2-CG 3.78Å; L537-F544 HydrophobicContact CD2-CZ 4.38Å; L537-I566 HydrophobicContact CB-CG2 3.98Å; L537-I566 HydrophobicContact CD2-CG2 3.76Å; L537-L567 PolarHBondContact N-O 3.02Å; L537-L568 HydrophobicContact CB-CD1 4.39Å; L537-L568 HydrophobicContact CD2-CD1 4.16Å; L537-L568 HydrophobicContact CG-CD1 4.17Å; L537-L568 WeakPolarHBondContact O-CA 3.26Å; L537-F569 PolarHBondContact O-N 2.98Å; L537-Q580 HydrophobicContact CD2-CG 4.22Å; L537-V629 HydrophobicContact CD1-CB 4.3Å; L537-V629 HydrophobicContact CD1-CG1 4.19Å; L537-V629 HydrophobicContact CD1-CG2 4.02Å
538	S	91	Very high	93.5	Very high	36 Å²	36	34.4 Å²	34.4	25%	0.252	17%	0.17	S	C	.	.	S	Bend	trans	-140.3	121.5	168	-177.3	0	0	0	0	108.7	F605	S538-F605 VanDerWaalsContact CB-CD2 3.42Å
539	G	87.1	Confident	94.7	Very high	7 Å²	7	32.3 Å²	32.3	7%	0.072	17%	0.168	C	C	.	.	S	Bend	trans	51.5	-146	-169.2	0	0	0	0	0	113.6	L537 E576 Q580	L537-G539 WeakPolarHBondContact CD1-O 3.49Å; G539-E576 WeakPolarHBondContact CA-OE2 3.37Å; G539-Q580 PolarHBondContact O-NE2 3.32Å
540	R	88.4	Confident	95.2	Very high	108 Å²	108	31.2 Å²	31.2	41%	0.408	16%	0.159	S	C	.	.			trans	63	40.4	172.8	-57.8	-179.1	172.9	-158.5	2.9	114.6	D542 I543 F544 E576 D630 H744	R540-D542 VanDerWaalsContact C-N 3.33Å; R540-D542 PolarHBondContact O-N 3.24Å; R540-I543 HydrophobicContact CB-CB 4.21Å; R540-I543 HydrophobicContact CB-CD1 4.16Å; R540-I543 HydrophobicContact CB-CG1 4.45Å; R540-I543 HydrophobicContact CG-CD1 4.23Å; R540-I543 PolarHBondContact O-N 2.88Å; R540-I543 VanDerWaalsContact O-N 3.09Å; R540-F544 PolarHBondContact O-N 3.19Å; R540-E576 PolarHBondContact N-OE2 3.43Å; R540-D630 IonicContact NH1-OD2 3.61Å; R540-D630 PolarHBondContact NH1-OD2 2.9Å; R540-H744 PolarHBondContact NH2-CE1 3.32Å
541	Y	92.3	Very high	95.4	Very high	53 Å²	53	28 Å²	28	21%	0.208	15%	0.145	C	C	.	.	H	α-helix	trans	-49.8	-46.6	-178.5	178.6	-108.2	0	0	0	114.1	I543 F544 V545 K579 Q580 L583	Y541-I543 VanDerWaalsContact C-N 3.3Å; Y541-I543 PolarHBondContact O-N 3.42Å; Y541-F544 WeakPolarHBondContact O-CA 3.39Å; Y541-F544 WeakPolarHBondContact O-CB 3.43Å; Y541-F544 PolarHBondContact O-N 3.05Å; Y541-V545 HydrophobicContact CD1-CG2 4.23Å; Y541-V545 HydrophobicContact CD2-CG2 4.47Å; Y541-V545 HydrophobicContact CE1-CG2 3.76Å; Y541-V545 HydrophobicContact CE2-CG2 4.01Å; Y541-V545 WeakPolarHBondContact O-CG2 3.38Å; Y541-V545 PolarHBondContact O-N 3.23Å; Y541-K579 HydrophobicContact CD1-CD 4.21Å; Y541-K579 HydrophobicContact CD2-CB 3.66Å; Y541-K579 HydrophobicContact CE1-CB 4.4Å; Y541-K579 HydrophobicContact CE1-CD 4.26Å; Y541-K579 HydrophobicContact CE2-CB 3.51Å; Y541-K579 WeakPolarHBondContact CE2-O 3.16Å; Y541-K579 HydrophobicContact CG-CB 4.18Å; Y541-K579 HydrophobicContact CG-CD 4.41Å; Y541-Q580 HydrophobicContact CD2-CG 3.86Å; Y541-L583 HydrophobicContact CE2-CB 4.29Å; Y541-L583 HydrophobicContact CE2-CD2 4.24Å
542	D	92.2	Very high	95.4	Very high	132 Å²	132	29.5 Å²	29.5	71%	0.706	15%	0.152	S	C	*	.	H	α-helix	trans	-64.3	-34.7	-177.8	-58.2	-36.4	0	0	0	112.9	R540 F544 V545 R546	R540-D542 VanDerWaalsContact C-N 3.33Å; R540-D542 PolarHBondContact O-N 3.24Å; D542-F544 VanDerWaalsContact C-N 3.35Å; D542-V545 PolarHBondContact O-N 2.83Å; D542-R546 PolarHBondContact O-N 2.92Å
543	I	93.4	Very high	95.3	Very high	29 Å²	29	36.5 Å²	36.5	15%	0.149	18%	0.182	C	C	.	.	H	α-helix	trans	-69.7	-38.9	175.5	-59.7	176.3	0	0	0	109.5	R540 Y541 R546 F547 V629 D630 H744	R540-I543 HydrophobicContact CB-CB 4.21Å; R540-I543 HydrophobicContact CB-CD1 4.16Å; R540-I543 HydrophobicContact CB-CG1 4.45Å; R540-I543 HydrophobicContact CG-CD1 4.23Å; R540-I543 PolarHBondContact O-N 2.88Å; R540-I543 VanDerWaalsContact O-N 3.09Å; Y541-I543 VanDerWaalsContact C-N 3.3Å; Y541-I543 PolarHBondContact O-N 3.42Å; I543-R546 WeakPolarHBondContact O-CB 3.4Å; I543-R546 PolarHBondContact O-N 3.35Å; I543-F547 PolarHBondContact O-N 3.4Å; I543-V629 HydrophobicContact CG2-CG1 3.98Å; I543-V629 HydrophobicContact CG2-CG2 4.29Å; I543-V629 WeakPolarHBondContact CG2-O 3.48Å; I543-D630 HydrophobicContact CG2-CB 4.04Å; I543-H744 HydrophobicContact CD1-CB 4.33Å
544	F	95.9	Very high	95.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.4	-38.5	175.7	-177.8	-123.1	0	0	0	112.7	L537 R540 Y541 D542 R546 F547 M548 I566 Q580 L583 M584 V629	L537-F544 HydrophobicContact CD1-CB 4.34Å; L537-F544 HydrophobicContact CD2-CB 4.28Å; L537-F544 HydrophobicContact CD2-CD1 4.1Å; L537-F544 HydrophobicContact CD2-CD2 3.77Å; L537-F544 HydrophobicContact CD2-CE1 4.39Å; L537-F544 HydrophobicContact CD2-CE2 4.1Å; L537-F544 HydrophobicContact CD2-CG 3.78Å; L537-F544 HydrophobicContact CD2-CZ 4.38Å; R540-F544 PolarHBondContact O-N 3.19Å; Y541-F544 WeakPolarHBondContact O-CA 3.39Å; Y541-F544 WeakPolarHBondContact O-CB 3.43Å; Y541-F544 PolarHBondContact O-N 3.05Å; D542-F544 VanDerWaalsContact C-N 3.35Å; F544-R546 VanDerWaalsContact C-N 3.32Å; F544-R546 PolarHBondContact O-N 3.23Å; F544-F547 HydrophobicContact CD2-CD1 4.32Å; F544-F547 HydrophobicContact CE2-CD1 4.28Å; F544-F547 WeakPolarHBondContact O-CB 3.37Å; F544-F547 PolarHBondContact O-N 2.98Å; F544-M548 HydrophobicContact CD2-CG 4.17Å; F544-M548 HydrophobicContact CE1-CG 4.15Å; F544-M548 HydrophobicContact CE2-CG 3.71Å; F544-M548 HydrophobicContact CE2-SD 3.82Å; F544-M548 HydrophobicContact CZ-CG 3.7Å; F544-M548 HydrophobicContact CZ-SD 3.9Å; F544-M548 WeakPolarHBondContact O-CG 3.49Å; F544-M548 PolarHBondContact O-N 2.89Å; F544-I566 HydrophobicContact CE2-CD1 3.78Å; F544-I566 HydrophobicContact CE2-CG1 4.01Å; F544-I566 HydrophobicContact CE2-CG2 4.4Å; F544-I566 HydrophobicContact CZ-CD1 4.39Å; F544-I566 HydrophobicContact CZ-CG1 4.13Å; F544-Q580 HydrophobicContact CD1-CB 4.26Å; F544-Q580 HydrophobicContact CD1-CG 4.03Å; F544-Q580 HydrophobicContact CE1-CB 4.24Å; F544-L583 HydrophobicContact CD1-CD2 3.73Å; F544-L583 HydrophobicContact CE1-CB 4.49Å; F544-L583 HydrophobicContact CE1-CD2 3.8Å; F544-M584 HydrophobicContact CE1-CG 4.15Å; F544-M584 HydrophobicContact CE1-SD 4.49Å; F544-M584 HydrophobicContact CZ-CG 3.84Å; F544-M584 HydrophobicContact CZ-SD 3.73Å; F544-V629 HydrophobicContact CB-CG2 4.08Å; F544-V629 HydrophobicContact CD2-CG2 3.97Å
545	V	96.7	Very high	95.1	Very high	54 Å²	54	37.4 Å²	37.4	33%	0.327	19%	0.187	S	C	.	.	H	α-helix	trans	-58.2	-45.7	172	173.1	0	0	0	0	110.9	Y541 D542 M548 A549 L583	Y541-V545 HydrophobicContact CD1-CG2 4.23Å; Y541-V545 HydrophobicContact CD2-CG2 4.47Å; Y541-V545 HydrophobicContact CE1-CG2 3.76Å; Y541-V545 HydrophobicContact CE2-CG2 4.01Å; Y541-V545 WeakPolarHBondContact O-CG2 3.38Å; Y541-V545 PolarHBondContact O-N 3.23Å; D542-V545 PolarHBondContact O-N 2.83Å; V545-M548 PolarHBondContact O-N 3.33Å; V545-A549 PolarHBondContact O-N 2.88Å; V545-L583 HydrophobicContact CB-CD2 4.47Å; V545-L583 HydrophobicContact CG2-CD2 3.8Å
546	R	95.5	Very high	95	Very high	79 Å²	79	38.1 Å²	38.1	30%	0.298	19%	0.191	S	C	.	.	H	α-helix	trans	-62.9	-42	176.4	-176.9	177.7	66.7	-151.7	3.3	112.3	D542 I543 F544 A549 N550 L632	D542-R546 PolarHBondContact O-N 2.92Å; I543-R546 WeakPolarHBondContact O-CB 3.4Å; I543-R546 PolarHBondContact O-N 3.35Å; F544-R546 VanDerWaalsContact C-N 3.32Å; F544-R546 PolarHBondContact O-N 3.23Å; R546-A549 PolarHBondContact O-N 3.45Å; R546-N550 PolarHBondContact O-N 3.18Å; R546-L632 HydrophobicContact CG-CD2 4.33Å
547	F	97.6	Very high	94.8	Very high	1 Å²	1	43 Å²	43	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-58.7	-49.8	175.2	175.9	-91.2	0	0	0	111.2	V535 I543 F544 A549 N550 F551 V564 I566 V629 F633	V535-F547 HydrophobicContact CG2-CE1 4.13Å; V535-F547 HydrophobicContact CG2-CE2 4.1Å; V535-F547 HydrophobicContact CG2-CZ 3.57Å; I543-F547 PolarHBondContact O-N 3.4Å; F544-F547 HydrophobicContact CD2-CD1 4.32Å; F544-F547 HydrophobicContact CE2-CD1 4.28Å; F544-F547 WeakPolarHBondContact O-CB 3.37Å; F544-F547 PolarHBondContact O-N 2.98Å; F547-A549 VanDerWaalsContact C-N 3.32Å; F547-A549 PolarHBondContact O-N 2.77Å; F547-N550 WeakPolarHBondContact O-CB 3.43Å; F547-N550 PolarHBondContact O-N 3.14Å; F547-N550 VanDerWaalsContact O-N 3.12Å; F547-F551 HydrophobicContact CE1-CB 4.44Å; F547-F551 PolarHBondContact O-N 3.12Å; F547-V564 HydrophobicContact CE1-CG2 4.17Å; F547-V564 HydrophobicContact CZ-CG2 4.37Å; F547-I566 HydrophobicContact CE1-CD1 4.34Å; F547-V629 HydrophobicContact CB-CG2 3.91Å; F547-V629 WeakPolarHBondContact CB-O 3.35Å; F547-V629 HydrophobicContact CG-CG2 4.21Å; F547-F633 AromaticContact CE2-CE1 3.89Å; F547-F633 HydrophobicContact CE2-CE1 3.89Å; F547-F633 HydrophobicContact CZ-CE1 4.3Å
548	M	97.9	Very high	94.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-36.6	-180	-70.4	-56.5	-64.3	0	0	112.2	F544 V545 F551 E552 L583 M584 Y587 M596	F544-M548 HydrophobicContact CD2-CG 4.17Å; F544-M548 HydrophobicContact CE1-CG 4.15Å; F544-M548 HydrophobicContact CE2-CG 3.71Å; F544-M548 HydrophobicContact CE2-SD 3.82Å; F544-M548 HydrophobicContact CZ-CG 3.7Å; F544-M548 HydrophobicContact CZ-SD 3.9Å; F544-M548 WeakPolarHBondContact O-CG 3.49Å; F544-M548 PolarHBondContact O-N 2.89Å; V545-M548 PolarHBondContact O-N 3.33Å; M548-F551 HydrophobicContact CE-CD1 4.23Å; M548-F551 PolarHBondContact O-N 3.22Å; M548-E552 WeakPolarHBondContact O-CB 3.37Å; M548-E552 PolarHBondContact O-N 3.5Å; M548-L583 HydrophobicContact CB-CD2 4.44Å; M548-L583 HydrophobicContact CG-CD2 4.16Å; M548-M584 HydrophobicContact CE-SD 3.71Å; M548-M584 HydrophobicContact SD-SD 3.94Å; M548-Y587 HydrophobicContact CB-CD2 4.31Å; M548-Y587 HydrophobicContact CB-CE2 3.62Å; M548-Y587 HydrophobicContact CE-CD1 4.18Å; M548-Y587 HydrophobicContact CE-CD2 3.71Å; M548-Y587 HydrophobicContact CE-CE2 4.13Å; M548-Y587 HydrophobicContact CE-CG 3.74Å; M548-Y587 HydrophobicContact CG-CE2 4.3Å; M548-M596 HydrophobicContact CE-SD 4.38Å
549	A	97.4	Very high	94.8	Very high	47 Å²	47	50.4 Å²	50.4	39%	0.388	26%	0.256	S	S	.	.	H	α-helix	trans	-64.5	-38.1	173.2	0	0	0	0	0	112.7	V545 R546 F547 K553	V545-A549 PolarHBondContact O-N 2.88Å; R546-A549 PolarHBondContact O-N 3.45Å; F547-A549 VanDerWaalsContact C-N 3.32Å; F547-A549 PolarHBondContact O-N 2.77Å; A549-K553 WeakPolarHBondContact O-CB 3.27Å; A549-K553 PolarHBondContact O-N 3.23Å; A549-K553 VanDerWaalsContact O-N 3.13Å
550	N	97.5	Very high	95.1	Very high	19 Å²	19	52 Å²	52	10%	0.102	26%	0.263	C	S	.	.	H	α-helix	trans	-67.3	-45.1	173.1	178.6	-119.5	0	0	0	111.6	R546 F547 E552 K553 V554 L632 F633	R546-N550 PolarHBondContact O-N 3.18Å; F547-N550 WeakPolarHBondContact O-CB 3.43Å; F547-N550 PolarHBondContact O-N 3.14Å; F547-N550 VanDerWaalsContact O-N 3.12Å; N550-E552 VanDerWaalsContact C-N 3.32Å; N550-E552 PolarHBondContact O-N 3.25Å; N550-K553 PolarHBondContact O-N 3.22Å; N550-V554 WeakPolarHBondContact O-CB 3.47Å; N550-V554 VanDerWaalsContact O-CG2 3.26Å; N550-V554 WeakPolarHBondContact O-CG2 3.46Å; N550-V554 PolarHBondContact O-N 2.99Å; N550-L632 HydrophobicContact CB-CD2 3.59Å; N550-F633 PolarHBondContact ND2-O 2.8Å; N550-F633 VanDerWaalsContact ND2-O 3.08Å; N550-F633 PolarHBondContact OD1-N 3.02Å; N550-F633 PolarHBondContact OD1-O 2.86Å
551	F	98.1	Very high	95.4	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.009	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-40.1	176.1	-178.2	-110.1	0	0	0	111.9	I533 F547 M548 C555 L556 V562 V564 M596 F633	I533-F551 HydrophobicContact CD1-CD2 4.36Å; I533-F551 HydrophobicContact CD1-CE2 4.07Å; F547-F551 HydrophobicContact CE1-CB 4.44Å; F547-F551 PolarHBondContact O-N 3.12Å; M548-F551 HydrophobicContact CE-CD1 4.23Å; M548-F551 PolarHBondContact O-N 3.22Å; F551-C555 HydrophobicContact CD2-CB 3.7Å; F551-C555 HydrophobicContact CE2-CB 3.52Å; F551-C555 HydrophobicContact CG-CB 4.35Å; F551-C555 HydrophobicContact CZ-CB 4.02Å; F551-C555 WeakPolarHBondContact O-CA 3.35Å; F551-C555 WeakPolarHBondContact O-CB 3.32Å; F551-C555 PolarHBondContact O-N 3.24Å; F551-L556 HydrophobicContact CD1-CD1 3.94Å; F551-L556 HydrophobicContact CD1-CD2 4.23Å; F551-L556 HydrophobicContact CD1-CG 3.87Å; F551-L556 HydrophobicContact CE1-CD1 4.01Å; F551-L556 HydrophobicContact CE1-CD2 3.55Å; F551-L556 HydrophobicContact CE1-CG 3.72Å; F551-L556 HydrophobicContact CZ-CD2 4.11Å; F551-L556 PolarHBondContact O-N 3.41Å; F551-V562 HydrophobicContact CE2-CG2 3.79Å; F551-V562 HydrophobicContact CZ-CG2 3.97Å; F551-V564 HydrophobicContact CD1-CG1 4.32Å; F551-V564 HydrophobicContact CE1-CB 4.16Å; F551-V564 HydrophobicContact CE1-CG1 3.6Å; F551-V564 HydrophobicContact CE2-CB 3.98Å; F551-V564 HydrophobicContact CE2-CG1 4.33Å; F551-V564 HydrophobicContact CZ-CB 3.72Å; F551-V564 HydrophobicContact CZ-CG1 3.61Å; F551-M596 HydrophobicContact CD1-SD 4.46Å; F551-M596 HydrophobicContact CE1-CG 4.11Å; F551-M596 HydrophobicContact CE1-SD 3.77Å; F551-F633 HydrophobicContact CD2-CZ 4.15Å
552	E	97.7	Very high	95.7	Very high	30 Å²	30	47.4 Å²	47.4	14%	0.14	25%	0.251	C	S	.	.	I	π-helix	trans	-60.4	-52.3	175.3	-175.1	179.4	-146.1	0	0	111.2	M548 N550 V554 L556 I557 Y587 K590 Y591	M548-E552 WeakPolarHBondContact O-CB 3.37Å; M548-E552 PolarHBondContact O-N 3.5Å; N550-E552 VanDerWaalsContact C-N 3.32Å; N550-E552 PolarHBondContact O-N 3.25Å; E552-V554 VanDerWaalsContact C-N 3.33Å; E552-V554 PolarHBondContact O-N 3.01Å; E552-L556 HydrophobicContact CB-CD1 4.24Å; E552-L556 HydrophobicContact CG-CB 4.35Å; E552-L556 HydrophobicContact CG-CD1 4.37Å; E552-L556 PolarHBondContact O-N 3.33Å; E552-I557 HydrophobicContact CG-CD1 4.2Å; E552-I557 HydrophobicContact CG-CG1 4.12Å; E552-I557 WeakPolarHBondContact O-CG1 3.36Å; E552-I557 PolarHBondContact O-N 2.98Å; E552-Y587 HydrophobicContact CB-CE1 3.83Å; E552-Y587 HydrophobicContact CG-CE1 4.02Å; E552-K590 WeakPolarHBondContact OE1-CE 3.33Å; E552-K590 IonicContact OE1-NZ 3.56Å; E552-K590 PolarHBondContact OE1-NZ 2.95Å; E552-Y591 HydrophobicContact CG-CE2 3.97Å; E552-Y591 WeakPolarHBondContact CG-OH 3.42Å; E552-Y591 WeakPolarHBondContact OE1-CE2 3.15Å; E552-Y591 VanDerWaalsContact OE1-CZ 3.29Å; E552-Y591 PolarHBondContact OE1-OH 2.99Å
553	K	96.8	Very high	95.9	Very high	158 Å²	158	42.6 Å²	42.6	69%	0.687	22%	0.223	S	C	*	.	I	π-helix	trans	-61.5	-39.9	-178.7	-177.5	178.5	177.1	-180	0	112.9	A549 N550 P558	A549-K553 WeakPolarHBondContact O-CB 3.27Å; A549-K553 PolarHBondContact O-N 3.23Å; A549-K553 VanDerWaalsContact O-N 3.13Å; N550-K553 PolarHBondContact O-N 3.22Å; K553-P558 WeakPolarHBondContact O-CD 3.39Å
554	V	96.3	Very high	96.1	Very high	16 Å²	16	41.2 Å²	41.2	10%	0.097	22%	0.216	C	C	.	.	I	π-helix	trans	-91.1	-38.1	-171.3	176	0	0	0	0	112.2	N550 E552 P558 L560 F633 L638	N550-V554 WeakPolarHBondContact O-CB 3.47Å; N550-V554 VanDerWaalsContact O-CG2 3.26Å; N550-V554 WeakPolarHBondContact O-CG2 3.46Å; N550-V554 PolarHBondContact O-N 2.99Å; E552-V554 VanDerWaalsContact C-N 3.33Å; E552-V554 PolarHBondContact O-N 3.01Å; V554-P558 WeakPolarHBondContact O-CG 3.42Å; V554-L560 HydrophobicContact CG1-CD1 4.44Å; V554-L560 WeakPolarHBondContact O-CD1 3.49Å; V554-L560 WeakPolarHBondContact O-CG 3.45Å; V554-F633 HydrophobicContact CB-CE2 4.44Å; V554-F633 HydrophobicContact CG1-CD2 4.12Å; V554-F633 HydrophobicContact CG1-CE2 4.09Å; V554-F633 WeakPolarHBondContact CG2-O 3.32Å; V554-L638 HydrophobicContact CG1-CD1 4.29Å
555	C	96.6	Very high	96.2	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.014	22%	0.216	C	C	.	.	I	π-helix	trans	-112.6	-47.7	-170	-60	0	0	0	0	113.2	F551 N559 L560 V562	F551-C555 HydrophobicContact CD2-CB 3.7Å; F551-C555 HydrophobicContact CE2-CB 3.52Å; F551-C555 HydrophobicContact CG-CB 4.35Å; F551-C555 HydrophobicContact CZ-CB 4.02Å; F551-C555 WeakPolarHBondContact O-CA 3.35Å; F551-C555 WeakPolarHBondContact O-CB 3.32Å; F551-C555 PolarHBondContact O-N 3.24Å; C555-N559 CarbonylContact O-C 3.52Å; C555-N559 VanDerWaalsContact O-CA 3.29Å; C555-N559 WeakPolarHBondContact O-CA 3.34Å; C555-N559 PolarHBondContact O-N 3.43Å; C555-L560 PolarHBondContact O-N 3.46Å; C555-V562 HydrophobicContact CB-CG2 3.69Å
556	L	95.9	Very high	96.3	Very high	16 Å²	16	38.6 Å²	38.6	8%	0.084	20%	0.201	C	C	.	.	I	π-helix	trans	-76.8	-48.3	-171.8	-58.6	-179.6	0	0	0	112.3	F551 E552 N559 Y587 Y591 A594 M596	F551-L556 HydrophobicContact CD1-CD1 3.94Å; F551-L556 HydrophobicContact CD1-CD2 4.23Å; F551-L556 HydrophobicContact CD1-CG 3.87Å; F551-L556 HydrophobicContact CE1-CD1 4.01Å; F551-L556 HydrophobicContact CE1-CD2 3.55Å; F551-L556 HydrophobicContact CE1-CG 3.72Å; F551-L556 HydrophobicContact CZ-CD2 4.11Å; F551-L556 PolarHBondContact O-N 3.41Å; E552-L556 HydrophobicContact CB-CD1 4.24Å; E552-L556 HydrophobicContact CG-CB 4.35Å; E552-L556 HydrophobicContact CG-CD1 4.37Å; E552-L556 PolarHBondContact O-N 3.33Å; L556-N559 PolarHBondContact O-N 3.02Å; L556-Y587 HydrophobicContact CD1-CD1 3.82Å; L556-Y587 HydrophobicContact CD1-CE1 4.28Å; L556-Y591 HydrophobicContact CB-CD1 4.14Å; L556-Y591 HydrophobicContact CB-CD2 4.33Å; L556-Y591 HydrophobicContact CB-CE1 4.08Å; L556-Y591 HydrophobicContact CB-CE2 4.25Å; L556-Y591 HydrophobicContact CB-CG 4.27Å; L556-Y591 HydrophobicContact CD1-CD2 3.63Å; L556-Y591 HydrophobicContact CD1-CE2 3.85Å; L556-Y591 HydrophobicContact CD1-CG 4.14Å; L556-A594 HydrophobicContact CD2-CB 3.47Å; L556-A594 VanDerWaalsContact CD2-CB 3.47Å; L556-M596 HydrophobicContact CD1-SD 3.92Å; L556-M596 HydrophobicContact CD2-SD 3.96Å
557	I	92.9	Very high	96.3	Very high	113 Å²	113	34.9 Å²	34.9	58%	0.579	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-46.5	178.7	-64.8	173.4	0	0	0	111	E552 N559	E552-I557 HydrophobicContact CG-CD1 4.2Å; E552-I557 HydrophobicContact CG-CG1 4.12Å; E552-I557 WeakPolarHBondContact O-CG1 3.36Å; E552-I557 PolarHBondContact O-N 2.98Å; I557-N559 PolarHBondContact O-N 3.22Å
558	P	92.9	Very high	96.2	Very high	72 Å²	72	35 Å²	35	47%	0.468	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-3.9	176.9	-16.1	35.3	0	0	0	113.9	K553 V554 L560	K553-P558 WeakPolarHBondContact O-CD 3.39Å; V554-P558 WeakPolarHBondContact O-CG 3.42Å; P558-L560 HydrophobicContact CB-CD2 4.17Å; P558-L560 HydrophobicContact CB-CG 4.29Å; P558-L560 PolarHBondContact O-N 3.44Å
559	N	91.7	Very high	95.9	Very high	121 Å²	121	35.1 Å²	35.1	65%	0.647	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	50.6	-178.5	-170.3	50	0	0	0	113.9	C555 L556 I557	C555-N559 CarbonylContact O-C 3.52Å; C555-N559 VanDerWaalsContact O-CA 3.29Å; C555-N559 WeakPolarHBondContact O-CA 3.34Å; C555-N559 PolarHBondContact O-N 3.43Å; L556-N559 PolarHBondContact O-N 3.02Å; I557-N559 PolarHBondContact O-N 3.22Å
560	L	93.8	Very high	95.1	Very high	41 Å²	41	36.1 Å²	36.1	22%	0.215	19%	0.192	C	C	.	.			trans	-69.5	149.7	177.9	-59	-172.2	0	0	0	111.7	V554 C555 P558 V562 L638	V554-L560 HydrophobicContact CG1-CD1 4.44Å; V554-L560 WeakPolarHBondContact O-CD1 3.49Å; V554-L560 WeakPolarHBondContact O-CG 3.45Å; C555-L560 PolarHBondContact O-N 3.46Å; P558-L560 HydrophobicContact CB-CD2 4.17Å; P558-L560 HydrophobicContact CB-CG 4.29Å; P558-L560 PolarHBondContact O-N 3.44Å; L560-V562 VanDerWaalsContact C-N 3.31Å; L560-V562 HydrophobicContact CB-CG1 4.19Å; L560-V562 PolarHBondContact O-N 2.62Å; L560-L638 HydrophobicContact CD1-CD1 3.93Å
561	N	95	Very high	93.9	Very high	52 Å²	52	37 Å²	37	28%	0.278	20%	0.198	S	C	.	.	S	Bend	trans	-74.9	82.2	177	-169.6	18.9	0	0	0	111.7	E528 K530 V531 R642	E528-N561 PolarHBondContact O-ND2 2.84Å; K530-N561 WeakPolarHBondContact CA-O 3.39Å; K530-N561 WeakPolarHBondContact CG-OD1 3.5Å; V531-N561 PolarHBondContact N-O 3.46Å; N561-R642 PolarHBondContact O-NH2 2.74Å
562	V	97.1	Very high	92.3	Very high	12 Å²	12	45.4 Å²	45.4	7%	0.073	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	158.6	-179	-57.5	0	0	0	0	111.5	K530 V531 F551 C555 L560 L638	K530-V562 VanDerWaalsContact CE-C 3.44Å; K530-V562 VanDerWaalsContact CE-O 3.22Å; K530-V562 WeakPolarHBondContact CE-O 3.41Å; V531-V562 HydrophobicContact CB-CG1 4.29Å; V531-V562 CarbonylContact O-C 3.51Å; V531-V562 VanDerWaalsContact O-CA 3.24Å; V531-V562 WeakPolarHBondContact O-CA 3.5Å; F551-V562 HydrophobicContact CE2-CG2 3.79Å; F551-V562 HydrophobicContact CZ-CG2 3.97Å; C555-V562 HydrophobicContact CB-CG2 3.69Å; L560-V562 VanDerWaalsContact C-N 3.31Å; L560-V562 HydrophobicContact CB-CG1 4.19Å; L560-V562 PolarHBondContact O-N 2.62Å; V562-L638 HydrophobicContact CG1-CD1 4.1Å
563	K	97.5	Very high	90.6	Very high	30 Å²	30	48.3 Å²	48.3	13%	0.13	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.2	163.1	175.4	173.1	-172.8	166.4	0	108.4	V531 N532 I533 D595 E597 F618	V531-K563 PolarHBondContact O-N 2.8Å; N532-K563 CarbonylContact C-O 3.58Å; I533-K563 PolarHBondContact N-O 3.44Å; K563-D595 VanDerWaalsContact CA-O 3.27Å; K563-D595 WeakPolarHBondContact CA-O 3.29Å; K563-D595 HydrophobicContact CB-CB 4.1Å; K563-D595 VanDerWaalsContact CD-CG 3.5Å; K563-D595 VanDerWaalsContact CD-OD1 3.23Å; K563-D595 WeakPolarHBondContact CD-OD1 3.39Å; K563-D595 WeakPolarHBondContact CD-OD2 3.48Å; K563-D595 WeakPolarHBondContact CE-OD1 3.33Å; K563-D595 HydrophobicContact CG-CB 4.14Å; K563-D595 VanDerWaalsContact CG-CG 3.49Å; K563-D595 WeakPolarHBondContact CG-OD1 3.38Å; K563-D595 IonicContact NZ-OD1 3.71Å; K563-E597 WeakPolarHBondContact CE-OE2 3.49Å; K563-E597 IonicContact NZ-OE2 3.31Å; K563-E597 PolarHBondContact NZ-OE2 3.46Å; K563-F618 HydrophobicContact CD-CE1 3.97Å; K563-F618 HydrophobicContact CD-CZ 4.13Å
564	V	97.9	Very high	89.4	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.6	167.5	69.3	0	0	0	0	110.2	I533 V535 F547 F551 I566 D595 M596 E597	I533-V564 HydrophobicContact CB-CG2 4.35Å; I533-V564 WeakPolarHBondContact O-CA 3.46Å; V535-V564 HydrophobicContact CG2-CG2 4.31Å; F547-V564 HydrophobicContact CE1-CG2 4.17Å; F547-V564 HydrophobicContact CZ-CG2 4.37Å; F551-V564 HydrophobicContact CD1-CG1 4.32Å; F551-V564 HydrophobicContact CE1-CB 4.16Å; F551-V564 HydrophobicContact CE1-CG1 3.6Å; F551-V564 HydrophobicContact CE2-CB 3.98Å; F551-V564 HydrophobicContact CE2-CG1 4.33Å; F551-V564 HydrophobicContact CZ-CB 3.72Å; F551-V564 HydrophobicContact CZ-CG1 3.61Å; V564-I566 HydrophobicContact CG2-CD1 3.78Å; V564-D595 PolarHBondContact N-O 3.33Å; V564-M596 HydrophobicContact CG1-CB 3.78Å; V564-M596 HydrophobicContact CG1-CG 3.69Å; V564-M596 HydrophobicContact CG1-SD 4.39Å; V564-M596 WeakPolarHBondContact O-CA 3.35Å; V564-E597 PolarHBondContact O-N 2.98Å
565	L	98.2	Very high	88.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	110.4	175.6	177.3	63.6	0	0	0	109	I533 L534 V535 L567 E597 K599 F618	I533-L565 PolarHBondContact O-N 3.17Å; L534-L565 HydrophobicContact CG-CD2 4.37Å; V535-L565 PolarHBondContact N-O 3Å; L565-L567 HydrophobicContact CD2-CD2 4.24Å; L565-L567 HydrophobicContact CG-CD2 4.36Å; L565-L567 HydrophobicContact CG-CG 4.37Å; L565-E597 WeakPolarHBondContact CA-O 3.48Å; L565-E597 HydrophobicContact CD1-CB 3.89Å; L565-E597 HydrophobicContact CD1-CG 3.99Å; L565-K599 HydrophobicContact CD1-CB 4.39Å; L565-K599 HydrophobicContact CD1-CD 4.28Å; L565-K599 HydrophobicContact CD1-CG 3.98Å; L565-F618 HydrophobicContact CD2-CE2 3.81Å; L565-F618 HydrophobicContact CD2-CZ 4.21Å
566	I	97.7	Very high	88	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	121.8	175.5	-52.6	-54.9	0	0	0	109	V535 L537 F544 F547 V564 M584 E597 I598 K599	V535-I566 HydrophobicContact CB-CD1 3.77Å; V535-I566 HydrophobicContact CG1-CD1 4.36Å; V535-I566 HydrophobicContact CG2-CD1 4.03Å; L537-I566 HydrophobicContact CB-CG2 3.98Å; L537-I566 HydrophobicContact CD2-CG2 3.76Å; F544-I566 HydrophobicContact CE2-CD1 3.78Å; F544-I566 HydrophobicContact CE2-CG1 4.01Å; F544-I566 HydrophobicContact CE2-CG2 4.4Å; F544-I566 HydrophobicContact CZ-CD1 4.39Å; F544-I566 HydrophobicContact CZ-CG1 4.13Å; F547-I566 HydrophobicContact CE1-CD1 4.34Å; V564-I566 HydrophobicContact CG2-CD1 3.78Å; I566-M584 HydrophobicContact CG1-CE 4.2Å; I566-M584 HydrophobicContact CG1-SD 4.18Å; I566-E597 PolarHBondContact N-O 3.04Å; I566-I598 HydrophobicContact CB-CB 4.3Å; I566-I598 HydrophobicContact CB-CD1 4.36Å; I566-I598 HydrophobicContact CB-CG1 4.01Å; I566-I598 HydrophobicContact CG2-CD1 4.1Å; I566-I598 HydrophobicContact CG2-CG1 4.1Å; I566-I598 CarbonylContact O-C 3.59Å; I566-I598 WeakPolarHBondContact O-CA 3.38Å; I566-K599 PolarHBondContact O-N 3.15Å
567	L	96.8	Very high	87.5	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	94.7	-178.8	-65.6	154.5	0	0	0	108.6	L534 V535 L537 L565 V601 A610	L534-L567 HydrophobicContact CB-CD1 4.26Å; L534-L567 HydrophobicContact CD2-CD1 4.45Å; V535-L567 PolarHBondContact O-N 3.36Å; L537-L567 PolarHBondContact N-O 3.02Å; L565-L567 HydrophobicContact CD2-CD2 4.24Å; L565-L567 HydrophobicContact CG-CD2 4.36Å; L565-L567 HydrophobicContact CG-CG 4.37Å; L567-V601 HydrophobicContact CB-CG2 4.03Å; L567-V601 HydrophobicContact CD2-CG2 4.14Å; L567-A610 HydrophobicContact CB-CB 4.26Å; L567-A610 HydrophobicContact CD1-CB 4.26Å; L567-A610 WeakPolarHBondContact CD1-O 3.35Å
568	L	94.4	Very high	87.3	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	118.8	-165.8	-178.7	66.1	0	0	0	112	L537 R577 V581 I598 K599 P600 V601	L537-L568 HydrophobicContact CB-CD1 4.39Å; L537-L568 HydrophobicContact CD2-CD1 4.16Å; L537-L568 HydrophobicContact CG-CD1 4.17Å; L537-L568 WeakPolarHBondContact O-CA 3.26Å; L568-R577 HydrophobicContact CD2-CG 3.6Å; L568-R577 HydrophobicContact CG-CG 4.36Å; L568-V581 HydrophobicContact CD2-CG2 4.12Å; L568-I598 HydrophobicContact CB-CD1 4.25Å; L568-I598 HydrophobicContact CB-CG1 4.07Å; L568-I598 HydrophobicContact CD2-CD1 3.86Å; L568-I598 HydrophobicContact CD2-CG1 4.33Å; L568-K599 PolarHBondContact N-O 2.9Å; L568-P600 CarbonylContact O-C 3.55Å; L568-P600 VanDerWaalsContact O-CA 3.29Å; L568-P600 WeakPolarHBondContact O-CA 3.11Å; L568-V601 PolarHBondContact O-N 3.48Å
569	F	91.6	Very high	87.2	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.009	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	147.4	169.8	-69.8	-99.6	0	0	0	110.8	L537 V601 S604 F605 S606 A610	L537-F569 PolarHBondContact O-N 2.98Å; F569-V601 HydrophobicContact CD1-CB 4.09Å; F569-V601 HydrophobicContact CD1-CG1 4.2Å; F569-V601 HydrophobicContact CD2-CB 4.26Å; F569-V601 HydrophobicContact CE1-CB 3.8Å; F569-V601 HydrophobicContact CE1-CG1 3.46Å; F569-V601 VanDerWaalsContact CE1-CG1 3.46Å; F569-V601 HydrophobicContact CE2-CB 3.96Å; F569-V601 HydrophobicContact CE2-CG1 4.17Å; F569-V601 HydrophobicContact CE2-CG2 4.23Å; F569-V601 HydrophobicContact CG-CB 4.33Å; F569-V601 HydrophobicContact CZ-CB 3.73Å; F569-V601 HydrophobicContact CZ-CG1 3.45Å; F569-V601 VanDerWaalsContact CZ-CG1 3.45Å; F569-V601 HydrophobicContact CZ-CG2 4.31Å; F569-S604 WeakPolarHBondContact CD1-O 3.3Å; F569-S604 WeakPolarHBondContact CE1-O 3.4Å; F569-F605 AromaticContact CD2-CD2 3.68Å; F569-F605 HydrophobicContact CD2-CD2 3.68Å; F569-F605 HydrophobicContact CD2-CE2 4.32Å; F569-F605 AromaticContact CE2-CD2 3.98Å; F569-F605 HydrophobicContact CE2-CD2 3.98Å; F569-F605 HydrophobicContact CE2-CE2 4.39Å; F569-F605 HydrophobicContact CG-CB 4.41Å; F569-F605 HydrophobicContact CG-CD2 4.11Å; F569-S606 WeakPolarHBondContact CZ-O 3.29Å; F569-A610 HydrophobicContact CE2-CB 3.5Å; F569-A610 VanDerWaalsContact CE2-CB 3.5Å; F569-A610 HydrophobicContact CZ-CB 3.74Å
570	S	81.3	Confident	87.3	Confident	67 Å²	67	50.6 Å²	50.6	47%	0.469	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-80.2	131.9	173	-154.8	0	0	0	0	110.1
571	T	71.9	Confident	87.3	Confident	37 Å²	37	50.7 Å²	50.7	23%	0.227	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-97.8	155.4	165.9	51.2	0	0	0	0	109.4	N573	T571-N573 PolarHBondContact O-N 2.94Å; T571-N573 PolarHBondContact OG1-O 3.04Å; T571-N573 VanDerWaalsContact OG1-O 3.09Å
572	D	63.7	Low	87.3	Confident	179 Å²	179	51.7 Å²	51.7	96%	0.957	27%	0.272	S	S	*	.	S	Bend	trans	-56	-24.5	176.7	-60.8	-35.3	0	0	0	112.7
573	N	62.9	Low	87.2	Confident	92 Å²	92	51.7 Å²	51.7	49%	0.492	27%	0.272	S	S	.	.			trans	-91.8	98.1	172.4	-165.3	-3.9	0	0	0	111.1	T571 T575	T571-N573 PolarHBondContact O-N 2.94Å; T571-N573 PolarHBondContact OG1-O 3.04Å; T571-N573 VanDerWaalsContact OG1-O 3.09Å; N573-T575 PolarHBondContact O-N 2.97Å; N573-T575 PolarHBondContact OD1-OG1 3.01Å
574	N	70.4	Confident	87.1	Confident	103 Å²	103	50.8 Å²	50.8	55%	0.551	27%	0.268	S	S	*	.	H	α-helix	trans	-62	-12.9	-178.5	-91.3	-37	0	0	0	114.9	V578	N574-V578 WeakPolarHBondContact O-CG2 3.3Å; N574-V578 PolarHBondContact O-N 3.16Å
575	T	80.4	Confident	87	Confident	78 Å²	78	56.9 Å²	56.9	48%	0.479	29%	0.291	S	S	.	.	H	α-helix	trans	-70.6	-39.5	-173.8	56.8	0	0	0	0	113.8	N573 V578 K579	N573-T575 PolarHBondContact O-N 2.97Å; N573-T575 PolarHBondContact OD1-OG1 3.01Å; T575-V578 PolarHBondContact O-N 2.72Å; T575-K579 PolarHBondContact O-N 2.63Å
576	E	82.9	Confident	86.9	Confident	66 Å²	66	61.9 Å²	61.9	31%	0.308	32%	0.315	S	S	.	.	H	α-helix	trans	-68.4	-37.4	178.3	-67.7	-165.2	171	0	0	111.9	G539 R540 V578 K579 Q580	G539-E576 WeakPolarHBondContact CA-OE2 3.37Å; R540-E576 PolarHBondContact N-OE2 3.43Å; E576-V578 VanDerWaalsContact C-N 3.29Å; E576-V578 PolarHBondContact O-N 2.82Å; E576-K579 PolarHBondContact O-N 3.25Å; E576-K579 VanDerWaalsContact O-N 3.15Å; E576-Q580 WeakPolarHBondContact O-CG 3.47Å; E576-Q580 PolarHBondContact O-N 2.97Å; E576-Q580 PolarHBondContact O-OE1 2.88Å
577	R	85.5	Confident	86.9	Confident	95 Å²	95	63.2 Å²	63.2	36%	0.358	32%	0.32	S	S	.	.	H	α-helix	trans	-57.4	-44.5	177	-159	-174.4	95.9	82.8	-4.7	111.4	L568 Q580 V581	L568-R577 HydrophobicContact CD2-CG 3.6Å; L568-R577 HydrophobicContact CG-CG 4.36Å; R577-Q580 PolarHBondContact O-N 2.97Å; R577-V581 VanDerWaalsContact O-CG2 3.3Å; R577-V581 WeakPolarHBondContact O-CG2 3.44Å; R577-V581 PolarHBondContact O-N 2.94Å; R577-V581 VanDerWaalsContact O-N 3.08Å
578	V	89.1	Confident	86.8	Confident	91 Å²	91	68 Å²	68	55%	0.552	34%	0.342	S	S	*	.	H	α-helix	trans	-61.7	-46.2	177.6	174.5	0	0	0	0	110.4	N574 T575 E576 Q580 V581 E582	N574-V578 WeakPolarHBondContact O-CG2 3.3Å; N574-V578 PolarHBondContact O-N 3.16Å; T575-V578 PolarHBondContact O-N 2.72Å; E576-V578 VanDerWaalsContact C-N 3.29Å; E576-V578 PolarHBondContact O-N 2.82Å; V578-Q580 PolarHBondContact O-N 3.04Å; V578-V581 PolarHBondContact O-N 3.36Å; V578-E582 WeakPolarHBondContact O-CB 2.83Å; V578-E582 PolarHBondContact O-N 3.01Å
579	K	92.2	Very high	86.9	Confident	110 Å²	110	74 Å²	74	48%	0.478	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-41.4	178.8	-66.3	179.2	178.8	-179.9	0	112.8	Y541 T575 E576 E582 L583	Y541-K579 HydrophobicContact CD1-CD 4.21Å; Y541-K579 HydrophobicContact CD2-CB 3.66Å; Y541-K579 HydrophobicContact CE1-CB 4.4Å; Y541-K579 HydrophobicContact CE1-CD 4.26Å; Y541-K579 HydrophobicContact CE2-CB 3.51Å; Y541-K579 WeakPolarHBondContact CE2-O 3.16Å; Y541-K579 HydrophobicContact CG-CB 4.18Å; Y541-K579 HydrophobicContact CG-CD 4.41Å; T575-K579 PolarHBondContact O-N 2.63Å; E576-K579 PolarHBondContact O-N 3.25Å; E576-K579 VanDerWaalsContact O-N 3.15Å; K579-E582 PolarHBondContact O-N 3.33Å; K579-L583 WeakPolarHBondContact O-CB 3.48Å; K579-L583 PolarHBondContact O-N 2.89Å
580	Q	93.1	Very high	87.1	Confident	2 Å²	2	80.1 Å²	80.1	1%	0.009	40%	0.4	C	S	.	.	H	α-helix	trans	-66.2	-41.2	178.8	-68.1	162.7	-31.4	0	0	112.2	L537 G539 Y541 F544 E576 R577 V578 M584	L537-Q580 HydrophobicContact CD2-CG 4.22Å; G539-Q580 PolarHBondContact O-NE2 3.32Å; Y541-Q580 HydrophobicContact CD2-CG 3.86Å; F544-Q580 HydrophobicContact CD1-CB 4.26Å; F544-Q580 HydrophobicContact CD1-CG 4.03Å; F544-Q580 HydrophobicContact CE1-CB 4.24Å; E576-Q580 WeakPolarHBondContact O-CG 3.47Å; E576-Q580 PolarHBondContact O-N 2.97Å; E576-Q580 PolarHBondContact O-OE1 2.88Å; R577-Q580 PolarHBondContact O-N 2.97Å; V578-Q580 PolarHBondContact O-N 3.04Å; Q580-M584 PolarHBondContact O-N 2.98Å; Q580-M584 VanDerWaalsContact O-N 3.12Å
581	V	93.1	Very high	87.8	Confident	44 Å²	44	79.1 Å²	79.1	27%	0.267	39%	0.387	S	S	.	.	H	α-helix	trans	-66.8	-41.3	175.8	172.9	0	0	0	0	110.8	L568 R577 V578 M584 R585 I598	L568-V581 HydrophobicContact CD2-CG2 4.12Å; R577-V581 VanDerWaalsContact O-CG2 3.3Å; R577-V581 WeakPolarHBondContact O-CG2 3.44Å; R577-V581 PolarHBondContact O-N 2.94Å; R577-V581 VanDerWaalsContact O-N 3.08Å; V578-V581 PolarHBondContact O-N 3.36Å; V581-M584 PolarHBondContact O-N 2.84Å; V581-R585 PolarHBondContact O-N 2.89Å; V581-I598 HydrophobicContact CG2-CD1 4.23Å
582	E	94.8	Very high	88.8	Confident	72 Å²	72	82.1 Å²	82.1	34%	0.336	41%	0.407	S	S	.	.	H	α-helix	trans	-63.2	-45.6	176.7	-161.7	62.5	-127.6	0	0	111.3	V578 K579 M584 R585 E586	V578-E582 WeakPolarHBondContact O-CB 2.83Å; V578-E582 PolarHBondContact O-N 3.01Å; K579-E582 PolarHBondContact O-N 3.33Å; E582-M584 VanDerWaalsContact C-N 3.32Å; E582-M584 PolarHBondContact O-N 3Å; E582-R585 CarbonylContact O-C 3.56Å; E582-R585 WeakPolarHBondContact O-CA 3.47Å; E582-R585 WeakPolarHBondContact O-CB 3.39Å; E582-R585 PolarHBondContact O-N 3.25Å; E582-R585 IonicContact OE1-CZ 3.82Å; E582-R585 IonicContact OE1-NH1 3.37Å; E582-R585 PolarHBondContact OE1-NH1 2.97Å; E582-R585 IonicContact OE2-CZ 3.61Å; E582-R585 IonicContact OE2-NH1 2.69Å; E582-R585 PolarHBondContact OE2-NH1 2.92Å; E582-E586 WeakPolarHBondContact O-CG 3.5Å; E582-E586 PolarHBondContact O-N 2.95Å
583	L	95.9	Very high	90.1	Very high	12 Å²	12	84.9 Å²	84.9	6%	0.063	40%	0.404	C	S	.	.	H	α-helix	trans	-57.6	-45	176.4	-174.3	67.5	0	0	0	111.6	Y541 F544 V545 M548 K579 R585 E586 Y587	Y541-L583 HydrophobicContact CE2-CB 4.29Å; Y541-L583 HydrophobicContact CE2-CD2 4.24Å; F544-L583 HydrophobicContact CD1-CD2 3.73Å; F544-L583 HydrophobicContact CE1-CB 4.49Å; F544-L583 HydrophobicContact CE1-CD2 3.8Å; V545-L583 HydrophobicContact CB-CD2 4.47Å; V545-L583 HydrophobicContact CG2-CD2 3.8Å; M548-L583 HydrophobicContact CB-CD2 4.44Å; M548-L583 HydrophobicContact CG-CD2 4.16Å; K579-L583 WeakPolarHBondContact O-CB 3.48Å; K579-L583 PolarHBondContact O-N 2.89Å; L583-R585 VanDerWaalsContact C-N 3.29Å; L583-R585 PolarHBondContact O-N 3.45Å; L583-E586 WeakPolarHBondContact O-CB 3.44Å; L583-E586 PolarHBondContact O-N 3.4Å; L583-Y587 HydrophobicContact CD1-CD2 4.2Å; L583-Y587 HydrophobicContact CD1-CE2 3.85Å; L583-Y587 HydrophobicContact CG-CD2 4.13Å; L583-Y587 HydrophobicContact CG-CE2 4.06Å; L583-Y587 WeakPolarHBondContact O-CD2 3.43Å; L583-Y587 PolarHBondContact O-N 3.46Å
584	M	95.4	Very high	91.6	Very high	11 Å²	11	81.4 Å²	81.4	5%	0.054	39%	0.388	C	S	.	.	H	α-helix	trans	-62.5	-36.9	175.5	-76.2	-62.5	-68.7	0	0	112.4	F544 M548 I566 Q580 V581 E582 Y587 H588 M596 I598	F544-M584 HydrophobicContact CE1-CG 4.15Å; F544-M584 HydrophobicContact CE1-SD 4.49Å; F544-M584 HydrophobicContact CZ-CG 3.84Å; F544-M584 HydrophobicContact CZ-SD 3.73Å; M548-M584 HydrophobicContact CE-SD 3.71Å; M548-M584 HydrophobicContact SD-SD 3.94Å; I566-M584 HydrophobicContact CG1-CE 4.2Å; I566-M584 HydrophobicContact CG1-SD 4.18Å; Q580-M584 PolarHBondContact O-N 2.98Å; Q580-M584 VanDerWaalsContact O-N 3.12Å; V581-M584 PolarHBondContact O-N 2.84Å; E582-M584 VanDerWaalsContact C-N 3.32Å; E582-M584 PolarHBondContact O-N 3Å; M584-Y587 PolarHBondContact O-N 3.05Å; M584-H588 WeakPolarHBondContact O-CB 3.24Å; M584-H588 PolarHBondContact O-N 3.06Å; M584-M596 HydrophobicContact CE-CB 3.91Å; M584-I598 HydrophobicContact CG-CD1 4.12Å
585	R	95.6	Very high	92.7	Very high	128 Å²	128	79.3 Å²	79.3	48%	0.483	38%	0.377	S	S	.	.	H	α-helix	trans	-64	-44.4	174.5	-173.8	-171.2	-73.2	140	-3.7	111.2	V581 E582 L583 Y587 H588 L589	V581-R585 PolarHBondContact O-N 2.89Å; E582-R585 CarbonylContact O-C 3.56Å; E582-R585 WeakPolarHBondContact O-CA 3.47Å; E582-R585 WeakPolarHBondContact O-CB 3.39Å; E582-R585 PolarHBondContact O-N 3.25Å; E582-R585 IonicContact OE1-CZ 3.82Å; E582-R585 IonicContact OE1-NH1 3.37Å; E582-R585 PolarHBondContact OE1-NH1 2.97Å; E582-R585 IonicContact OE2-CZ 3.61Å; E582-R585 IonicContact OE2-NH1 2.69Å; E582-R585 PolarHBondContact OE2-NH1 2.92Å; L583-R585 VanDerWaalsContact C-N 3.29Å; L583-R585 PolarHBondContact O-N 3.45Å; R585-Y587 VanDerWaalsContact C-N 3.34Å; R585-Y587 PolarHBondContact O-N 3.33Å; R585-H588 PolarHBondContact O-N 3.05Å; R585-H588 VanDerWaalsContact O-N 3.15Å; R585-L589 HydrophobicContact CG-CD1 4.3Å; R585-L589 WeakPolarHBondContact O-CG 3.39Å; R585-L589 PolarHBondContact O-N 3.34Å
586	E	96.6	Very high	93.5	Very high	106 Å²	106	76.3 Å²	76.3	50%	0.495	36%	0.358	S	S	.	.	H	α-helix	trans	-57.5	-46.1	176.3	-69.6	174	-173.4	0	0	111.5	E582 L583 H588 L589 K590	E582-E586 WeakPolarHBondContact O-CG 3.5Å; E582-E586 PolarHBondContact O-N 2.95Å; L583-E586 WeakPolarHBondContact O-CB 3.44Å; L583-E586 PolarHBondContact O-N 3.4Å; E586-H588 PolarHBondContact O-N 3.5Å; E586-L589 PolarHBondContact O-N 2.97Å; E586-K590 WeakPolarHBondContact O-CB 3.41Å; E586-K590 PolarHBondContact O-N 3.45Å
587	Y	97.1	Very high	94.1	Very high	28 Å²	28	76.1 Å²	76.1	11%	0.11	36%	0.356	C	S	.	.	H	α-helix	trans	-65.1	-36.9	175.3	-85.4	-79.7	0	0	0	113	M548 E552 L556 L583 M584 R585 K590 Y591 M596	M548-Y587 HydrophobicContact CB-CD2 4.31Å; M548-Y587 HydrophobicContact CB-CE2 3.62Å; M548-Y587 HydrophobicContact CE-CD1 4.18Å; M548-Y587 HydrophobicContact CE-CD2 3.71Å; M548-Y587 HydrophobicContact CE-CE2 4.13Å; M548-Y587 HydrophobicContact CE-CG 3.74Å; M548-Y587 HydrophobicContact CG-CE2 4.3Å; E552-Y587 HydrophobicContact CB-CE1 3.83Å; E552-Y587 HydrophobicContact CG-CE1 4.02Å; L556-Y587 HydrophobicContact CD1-CD1 3.82Å; L556-Y587 HydrophobicContact CD1-CE1 4.28Å; L583-Y587 HydrophobicContact CD1-CD2 4.2Å; L583-Y587 HydrophobicContact CD1-CE2 3.85Å; L583-Y587 HydrophobicContact CG-CD2 4.13Å; L583-Y587 HydrophobicContact CG-CE2 4.06Å; L583-Y587 WeakPolarHBondContact O-CD2 3.43Å; L583-Y587 PolarHBondContact O-N 3.46Å; M584-Y587 PolarHBondContact O-N 3.05Å; R585-Y587 VanDerWaalsContact C-N 3.34Å; R585-Y587 PolarHBondContact O-N 3.33Å; Y587-K590 PolarHBondContact O-N 3.18Å; Y587-Y591 HydrophobicContact CD1-CD2 4.08Å; Y587-Y591 HydrophobicContact CD1-CE2 4.04Å; Y587-Y591 HydrophobicContact CE1-CE2 4.36Å; Y587-Y591 PolarHBondContact O-N 3.22Å; Y587-M596 WeakPolarHBondContact O-CE 3.36Å
588	H	95.3	Very high	94.5	Very high	100 Å²	100	73.9 Å²	73.9	46%	0.463	35%	0.351	S	S	.	.	H	α-helix	trans	-66	-39.1	176.7	-165	80.7	0	0	0	111.9	M584 R585 E586 Y591 P592	M584-H588 WeakPolarHBondContact O-CB 3.24Å; M584-H588 PolarHBondContact O-N 3.06Å; R585-H588 PolarHBondContact O-N 3.05Å; R585-H588 VanDerWaalsContact O-N 3.15Å; E586-H588 PolarHBondContact O-N 3.5Å; H588-Y591 CarbonylContact O-C 3.58Å; H588-P592 WeakPolarHBondContact O-CA 3.3Å
589	L	95.6	Very high	94.8	Very high	132 Å²	132	72.1 Å²	72.1	69%	0.691	34%	0.336	S	S	*	.	H	α-helix	trans	-66.4	-40.2	173.5	-69.9	171.5	0	0	0	111.7	R585 E586	R585-L589 HydrophobicContact CG-CD1 4.3Å; R585-L589 WeakPolarHBondContact O-CG 3.39Å; R585-L589 PolarHBondContact O-N 3.34Å; E586-L589 PolarHBondContact O-N 2.97Å
590	K	96.7	Very high	94.8	Very high	129 Å²	129	71.8 Å²	71.8	56%	0.561	35%	0.345	S	S	*	.	H	α-helix	trans	-72.1	-34.1	179.3	-169.1	175.9	178.5	-173	0	113.1	E552 E586 Y587	E552-K590 WeakPolarHBondContact OE1-CE 3.33Å; E552-K590 IonicContact OE1-NZ 3.56Å; E552-K590 PolarHBondContact OE1-NZ 2.95Å; E586-K590 WeakPolarHBondContact O-CB 3.41Å; E586-K590 PolarHBondContact O-N 3.45Å; Y587-K590 PolarHBondContact O-N 3.18Å
591	Y	96.4	Very high	94.8	Very high	47 Å²	47	72.4 Å²	72.4	18%	0.184	35%	0.349	C	S	.	.			trans	-129.3	73.5	-178.6	-57.8	-82.1	0	0	0	112.4	E552 L556 Y587 H588 R593 A594	E552-Y591 HydrophobicContact CG-CE2 3.97Å; E552-Y591 WeakPolarHBondContact CG-OH 3.42Å; E552-Y591 WeakPolarHBondContact OE1-CE2 3.15Å; E552-Y591 VanDerWaalsContact OE1-CZ 3.29Å; E552-Y591 PolarHBondContact OE1-OH 2.99Å; L556-Y591 HydrophobicContact CB-CD1 4.14Å; L556-Y591 HydrophobicContact CB-CD2 4.33Å; L556-Y591 HydrophobicContact CB-CE1 4.08Å; L556-Y591 HydrophobicContact CB-CE2 4.25Å; L556-Y591 HydrophobicContact CB-CG 4.27Å; L556-Y591 HydrophobicContact CD1-CD2 3.63Å; L556-Y591 HydrophobicContact CD1-CE2 3.85Å; L556-Y591 HydrophobicContact CD1-CG 4.14Å; Y587-Y591 HydrophobicContact CD1-CD2 4.08Å; Y587-Y591 HydrophobicContact CD1-CE2 4.04Å; Y587-Y591 HydrophobicContact CE1-CE2 4.36Å; Y587-Y591 PolarHBondContact O-N 3.22Å; H588-Y591 CarbonylContact O-C 3.58Å; Y591-R593 PolarHBondContact O-N 3.41Å; Y591-A594 WeakPolarHBondContact O-CB 3.39Å; Y591-A594 PolarHBondContact O-N 2.89Å
592	P	92.5	Very high	94.6	Very high	100 Å²	100	74.5 Å²	74.5	65%	0.649	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-20	-173.3	-23.5	34	0	0	0	115.1	H588	H588-P592 WeakPolarHBondContact O-CA 3.3Å
593	R	90.8	Very high	94.2	Very high	236 Å²	236	73.8 Å²	73.8	89%	0.891	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-8.5	179.5	-69	-171.4	-79.1	163.5	-5.1	113.6	Y591	Y591-R593 PolarHBondContact O-N 3.41Å
594	A	93.6	Very high	93.8	Very high	20 Å²	20	78 Å²	78	17%	0.165	41%	0.414	C	S	.	.	S	Bend	trans	-77.1	136.5	-179	0	0	0	0	0	111	L556 Y591 M596	L556-A594 HydrophobicContact CD2-CB 3.47Å; L556-A594 VanDerWaalsContact CD2-CB 3.47Å; Y591-A594 WeakPolarHBondContact O-CB 3.39Å; Y591-A594 PolarHBondContact O-N 2.89Å; A594-M596 HydrophobicContact CB-CE 3.81Å; A594-M596 HydrophobicContact CB-CG 3.95Å; A594-M596 HydrophobicContact CB-SD 4.15Å; A594-M596 PolarHBondContact O-N 2.84Å
595	D	94.6	Very high	93.6	Very high	58 Å²	58	80.6 Å²	80.6	31%	0.31	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	93.4	176.9	-166	-10.9	0	0	0	109.5	K530 K563 V564	K530-D595 IonicContact NZ-OD2 3.33Å; K530-D595 PolarHBondContact NZ-OD2 3.42Å; K563-D595 VanDerWaalsContact CA-O 3.27Å; K563-D595 WeakPolarHBondContact CA-O 3.29Å; K563-D595 HydrophobicContact CB-CB 4.1Å; K563-D595 VanDerWaalsContact CD-CG 3.5Å; K563-D595 VanDerWaalsContact CD-OD1 3.23Å; K563-D595 WeakPolarHBondContact CD-OD1 3.39Å; K563-D595 WeakPolarHBondContact CD-OD2 3.48Å; K563-D595 WeakPolarHBondContact CE-OD1 3.33Å; K563-D595 HydrophobicContact CG-CB 4.14Å; K563-D595 VanDerWaalsContact CG-CG 3.49Å; K563-D595 WeakPolarHBondContact CG-OD1 3.38Å; K563-D595 IonicContact NZ-OD1 3.71Å; V564-D595 PolarHBondContact N-O 3.33Å
596	M	96.3	Very high	93.4	Very high	16 Å²	16	74.5 Å²	74.5	8%	0.079	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	132.5	-177.6	-51.7	-173.8	-73.6	0	0	109.4	M548 F551 L556 V564 M584 Y587 A594	M548-M596 HydrophobicContact CE-SD 4.38Å; F551-M596 HydrophobicContact CD1-SD 4.46Å; F551-M596 HydrophobicContact CE1-CG 4.11Å; F551-M596 HydrophobicContact CE1-SD 3.77Å; L556-M596 HydrophobicContact CD1-SD 3.92Å; L556-M596 HydrophobicContact CD2-SD 3.96Å; V564-M596 HydrophobicContact CG1-CB 3.78Å; V564-M596 HydrophobicContact CG1-CG 3.69Å; V564-M596 HydrophobicContact CG1-SD 4.39Å; V564-M596 WeakPolarHBondContact O-CA 3.35Å; M584-M596 HydrophobicContact CE-CB 3.91Å; Y587-M596 WeakPolarHBondContact O-CE 3.36Å; A594-M596 HydrophobicContact CB-CE 3.81Å; A594-M596 HydrophobicContact CB-CG 3.95Å; A594-M596 HydrophobicContact CB-SD 4.15Å; A594-M596 PolarHBondContact O-N 2.84Å
597	E	95.6	Very high	93.2	Very high	61 Å²	61	69.7 Å²	69.7	29%	0.285	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	145.9	-176.2	-168.8	174.1	-177.5	0	0	111.1	K563 V564 L565 I566 K599	K563-E597 WeakPolarHBondContact CE-OE2 3.49Å; K563-E597 IonicContact NZ-OE2 3.31Å; K563-E597 PolarHBondContact NZ-OE2 3.46Å; V564-E597 PolarHBondContact O-N 2.98Å; L565-E597 WeakPolarHBondContact CA-O 3.48Å; L565-E597 HydrophobicContact CD1-CB 3.89Å; L565-E597 HydrophobicContact CD1-CG 3.99Å; I566-E597 PolarHBondContact N-O 3.04Å; E597-K599 HydrophobicContact CG-CG 4.31Å; E597-K599 WeakPolarHBondContact OE1-CE 3.28Å; E597-K599 IonicContact OE1-NZ 3.14Å
598	I	94.9	Very high	93.1	Very high	48 Å²	48	68.4 Å²	68.4	25%	0.246	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128	172.1	-170.3	161.6	0	0	0	109.2	I566 L568 V581 M584	I566-I598 HydrophobicContact CB-CB 4.3Å; I566-I598 HydrophobicContact CB-CD1 4.36Å; I566-I598 HydrophobicContact CB-CG1 4.01Å; I566-I598 HydrophobicContact CG2-CD1 4.1Å; I566-I598 HydrophobicContact CG2-CG1 4.1Å; I566-I598 CarbonylContact O-C 3.59Å; I566-I598 WeakPolarHBondContact O-CA 3.38Å; L568-I598 HydrophobicContact CB-CD1 4.25Å; L568-I598 HydrophobicContact CB-CG1 4.07Å; L568-I598 HydrophobicContact CD2-CD1 3.86Å; L568-I598 HydrophobicContact CD2-CG1 4.33Å; V581-I598 HydrophobicContact CG2-CD1 4.23Å; M584-I598 HydrophobicContact CG-CD1 4.12Å
599	K	94.2	Very high	93.1	Very high	54 Å²	54	65.9 Å²	65.9	24%	0.235	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.3	179.7	-73.7	-161	179.1	-161.6	0	111.6	L565 I566 L568 E597 H617	L565-K599 HydrophobicContact CD1-CB 4.39Å; L565-K599 HydrophobicContact CD1-CD 4.28Å; L565-K599 HydrophobicContact CD1-CG 3.98Å; I566-K599 PolarHBondContact O-N 3.15Å; L568-K599 PolarHBondContact N-O 2.9Å; E597-K599 HydrophobicContact CG-CG 4.31Å; E597-K599 WeakPolarHBondContact OE1-CE 3.28Å; E597-K599 IonicContact OE1-NZ 3.14Å; K599-H617 VanDerWaalsContact CD-NE2 3.33Å; K599-H617 WeakPolarHBondContact CD-NE2 3.47Å; K599-H617 PolarHBondContact NZ-CE1 3.47Å; K599-H617 PolarHBondContact NZ-ND1 3.41Å; K599-H617 PolarHBondContact NZ-NE2 3.23Å; K599-H617 VanDerWaalsContact NZ-NE2 3.14Å
600	P	92.8	Very high	93.1	Very high	104 Å²	104	59.6 Å²	59.6	68%	0.675	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	139.8	172.7	30.2	-32.9	0	0	0	110.7	L568	L568-P600 CarbonylContact O-C 3.55Å; L568-P600 VanDerWaalsContact O-CA 3.29Å; L568-P600 WeakPolarHBondContact O-CA 3.11Å
601	V	92.8	Very high	93.1	Very high	14 Å²	14	53.5 Å²	53.5	9%	0.085	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.6	170	-173	0	0	0	0	108.2	L567 L568 F569 L609	L567-V601 HydrophobicContact CB-CG2 4.03Å; L567-V601 HydrophobicContact CD2-CG2 4.14Å; L568-V601 PolarHBondContact O-N 3.48Å; F569-V601 HydrophobicContact CD1-CB 4.09Å; F569-V601 HydrophobicContact CD1-CG1 4.2Å; F569-V601 HydrophobicContact CD2-CB 4.26Å; F569-V601 HydrophobicContact CE1-CB 3.8Å; F569-V601 HydrophobicContact CE1-CG1 3.46Å; F569-V601 VanDerWaalsContact CE1-CG1 3.46Å; F569-V601 HydrophobicContact CE2-CB 3.96Å; F569-V601 HydrophobicContact CE2-CG1 4.17Å; F569-V601 HydrophobicContact CE2-CG2 4.23Å; F569-V601 HydrophobicContact CG-CB 4.33Å; F569-V601 HydrophobicContact CZ-CB 3.73Å; F569-V601 HydrophobicContact CZ-CG1 3.45Å; F569-V601 VanDerWaalsContact CZ-CG1 3.45Å; F569-V601 HydrophobicContact CZ-CG2 4.31Å; V601-L609 HydrophobicContact CG1-CD2 4.38Å; V601-L609 HydrophobicContact CG1-CG 4.46Å
602	A	88.8	Confident	93	Very high	89 Å²	89	53 Å²	53	74%	0.736	30%	0.304	S	S	*	.			trans	-79.1	146.7	-177.8	0	0	0	0	0	111.8
603	G	86.3	Confident	93.2	Very high	56 Å²	56	50.8 Å²	50.8	58%	0.577	29%	0.288	S	S	*	.	S	Bend	trans	95.4	-175	178.1	0	0	0	0	0	113.9
604	S	88.1	Confident	93.4	Very high	102 Å²	102	39.5 Å²	39.5	71%	0.713	25%	0.246	S	C	*	.	S	Bend	trans	-68.3	155.8	174.2	-57.5	0	0	0	0	111	F569 S606	F569-S604 WeakPolarHBondContact CD1-O 3.3Å; F569-S604 WeakPolarHBondContact CE1-O 3.4Å; S604-S606 PolarHBondContact O-N 2.92Å; S604-S606 VanDerWaalsContact O-N 3.16Å
605	F	90.3	Very high	93.5	Very high	65 Å²	65	38.6 Å²	38.6	29%	0.285	24%	0.238	S	C	.	.			trans	-56.3	122	179.4	177.9	-98.9	0	0	0	111.9	P536 S538 F569 R607 G712 W713	P536-F605 HydrophobicContact CB-CE2 4.08Å; P536-F605 HydrophobicContact CB-CZ 4.48Å; S538-F605 VanDerWaalsContact CB-CD2 3.42Å; F569-F605 AromaticContact CD2-CD2 3.68Å; F569-F605 HydrophobicContact CD2-CD2 3.68Å; F569-F605 HydrophobicContact CD2-CE2 4.32Å; F569-F605 AromaticContact CE2-CD2 3.98Å; F569-F605 HydrophobicContact CE2-CD2 3.98Å; F569-F605 HydrophobicContact CE2-CE2 4.39Å; F569-F605 HydrophobicContact CG-CB 4.41Å; F569-F605 HydrophobicContact CG-CD2 4.11Å; F605-R607 HydrophobicContact CE1-CB 4.39Å; F605-R607 HydrophobicContact CZ-CB 4.21Å; F605-G712 VanDerWaalsContact O-CA 3.3Å; F605-G712 WeakPolarHBondContact O-CA 2.99Å; F605-G712 PolarHBondContact O-N 3.43Å; F605-W713 HydrophobicContact CE1-CB 4.48Å
606	S	92.6	Very high	93.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-136.8	119.9	166.6	164.7	0	0	0	0	108.6	F569 S604 A608 L609 A610 I710 G712	F569-S606 WeakPolarHBondContact CZ-O 3.29Å; S604-S606 PolarHBondContact O-N 2.92Å; S604-S606 VanDerWaalsContact O-N 3.16Å; S606-A608 VanDerWaalsContact C-N 3.35Å; S606-L609 PolarHBondContact O-N 2.82Å; S606-L609 WeakPolarHBondContact OG-CB 3.33Å; S606-L609 PolarHBondContact OG-N 2.89Å; S606-A610 WeakPolarHBondContact O-CB 3.2Å; S606-A610 PolarHBondContact O-N 3.13Å; S606-I710 PolarHBondContact OG-O 3.31Å; S606-G712 WeakPolarHBondContact CA-O 3.46Å
607	R	92.9	Very high	93.5	Very high	4 Å²	4	45 Å²	45	2%	0.015	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-42.2	179.9	-173.6	169.3	-178.6	-78.6	-6.8	111.3	P536 F605 A610 L611 D628 G691 G712 E716	P536-R607 HydrophobicContact CG-CG 4.27Å; F605-R607 HydrophobicContact CE1-CB 4.39Å; F605-R607 HydrophobicContact CZ-CB 4.21Å; R607-A610 PolarHBondContact O-N 3.38Å; R607-L611 HydrophobicContact CG-CD1 4.09Å; R607-L611 WeakPolarHBondContact O-CG 3.39Å; R607-L611 PolarHBondContact O-N 2.99Å; R607-L611 VanDerWaalsContact O-N 3.1Å; R607-D628 IonicContact CZ-OD1 3.43Å; R607-D628 VanDerWaalsContact CZ-OD1 3.23Å; R607-D628 IonicContact NE-OD1 3.79Å; R607-D628 PolarHBondContact NE-OD1 3.47Å; R607-D628 IonicContact NE-OD2 2.67Å; R607-D628 IonicContact NH2-OD1 3.11Å; R607-D628 PolarHBondContact NH2-OD1 2.63Å; R607-D628 IonicContact NH2-OD2 3.23Å; R607-G691 PolarHBondContact NH2-O 2.87Å; R607-G712 PolarHBondContact N-O 3.21Å; R607-E716 VanDerWaalsContact CD-OE1 3.29Å; R607-E716 WeakPolarHBondContact CD-OE1 3.48Å; R607-E716 IonicContact CZ-OE1 3.23Å; R607-E716 IonicContact NE-OE1 4Å; R607-E716 IonicContact NH1-OE1 3.61Å; R607-E716 PolarHBondContact NH1-OE1 3.27Å
608	A	94.1	Very high	93.5	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-50.4	177.3	0	0	0	0	0	111.6	S606 A610 L611 E612 F706 E716	S606-A608 VanDerWaalsContact C-N 3.35Å; A608-A610 VanDerWaalsContact C-N 3.34Å; A608-A610 PolarHBondContact O-N 3.24Å; A608-L611 PolarHBondContact O-N 3.34Å; A608-E612 WeakPolarHBondContact O-CB 3.39Å; A608-E612 PolarHBondContact O-N 3.5Å; A608-F706 HydrophobicContact CB-CB 4.3Å; A608-F706 HydrophobicContact CB-CD1 4.38Å; A608-E716 HydrophobicContact CB-CB 3.74Å; A608-E716 HydrophobicContact CB-CG 4.12Å
609	L	95.2	Very high	93.6	Very high	47 Å²	47	44.4 Å²	44.4	25%	0.246	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-44.7	178.8	180	63.8	0	0	0	111.5	V601 S606 L611 E612 V613 T708	V601-L609 HydrophobicContact CG1-CD2 4.38Å; V601-L609 HydrophobicContact CG1-CG 4.46Å; S606-L609 PolarHBondContact O-N 2.82Å; S606-L609 WeakPolarHBondContact OG-CB 3.33Å; S606-L609 PolarHBondContact OG-N 2.89Å; L609-L611 PolarHBondContact O-N 3.26Å; L609-E612 PolarHBondContact O-N 2.63Å; L609-V613 HydrophobicContact CD1-CG2 3.92Å; L609-V613 HydrophobicContact CG-CG2 4.38Å; L609-V613 WeakPolarHBondContact O-CB 3.35Å; L609-V613 VanDerWaalsContact O-CG2 3.29Å; L609-V613 WeakPolarHBondContact O-CG2 3.37Å; L609-V613 PolarHBondContact O-N 2.88Å; L609-T708 HydrophobicContact CD1-CG2 4.25Å
610	A	95.6	Very high	93.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-56.8	-53.4	179	0	0	0	0	0	111.4	P536 L567 F569 S606 R607 A608 E612 V613 G614	P536-A610 HydrophobicContact CB-CB 3.76Å; P536-A610 HydrophobicContact CG-CB 3.89Å; L567-A610 HydrophobicContact CB-CB 4.26Å; L567-A610 HydrophobicContact CD1-CB 4.26Å; L567-A610 WeakPolarHBondContact CD1-O 3.35Å; F569-A610 HydrophobicContact CE2-CB 3.5Å; F569-A610 VanDerWaalsContact CE2-CB 3.5Å; F569-A610 HydrophobicContact CZ-CB 3.74Å; S606-A610 WeakPolarHBondContact O-CB 3.2Å; S606-A610 PolarHBondContact O-N 3.13Å; R607-A610 PolarHBondContact O-N 3.38Å; A608-A610 VanDerWaalsContact C-N 3.34Å; A608-A610 PolarHBondContact O-N 3.24Å; A610-E612 PolarHBondContact O-N 3.17Å; A610-V613 PolarHBondContact O-N 3.35Å; A610-G614 PolarHBondContact O-N 2.84Å
611	L	96.3	Very high	93.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-68.1	-35.9	-175.5	-65.9	175.8	0	0	0	111.5	L534 P536 R607 A608 L609 S615 Y626 F706	L534-L611 HydrophobicContact CB-CD2 4.05Å; P536-L611 HydrophobicContact CG-CD1 4.47Å; P536-L611 HydrophobicContact CG-CD2 3.55Å; P536-L611 HydrophobicContact CG-CG 3.77Å; R607-L611 HydrophobicContact CG-CD1 4.09Å; R607-L611 WeakPolarHBondContact O-CG 3.39Å; R607-L611 PolarHBondContact O-N 2.99Å; R607-L611 VanDerWaalsContact O-N 3.1Å; A608-L611 PolarHBondContact O-N 3.34Å; L609-L611 PolarHBondContact O-N 3.26Å; L611-S615 WeakPolarHBondContact O-CB 3.16Å; L611-S615 PolarHBondContact O-N 3.48Å; L611-S615 PolarHBondContact O-OG 3.21Å; L611-Y626 HydrophobicContact CD1-CD2 4.33Å; L611-Y626 HydrophobicContact CD1-CG 4.14Å; L611-Y626 HydrophobicContact CD2-CD1 3.82Å; L611-Y626 HydrophobicContact CD2-CE1 4.47Å; L611-Y626 HydrophobicContact CD2-CG 4.07Å; L611-F706 HydrophobicContact CB-CD2 4.06Å; L611-F706 HydrophobicContact CB-CE1 4.48Å; L611-F706 HydrophobicContact CB-CE2 3.51Å; L611-F706 HydrophobicContact CB-CZ 3.75Å; L611-F706 HydrophobicContact CD1-CE1 4.07Å; L611-F706 HydrophobicContact CD1-CE2 4.26Å; L611-F706 HydrophobicContact CD1-CZ 3.6Å; L611-F706 HydrophobicContact CG-CZ 4.33Å
612	E	95.7	Very high	93.9	Very high	37 Å²	37	47.2 Å²	47.2	17%	0.173	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-53.6	174.4	-169.9	56.7	-137.2	0	0	111.2	A608 L609 A610 G614 S615 L616 K697 F706 T708	A608-E612 WeakPolarHBondContact O-CB 3.39Å; A608-E612 PolarHBondContact O-N 3.5Å; L609-E612 PolarHBondContact O-N 2.63Å; A610-E612 PolarHBondContact O-N 3.17Å; E612-G614 PolarHBondContact O-N 3.05Å; E612-S615 WeakPolarHBondContact O-CB 3.33Å; E612-S615 PolarHBondContact O-N 3.03Å; E612-S615 VanDerWaalsContact O-N 3.13Å; E612-L616 PolarHBondContact O-N 2.84Å; E612-K697 IonicContact OE1-NZ 2.62Å; E612-F706 HydrophobicContact CB-CB 4.24Å; E612-F706 HydrophobicContact CB-CD2 4.44Å; E612-F706 PolarHBondContact OE2-N 3.23Å; E612-T708 HydrophobicContact CB-CG2 3.99Å; E612-T708 HydrophobicContact CG-CG2 4.02Å
613	V	94.9	Very high	94.4	Very high	53 Å²	53	43.1 Å²	43.1	32%	0.321	25%	0.252	S	S	.	.	H	α-helix	trans	-60.6	-44.8	179.5	171.5	0	0	0	0	111.1	L609 A610 S615 L616	L609-V613 HydrophobicContact CD1-CG2 3.92Å; L609-V613 HydrophobicContact CG-CG2 4.38Å; L609-V613 WeakPolarHBondContact O-CB 3.35Å; L609-V613 VanDerWaalsContact O-CG2 3.29Å; L609-V613 WeakPolarHBondContact O-CG2 3.37Å; L609-V613 PolarHBondContact O-N 2.88Å; A610-V613 PolarHBondContact O-N 3.35Å; V613-S615 VanDerWaalsContact C-N 3.28Å; V613-S615 PolarHBondContact O-N 3.4Å; V613-L616 WeakPolarHBondContact O-CB 3.47Å; V613-L616 PolarHBondContact O-N 2.62Å
614	G	95.7	Very high	95	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-37.6	177	0	0	0	0	0	112.6	L534 A610 E612 L616 H617 F618	L534-G614 VanDerWaalsContact CD2-C 3.45Å; A610-G614 PolarHBondContact O-N 2.84Å; E612-G614 PolarHBondContact O-N 3.05Å; G614-L616 VanDerWaalsContact C-N 3.27Å; G614-L616 PolarHBondContact O-N 3.33Å; G614-H617 PolarHBondContact O-N 2.86Å; G614-F618 WeakPolarHBondContact O-CD2 3.37Å; G614-F618 WeakPolarHBondContact O-CE2 3.11Å
615	S	96.9	Very high	95.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.7	-25.1	179	-64.9	0	0	0	0	112.9	L611 E612 V613 H617 F618 L624 Y626 K697	L611-S615 WeakPolarHBondContact O-CB 3.16Å; L611-S615 PolarHBondContact O-N 3.48Å; L611-S615 PolarHBondContact O-OG 3.21Å; E612-S615 WeakPolarHBondContact O-CB 3.33Å; E612-S615 PolarHBondContact O-N 3.03Å; E612-S615 VanDerWaalsContact O-N 3.13Å; V613-S615 VanDerWaalsContact C-N 3.28Å; V613-S615 PolarHBondContact O-N 3.4Å; S615-H617 PolarHBondContact O-N 3.22Å; S615-F618 PolarHBondContact O-N 3.4Å; S615-L624 WeakPolarHBondContact OG-CD1 3.49Å; S615-Y626 WeakPolarHBondContact OG-CE1 3.46Å; S615-Y626 PolarHBondContact OG-OH 3.39Å; S615-K697 WeakPolarHBondContact O-CD 3.3Å; S615-K697 WeakPolarHBondContact O-CE 3.35Å
616	L	95.1	Very high	95.8	Very high	114 Å²	114	32.5 Å²	32.5	60%	0.597	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.8	176.8	-67.5	172.3	0	0	0	113.6	E612 V613 G614 F618	E612-L616 PolarHBondContact O-N 2.84Å; V613-L616 WeakPolarHBondContact O-CB 3.47Å; V613-L616 PolarHBondContact O-N 2.62Å; G614-L616 VanDerWaalsContact C-N 3.27Å; G614-L616 PolarHBondContact O-N 3.33Å; L616-F618 PolarHBondContact O-N 3.04Å
617	H	93.9	Very high	96	Very high	94 Å²	94	32.5 Å²	32.5	44%	0.435	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-2.5	176.9	-66.8	-50.7	0	0	0	114.1	K599 G614 S615	K599-H617 VanDerWaalsContact CD-NE2 3.33Å; K599-H617 WeakPolarHBondContact CD-NE2 3.47Å; K599-H617 PolarHBondContact NZ-CE1 3.47Å; K599-H617 PolarHBondContact NZ-ND1 3.41Å; K599-H617 PolarHBondContact NZ-NE2 3.23Å; K599-H617 VanDerWaalsContact NZ-NE2 3.14Å; G614-H617 PolarHBondContact O-N 2.86Å; S615-H617 PolarHBondContact O-N 3.22Å
618	F	96.4	Very high	96.1	Very high	24 Å²	24	33.4 Å²	33.4	11%	0.105	18%	0.182	C	C	.	.	S	Bend	trans	-116.6	147.7	-174.7	-64.4	-79.2	0	0	0	111.6	N532 L534 K563 L565 G614 S615 L616 L624	N532-F618 HydrophobicContact CB-CD1 4.02Å; N532-F618 HydrophobicContact CB-CE1 3.49Å; N532-F618 VanDerWaalsContact CB-CE1 3.49Å; N532-F618 HydrophobicContact CB-CE2 4.39Å; N532-F618 HydrophobicContact CB-CZ 3.7Å; N532-F618 WeakPolarHBondContact OD1-CE1 3.36Å; L534-F618 HydrophobicContact CD1-CD2 4.42Å; L534-F618 HydrophobicContact CD1-CE2 3.78Å; L534-F618 HydrophobicContact CD1-CZ 4.29Å; L534-F618 HydrophobicContact CD2-CE2 4.29Å; L534-F618 HydrophobicContact CG-CE2 4.2Å; K563-F618 HydrophobicContact CD-CE1 3.97Å; K563-F618 HydrophobicContact CD-CZ 4.13Å; L565-F618 HydrophobicContact CD2-CE2 3.81Å; L565-F618 HydrophobicContact CD2-CZ 4.21Å; G614-F618 WeakPolarHBondContact O-CD2 3.37Å; G614-F618 WeakPolarHBondContact O-CE2 3.11Å; S615-F618 PolarHBondContact O-N 3.4Å; L616-F618 PolarHBondContact O-N 3.04Å; F618-L624 HydrophobicContact CB-CD2 3.86Å; F618-L624 HydrophobicContact CD1-CD2 4.24Å; F618-L624 HydrophobicContact CD2-CD2 3.72Å; F618-L624 HydrophobicContact CE2-CD2 4.34Å; F618-L624 HydrophobicContact CG-CD2 3.66Å
619	S	96.2	Very high	96.2	Very high	73 Å²	73	33.6 Å²	33.6	51%	0.51	18%	0.183	S	C	.	.			trans	-71.2	159.9	173.7	70.1	0	0	0	0	111.2	N621 S622 K697	S619-N621 PolarHBondContact O-N 3.21Å; S619-S622 PolarHBondContact N-OG 3.26Å; S619-S622 VanDerWaalsContact O-CB 3.22Å; S619-S622 WeakPolarHBondContact O-CB 3.49Å; S619-S622 PolarHBondContact O-N 2.97Å; S619-S622 PolarHBondContact O-OG 2.68Å; S619-S622 PolarHBondContact OG-OG 3.08Å; S619-K697 WeakPolarHBondContact O-CB 3.49Å
620	N	94.8	Very high	96.1	Very high	92 Å²	92	31.6 Å²	31.6	49%	0.492	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.3	179.2	-70.7	-10.3	0	0	0	113.9	S622 G698	N620-S622 VanDerWaalsContact C-N 3.3Å; N620-S622 PolarHBondContact O-N 2.7Å; N620-G698 PolarHBondContact O-N 3.01Å
621	N	95.3	Very high	96.2	Very high	118 Å²	118	31.7 Å²	31.7	63%	0.631	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	6	-179.6	-62.6	9.2	0	0	0	113	S619 Y696	S619-N621 PolarHBondContact O-N 3.21Å; N621-Y696 WeakPolarHBondContact O-CD1 3.22Å; N621-Y696 VanDerWaalsContact O-CE1 3.28Å; N621-Y696 WeakPolarHBondContact O-CE1 3.15Å
622	S	97.4	Very high	96.2	Very high	22 Å²	22	32.3 Å²	32.3	15%	0.154	18%	0.176	C	C	.	.			trans	-85.6	129.2	179.7	-60.1	0	0	0	0	111.3	S619 N620 Y696 K697	S619-S622 PolarHBondContact N-OG 3.26Å; S619-S622 VanDerWaalsContact O-CB 3.22Å; S619-S622 WeakPolarHBondContact O-CB 3.49Å; S619-S622 PolarHBondContact O-N 2.97Å; S619-S622 PolarHBondContact O-OG 2.68Å; S619-S622 PolarHBondContact OG-OG 3.08Å; N620-S622 VanDerWaalsContact C-N 3.3Å; N620-S622 PolarHBondContact O-N 2.7Å; S622-Y696 WeakPolarHBondContact O-CA 3.26Å; S622-K697 PolarHBondContact O-N 3.47Å
623	L	98.2	Very high	96.3	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	118.7	172.2	177	59.1	0	0	0	109.6	V531 N532 R642 T645 C694 Y696	V531-L623 HydrophobicContact CG2-CD2 3.92Å; N532-L623 WeakPolarHBondContact CB-O 3.15Å; N532-L623 PolarHBondContact N-O 2.91Å; N532-L623 PolarHBondContact ND2-O 3.49Å; L623-R642 HydrophobicContact CD2-CB 4.44Å; L623-R642 HydrophobicContact CD2-CG 3.97Å; L623-T645 HydrophobicContact CD1-CG2 3.6Å; L623-C694 HydrophobicContact CD1-CB 4.44Å; L623-Y696 HydrophobicContact CB-CD1 4.39Å; L623-Y696 HydrophobicContact CB-CE1 4.05Å; L623-Y696 HydrophobicContact CD1-CD2 4.43Å; L623-Y696 HydrophobicContact CD1-CE2 4.33Å
624	L	98.5	Very high	96.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.7	-179.3	-49.6	-175.6	0	0	0	109.7	N532 L534 S615 F618 Y626 C694 V695 K697	N532-L624 HydrophobicContact CB-CD2 3.99Å; N532-L624 CarbonylContact O-C 3.58Å; N532-L624 WeakPolarHBondContact O-CA 3.43Å; L534-L624 HydrophobicContact CD1-CB 4.38Å; L534-L624 HydrophobicContact CD1-CD2 4.14Å; S615-L624 WeakPolarHBondContact OG-CD1 3.49Å; F618-L624 HydrophobicContact CB-CD2 3.86Å; F618-L624 HydrophobicContact CD1-CD2 4.24Å; F618-L624 HydrophobicContact CD2-CD2 3.72Å; F618-L624 HydrophobicContact CE2-CD2 4.34Å; F618-L624 HydrophobicContact CG-CD2 3.66Å; L624-Y626 HydrophobicContact CB-CE1 3.94Å; L624-Y626 HydrophobicContact CD1-CE1 4.04Å; L624-C694 CarbonylContact O-C 3.55Å; L624-C694 VanDerWaalsContact O-CA 3.31Å; L624-C694 WeakPolarHBondContact O-CA 3.4Å; L624-V695 WeakPolarHBondContact CA-O 3.2Å; L624-V695 HydrophobicContact CB-CG1 4.31Å; L624-V695 WeakPolarHBondContact CB-O 3.4Å; L624-V695 PolarHBondContact N-O 2.88Å; L624-V695 PolarHBondContact O-N 3.37Å; L624-K697 HydrophobicContact CD1-CB 3.99Å; L624-K697 HydrophobicContact CD1-CD 4.16Å; L624-K697 HydrophobicContact CG-CB 4.38Å
625	F	98.4	Very high	96.3	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	111.9	170.3	170.9	-140.6	0	0	0	108.9	V531 N532 I533 L534 C627 F633 F637 L638 I692 V693 I739	V531-F625 HydrophobicContact CG1-CB 3.71Å; N532-F625 PolarHBondContact O-N 2.97Å; I533-F625 WeakPolarHBondContact CA-O 3.37Å; I533-F625 HydrophobicContact CB-CD1 4.3Å; I533-F625 HydrophobicContact CD1-CD1 4.29Å; I533-F625 HydrophobicContact CG1-CD1 3.97Å; I533-F625 HydrophobicContact CG2-CD1 3.78Å; I533-F625 HydrophobicContact CG2-CE1 4.18Å; L534-F625 PolarHBondContact N-O 3.03Å; F625-C627 HydrophobicContact CD1-CB 4.08Å; F625-C627 HydrophobicContact CE1-CB 3.63Å; F625-C627 HydrophobicContact CE2-CB 4.23Å; F625-C627 HydrophobicContact CZ-CB 3.69Å; F625-F633 HydrophobicContact CE1-CD1 4.46Å; F625-F637 HydrophobicContact CD1-CE1 4.06Å; F625-F637 HydrophobicContact CD2-CE1 4.18Å; F625-F637 HydrophobicContact CD2-CZ 4.1Å; F625-F637 HydrophobicContact CE1-CD1 4.47Å; F625-F637 AromaticContact CE1-CE1 3.54Å; F625-F637 HydrophobicContact CE1-CE1 3.54Å; F625-F637 HydrophobicContact CE1-CZ 4.26Å; F625-F637 AromaticContact CE2-CE1 3.66Å; F625-F637 HydrophobicContact CE2-CE1 3.66Å; F625-F637 AromaticContact CE2-CZ 3.5Å; F625-F637 HydrophobicContact CE2-CZ 3.5Å; F625-F637 HydrophobicContact CG-CE1 4.39Å; F625-F637 HydrophobicContact CZ-CD1 4.45Å; F625-F637 AromaticContact CZ-CE1 3.33Å; F625-F637 HydrophobicContact CZ-CE1 3.33Å; F625-F637 AromaticContact CZ-CZ 3.62Å; F625-F637 HydrophobicContact CZ-CZ 3.62Å; F625-L638 HydrophobicContact CD1-CD2 4.44Å; F625-I692 HydrophobicContact CE2-CG2 3.56Å; F625-I692 HydrophobicContact CZ-CG2 4.18Å; F625-V693 WeakPolarHBondContact CA-O 3.3Å; F625-I739 HydrophobicContact CE2-CD1 4.36Å; F625-I739 HydrophobicContact CZ-CD1 3.84Å
626	Y	98	Very high	96	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	116.9	175.4	-58.1	-26.8	0	0	0	109.9	L534 L611 S615 L624 V693 V695 L700 F706 L720	L534-Y626 HydrophobicContact CB-CD1 4.19Å; L534-Y626 HydrophobicContact CD2-CD1 4.42Å; L534-Y626 HydrophobicContact CD2-CE1 4.06Å; L611-Y626 HydrophobicContact CD1-CD2 4.33Å; L611-Y626 HydrophobicContact CD1-CG 4.14Å; L611-Y626 HydrophobicContact CD2-CD1 3.82Å; L611-Y626 HydrophobicContact CD2-CE1 4.47Å; L611-Y626 HydrophobicContact CD2-CG 4.07Å; S615-Y626 WeakPolarHBondContact OG-CE1 3.46Å; S615-Y626 PolarHBondContact OG-OH 3.39Å; L624-Y626 HydrophobicContact CB-CE1 3.94Å; L624-Y626 HydrophobicContact CD1-CE1 4.04Å; Y626-V693 HydrophobicContact CD2-CG1 3.28Å; Y626-V693 HydrophobicContact CE2-CG1 4Å; Y626-V693 HydrophobicContact CG-CG1 4.04Å; Y626-V693 PolarHBondContact N-O 3.3Å; Y626-V695 HydrophobicContact CE2-CG1 3.99Å; Y626-L700 HydrophobicContact CE2-CD1 4.22Å; Y626-L700 WeakPolarHBondContact OH-CD2 3.43Å; Y626-F706 AromaticContact CD2-CE2 3.99Å; Y626-F706 HydrophobicContact CD2-CE2 3.99Å; Y626-F706 AromaticContact CD2-CZ 3.62Å; Y626-F706 HydrophobicContact CD2-CZ 3.62Å; Y626-F706 AromaticContact CE2-CE2 3.36Å; Y626-F706 HydrophobicContact CE2-CE2 3.36Å; Y626-F706 AromaticContact CE2-CZ 3.45Å; Y626-F706 HydrophobicContact CE2-CZ 3.45Å; Y626-F706 VanDerWaalsContact CE2-CZ 3.45Å; Y626-F706 AromaticContact CZ-CE2 3.72Å; Y626-L720 HydrophobicContact CE2-CD2 4.34Å
627	C	96.6	Very high	96.1	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.176	C	C	.	.			trans	-130.6	133.8	-166.8	-173.3	0	0	0	0	110	I533 L534 V535 F625	I533-C627 HydrophobicContact CG2-CB 3.68Å; L534-C627 PolarHBondContact O-N 3.14Å; V535-C627 WeakPolarHBondContact CA-O 3.08Å; V535-C627 HydrophobicContact CG2-CB 4.23Å; F625-C627 HydrophobicContact CD1-CB 4.08Å; F625-C627 HydrophobicContact CE1-CB 3.63Å; F625-C627 HydrophobicContact CE2-CB 4.23Å; F625-C627 HydrophobicContact CZ-CB 3.69Å
628	D	95.1	Very high	96.3	Very high	22 Å²	22	26.6 Å²	26.6	12%	0.118	16%	0.155	C	C	.	.			trans	-86.8	148.9	171	-63.8	-21.9	0	0	0	109.8	R607 D630 L631 I692	R607-D628 IonicContact CZ-OD1 3.43Å; R607-D628 VanDerWaalsContact CZ-OD1 3.23Å; R607-D628 IonicContact NE-OD1 3.79Å; R607-D628 PolarHBondContact NE-OD1 3.47Å; R607-D628 IonicContact NE-OD2 2.67Å; R607-D628 IonicContact NH2-OD1 3.11Å; R607-D628 PolarHBondContact NH2-OD1 2.63Å; R607-D628 IonicContact NH2-OD2 3.23Å; D628-D630 WeakPolarHBondContact CB-OD1 3.34Å; D628-D630 PolarHBondContact O-N 3.14Å; D628-L631 HydrophobicContact CB-CD1 4.28Å; D628-L631 HydrophobicContact CB-CG 4.1Å; D628-L631 WeakPolarHBondContact O-CB 3.32Å; D628-L631 WeakPolarHBondContact O-CG 3.38Å; D628-L631 PolarHBondContact O-N 3.28Å; D628-I692 HydrophobicContact CB-CD1 4.37Å
629	V	95.6	Very high	96.2	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.042	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-19.4	-176.7	70.1	0	0	0	0	113.4	V535 L537 I543 F544 F547 L631	V535-V629 HydrophobicContact CG1-CB 3.9Å; V535-V629 HydrophobicContact CG1-CG2 4.38Å; L537-V629 HydrophobicContact CD1-CB 4.3Å; L537-V629 HydrophobicContact CD1-CG1 4.19Å; L537-V629 HydrophobicContact CD1-CG2 4.02Å; I543-V629 HydrophobicContact CG2-CG1 3.98Å; I543-V629 HydrophobicContact CG2-CG2 4.29Å; I543-V629 WeakPolarHBondContact CG2-O 3.48Å; F544-V629 HydrophobicContact CB-CG2 4.08Å; F544-V629 HydrophobicContact CD2-CG2 3.97Å; F547-V629 HydrophobicContact CB-CG2 3.91Å; F547-V629 WeakPolarHBondContact CB-O 3.35Å; F547-V629 HydrophobicContact CG-CG2 4.21Å; V629-L631 VanDerWaalsContact C-N 3.32Å
630	D	94.4	Very high	96.1	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.027	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	6.6	178.6	42.7	25.3	0	0	0	114	R540 I543 D628 H741 V742 H744	R540-D630 IonicContact NH1-OD2 3.61Å; R540-D630 PolarHBondContact NH1-OD2 2.9Å; I543-D630 HydrophobicContact CG2-CB 4.04Å; D628-D630 WeakPolarHBondContact CB-OD1 3.34Å; D628-D630 PolarHBondContact O-N 3.14Å; D630-H741 IonicContact OD1-CD2 3.4Å; D630-H741 IonicContact OD1-NE2 3.55Å; D630-H741 IonicContact OD2-NE2 3.64Å; D630-V742 PolarHBondContact O-N 2.86Å; D630-H744 IonicContact OD2-CD2 2.76Å; D630-H744 PolarHBondContact OD2-CD2 2.51Å; D630-H744 IonicContact OD2-NE2 3.43Å; D630-H744 PolarHBondContact OD2-NE2 3.14Å; D630-H744 VanDerWaalsContact OD2-NE2 3.1Å
631	L	96.5	Very high	96.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	145.5	174.5	-57.6	-179	0	0	0	112.5	D628 V629 I656 I692 I739 V740 H741	D628-L631 HydrophobicContact CB-CD1 4.28Å; D628-L631 HydrophobicContact CB-CG 4.1Å; D628-L631 WeakPolarHBondContact O-CB 3.32Å; D628-L631 WeakPolarHBondContact O-CG 3.38Å; D628-L631 PolarHBondContact O-N 3.28Å; V629-L631 VanDerWaalsContact C-N 3.32Å; L631-I656 HydrophobicContact CD2-CD1 3.94Å; L631-I692 HydrophobicContact CD1-CD1 3.53Å; L631-I692 HydrophobicContact CD1-CG1 3.86Å; L631-I692 HydrophobicContact CD1-CG2 4.22Å; L631-I739 HydrophobicContact CD1-CD1 4.09Å; L631-V740 CarbonylContact C-O 3.53Å; L631-V740 WeakPolarHBondContact CA-O 3.46Å; L631-H741 HydrophobicContact CD2-CB 3.57Å
632	L	96.8	Very high	96.1	Very high	14 Å²	14	22.9 Å²	22.9	7%	0.073	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.2	159.9	-63.4	175.8	0	0	0	108	R546 N550 H675 I739 V740 V742	R546-L632 HydrophobicContact CG-CD2 4.33Å; N550-L632 HydrophobicContact CB-CD2 3.59Å; L632-H675 HydrophobicContact CD1-CB 3.71Å; L632-H675 VanDerWaalsContact CD1-CD2 3.48Å; L632-H675 WeakPolarHBondContact CD1-CD2 3.44Å; L632-I739 CarbonylContact O-C 3.46Å; L632-I739 WeakPolarHBondContact O-CA 3.43Å; L632-V740 PolarHBondContact N-O 3.29Å; L632-V740 PolarHBondContact O-N 3.14Å; L632-V742 HydrophobicContact CD1-CG2 3.53Å; L632-V742 HydrophobicContact CG-CG2 3.66Å
633	F	97.3	Very high	96	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	171.6	175.3	56.9	-92.6	0	0	0	111.7	I533 F547 N550 F551 V554 F625 F637 L638 Y676 G738 I739	I533-F633 HydrophobicContact CD1-CE2 4.35Å; I533-F633 HydrophobicContact CD1-CZ 3.98Å; F547-F633 AromaticContact CE2-CE1 3.89Å; F547-F633 HydrophobicContact CE2-CE1 3.89Å; F547-F633 HydrophobicContact CZ-CE1 4.3Å; N550-F633 PolarHBondContact ND2-O 2.8Å; N550-F633 VanDerWaalsContact ND2-O 3.08Å; N550-F633 PolarHBondContact OD1-N 3.02Å; N550-F633 PolarHBondContact OD1-O 2.86Å; F551-F633 HydrophobicContact CD2-CZ 4.15Å; V554-F633 HydrophobicContact CB-CE2 4.44Å; V554-F633 HydrophobicContact CG1-CD2 4.12Å; V554-F633 HydrophobicContact CG1-CE2 4.09Å; V554-F633 WeakPolarHBondContact CG2-O 3.32Å; F625-F633 HydrophobicContact CE1-CD1 4.46Å; F633-F637 HydrophobicContact CB-CD1 3.86Å; F633-F637 HydrophobicContact CB-CG 4.36Å; F633-F637 HydrophobicContact CG-CD1 4.46Å; F633-L638 HydrophobicContact CD2-CD1 4.27Å; F633-L638 HydrophobicContact CD2-CD2 4.41Å; F633-L638 HydrophobicContact CD2-CG 4.23Å; F633-L638 HydrophobicContact CE2-CD1 4.08Å; F633-L638 HydrophobicContact CE2-CD2 4.48Å; F633-L638 HydrophobicContact CE2-CG 4.44Å; F633-Y676 VanDerWaalsContact C-OH 3.31Å; F633-Y676 PolarHBondContact O-OH 2.96Å; F633-G738 CarbonylContact C-O 3.54Å; F633-G738 VanDerWaalsContact CA-O 3.23Å; F633-G738 WeakPolarHBondContact CA-O 3.31Å; F633-I739 HydrophobicContact CB-CB 4.49Å; F633-I739 HydrophobicContact CB-CG1 4.35Å
634	S	95.9	Very high	95.8	Very high	21 Å²	21	27.7 Å²	27.7	15%	0.147	15%	0.145	C	C	.	.			trans	-122.8	166.8	-178.6	60.7	0	0	0	0	111.2	D636 F637 L638 G738	S634-D636 PolarHBondContact O-N 3.4Å; S634-F637 WeakPolarHBondContact O-CB 3.24Å; S634-F637 PolarHBondContact O-N 2.97Å; S634-F637 PolarHBondContact OG-N 3.2Å; S634-L638 PolarHBondContact O-N 3.46Å; S634-G738 PolarHBondContact N-O 2.7Å; S634-G738 WeakPolarHBondContact OG-CA 3.46Å; S634-G738 PolarHBondContact OG-O 3.17Å
635	S	95.1	Very high	95.7	Very high	61 Å²	61	28 Å²	28	43%	0.427	15%	0.147	S	C	.	.	H	α-helix	trans	-60.6	-36.2	173.1	51.5	0	0	0	0	111.9	F637 L638 K639	S635-F637 VanDerWaalsContact C-N 3.32Å; S635-F637 PolarHBondContact O-N 3.03Å; S635-L638 PolarHBondContact O-N 3.17Å; S635-K639 PolarHBondContact O-N 3.45Å
636	D	91.6	Very high	95.5	Very high	95 Å²	95	29.6 Å²	29.6	51%	0.508	16%	0.16	S	C	.	.	H	α-helix	trans	-65.5	-36.1	179.2	-67.4	-20	0	0	0	112.2	S634 K639 R640	S634-D636 PolarHBondContact O-N 3.4Å; D636-K639 PolarHBondContact O-N 3Å; D636-R640 PolarHBondContact O-N 3.38Å
637	F	96.5	Very high	95.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.3	-45.8	172.3	169	-98	0	0	0	111.2	F625 F633 S634 S635 K639 R640 C641 Y652 P654 D736 G738 I739	F625-F637 HydrophobicContact CD1-CE1 4.06Å; F625-F637 HydrophobicContact CD2-CE1 4.18Å; F625-F637 HydrophobicContact CD2-CZ 4.1Å; F625-F637 HydrophobicContact CE1-CD1 4.47Å; F625-F637 AromaticContact CE1-CE1 3.54Å; F625-F637 HydrophobicContact CE1-CE1 3.54Å; F625-F637 HydrophobicContact CE1-CZ 4.26Å; F625-F637 AromaticContact CE2-CE1 3.66Å; F625-F637 HydrophobicContact CE2-CE1 3.66Å; F625-F637 AromaticContact CE2-CZ 3.5Å; F625-F637 HydrophobicContact CE2-CZ 3.5Å; F625-F637 HydrophobicContact CG-CE1 4.39Å; F625-F637 HydrophobicContact CZ-CD1 4.45Å; F625-F637 AromaticContact CZ-CE1 3.33Å; F625-F637 HydrophobicContact CZ-CE1 3.33Å; F625-F637 AromaticContact CZ-CZ 3.62Å; F625-F637 HydrophobicContact CZ-CZ 3.62Å; F633-F637 HydrophobicContact CB-CD1 3.86Å; F633-F637 HydrophobicContact CB-CG 4.36Å; F633-F637 HydrophobicContact CG-CD1 4.46Å; S634-F637 WeakPolarHBondContact O-CB 3.24Å; S634-F637 PolarHBondContact O-N 2.97Å; S634-F637 PolarHBondContact OG-N 3.2Å; S635-F637 VanDerWaalsContact C-N 3.32Å; S635-F637 PolarHBondContact O-N 3.03Å; F637-K639 VanDerWaalsContact C-N 3.29Å; F637-K639 PolarHBondContact O-N 2.75Å; F637-R640 CarbonylContact O-C 3.57Å; F637-R640 PolarHBondContact O-N 2.96Å; F637-R640 VanDerWaalsContact O-N 3.14Å; F637-C641 WeakPolarHBondContact O-CB 3.43Å; F637-C641 PolarHBondContact O-N 3.27Å; F637-Y652 HydrophobicContact CE2-CE1 4.42Å; F637-P654 HydrophobicContact CE2-CB 4.07Å; F637-P654 HydrophobicContact CE2-CG 3.93Å; F637-P654 HydrophobicContact CZ-CG 4.35Å; F637-D736 WeakPolarHBondContact CD2-OD2 3.46Å; F637-G738 WeakPolarHBondContact CB-O 3.32Å; F637-I739 HydrophobicContact CD1-CD1 4.29Å; F637-I739 HydrophobicContact CD2-CB 3.81Å; F637-I739 HydrophobicContact CD2-CD1 4.19Å; F637-I739 HydrophobicContact CD2-CG2 3.75Å; F637-I739 HydrophobicContact CE1-CD1 3.88Å; F637-I739 HydrophobicContact CE2-CB 4.16Å; F637-I739 HydrophobicContact CE2-CD1 3.76Å; F637-I739 HydrophobicContact CE2-CG2 3.93Å; F637-I739 HydrophobicContact CG-CB 4.08Å; F637-I739 HydrophobicContact CG-CD1 4.44Å; F637-I739 HydrophobicContact CG-CG2 4.5Å; F637-I739 HydrophobicContact CZ-CD1 3.59Å
638	L	97.1	Very high	95.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.4	-34.5	177.8	-65.2	174.7	0	0	0	112.1	V531 I533 V554 L560 V562 F625 F633 S634 S635 C641 R642	V531-L638 HydrophobicContact CG1-CD2 4.19Å; I533-L638 HydrophobicContact CD1-CD2 4.32Å; V554-L638 HydrophobicContact CG1-CD1 4.29Å; L560-L638 HydrophobicContact CD1-CD1 3.93Å; V562-L638 HydrophobicContact CG1-CD1 4.1Å; F625-L638 HydrophobicContact CD1-CD2 4.44Å; F633-L638 HydrophobicContact CD2-CD1 4.27Å; F633-L638 HydrophobicContact CD2-CD2 4.41Å; F633-L638 HydrophobicContact CD2-CG 4.23Å; F633-L638 HydrophobicContact CE2-CD1 4.08Å; F633-L638 HydrophobicContact CE2-CD2 4.48Å; F633-L638 HydrophobicContact CE2-CG 4.44Å; S634-L638 PolarHBondContact O-N 3.46Å; S635-L638 PolarHBondContact O-N 3.17Å; L638-C641 WeakPolarHBondContact O-CB 3.19Å; L638-C641 PolarHBondContact O-N 3.35Å; L638-R642 WeakPolarHBondContact O-CG 3.35Å; L638-R642 PolarHBondContact O-N 2.92Å; L638-R642 PolarHBondContact O-NH1 3.47Å
639	K	94.6	Very high	94.9	Very high	136 Å²	136	39.8 Å²	39.8	59%	0.591	22%	0.216	S	C	*	.	H	α-helix	trans	-62.1	-47.8	170.9	-172.6	175.5	-179.6	177	0	111.1	S635 D636 F637 C641 R642 T643	S635-K639 PolarHBondContact O-N 3.45Å; D636-K639 PolarHBondContact O-N 3Å; F637-K639 VanDerWaalsContact C-N 3.29Å; F637-K639 PolarHBondContact O-N 2.75Å; K639-C641 VanDerWaalsContact C-N 3.32Å; K639-C641 PolarHBondContact O-N 2.88Å; K639-R642 WeakPolarHBondContact O-CB 3.3Å; K639-R642 PolarHBondContact O-N 2.97Å; K639-R642 VanDerWaalsContact O-N 3.11Å; K639-T643 HydrophobicContact CG-CG2 4.45Å; K639-T643 WeakPolarHBondContact O-CG2 3.49Å; K639-T643 PolarHBondContact O-N 2.76Å; K639-T643 PolarHBondContact O-OG1 2.99Å
640	R	94.4	Very high	94.9	Very high	68 Å²	68	40.8 Å²	40.8	26%	0.257	22%	0.221	S	C	.	.	H	α-helix	trans	-63.6	-35.3	176.4	-76.4	-173.7	-68	-86.8	1.3	113.2	D636 F637 R642 T643 N644 Y652 D736	D636-R640 PolarHBondContact O-N 3.38Å; F637-R640 CarbonylContact O-C 3.57Å; F637-R640 PolarHBondContact O-N 2.96Å; F637-R640 VanDerWaalsContact O-N 3.14Å; R640-R642 VanDerWaalsContact C-N 3.25Å; R640-R642 PolarHBondContact O-N 3.04Å; R640-T643 WeakPolarHBondContact CA-OG1 3.47Å; R640-T643 PolarHBondContact O-N 3.11Å; R640-T643 PolarHBondContact O-OG1 3.3Å; R640-N644 WeakPolarHBondContact O-CB 3.24Å; R640-N644 VanDerWaalsContact O-CG 3.31Å; R640-N644 PolarHBondContact O-N 3.4Å; R640-N644 PolarHBondContact O-ND2 2.8Å; R640-Y652 HydrophobicContact CB-CE1 4.38Å; R640-D736 IonicContact CZ-OD1 3.66Å; R640-D736 IonicContact CZ-OD2 2.67Å; R640-D736 VanDerWaalsContact NE-CG 3.35Å; R640-D736 IonicContact NE-OD1 2.91Å; R640-D736 PolarHBondContact NE-OD1 3.21Å; R640-D736 IonicContact NE-OD2 2.73Å; R640-D736 PolarHBondContact NE-OD2 3.1Å; R640-D736 IonicContact NH2-OD1 3.87Å; R640-D736 PolarHBondContact NH2-OD1 3.08Å; R640-D736 IonicContact NH2-OD2 2.71Å
641	C	96.3	Very high	95	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-56.3	-41.6	172.3	-174.4	0	0	0	0	111.5	F637 L638 K639 T645 C694	F637-C641 WeakPolarHBondContact O-CB 3.43Å; F637-C641 PolarHBondContact O-N 3.27Å; L638-C641 WeakPolarHBondContact O-CB 3.19Å; L638-C641 PolarHBondContact O-N 3.35Å; K639-C641 VanDerWaalsContact C-N 3.32Å; K639-C641 PolarHBondContact O-N 2.88Å; C641-T645 WeakPolarHBondContact O-CB 3.31Å; C641-T645 PolarHBondContact O-OG1 3.36Å; C641-C694 HydrophobicContact CB-CB 4.06Å; C641-C694 WeakPolarHBondContact CB-SG 3.48Å; C641-C694 WeakPolarHBondContact SG-CB 3.41Å; C641-C694 CovalentContact SG-SG 2.03Å; C641-C694 PolarHBondContact SG-SG 3.12Å
642	R	95	Very high	95.1	Very high	25 Å²	25	40.7 Å²	40.7	9%	0.094	22%	0.22	C	C	.	.	H	α-helix	trans	-72.7	-49	176	-63.4	177.4	-175	107.8	-6.4	112.5	E528 S529 V531 N561 L623 L638 K639 R640 N644	E528-R642 VanDerWaalsContact CD-CZ 3.4Å; E528-R642 IonicContact OE1-CZ 2.72Å; E528-R642 IonicContact OE1-NE 2.74Å; E528-R642 PolarHBondContact OE1-NE 2.96Å; E528-R642 IonicContact OE1-NH1 3.34Å; E528-R642 PolarHBondContact OE1-NH1 3.39Å; E528-R642 IonicContact OE1-NH2 2.7Å; E528-R642 IonicContact OE2-CZ 3.44Å; E528-R642 IonicContact OE2-NH2 3.16Å; S529-R642 WeakPolarHBondContact O-CD 3.4Å; S529-R642 PolarHBondContact O-NE 2.84Å; V531-R642 HydrophobicContact CG2-CG 3.68Å; N561-R642 PolarHBondContact O-NH2 2.74Å; L623-R642 HydrophobicContact CD2-CB 4.44Å; L623-R642 HydrophobicContact CD2-CG 3.97Å; L638-R642 WeakPolarHBondContact O-CG 3.35Å; L638-R642 PolarHBondContact O-N 2.92Å; L638-R642 PolarHBondContact O-NH1 3.47Å; K639-R642 WeakPolarHBondContact O-CB 3.3Å; K639-R642 PolarHBondContact O-N 2.97Å; K639-R642 VanDerWaalsContact O-N 3.11Å; R640-R642 VanDerWaalsContact C-N 3.25Å; R640-R642 PolarHBondContact O-N 3.04Å; R642-N644 VanDerWaalsContact C-N 3.33Å; R642-N644 PolarHBondContact O-N 2.87Å
643	T	93.3	Very high	95.1	Very high	93 Å²	93	40 Å²	40	57%	0.571	22%	0.216	S	C	*	.	H	α-helix	trans	-72.5	-26.9	-173.1	59.7	0	0	0	0	113.2	K639 R640	K639-T643 HydrophobicContact CG-CG2 4.45Å; K639-T643 WeakPolarHBondContact O-CG2 3.49Å; K639-T643 PolarHBondContact O-N 2.76Å; K639-T643 PolarHBondContact O-OG1 2.99Å; R640-T643 WeakPolarHBondContact CA-OG1 3.47Å; R640-T643 PolarHBondContact O-N 3.11Å; R640-T643 PolarHBondContact O-OG1 3.3Å
644	N	95.3	Very high	95.1	Very high	32 Å²	32	40.2 Å²	40.2	17%	0.171	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	4.6	-176	-60	-28.1	0	0	0	113.5	R640 R642 Q650 Y652 F732	R640-N644 WeakPolarHBondContact O-CB 3.24Å; R640-N644 VanDerWaalsContact O-CG 3.31Å; R640-N644 PolarHBondContact O-N 3.4Å; R640-N644 PolarHBondContact O-ND2 2.8Å; R642-N644 VanDerWaalsContact C-N 3.33Å; R642-N644 PolarHBondContact O-N 2.87Å; N644-Q650 PolarHBondContact O-NE2 3.19Å; N644-Y652 HydrophobicContact CB-CD1 4.08Å; N644-Y652 HydrophobicContact CB-CD2 4.04Å; N644-Y652 HydrophobicContact CB-CG 3.75Å; N644-F732 HydrophobicContact CB-CD1 3.76Å; N644-F732 HydrophobicContact CB-CE1 4.12Å
645	T	96.3	Very high	95	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.043	22%	0.216	C	C	.	.			trans	-119.8	123.3	177.7	-46	0	0	0	0	109.3	L623 C641 Q650 C694 Y696	L623-T645 HydrophobicContact CD1-CG2 3.6Å; C641-T645 WeakPolarHBondContact O-CB 3.31Å; C641-T645 PolarHBondContact O-OG1 3.36Å; T645-Q650 WeakPolarHBondContact CA-O 3.38Å; T645-Q650 WeakPolarHBondContact CG2-O 3.36Å; T645-C694 WeakPolarHBondContact CG2-O 3.3Å; T645-C694 WeakPolarHBondContact OG1-CB 3.23Å; T645-C694 PolarHBondContact OG1-O 3.09Å; T645-Y696 HydrophobicContact CG2-CD2 3.76Å; T645-Y696 HydrophobicContact CG2-CE2 4Å
646	A	93.9	Very high	94.9	Very high	33 Å²	33	37.8 Å²	37.8	27%	0.273	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-128.5	122.7	-178.1	0	0	0	0	0	109.7	G648 E649 Q650	A646-G648 PolarHBondContact O-N 3.38Å; A646-E649 HydrophobicContact CB-CB 4.05Å; A646-E649 PolarHBondContact O-N 2.75Å; A646-Q650 HydrophobicContact CB-CB 4.21Å; A646-Q650 PolarHBondContact N-O 2.82Å; A646-Q650 PolarHBondContact O-N 2.69Å
647	L	93.9	Very high	94.9	Very high	74 Å²	74	33.3 Å²	33.3	39%	0.387	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	124.4	-176.9	175.3	65.3	0	0	0	110.4	E649 Y696 D699	L647-E649 PolarHBondContact O-N 2.87Å; L647-Y696 VanDerWaalsContact CA-CD2 3.47Å; L647-Y696 HydrophobicContact CB-CD1 4.09Å; L647-Y696 HydrophobicContact CB-CD2 3.69Å; L647-Y696 HydrophobicContact CB-CE1 4.29Å; L647-Y696 HydrophobicContact CB-CE2 3.93Å; L647-Y696 HydrophobicContact CB-CG 3.78Å; L647-Y696 VanDerWaalsContact CD1-CB 3.46Å; L647-Y696 HydrophobicContact CD1-CD1 4.09Å; L647-Y696 HydrophobicContact CD1-CD2 4.42Å; L647-Y696 HydrophobicContact CD1-CG 3.75Å; L647-Y696 HydrophobicContact CG-CG 4.33Å; L647-Y696 VanDerWaalsContact N-CD2 3.34Å; L647-Y696 VanDerWaalsContact N-CE2 3.35Å; L647-D699 WeakPolarHBondContact CA-OD2 3.31Å
648	G	92	Very high	94.7	Very high	29 Å²	29	34 Å²	34	30%	0.299	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	-13.4	179.1	0	0	0	0	0	114.2	A646 D699 R702	A646-G648 PolarHBondContact O-N 3.38Å; G648-D699 WeakPolarHBondContact CA-OD1 3.33Å; G648-D699 VanDerWaalsContact N-CG 3.3Å; G648-D699 PolarHBondContact N-OD1 3.14Å; G648-D699 PolarHBondContact N-OD2 3.45Å; G648-R702 PolarHBondContact O-NH1 3.11Å; G648-R702 PolarHBondContact O-NH2 3.07Å
649	E	91	Very high	94.5	Very high	134 Å²	134	35.3 Å²	35.3	63%	0.626	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.5	-51.1	-166.9	-66.8	-175.2	173.4	0	0	113	A646 L647 K730	A646-E649 HydrophobicContact CB-CB 4.05Å; A646-E649 PolarHBondContact O-N 2.75Å; L647-E649 PolarHBondContact O-N 2.87Å; E649-K730 VanDerWaalsContact O-CB 3.28Å; E649-K730 WeakPolarHBondContact O-CB 3.22Å; E649-K730 PolarHBondContact O-N 3.3Å
650	Q	95.7	Very high	94.4	Very high	29 Å²	29	30 Å²	30	14%	0.136	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	133.2	-169.4	-170.8	172.8	-88.2	0	0	113.6	N644 T645 A646 K730 F732	N644-Q650 PolarHBondContact O-NE2 3.19Å; T645-Q650 WeakPolarHBondContact CA-O 3.38Å; T645-Q650 WeakPolarHBondContact CG2-O 3.36Å; A646-Q650 HydrophobicContact CB-CB 4.21Å; A646-Q650 PolarHBondContact N-O 2.82Å; A646-Q650 PolarHBondContact O-N 2.69Å; Q650-K730 VanDerWaalsContact CA-O 3.25Å; Q650-K730 WeakPolarHBondContact CA-O 3.45Å; Q650-K730 HydrophobicContact CB-CB 4.29Å; Q650-K730 HydrophobicContact CG-CB 4.27Å; Q650-K730 HydrophobicContact CG-CG 4.34Å; Q650-K730 WeakPolarHBondContact CG-O 3.21Å; Q650-K730 VanDerWaalsContact OE1-CE 3.24Å; Q650-F732 HydrophobicContact CG-CB 4.01Å
651	A	97.5	Very high	94.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.7	169.1	0	0	0	0	0	111	F653 V695 F724 I729 K730 L731 F732	A651-F653 HydrophobicContact CB-CD2 4.34Å; A651-F653 HydrophobicContact CB-CE2 3.81Å; A651-V695 HydrophobicContact CB-CG2 4.26Å; A651-F724 HydrophobicContact CB-CD1 4.11Å; A651-F724 HydrophobicContact CB-CE1 3.91Å; A651-I729 HydrophobicContact CB-CG2 4.15Å; A651-K730 PolarHBondContact N-O 2.86Å; A651-L731 HydrophobicContact CB-CD2 4.4Å; A651-F732 PolarHBondContact O-N 2.92Å
652	Y	98.1	Very high	93.8	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116	-178.4	178.3	-137.9	0	0	0	112.4	F637 R640 N644 P654 V693 C694 F732 D736	F637-Y652 HydrophobicContact CE2-CE1 4.42Å; R640-Y652 HydrophobicContact CB-CE1 4.38Å; N644-Y652 HydrophobicContact CB-CD1 4.08Å; N644-Y652 HydrophobicContact CB-CD2 4.04Å; N644-Y652 HydrophobicContact CB-CG 3.75Å; Y652-P654 HydrophobicContact CE1-CB 4Å; Y652-P654 HydrophobicContact CE1-CG 4.41Å; Y652-P654 HydrophobicContact CE2-CB 4.33Å; Y652-P654 VanDerWaalsContact O-CD 3.3Å; Y652-P654 WeakPolarHBondContact O-CD 3.43Å; Y652-V693 WeakPolarHBondContact O-CA 3.34Å; Y652-V693 WeakPolarHBondContact O-CG2 3.38Å; Y652-C694 HydrophobicContact CD1-CB 4.36Å; Y652-C694 PolarHBondContact N-O 3.03Å; Y652-C694 PolarHBondContact O-N 2.92Å; Y652-F732 HydrophobicContact CD2-CB 4.42Å; Y652-F732 AromaticContact CD2-CD1 3.37Å; Y652-F732 HydrophobicContact CD2-CD1 3.37Å; Y652-F732 HydrophobicContact CD2-CE1 4.05Å; Y652-F732 HydrophobicContact CD2-CG 4.31Å; Y652-F732 WeakPolarHBondContact CD2-O 3.06Å; Y652-F732 AromaticContact CE2-CD1 3.57Å; Y652-F732 HydrophobicContact CE2-CD1 3.57Å; Y652-F732 AromaticContact CE2-CE1 3.76Å; Y652-F732 HydrophobicContact CE2-CE1 3.76Å; Y652-F732 HydrophobicContact CG-CD1 4.35Å; Y652-D736 WeakPolarHBondContact OH-CB 3.36Å; Y652-D736 PolarHBondContact OH-OD2 2.64Å
653	F	97.3	Very high	93.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.			trans	-110.7	89.9	176.4	-71.2	-99.7	0	0	0	110	A651 F690 V693 Y721 F724 L731 F732 R733	A651-F653 HydrophobicContact CB-CD2 4.34Å; A651-F653 HydrophobicContact CB-CE2 3.81Å; F653-F690 HydrophobicContact CD1-CB 4.49Å; F653-V693 HydrophobicContact CD1-CB 3.79Å; F653-V693 HydrophobicContact CD1-CG2 3.74Å; F653-V693 HydrophobicContact CD2-CG2 3.93Å; F653-V693 HydrophobicContact CE1-CB 3.81Å; F653-V693 HydrophobicContact CE1-CG1 4.41Å; F653-V693 HydrophobicContact CE1-CG2 3.59Å; F653-V693 HydrophobicContact CE2-CG2 3.76Å; F653-V693 HydrophobicContact CG-CB 4.31Å; F653-V693 HydrophobicContact CG-CG2 3.92Å; F653-V693 HydrophobicContact CZ-CB 4.33Å; F653-V693 HydrophobicContact CZ-CG2 3.61Å; F653-Y721 AromaticContact CD1-CD2 3.86Å; F653-Y721 HydrophobicContact CD1-CD2 3.86Å; F653-Y721 HydrophobicContact CD1-CE2 4.4Å; F653-Y721 HydrophobicContact CD2-CD2 4.42Å; F653-Y721 HydrophobicContact CD2-CE2 4.42Å; F653-Y721 AromaticContact CE1-CD2 3.77Å; F653-Y721 HydrophobicContact CE1-CD2 3.77Å; F653-Y721 HydrophobicContact CE2-CD2 4.36Å; F653-Y721 HydrophobicContact CG-CD2 4.19Å; F653-Y721 HydrophobicContact CG-CE2 4.29Å; F653-Y721 HydrophobicContact CZ-CD2 4.03Å; F653-F724 HydrophobicContact CE2-CG 4.35Å; F653-F724 HydrophobicContact CZ-CB 4.38Å; F653-F724 HydrophobicContact CZ-CD2 4.04Å; F653-F724 HydrophobicContact CZ-CG 4.13Å; F653-L731 HydrophobicContact CD2-CD2 4.42Å; F653-L731 HydrophobicContact CE2-CD2 3.87Å; F653-F732 PolarHBondContact N-O 3.32Å; F653-R733 HydrophobicContact CB-CG 3.75Å; F653-R733 WeakPolarHBondContact O-CA 3.41Å; F653-R733 WeakPolarHBondContact O-CG 3.5Å
654	P	96.3	Very high	93.1	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.026	18%	0.18	C	C	.	.			trans	-62.7	140.5	-179.1	26.6	-37.4	0	0	0	112.7	F637 Y652 I656 I692 D736	F637-P654 HydrophobicContact CE2-CB 4.07Å; F637-P654 HydrophobicContact CE2-CG 3.93Å; F637-P654 HydrophobicContact CZ-CG 4.35Å; Y652-P654 HydrophobicContact CE1-CB 4Å; Y652-P654 HydrophobicContact CE1-CG 4.41Å; Y652-P654 HydrophobicContact CE2-CB 4.33Å; Y652-P654 VanDerWaalsContact O-CD 3.3Å; Y652-P654 WeakPolarHBondContact O-CD 3.43Å; P654-I656 HydrophobicContact CB-CG2 4.28Å; P654-I656 HydrophobicContact CG-CG2 4.35Å; P654-I692 WeakPolarHBondContact CD-O 3.41Å; P654-I692 HydrophobicContact CG-CB 4.44Å; P654-I692 HydrophobicContact CG-CG2 3.91Å; P654-D736 HydrophobicContact CB-CB 4.07Å
655	I	93.1	Very high	92.6	Very high	23 Å²	23	33.3 Å²	33.3	12%	0.118	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	104.3	167.7	-59.8	169.2	0	0	0	107	W685 T687 R733 S734 T735 D736	I655-W685 HydrophobicContact CG2-CB 4.12Å; I655-W685 HydrophobicContact CG2-CE3 4.49Å; I655-W685 WeakPolarHBondContact O-CZ3 3.39Å; I655-T687 HydrophobicContact CG2-CG2 4.22Å; I655-R733 HydrophobicContact CD1-CB 4.48Å; I655-S734 PolarHBondContact N-O 3.22Å; I655-T735 HydrophobicContact CB-CG2 4.26Å; I655-T735 HydrophobicContact CG2-CG2 4.07Å; I655-T735 WeakPolarHBondContact O-CA 3.37Å; I655-D736 PolarHBondContact O-N 2.82Å
656	I	93.3	Very high	91.9	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.041	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	156	-173.7	74.2	-178.3	0	0	0	112.1	L631 P654 R686 I692 I739 H741	L631-I656 HydrophobicContact CD2-CD1 3.94Å; P654-I656 HydrophobicContact CB-CG2 4.28Å; P654-I656 HydrophobicContact CG-CG2 4.35Å; I656-R686 HydrophobicContact CG1-CB 4.38Å; I656-R686 HydrophobicContact CG1-CG 4.34Å; I656-R686 PolarHBondContact O-N 3.34Å; I656-I692 HydrophobicContact CD1-CG1 3.91Å; I656-I692 HydrophobicContact CG2-CB 4.42Å; I656-I692 HydrophobicContact CG2-CG2 4.32Å; I656-I739 HydrophobicContact CB-CG2 4.11Å; I656-I739 HydrophobicContact CG2-CB 4.48Å; I656-I739 HydrophobicContact CG2-CD1 4.2Å; I656-I739 HydrophobicContact CG2-CG1 4.15Å; I656-I739 HydrophobicContact CG2-CG2 3.57Å; I656-H741 HydrophobicContact CD1-CB 3.88Å
657	F	92.4	Very high	91	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.8	172.6	-166.8	-101.8	0	0	0	111	Q659 F678 G683 W685 V740 H741	F657-Q659 HydrophobicContact CD1-CG 4.47Å; F657-Q659 HydrophobicContact CE1-CG 4.48Å; F657-F678 HydrophobicContact CB-CD1 3.85Å; F657-F678 HydrophobicContact CB-CE1 3.77Å; F657-F678 AromaticContact CD1-CD1 3.62Å; F657-F678 HydrophobicContact CD1-CD1 3.62Å; F657-F678 HydrophobicContact CD1-CE1 4Å; F657-F678 AromaticContact CD2-CD1 3.78Å; F657-F678 HydrophobicContact CD2-CD1 3.78Å; F657-F678 HydrophobicContact CE1-CD1 4.02Å; F657-F678 HydrophobicContact CE2-CB 4.28Å; F657-F678 HydrophobicContact CE2-CD1 4.18Å; F657-F678 AromaticContact CG-CD1 3.47Å; F657-F678 HydrophobicContact CG-CD1 3.47Å; F657-F678 VanDerWaalsContact CG-CD1 3.47Å; F657-F678 AromaticContact CG-CE1 3.88Å; F657-F678 HydrophobicContact CG-CE1 3.88Å; F657-F678 HydrophobicContact CZ-CB 4.5Å; F657-F678 HydrophobicContact CZ-CD1 4.28Å; F657-G683 VanDerWaalsContact CZ-C 3.41Å; F657-W685 HydrophobicContact CB-CD2 4.31Å; F657-W685 HydrophobicContact CB-CE3 3.88Å; F657-W685 HydrophobicContact CB-CH2 3.93Å; F657-W685 HydrophobicContact CB-CZ2 4.35Å; F657-W685 HydrophobicContact CB-CZ3 3.69Å; F657-W685 AromaticContact CD2-CD2 3.78Å; F657-W685 HydrophobicContact CD2-CD2 3.78Å; F657-W685 AromaticContact CD2-CE2 3.64Å; F657-W685 HydrophobicContact CD2-CE3 4.23Å; F657-W685 HydrophobicContact CD2-CG 4.11Å; F657-W685 HydrophobicContact CD2-CH2 4.41Å; F657-W685 AromaticContact CD2-CZ2 3.98Å; F657-W685 HydrophobicContact CD2-CZ2 3.98Å; F657-W685 AromaticContact CD2-NE1 3.9Å; F657-V740 CarbonylContact O-C 3.5Å; F657-V740 WeakPolarHBondContact O-CA 3.37Å; F657-H741 PolarHBondContact O-N 3.08Å
658	S	92.1	Very high	89.6	Confident	14 Å²	14	38.9 Å²	38.9	10%	0.098	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.7	174.3	-87	0	0	0	0	111.4	G683 L684 R686	S658-G683 CarbonylContact O-C 3.59Å; S658-G683 WeakPolarHBondContact O-CA 3.49Å; S658-L684 PolarHBondContact N-O 3.3Å; S658-L684 PolarHBondContact O-N 3.23Å; S658-R686 WeakPolarHBondContact OG-CD 3.38Å; S658-R686 VanDerWaalsContact OG-CG 3.27Å; S658-R686 WeakPolarHBondContact OG-CG 3.15Å
659	Q	92.6	Very high	88.6	Confident	27 Å²	27	45.3 Å²	45.3	13%	0.126	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	147.3	177.3	-63.1	-173.7	-34.8	0	0	112.2	F657 H675 T682 V740 H741 H743	F657-Q659 HydrophobicContact CD1-CG 4.47Å; F657-Q659 HydrophobicContact CE1-CG 4.48Å; Q659-H675 VanDerWaalsContact NE2-CA 3.29Å; Q659-H675 PolarHBondContact NE2-ND1 2.75Å; Q659-H675 PolarHBondContact NE2-O 2.67Å; Q659-H675 VanDerWaalsContact NE2-O 3.11Å; Q659-H675 PolarHBondContact OE1-ND1 3.31Å; Q659-T682 WeakPolarHBondContact CA-O 3.34Å; Q659-V740 HydrophobicContact CG-CG1 3.92Å; Q659-H741 PolarHBondContact N-O 2.92Å; Q659-H743 HydrophobicContact CB-CB 4.16Å
660	Y	92.1	Very high	87.5	Confident	26 Å²	26	45.4 Å²	45.4	10%	0.102	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-79.9	169.8	170.6	-67	-39.4	0	0	0	112.7	P662 S680 T682 L684 H743 S766 S767	Y660-P662 WeakPolarHBondContact O-CD 3.33Å; Y660-P662 VanDerWaalsContact O-N 3.15Å; Y660-S680 WeakPolarHBondContact CE2-O 3.25Å; Y660-T682 PolarHBondContact N-O 3.45Å; Y660-L684 HydrophobicContact CE1-CB 4.39Å; Y660-L684 HydrophobicContact CE1-CD2 3.77Å; Y660-L684 HydrophobicContact CE1-CG 4.2Å; Y660-H743 VanDerWaalsContact O-CB 3.29Å; Y660-H743 WeakPolarHBondContact O-CB 3.34Å; Y660-S766 WeakPolarHBondContact CE1-O 3.3Å; Y660-S767 CarbonylContact C-O 3.58Å; Y660-S767 VanDerWaalsContact CA-O 3.24Å; Y660-S767 WeakPolarHBondContact CA-O 3.47Å
661	D	90.4	Very high	86.4	Confident	29 Å²	29	46.9 Å²	46.9	16%	0.155	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-57.2	116.5	175.4	-172.2	-24.4	0	0	0	109.9	K663 V664 V665 H743 S767	D661-K663 PolarHBondContact O-N 3.44Å; D661-K663 VanDerWaalsContact OD1-CB 3.27Å; D661-K663 WeakPolarHBondContact OD1-CB 3.43Å; D661-K663 WeakPolarHBondContact OD1-CG 3.42Å; D661-K663 PolarHBondContact OD1-N 2.81Å; D661-V664 HydrophobicContact CB-CB 4.49Å; D661-V664 HydrophobicContact CB-CG2 4.25Å; D661-V664 PolarHBondContact O-N 3.1Å; D661-V665 WeakPolarHBondContact O-CG2 3.21Å; D661-V665 PolarHBondContact O-N 2.85Å; D661-H743 PolarHBondContact N-ND1 3.29Å; D661-S767 PolarHBondContact N-O 3.11Å
662	P	88.4	Confident	85.2	Confident	47 Å²	47	49.6 Å²	49.6	31%	0.305	29%	0.285	S	S	.	.	H	α-helix	trans	-58.2	-25.2	-179	23.6	-33.7	0	0	0	112.5	Y660 V664 V665 Y666 P671	Y660-P662 WeakPolarHBondContact O-CD 3.33Å; Y660-P662 VanDerWaalsContact O-N 3.15Å; P662-V664 VanDerWaalsContact C-N 3.3Å; P662-V664 PolarHBondContact O-N 2.99Å; P662-V665 PolarHBondContact O-N 2.77Å; P662-Y666 HydrophobicContact CB-CD2 3.83Å; P662-Y666 HydrophobicContact CB-CE2 4.06Å; P662-Y666 WeakPolarHBondContact O-CB 3.33Å; P662-Y666 VanDerWaalsContact O-CD2 3.27Å; P662-Y666 WeakPolarHBondContact O-CD2 3.1Å; P662-Y666 PolarHBondContact O-N 3.15Å; P662-P671 HydrophobicContact CB-CB 4.43Å; P662-P671 HydrophobicContact CB-CG 4.07Å
663	K	86.3	Confident	84.1	Confident	163 Å²	163	56.9 Å²	56.9	71%	0.709	32%	0.324	S	S	*	.	H	α-helix	trans	-64.4	-36.3	175.4	-63.4	178.7	-179.7	179.7	0	112.1	D661 S667	D661-K663 PolarHBondContact O-N 3.44Å; D661-K663 VanDerWaalsContact OD1-CB 3.27Å; D661-K663 WeakPolarHBondContact OD1-CB 3.43Å; D661-K663 WeakPolarHBondContact OD1-CG 3.42Å; D661-K663 PolarHBondContact OD1-N 2.81Å; K663-S667 PolarHBondContact O-N 2.79Å
664	V	86.5	Confident	83.4	Confident	23 Å²	23	60.8 Å²	60.8	14%	0.139	35%	0.345	C	S	.	.	H	α-helix	trans	-79.4	-44	176.3	174.6	0	0	0	0	110.4	D661 P662 Y666 Y768 Q773 L774 L777	D661-V664 HydrophobicContact CB-CB 4.49Å; D661-V664 HydrophobicContact CB-CG2 4.25Å; D661-V664 PolarHBondContact O-N 3.1Å; P662-V664 VanDerWaalsContact C-N 3.3Å; P662-V664 PolarHBondContact O-N 2.99Å; V664-Y666 PolarHBondContact O-N 3.3Å; V664-Y768 WeakPolarHBondContact CB-O 3.13Å; V664-Y768 WeakPolarHBondContact CG1-O 3.3Å; V664-Y768 WeakPolarHBondContact CG2-O 3.45Å; V664-Q773 HydrophobicContact CG1-CB 4.13Å; V664-L774 HydrophobicContact CG1-CD2 4.34Å; V664-L777 HydrophobicContact CG1-CD1 3.83Å; V664-L777 HydrophobicContact CG2-CD1 4.3Å
665	V	84.6	Confident	82.9	Confident	24 Å²	24	62.8 Å²	62.8	15%	0.145	35%	0.354	C	S	.	.	H	α-helix	trans	-64.6	-43.2	-176.3	179.1	0	0	0	0	112.5	D661 P662 K681 T682	D661-V665 WeakPolarHBondContact O-CG2 3.21Å; D661-V665 PolarHBondContact O-N 2.85Å; P662-V665 PolarHBondContact O-N 2.77Å; V665-K681 WeakPolarHBondContact CG1-O 3.28Å; V665-K681 VanDerWaalsContact CG2-O 3.26Å; V665-K681 WeakPolarHBondContact CG2-O 3.48Å; V665-T682 HydrophobicContact CG1-CG2 4.16Å
666	Y	82	Confident	82.5	Confident	58 Å²	58	65.4 Å²	65.4	23%	0.227	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	1.9	-172.9	-59.1	-72.3	0	0	0	113.4	P662 V664 G668 K669 P671	P662-Y666 HydrophobicContact CB-CD2 3.83Å; P662-Y666 HydrophobicContact CB-CE2 4.06Å; P662-Y666 WeakPolarHBondContact O-CB 3.33Å; P662-Y666 VanDerWaalsContact O-CD2 3.27Å; P662-Y666 WeakPolarHBondContact O-CD2 3.1Å; P662-Y666 PolarHBondContact O-N 3.15Å; V664-Y666 PolarHBondContact O-N 3.3Å; Y666-G668 PolarHBondContact O-N 2.88Å; Y666-G668 VanDerWaalsContact O-N 3.11Å; Y666-K669 WeakPolarHBondContact CB-O 3.27Å; Y666-K669 WeakPolarHBondContact O-CB 3.41Å; Y666-K669 WeakPolarHBondContact O-CG 3.32Å; Y666-K669 PolarHBondContact O-N 3.04Å; Y666-P671 HydrophobicContact CD2-CB 3.78Å; Y666-P671 HydrophobicContact CD2-CG 4.05Å; Y666-P671 HydrophobicContact CE2-CB 3.63Å; Y666-P671 HydrophobicContact CE2-CG 4.37Å
667	S	74.4	Confident	81.8	Confident	100 Å²	100	67.5 Å²	67.5	70%	0.699	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	39.5	-179.3	-49.3	0	0	0	0	112.9	K663	K663-S667 PolarHBondContact O-N 2.79Å
668	G	65.2	Low	81.3	Confident	73 Å²	73	70.7 Å²	70.7	75%	0.753	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	0.9	-176.8	0	0	0	0	0	116.3	Y666	Y666-G668 PolarHBondContact O-N 2.88Å; Y666-G668 VanDerWaalsContact O-N 3.11Å
669	K	71.4	Confident	80.7	Confident	165 Å²	165	73 Å²	73	72%	0.717	40%	0.404	S	S	*	.	S	Bend	trans	-76.6	161.4	170.5	-61.3	177.6	179.9	175.8	0	111.3	Y666 P671	Y666-K669 WeakPolarHBondContact CB-O 3.27Å; Y666-K669 WeakPolarHBondContact O-CB 3.41Å; Y666-K669 WeakPolarHBondContact O-CG 3.32Å; Y666-K669 PolarHBondContact O-N 3.04Å; K669-P671 WeakPolarHBondContact O-CD 3.44Å
670	V	67.9	Low	79.7	Confident	135 Å²	135	72.6 Å²	72.6	82%	0.818	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-59.5	121.9	179.6	-176.6	0	0	0	0	109.8
671	P	73.1	Confident	79.1	Confident	60 Å²	60	76 Å²	76	39%	0.39	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-59.6	144.8	176.3	-23.8	34.2	0	0	0	111.8	P662 Y666 K669	P662-P671 HydrophobicContact CB-CB 4.43Å; P662-P671 HydrophobicContact CB-CG 4.07Å; Y666-P671 HydrophobicContact CD2-CB 3.78Å; Y666-P671 HydrophobicContact CD2-CG 4.05Å; Y666-P671 HydrophobicContact CE2-CB 3.63Å; Y666-P671 HydrophobicContact CE2-CG 4.37Å; K669-P671 WeakPolarHBondContact O-CD 3.44Å
672	S	71	Confident	78.7	Confident	57 Å²	57	75.5 Å²	75.5	40%	0.399	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-64.9	136	168.3	179.1	0	0	0	0	110.2	N674	S672-N674 PolarHBondContact O-N 2.94Å; S672-N674 PolarHBondContact OG-N 3.49Å; S672-N674 VanDerWaalsContact OG-N 3.14Å
673	N	75.3	Confident	78.7	Confident	156 Å²	156	73.4 Å²	73.4	83%	0.834	40%	0.404	S	S	*	.	S	Bend	trans	-73.4	-8.8	171.4	-73	-11.9	0	0	0	112.7	H675	N673-H675 PolarHBondContact O-N 3.19Å
674	N	83.1	Confident	78.8	Confident	82 Å²	82	67.3 Å²	67.3	44%	0.439	38%	0.379	S	S	.	.			trans	-86.7	105.7	176.2	-174.8	5.6	0	0	0	110.7	S672 Y676 V677	S672-N674 PolarHBondContact O-N 2.94Å; S672-N674 PolarHBondContact OG-N 3.49Å; S672-N674 VanDerWaalsContact OG-N 3.14Å; N674-Y676 VanDerWaalsContact C-N 3.33Å; N674-Y676 PolarHBondContact OD1-N 3.44Å; N674-V677 HydrophobicContact CB-CG2 4.2Å
675	H	86.1	Confident	78.8	Confident	46 Å²	46	69.7 Å²	69.7	21%	0.213	39%	0.386	C	S	.	.			trans	-80	-10.7	178.7	-67.3	-86.3	0	0	0	114.5	L632 Q659 N673 V677 V740	L632-H675 HydrophobicContact CD1-CB 3.71Å; L632-H675 VanDerWaalsContact CD1-CD2 3.48Å; L632-H675 WeakPolarHBondContact CD1-CD2 3.44Å; Q659-H675 VanDerWaalsContact NE2-CA 3.29Å; Q659-H675 PolarHBondContact NE2-ND1 2.75Å; Q659-H675 PolarHBondContact NE2-O 2.67Å; Q659-H675 VanDerWaalsContact NE2-O 3.11Å; Q659-H675 PolarHBondContact OE1-ND1 3.31Å; N673-H675 PolarHBondContact O-N 3.19Å; H675-V677 VanDerWaalsContact C-N 3.28Å; H675-V677 PolarHBondContact O-N 3.15Å; H675-V740 HydrophobicContact CB-CG1 4.46Å
676	Y	83.8	Confident	78.7	Confident	78 Å²	78	70 Å²	70	31%	0.306	39%	0.385	S	S	.	.			trans	-92.8	30.1	-176.5	-64.4	-89.1	0	0	0	113	F633 N674 F678 T737 V740	F633-Y676 VanDerWaalsContact C-OH 3.31Å; F633-Y676 PolarHBondContact O-OH 2.96Å; N674-Y676 VanDerWaalsContact C-N 3.33Å; N674-Y676 PolarHBondContact OD1-N 3.44Å; Y676-F678 AromaticContact CD1-CZ 3.94Å; Y676-F678 HydrophobicContact CD1-CZ 3.94Å; Y676-T737 WeakPolarHBondContact CD1-O 3.36Å; Y676-V740 HydrophobicContact CD1-CG2 3.86Å; Y676-V740 HydrophobicContact CE1-CG2 3.89Å; Y676-V740 HydrophobicContact CG-CG2 4.5Å
677	V	78.6	Confident	78.7	Confident	53 Å²	53	71.6 Å²	71.6	32%	0.321	40%	0.4	S	S	.	.			trans	-97.3	102.5	176.2	-179.2	0	0	0	0	109.3	N674 H675 T679 T682	N674-V677 HydrophobicContact CB-CG2 4.2Å; H675-V677 VanDerWaalsContact C-N 3.28Å; H675-V677 PolarHBondContact O-N 3.15Å; V677-T679 HydrophobicContact CG1-CG2 4.08Å; V677-T679 PolarHBondContact O-N 3.37Å; V677-T682 HydrophobicContact CG1-CG2 4.25Å; V677-T682 PolarHBondContact O-OG1 3.15Å
678	F	82.6	Confident	78.9	Confident	68 Å²	68	71.6 Å²	71.6	30%	0.298	39%	0.386	S	S	.	.			trans	-95.8	94	-174.4	-50.9	-56.6	0	0	0	111.3	F657 Y676 W685 T737 V740	F657-F678 HydrophobicContact CB-CD1 3.85Å; F657-F678 HydrophobicContact CB-CE1 3.77Å; F657-F678 AromaticContact CD1-CD1 3.62Å; F657-F678 HydrophobicContact CD1-CD1 3.62Å; F657-F678 HydrophobicContact CD1-CE1 4Å; F657-F678 AromaticContact CD2-CD1 3.78Å; F657-F678 HydrophobicContact CD2-CD1 3.78Å; F657-F678 HydrophobicContact CE1-CD1 4.02Å; F657-F678 HydrophobicContact CE2-CB 4.28Å; F657-F678 HydrophobicContact CE2-CD1 4.18Å; F657-F678 AromaticContact CG-CD1 3.47Å; F657-F678 HydrophobicContact CG-CD1 3.47Å; F657-F678 VanDerWaalsContact CG-CD1 3.47Å; F657-F678 AromaticContact CG-CE1 3.88Å; F657-F678 HydrophobicContact CG-CE1 3.88Å; F657-F678 HydrophobicContact CZ-CB 4.5Å; F657-F678 HydrophobicContact CZ-CD1 4.28Å; Y676-F678 AromaticContact CD1-CZ 3.94Å; Y676-F678 HydrophobicContact CD1-CZ 3.94Å; F678-W685 HydrophobicContact CB-CZ2 4.24Å; F678-W685 HydrophobicContact CD1-CH2 4.19Å; F678-W685 HydrophobicContact CD1-CZ2 4.02Å; F678-W685 HydrophobicContact CD2-CZ2 4.43Å; F678-W685 HydrophobicContact CE1-CH2 4.23Å; F678-W685 HydrophobicContact CG-CH2 4.42Å; F678-W685 AromaticContact CG-CZ2 3.96Å; F678-W685 HydrophobicContact CG-CZ2 3.96Å; F678-T737 HydrophobicContact CD2-CG2 4.28Å; F678-T737 HydrophobicContact CE2-CG2 3.95Å; F678-T737 VanDerWaalsContact CZ-O 3.3Å; F678-T737 WeakPolarHBondContact CZ-O 3Å; F678-V740 HydrophobicContact CE1-CG2 3.81Å; F678-V740 HydrophobicContact CZ-CG2 4.16Å
679	T	78.6	Confident	79.7	Confident	62 Å²	62	68.8 Å²	68.8	38%	0.38	36%	0.356	S	S	.	.			trans	-135.8	160.8	175.5	71.5	0	0	0	0	109.9	V677 K681 T682 G683	V677-T679 HydrophobicContact CG1-CG2 4.08Å; V677-T679 PolarHBondContact O-N 3.37Å; T679-K681 PolarHBondContact O-N 2.97Å; T679-K681 PolarHBondContact OG1-N 3.38Å; T679-T682 PolarHBondContact N-OG1 2.04Å; T679-T682 PolarHBondContact O-N 2.82Å; T679-T682 PolarHBondContact O-OG1 2.96Å; T679-T682 VanDerWaalsContact O-OG1 3.14Å; T679-T682 WeakPolarHBondContact OG1-CB 3.35Å; T679-T682 WeakPolarHBondContact OG1-CG2 3.35Å; T679-T682 PolarHBondContact OG1-N 2.62Å; T679-T682 VanDerWaalsContact OG1-N 3.16Å; T679-T682 PolarHBondContact OG1-OG1 3.15Å; T679-G683 PolarHBondContact O-N 3.41Å
680	S	73.2	Confident	80.7	Confident	19 Å²	19	62.5 Å²	62.5	13%	0.133	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.5	172.1	60.5	0	0	0	0	114.4	D386 Y660 S770	D386-S680 WeakPolarHBondContact CB-OG 3.17Å; D386-S680 WeakPolarHBondContact O-CB 3.5Å; Y660-S680 WeakPolarHBondContact CE2-O 3.25Å; S680-S770 VanDerWaalsContact O-CB 3.31Å; S680-S770 WeakPolarHBondContact O-CB 3.24Å
681	K	78.6	Confident	81.8	Confident	98 Å²	98	56.6 Å²	56.6	43%	0.426	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-23.6	-179.8	-65.8	-172.4	178.8	-173	0	112.6	V665 T679 Q773	V665-K681 WeakPolarHBondContact CG1-O 3.28Å; V665-K681 VanDerWaalsContact CG2-O 3.26Å; V665-K681 WeakPolarHBondContact CG2-O 3.48Å; T679-K681 PolarHBondContact O-N 2.97Å; T679-K681 PolarHBondContact OG1-N 3.38Å; K681-Q773 PolarHBondContact O-NE2 2.96Å; K681-Q773 PolarHBondContact O-OE1 3.4Å
682	T	83	Confident	82.9	Confident	18 Å²	18	54.2 Å²	54.2	11%	0.11	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-19.6	-174.4	52.6	0	0	0	0	113	Q659 Y660 V665 V677 T679	Q659-T682 WeakPolarHBondContact CA-O 3.34Å; Y660-T682 PolarHBondContact N-O 3.45Å; V665-T682 HydrophobicContact CG1-CG2 4.16Å; V677-T682 HydrophobicContact CG1-CG2 4.25Å; V677-T682 PolarHBondContact O-OG1 3.15Å; T679-T682 PolarHBondContact N-OG1 2.04Å; T679-T682 PolarHBondContact O-N 2.82Å; T679-T682 PolarHBondContact O-OG1 2.96Å; T679-T682 VanDerWaalsContact O-OG1 3.14Å; T679-T682 WeakPolarHBondContact OG1-CB 3.35Å; T679-T682 WeakPolarHBondContact OG1-CG2 3.35Å; T679-T682 PolarHBondContact OG1-N 2.62Å; T679-T682 VanDerWaalsContact OG1-N 3.16Å; T679-T682 PolarHBondContact OG1-OG1 3.15Å
683	G	88	Confident	84.1	Confident	3 Å²	3	51.5 Å²	51.5	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.3	-164.8	179.8	0	0	0	0	0	114.2	F657 S658 T679	F657-G683 VanDerWaalsContact CZ-C 3.41Å; S658-G683 CarbonylContact O-C 3.59Å; S658-G683 WeakPolarHBondContact O-CA 3.49Å; T679-G683 PolarHBondContact O-N 3.41Å
684	L	87.9	Confident	85.2	Confident	36 Å²	36	44.1 Å²	44.1	19%	0.188	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.8	177.8	68.2	83.2	0	0	0	112.4	S658 Y660 R686 Y688	S658-L684 PolarHBondContact N-O 3.3Å; S658-L684 PolarHBondContact O-N 3.23Å; Y660-L684 HydrophobicContact CE1-CB 4.39Å; Y660-L684 HydrophobicContact CE1-CD2 3.77Å; Y660-L684 HydrophobicContact CE1-CG 4.2Å; L684-R686 HydrophobicContact CD1-CG 3.98Å; L684-Y688 HydrophobicContact CD1-CE1 4.2Å
685	W	86.8	Confident	85.9	Confident	73 Å²	73	40.2 Å²	40.2	28%	0.277	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	119.8	168.9	-67.6	104.8	0	0	0	110.5	I655 F657 F678 T687 T735 D736 T737	I655-W685 HydrophobicContact CG2-CB 4.12Å; I655-W685 HydrophobicContact CG2-CE3 4.49Å; I655-W685 WeakPolarHBondContact O-CZ3 3.39Å; F657-W685 HydrophobicContact CB-CD2 4.31Å; F657-W685 HydrophobicContact CB-CE3 3.88Å; F657-W685 HydrophobicContact CB-CH2 3.93Å; F657-W685 HydrophobicContact CB-CZ2 4.35Å; F657-W685 HydrophobicContact CB-CZ3 3.69Å; F657-W685 AromaticContact CD2-CD2 3.78Å; F657-W685 HydrophobicContact CD2-CD2 3.78Å; F657-W685 AromaticContact CD2-CE2 3.64Å; F657-W685 HydrophobicContact CD2-CE3 4.23Å; F657-W685 HydrophobicContact CD2-CG 4.11Å; F657-W685 HydrophobicContact CD2-CH2 4.41Å; F657-W685 AromaticContact CD2-CZ2 3.98Å; F657-W685 HydrophobicContact CD2-CZ2 3.98Å; F657-W685 AromaticContact CD2-NE1 3.9Å; F678-W685 HydrophobicContact CB-CZ2 4.24Å; F678-W685 HydrophobicContact CD1-CH2 4.19Å; F678-W685 HydrophobicContact CD1-CZ2 4.02Å; F678-W685 HydrophobicContact CD2-CZ2 4.43Å; F678-W685 HydrophobicContact CE1-CH2 4.23Å; F678-W685 HydrophobicContact CG-CH2 4.42Å; F678-W685 AromaticContact CG-CZ2 3.96Å; F678-W685 HydrophobicContact CG-CZ2 3.96Å; W685-T687 VanDerWaalsContact C-N 3.33Å; W685-T687 PolarHBondContact O-N 3.43Å; W685-T735 HydrophobicContact CD2-CG2 4.03Å; W685-T735 HydrophobicContact CE3-CG2 4.09Å; W685-T735 HydrophobicContact CG-CG2 4.24Å; W685-D736 WeakPolarHBondContact CZ3-O 3.43Å; W685-T737 HydrophobicContact CH2-CG2 4.01Å; W685-T737 HydrophobicContact CZ2-CG2 4.35Å
686	R	82.9	Confident	86.5	Confident	31 Å²	31	39.7 Å²	39.7	12%	0.117	20%	0.196	C	C	.	.			trans	-78.4	74.6	-176.5	-64	-170.5	91.2	166.3	-6.9	112.3	I656 S658 L684 Y688 G689	I656-R686 HydrophobicContact CG1-CB 4.38Å; I656-R686 HydrophobicContact CG1-CG 4.34Å; I656-R686 PolarHBondContact O-N 3.34Å; S658-R686 WeakPolarHBondContact OG-CD 3.38Å; S658-R686 VanDerWaalsContact OG-CG 3.27Å; S658-R686 WeakPolarHBondContact OG-CG 3.15Å; L684-R686 HydrophobicContact CD1-CG 3.98Å; R686-Y688 PolarHBondContact O-N 2.88Å; R686-Y688 VanDerWaalsContact O-N 3.15Å; R686-G689 PolarHBondContact O-N 3.03Å
687	T	81.9	Confident	87.2	Confident	91 Å²	91	36.3 Å²	36.3	56%	0.558	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.1	177.6	54.6	0	0	0	0	113.6	I655 W685 R733	I655-T687 HydrophobicContact CG2-CG2 4.22Å; W685-T687 VanDerWaalsContact C-N 3.33Å; W685-T687 PolarHBondContact O-N 3.43Å; T687-R733 PolarHBondContact O-NH2 2.93Å
688	Y	77.9	Confident	88	Confident	100 Å²	100	34.6 Å²	34.6	39%	0.392	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	0.7	-179.2	55.9	-90.5	0	0	0	114.7	L684 R686 F690 S766	L684-Y688 HydrophobicContact CD1-CE1 4.2Å; R686-Y688 PolarHBondContact O-N 2.88Å; R686-Y688 VanDerWaalsContact O-N 3.15Å; Y688-F690 WeakPolarHBondContact O-CD2 3.35Å; Y688-F690 VanDerWaalsContact O-CE2 3.28Å; Y688-F690 WeakPolarHBondContact O-CE2 3.44Å; Y688-S766 PolarHBondContact OH-OG 3.22Å; Y688-S766 VanDerWaalsContact OH-OG 3.12Å
689	G	82.8	Confident	88.7	Confident	13 Å²	13	31.6 Å²	31.6	13%	0.134	16%	0.163	C	C	.	.			trans	-91.7	137.9	175.9	0	0	0	0	0	112	R686 R733	R686-G689 PolarHBondContact O-N 3.03Å; G689-R733 PolarHBondContact O-NH1 3.47Å; G689-R733 PolarHBondContact O-NH2 2.85Å
690	F	92.4	Very high	89.6	Confident	34 Å²	34	28.6 Å²	28.6	15%	0.149	15%	0.145	C	C	.	.			trans	-127.1	-5.1	178.9	-53	-79.9	0	0	0	113.2	F653 Y688 I692 D717 V718 Y721	F653-F690 HydrophobicContact CD1-CB 4.49Å; Y688-F690 WeakPolarHBondContact O-CD2 3.35Å; Y688-F690 VanDerWaalsContact O-CE2 3.28Å; Y688-F690 WeakPolarHBondContact O-CE2 3.44Å; F690-I692 PolarHBondContact O-N 3.31Å; F690-D717 HydrophobicContact CB-CB 4.02Å; F690-D717 PolarHBondContact N-OD2 3.17Å; F690-D717 VanDerWaalsContact N-OD2 3.13Å; F690-V718 HydrophobicContact CD2-CG2 4.11Å; F690-V718 HydrophobicContact CE2-CG2 4.46Å; F690-Y721 HydrophobicContact CB-CD2 4.39Å; F690-Y721 HydrophobicContact CB-CG 4.35Å; F690-Y721 AromaticContact CD1-CD1 3.91Å; F690-Y721 HydrophobicContact CD1-CD1 3.91Å; F690-Y721 AromaticContact CD1-CD2 3.3Å; F690-Y721 HydrophobicContact CD1-CD2 3.3Å; F690-Y721 HydrophobicContact CD1-CE1 4.22Å; F690-Y721 AromaticContact CD1-CE2 3.65Å; F690-Y721 HydrophobicContact CD1-CE2 3.65Å; F690-Y721 AromaticContact CD1-CG 3.42Å; F690-Y721 HydrophobicContact CD1-CG 3.42Å; F690-Y721 VanDerWaalsContact CD1-CG 3.42Å; F690-Y721 AromaticContact CE1-CD1 3.8Å; F690-Y721 HydrophobicContact CE1-CD1 3.8Å; F690-Y721 AromaticContact CE1-CD2 3.83Å; F690-Y721 HydrophobicContact CE1-CD2 3.83Å; F690-Y721 AromaticContact CE1-CE1 3.77Å; F690-Y721 HydrophobicContact CE1-CE1 3.77Å; F690-Y721 AromaticContact CE1-CE2 3.79Å; F690-Y721 HydrophobicContact CE1-CE2 3.79Å; F690-Y721 AromaticContact CE1-CG 3.82Å; F690-Y721 HydrophobicContact CE1-CG 3.82Å; F690-Y721 AromaticContact CE1-CZ 3.75Å; F690-Y721 HydrophobicContact CG-CD1 4.48Å; F690-Y721 HydrophobicContact CG-CD2 4.07Å; F690-Y721 AromaticContact CG-CG 3.89Å; F690-Y721 HydrophobicContact CG-CG 3.89Å; F690-Y721 HydrophobicContact CZ-CD1 4.28Å; F690-Y721 HydrophobicContact CZ-CE1 4.35Å
691	G	90	Very high	90.7	Very high	11 Å²	11	31.5 Å²	31.5	11%	0.113	16%	0.162	C	C	.	.	S	Bend	trans	-67.8	-19.1	-172.2	0	0	0	0	0	114.9	R607 D717	R607-G691 PolarHBondContact NH2-O 2.87Å; G691-D717 VanDerWaalsContact N-CB 3.29Å; G691-D717 PolarHBondContact N-OD2 3.35Å; G691-D717 VanDerWaalsContact N-OD2 3.14Å
692	I	96.1	Very high	91.5	Very high	9 Å²	9	32.4 Å²	32.4	5%	0.046	16%	0.163	C	C	.	.			trans	-102.3	117.4	179.4	-52	-45.1	0	0	0	107.8	F625 D628 L631 P654 I656 F690 I739	F625-I692 HydrophobicContact CE2-CG2 3.56Å; F625-I692 HydrophobicContact CZ-CG2 4.18Å; D628-I692 HydrophobicContact CB-CD1 4.37Å; L631-I692 HydrophobicContact CD1-CD1 3.53Å; L631-I692 HydrophobicContact CD1-CG1 3.86Å; L631-I692 HydrophobicContact CD1-CG2 4.22Å; P654-I692 WeakPolarHBondContact CD-O 3.41Å; P654-I692 HydrophobicContact CG-CB 4.44Å; P654-I692 HydrophobicContact CG-CG2 3.91Å; I656-I692 HydrophobicContact CD1-CG1 3.91Å; I656-I692 HydrophobicContact CG2-CB 4.42Å; I656-I692 HydrophobicContact CG2-CG2 4.32Å; F690-I692 PolarHBondContact O-N 3.31Å; I692-I739 HydrophobicContact CG2-CD1 3.88Å
693	V	97.3	Very high	92.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	143.2	-172.8	56.6	0	0	0	0	111.2	F625 Y626 Y652 F653 V695	F625-V693 WeakPolarHBondContact CA-O 3.3Å; Y626-V693 HydrophobicContact CD2-CG1 3.28Å; Y626-V693 HydrophobicContact CE2-CG1 4Å; Y626-V693 HydrophobicContact CG-CG1 4.04Å; Y626-V693 PolarHBondContact N-O 3.3Å; Y652-V693 WeakPolarHBondContact O-CA 3.34Å; Y652-V693 WeakPolarHBondContact O-CG2 3.38Å; F653-V693 HydrophobicContact CD1-CB 3.79Å; F653-V693 HydrophobicContact CD1-CG2 3.74Å; F653-V693 HydrophobicContact CD2-CG2 3.93Å; F653-V693 HydrophobicContact CE1-CB 3.81Å; F653-V693 HydrophobicContact CE1-CG1 4.41Å; F653-V693 HydrophobicContact CE1-CG2 3.59Å; F653-V693 HydrophobicContact CE2-CG2 3.76Å; F653-V693 HydrophobicContact CG-CB 4.31Å; F653-V693 HydrophobicContact CG-CG2 3.92Å; F653-V693 HydrophobicContact CZ-CB 4.33Å; F653-V693 HydrophobicContact CZ-CG2 3.61Å; V693-V695 HydrophobicContact CG2-CB 4.14Å
694	C	98.3	Very high	92.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.4	165.4	-66.7	0	0	0	0	109.5	L623 L624 C641 T645 Y652	L623-C694 HydrophobicContact CD1-CB 4.44Å; L624-C694 CarbonylContact O-C 3.55Å; L624-C694 VanDerWaalsContact O-CA 3.31Å; L624-C694 WeakPolarHBondContact O-CA 3.4Å; C641-C694 HydrophobicContact CB-CB 4.06Å; C641-C694 WeakPolarHBondContact CB-SG 3.48Å; C641-C694 WeakPolarHBondContact SG-CB 3.41Å; C641-C694 CovalentContact SG-SG 2.03Å; C641-C694 PolarHBondContact SG-SG 3.12Å; T645-C694 WeakPolarHBondContact CG2-O 3.3Å; T645-C694 WeakPolarHBondContact OG1-CB 3.23Å; T645-C694 PolarHBondContact OG1-O 3.09Å; Y652-C694 HydrophobicContact CD1-CB 4.36Å; Y652-C694 PolarHBondContact N-O 3.03Å; Y652-C694 PolarHBondContact O-N 2.92Å
695	V	97.9	Very high	92.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	143.8	-169.5	67.3	0	0	0	0	111.2	L624 Y626 A651 V693 D699 F724	L624-V695 WeakPolarHBondContact CA-O 3.2Å; L624-V695 HydrophobicContact CB-CG1 4.31Å; L624-V695 WeakPolarHBondContact CB-O 3.4Å; L624-V695 PolarHBondContact N-O 2.88Å; L624-V695 PolarHBondContact O-N 3.37Å; Y626-V695 HydrophobicContact CE2-CG1 3.99Å; A651-V695 HydrophobicContact CB-CG2 4.26Å; V693-V695 HydrophobicContact CG2-CB 4.14Å; V695-D699 HydrophobicContact CG2-CB 4.13Å; V695-F724 HydrophobicContact CG2-CE1 3.94Å; V695-F724 HydrophobicContact CG2-CE2 4.3Å; V695-F724 HydrophobicContact CG2-CZ 3.43Å; V695-F724 VanDerWaalsContact CG2-CZ 3.43Å
696	Y	98.1	Very high	93.2	Very high	35 Å²	35	30.1 Å²	30.1	14%	0.137	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	143.2	168.7	-79.7	-85.4	0	0	0	111.6	N621 S622 L623 T645 L647 G698 D699 L700	N621-Y696 WeakPolarHBondContact O-CD1 3.22Å; N621-Y696 VanDerWaalsContact O-CE1 3.28Å; N621-Y696 WeakPolarHBondContact O-CE1 3.15Å; S622-Y696 WeakPolarHBondContact O-CA 3.26Å; L623-Y696 HydrophobicContact CB-CD1 4.39Å; L623-Y696 HydrophobicContact CB-CE1 4.05Å; L623-Y696 HydrophobicContact CD1-CD2 4.43Å; L623-Y696 HydrophobicContact CD1-CE2 4.33Å; T645-Y696 HydrophobicContact CG2-CD2 3.76Å; T645-Y696 HydrophobicContact CG2-CE2 4Å; L647-Y696 VanDerWaalsContact CA-CD2 3.47Å; L647-Y696 HydrophobicContact CB-CD1 4.09Å; L647-Y696 HydrophobicContact CB-CD2 3.69Å; L647-Y696 HydrophobicContact CB-CE1 4.29Å; L647-Y696 HydrophobicContact CB-CE2 3.93Å; L647-Y696 HydrophobicContact CB-CG 3.78Å; L647-Y696 VanDerWaalsContact CD1-CB 3.46Å; L647-Y696 HydrophobicContact CD1-CD1 4.09Å; L647-Y696 HydrophobicContact CD1-CD2 4.42Å; L647-Y696 HydrophobicContact CD1-CG 3.75Å; L647-Y696 HydrophobicContact CG-CG 4.33Å; L647-Y696 VanDerWaalsContact N-CD2 3.34Å; L647-Y696 VanDerWaalsContact N-CE2 3.35Å; Y696-G698 VanDerWaalsContact C-N 3.26Å; Y696-G698 PolarHBondContact O-N 2.91Å; Y696-D699 WeakPolarHBondContact O-CB 3.49Å; Y696-D699 PolarHBondContact O-N 3.24Å; Y696-L700 PolarHBondContact O-N 2.62Å
697	K	97.8	Very high	93.7	Very high	8 Å²	8	31.4 Å²	31.4	4%	0.035	18%	0.178	C	C	.	.	H	α-helix	trans	-57.4	-37.7	178.3	177	56.8	178.5	167.6	0	112.6	E612 S615 S619 S622 L624 D699 L700 V701	E612-K697 IonicContact OE1-NZ 2.62Å; S615-K697 WeakPolarHBondContact O-CD 3.3Å; S615-K697 WeakPolarHBondContact O-CE 3.35Å; S619-K697 WeakPolarHBondContact O-CB 3.49Å; S622-K697 PolarHBondContact O-N 3.47Å; L624-K697 HydrophobicContact CD1-CB 3.99Å; L624-K697 HydrophobicContact CD1-CD 4.16Å; L624-K697 HydrophobicContact CG-CB 4.38Å; K697-D699 VanDerWaalsContact C-N 3.3Å; K697-D699 PolarHBondContact O-N 3.32Å; K697-L700 HydrophobicContact CD-CD2 3.89Å; K697-L700 WeakPolarHBondContact O-CB 3.34Å; K697-L700 PolarHBondContact O-N 2.96Å; K697-V701 HydrophobicContact CD-CG2 4.25Å; K697-V701 WeakPolarHBondContact O-CG2 3.23Å; K697-V701 PolarHBondContact O-N 3.34Å
698	G	96.5	Very high	94.2	Very high	17 Å²	17	30 Å²	30	18%	0.175	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-38.7	176.2	0	0	0	0	0	112.9	N620 Y696 V701 R702	N620-G698 PolarHBondContact O-N 3.01Å; Y696-G698 VanDerWaalsContact C-N 3.26Å; Y696-G698 PolarHBondContact O-N 2.91Å; G698-V701 PolarHBondContact O-N 2.86Å; G698-R702 WeakPolarHBondContact O-CB 3.43Å; G698-R702 PolarHBondContact O-N 3.43Å
699	D	97.6	Very high	94.9	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-71.6	-37.2	177.4	-75.7	-28.6	0	0	0	112.7	L647 G648 V695 Y696 K697 V701 R702 A703 F724 I729	L647-D699 WeakPolarHBondContact CA-OD2 3.31Å; G648-D699 WeakPolarHBondContact CA-OD1 3.33Å; G648-D699 VanDerWaalsContact N-CG 3.3Å; G648-D699 PolarHBondContact N-OD1 3.14Å; G648-D699 PolarHBondContact N-OD2 3.45Å; V695-D699 HydrophobicContact CG2-CB 4.13Å; Y696-D699 WeakPolarHBondContact O-CB 3.49Å; Y696-D699 PolarHBondContact O-N 3.24Å; K697-D699 VanDerWaalsContact C-N 3.3Å; K697-D699 PolarHBondContact O-N 3.32Å; D699-V701 VanDerWaalsContact C-N 3.34Å; D699-R702 PolarHBondContact O-N 3Å; D699-R702 IonicContact OD1-NH1 3.05Å; D699-A703 WeakPolarHBondContact O-CB 2.96Å; D699-A703 PolarHBondContact O-N 3.48Å; D699-F724 HydrophobicContact CB-CE1 4.34Å; D699-I729 HydrophobicContact CB-CD1 3.64Å
700	L	97.1	Very high	95.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.8	-48	170.4	180	78.5	0	0	0	111.2	Y626 Y696 K697 R702 A703 G704 G705 F706 L720 F724	Y626-L700 HydrophobicContact CE2-CD1 4.22Å; Y626-L700 WeakPolarHBondContact OH-CD2 3.43Å; Y696-L700 PolarHBondContact O-N 2.62Å; K697-L700 HydrophobicContact CD-CD2 3.89Å; K697-L700 WeakPolarHBondContact O-CB 3.34Å; K697-L700 PolarHBondContact O-N 2.96Å; L700-R702 VanDerWaalsContact C-N 3.35Å; L700-A703 PolarHBondContact O-N 2.91Å; L700-G704 PolarHBondContact O-N 2.79Å; L700-G704 VanDerWaalsContact O-N 3.15Å; L700-G705 PolarHBondContact O-N 3.3Å; L700-F706 HydrophobicContact CD1-CD2 4.4Å; L700-F706 HydrophobicContact CD1-CE2 4.21Å; L700-L720 HydrophobicContact CD1-CD1 3.76Å; L700-L720 HydrophobicContact CD1-CD2 4.42Å; L700-F724 HydrophobicContact CD1-CE2 4.41Å
701	V	95.8	Very high	94.9	Very high	79 Å²	79	33.1 Å²	33.1	48%	0.479	19%	0.194	S	C	.	.	H	α-helix	trans	-63.3	-43.1	178.4	173.2	0	0	0	0	110.5	K697 G698 D699 A703 G704	K697-V701 HydrophobicContact CD-CG2 4.25Å; K697-V701 WeakPolarHBondContact O-CG2 3.23Å; K697-V701 PolarHBondContact O-N 3.34Å; G698-V701 PolarHBondContact O-N 2.86Å; D699-V701 VanDerWaalsContact C-N 3.34Å; V701-A703 VanDerWaalsContact C-N 3.3Å; V701-A703 PolarHBondContact O-N 3.47Å; V701-G704 PolarHBondContact O-N 2.71Å
702	R	95.1	Very high	94.7	Very high	118 Å²	118	33.5 Å²	33.5	45%	0.445	20%	0.198	S	C	.	.	H	α-helix	trans	-61.4	-37.1	176.5	-173.5	175.3	111.8	-163.8	16.4	112.9	G648 G698 D699 L700 G704 S727	G648-R702 PolarHBondContact O-NH1 3.11Å; G648-R702 PolarHBondContact O-NH2 3.07Å; G698-R702 WeakPolarHBondContact O-CB 3.43Å; G698-R702 PolarHBondContact O-N 3.43Å; D699-R702 PolarHBondContact O-N 3Å; D699-R702 IonicContact OD1-NH1 3.05Å; L700-R702 VanDerWaalsContact C-N 3.35Å; R702-G704 VanDerWaalsContact C-N 3.25Å; R702-G704 PolarHBondContact O-N 3.23Å; R702-S727 PolarHBondContact NH2-O 3Å
703	A	95.6	Very high	94.1	Very high	12 Å²	12	37.1 Å²	37.1	10%	0.099	21%	0.211	C	C	.	.	H	α-helix	trans	-72.5	-18.4	175.2	0	0	0	0	0	113	D699 L700 V701 K723 F724	D699-A703 WeakPolarHBondContact O-CB 2.96Å; D699-A703 PolarHBondContact O-N 3.48Å; L700-A703 PolarHBondContact O-N 2.91Å; V701-A703 VanDerWaalsContact C-N 3.3Å; V701-A703 PolarHBondContact O-N 3.47Å; A703-K723 WeakPolarHBondContact O-CB 3.39Å; A703-F724 HydrophobicContact CB-CD1 4.14Å; A703-F724 HydrophobicContact CB-CD2 3.77Å; A703-F724 HydrophobicContact CB-CE1 4.03Å; A703-F724 HydrophobicContact CB-CE2 3.65Å; A703-F724 HydrophobicContact CB-CG 3.99Å; A703-F724 HydrophobicContact CB-CZ 3.75Å
704	G	94.4	Very high	93.6	Very high	52 Å²	52	37.1 Å²	37.1	54%	0.536	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.9	11.6	179.5	0	0	0	0	0	114.9	L700 V701 R702	L700-G704 PolarHBondContact O-N 2.79Å; L700-G704 VanDerWaalsContact O-N 3.15Å; V701-G704 PolarHBondContact O-N 2.71Å; R702-G704 VanDerWaalsContact C-N 3.25Å; R702-G704 PolarHBondContact O-N 3.23Å
705	G	94.9	Very high	93.2	Very high	5 Å²	5	39.1 Å²	39.1	5%	0.052	22%	0.222	C	C	.	.			trans	63.6	-172.2	174	0	0	0	0	0	115.3	L700 K723	L700-G705 PolarHBondContact O-N 3.3Å; G705-K723 WeakPolarHBondContact O-CD 3.35Å; G705-K723 PolarHBondContact O-NZ 3.29Å
706	F	96.1	Very high	93	Very high	13 Å²	13	39.3 Å²	39.3	6%	0.057	22%	0.223	C	C	.	.			trans	-76.6	142.8	175.9	-73.1	-86	0	0	0	111.6	A608 L611 E612 Y626 L700 T708 E716 L720	A608-F706 HydrophobicContact CB-CB 4.3Å; A608-F706 HydrophobicContact CB-CD1 4.38Å; L611-F706 HydrophobicContact CB-CD2 4.06Å; L611-F706 HydrophobicContact CB-CE1 4.48Å; L611-F706 HydrophobicContact CB-CE2 3.51Å; L611-F706 HydrophobicContact CB-CZ 3.75Å; L611-F706 HydrophobicContact CD1-CE1 4.07Å; L611-F706 HydrophobicContact CD1-CE2 4.26Å; L611-F706 HydrophobicContact CD1-CZ 3.6Å; L611-F706 HydrophobicContact CG-CZ 4.33Å; E612-F706 HydrophobicContact CB-CB 4.24Å; E612-F706 HydrophobicContact CB-CD2 4.44Å; E612-F706 PolarHBondContact OE2-N 3.23Å; Y626-F706 AromaticContact CD2-CE2 3.99Å; Y626-F706 HydrophobicContact CD2-CE2 3.99Å; Y626-F706 AromaticContact CD2-CZ 3.62Å; Y626-F706 HydrophobicContact CD2-CZ 3.62Å; Y626-F706 AromaticContact CE2-CE2 3.36Å; Y626-F706 HydrophobicContact CE2-CE2 3.36Å; Y626-F706 AromaticContact CE2-CZ 3.45Å; Y626-F706 HydrophobicContact CE2-CZ 3.45Å; Y626-F706 VanDerWaalsContact CE2-CZ 3.45Å; Y626-F706 AromaticContact CZ-CE2 3.72Å; L700-F706 HydrophobicContact CD1-CD2 4.4Å; L700-F706 HydrophobicContact CD1-CE2 4.21Å; F706-T708 PolarHBondContact O-N 2.94Å; F706-E716 HydrophobicContact CD1-CB 4.43Å; F706-E716 HydrophobicContact CD1-CG 4.35Å; F706-E716 HydrophobicContact CE1-CG 4.31Å; F706-L720 HydrophobicContact CD1-CB 4.46Å; F706-L720 HydrophobicContact CD1-CD2 4.4Å; F706-L720 HydrophobicContact CE1-CB 4.3Å; F706-L720 HydrophobicContact CE1-CD2 3.69Å; F706-L720 HydrophobicContact CE1-CG 4.44Å; F706-L720 HydrophobicContact CE2-CD2 4.2Å; F706-L720 HydrophobicContact CZ-CD2 3.58Å
707	D	94.1	Very high	92.7	Very high	58 Å²	58	38.6 Å²	38.6	31%	0.31	22%	0.221	S	C	.	.			trans	-77.5	102.7	165.2	-174.8	-7.2	0	0	0	110	S709 I710 D719	D707-S709 PolarHBondContact O-N 3.28Å; D707-S709 WeakPolarHBondContact OD1-CB 3.22Å; D707-S709 PolarHBondContact OD1-N 2.79Å; D707-S709 PolarHBondContact OD1-OG 2.93Å; D707-S709 PolarHBondContact OD2-OG 3.31Å; D707-I710 HydrophobicContact CB-CD1 4.02Å; D707-I710 HydrophobicContact CB-CG1 4.25Å; D707-I710 WeakPolarHBondContact O-CB 3.19Å; D707-I710 PolarHBondContact O-N 2.95Å; D707-D719 WeakPolarHBondContact CB-OD2 3.39Å
708	T	92.8	Very high	92.5	Very high	62 Å²	62	40.1 Å²	40.1	38%	0.38	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-5.3	-180	60.5	0	0	0	0	113.6	L609 E612 F706 I710 Q711	L609-T708 HydrophobicContact CD1-CG2 4.25Å; E612-T708 HydrophobicContact CB-CG2 3.99Å; E612-T708 HydrophobicContact CG-CG2 4.02Å; F706-T708 PolarHBondContact O-N 2.94Å; T708-I710 PolarHBondContact O-N 3.4Å; T708-Q711 PolarHBondContact O-NE2 3.06Å; T708-Q711 VanDerWaalsContact O-NE2 3.14Å
709	S	91.5	Very high	92.4	Very high	81 Å²	81	41.3 Å²	41.3	57%	0.566	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.1	170.4	75.4	0	0	0	0	111.8	D707 Q711	D707-S709 PolarHBondContact O-N 3.28Å; D707-S709 WeakPolarHBondContact OD1-CB 3.22Å; D707-S709 PolarHBondContact OD1-N 2.79Å; D707-S709 PolarHBondContact OD1-OG 2.93Å; D707-S709 PolarHBondContact OD2-OG 3.31Å; S709-Q711 PolarHBondContact O-N 2.81Å
710	I	87.7	Confident	92.3	Very high	26 Å²	26	41.2 Å²	41.2	13%	0.133	23%	0.233	C	C	.	.			trans	-72	109.2	174.9	-56.4	173.7	0	0	0	109.1	S606 D707 T708 G714 L715 E716 D719	S606-I710 PolarHBondContact OG-O 3.31Å; D707-I710 HydrophobicContact CB-CD1 4.02Å; D707-I710 HydrophobicContact CB-CG1 4.25Å; D707-I710 WeakPolarHBondContact O-CB 3.19Å; D707-I710 PolarHBondContact O-N 2.95Å; T708-I710 PolarHBondContact O-N 3.4Å; I710-G714 WeakPolarHBondContact CG2-O 3.27Å; I710-L715 HydrophobicContact CD1-CB 4.46Å; I710-L715 HydrophobicContact CG2-CB 4.48Å; I710-E716 HydrophobicContact CD1-CB 4.15Å; I710-E716 HydrophobicContact CG2-CB 4.19Å; I710-D719 HydrophobicContact CD1-CB 4.09Å
711	Q	87.9	Confident	92.2	Very high	104 Å²	104	43.4 Å²	43.4	49%	0.486	24%	0.242	S	C	.	.			trans	-91.2	151.9	177.5	-58.2	-56	-41	0	0	111.1	T708 S709 Q756	T708-Q711 PolarHBondContact O-NE2 3.06Å; T708-Q711 VanDerWaalsContact O-NE2 3.14Å; S709-Q711 PolarHBondContact O-N 2.81Å; Q711-Q756 PolarHBondContact O-NE2 3.36Å
712	G	85.5	Confident	92.1	Very high	19 Å²	19	43.2 Å²	43.2	20%	0.196	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	74.2	-132.4	177.6	0	0	0	0	0	114.1	F605 S606 R607	F605-G712 VanDerWaalsContact O-CA 3.3Å; F605-G712 WeakPolarHBondContact O-CA 2.99Å; F605-G712 PolarHBondContact O-N 3.43Å; S606-G712 WeakPolarHBondContact CA-O 3.46Å; R607-G712 PolarHBondContact N-O 3.21Å
713	W	84.8	Confident	92.1	Very high	86 Å²	86	39.8 Å²	39.8	33%	0.326	23%	0.226	S	C	.	.	S	Bend	trans	-128.6	138.1	-176.9	-178.1	94.2	0	0	0	111.2	F605	F605-W713 HydrophobicContact CE1-CB 4.48Å
714	G	85.9	Confident	92.1	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.01	22%	0.222	C	C	.	.	S	Bend	trans	99.4	154.1	175.8	0	0	0	0	0	112.4	I710 E716 Q756	I710-G714 WeakPolarHBondContact CG2-O 3.27Å; G714-E716 WeakPolarHBondContact CA-OE2 3.42Å; G714-E716 PolarHBondContact N-OE2 3.22Å; G714-E716 PolarHBondContact O-N 3.15Å; G714-Q756 PolarHBondContact O-NE2 2.94Å
715	L	89.5	Confident	92	Very high	41 Å²	41	40.9 Å²	40.9	22%	0.215	22%	0.221	C	C	.	.	S	Bend	trans	74	-27.6	-172.9	-93.1	158.3	0	0	0	115.6	I710 D717 V718 D719 K755 Q756 M759	I710-L715 HydrophobicContact CD1-CB 4.46Å; I710-L715 HydrophobicContact CG2-CB 4.48Å; L715-D717 VanDerWaalsContact C-N 3.28Å; L715-D717 PolarHBondContact O-N 3.39Å; L715-V718 PolarHBondContact O-N 3.22Å; L715-D719 WeakPolarHBondContact O-CB 3.44Å; L715-D719 PolarHBondContact O-N 3.16Å; L715-K755 HydrophobicContact CD1-CB 3.73Å; L715-Q756 HydrophobicContact CB-CG 4.28Å; L715-Q756 HydrophobicContact CD1-CG 3.56Å; L715-Q756 HydrophobicContact CG-CG 4.32Å; L715-M759 HydrophobicContact CD2-SD 4.34Å; L715-M759 HydrophobicContact CG-SD 3.82Å
716	E	93.6	Very high	91.9	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.019	25%	0.254	C	S	.	.	H	α-helix	trans	-66.4	-32.7	-176.7	83	-64.2	166.6	0	0	113	R607 A608 F706 I710 G714 L720	R607-E716 VanDerWaalsContact CD-OE1 3.29Å; R607-E716 WeakPolarHBondContact CD-OE1 3.48Å; R607-E716 IonicContact CZ-OE1 3.23Å; R607-E716 IonicContact NE-OE1 4Å; R607-E716 IonicContact NH1-OE1 3.61Å; R607-E716 PolarHBondContact NH1-OE1 3.27Å; A608-E716 HydrophobicContact CB-CB 3.74Å; A608-E716 HydrophobicContact CB-CG 4.12Å; F706-E716 HydrophobicContact CD1-CB 4.43Å; F706-E716 HydrophobicContact CD1-CG 4.35Å; F706-E716 HydrophobicContact CE1-CG 4.31Å; I710-E716 HydrophobicContact CD1-CB 4.15Å; I710-E716 HydrophobicContact CG2-CB 4.19Å; G714-E716 WeakPolarHBondContact CA-OE2 3.42Å; G714-E716 PolarHBondContact N-OE2 3.22Å; G714-E716 PolarHBondContact O-N 3.15Å; E716-L720 WeakPolarHBondContact O-CB 3.07Å; E716-L720 PolarHBondContact O-N 3.4Å
717	D	93	Very high	91.6	Very high	20 Å²	20	49 Å²	49	11%	0.107	26%	0.261	C	S	.	.	H	α-helix	trans	-74.1	-38.5	178.7	68.3	-29.2	0	0	0	112.4	F690 G691 L715 Y721	F690-D717 HydrophobicContact CB-CB 4.02Å; F690-D717 PolarHBondContact N-OD2 3.17Å; F690-D717 VanDerWaalsContact N-OD2 3.13Å; G691-D717 VanDerWaalsContact N-CB 3.29Å; G691-D717 PolarHBondContact N-OD2 3.35Å; G691-D717 VanDerWaalsContact N-OD2 3.14Å; L715-D717 VanDerWaalsContact C-N 3.28Å; L715-D717 PolarHBondContact O-N 3.39Å; D717-Y721 VanDerWaalsContact O-CB 3.28Å; D717-Y721 WeakPolarHBondContact O-CB 3.17Å; D717-Y721 PolarHBondContact O-N 2.99Å
718	V	92.5	Very high	91.2	Very high	41 Å²	41	49.4 Å²	49.4	25%	0.248	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-43.1	173.5	177.4	0	0	0	0	110.7	F690 L715 Y721 N722 M759	F690-V718 HydrophobicContact CD2-CG2 4.11Å; F690-V718 HydrophobicContact CE2-CG2 4.46Å; L715-V718 PolarHBondContact O-N 3.22Å; V718-Y721 PolarHBondContact O-N 3.11Å; V718-N722 WeakPolarHBondContact O-CB 3.44Å; V718-N722 VanDerWaalsContact O-CG 3.24Å; V718-N722 PolarHBondContact O-N 3.23Å; V718-N722 PolarHBondContact O-ND2 3.08Å; V718-M759 HydrophobicContact CG2-CE 4.17Å
719	D	95	Very high	91.2	Very high	41 Å²	41	46.8 Å²	46.8	22%	0.219	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-52.8	174.5	175.5	64.7	0	0	0	111.1	D707 I710 L715 Y721 N722 K723	D707-D719 WeakPolarHBondContact CB-OD2 3.39Å; I710-D719 HydrophobicContact CD1-CB 4.09Å; L715-D719 WeakPolarHBondContact O-CB 3.44Å; L715-D719 PolarHBondContact O-N 3.16Å; D719-Y721 VanDerWaalsContact C-N 3.33Å; D719-Y721 PolarHBondContact O-N 3.41Å; D719-N722 PolarHBondContact O-N 2.99Å; D719-N722 VanDerWaalsContact O-N 3.17Å; D719-K723 PolarHBondContact O-N 3.21Å; D719-K723 IonicContact OD1-NZ 3.96Å; D719-K723 WeakPolarHBondContact OD2-CE 3.37Å; D719-K723 IonicContact OD2-NZ 2.74Å; D719-K723 PolarHBondContact OD2-NZ 3.32Å
720	L	95.4	Very high	91.2	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-57.4	-46.7	178.3	-175.4	68.2	0	0	0	111.6	Y626 L700 F706 E716 N722 K723 F724	Y626-L720 HydrophobicContact CE2-CD2 4.34Å; L700-L720 HydrophobicContact CD1-CD1 3.76Å; L700-L720 HydrophobicContact CD1-CD2 4.42Å; F706-L720 HydrophobicContact CD1-CB 4.46Å; F706-L720 HydrophobicContact CD1-CD2 4.4Å; F706-L720 HydrophobicContact CE1-CB 4.3Å; F706-L720 HydrophobicContact CE1-CD2 3.69Å; F706-L720 HydrophobicContact CE1-CG 4.44Å; F706-L720 HydrophobicContact CE2-CD2 4.2Å; F706-L720 HydrophobicContact CZ-CD2 3.58Å; E716-L720 WeakPolarHBondContact O-CB 3.07Å; E716-L720 PolarHBondContact O-N 3.4Å; L720-N722 VanDerWaalsContact C-N 3.33Å; L720-N722 PolarHBondContact O-N 2.84Å; L720-K723 WeakPolarHBondContact O-CB 3.44Å; L720-K723 PolarHBondContact O-N 2.67Å; L720-F724 HydrophobicContact CD1-CD2 4.04Å; L720-F724 HydrophobicContact CD1-CE2 3.84Å; L720-F724 HydrophobicContact CD2-CE2 4.48Å; L720-F724 HydrophobicContact CG-CD2 3.96Å; L720-F724 HydrophobicContact CG-CE2 4.04Å; L720-F724 WeakPolarHBondContact O-CD2 3.45Å; L720-F724 PolarHBondContact O-N 3.13Å
721	Y	94.9	Very high	91.4	Very high	47 Å²	47	47.9 Å²	47.9	18%	0.184	26%	0.258	C	S	.	.	H	α-helix	trans	-60.1	-43.3	178.8	-174.6	-97	0	0	0	112	F653 F690 D717 V718 D719 K723 F724 V725 L731 R733	F653-Y721 AromaticContact CD1-CD2 3.86Å; F653-Y721 HydrophobicContact CD1-CD2 3.86Å; F653-Y721 HydrophobicContact CD1-CE2 4.4Å; F653-Y721 HydrophobicContact CD2-CD2 4.42Å; F653-Y721 HydrophobicContact CD2-CE2 4.42Å; F653-Y721 AromaticContact CE1-CD2 3.77Å; F653-Y721 HydrophobicContact CE1-CD2 3.77Å; F653-Y721 HydrophobicContact CE2-CD2 4.36Å; F653-Y721 HydrophobicContact CG-CD2 4.19Å; F653-Y721 HydrophobicContact CG-CE2 4.29Å; F653-Y721 HydrophobicContact CZ-CD2 4.03Å; F690-Y721 HydrophobicContact CB-CD2 4.39Å; F690-Y721 HydrophobicContact CB-CG 4.35Å; F690-Y721 AromaticContact CD1-CD1 3.91Å; F690-Y721 HydrophobicContact CD1-CD1 3.91Å; F690-Y721 AromaticContact CD1-CD2 3.3Å; F690-Y721 HydrophobicContact CD1-CD2 3.3Å; F690-Y721 HydrophobicContact CD1-CE1 4.22Å; F690-Y721 AromaticContact CD1-CE2 3.65Å; F690-Y721 HydrophobicContact CD1-CE2 3.65Å; F690-Y721 AromaticContact CD1-CG 3.42Å; F690-Y721 HydrophobicContact CD1-CG 3.42Å; F690-Y721 VanDerWaalsContact CD1-CG 3.42Å; F690-Y721 AromaticContact CE1-CD1 3.8Å; F690-Y721 HydrophobicContact CE1-CD1 3.8Å; F690-Y721 AromaticContact CE1-CD2 3.83Å; F690-Y721 HydrophobicContact CE1-CD2 3.83Å; F690-Y721 AromaticContact CE1-CE1 3.77Å; F690-Y721 HydrophobicContact CE1-CE1 3.77Å; F690-Y721 AromaticContact CE1-CE2 3.79Å; F690-Y721 HydrophobicContact CE1-CE2 3.79Å; F690-Y721 AromaticContact CE1-CG 3.82Å; F690-Y721 HydrophobicContact CE1-CG 3.82Å; F690-Y721 AromaticContact CE1-CZ 3.75Å; F690-Y721 HydrophobicContact CG-CD1 4.48Å; F690-Y721 HydrophobicContact CG-CD2 4.07Å; F690-Y721 AromaticContact CG-CG 3.89Å; F690-Y721 HydrophobicContact CG-CG 3.89Å; F690-Y721 HydrophobicContact CZ-CD1 4.28Å; F690-Y721 HydrophobicContact CZ-CE1 4.35Å; D717-Y721 VanDerWaalsContact O-CB 3.28Å; D717-Y721 WeakPolarHBondContact O-CB 3.17Å; D717-Y721 PolarHBondContact O-N 2.99Å; V718-Y721 PolarHBondContact O-N 3.11Å; D719-Y721 VanDerWaalsContact C-N 3.33Å; D719-Y721 PolarHBondContact O-N 3.41Å; Y721-K723 VanDerWaalsContact C-N 3.34Å; Y721-K723 PolarHBondContact O-N 3.14Å; Y721-F724 WeakPolarHBondContact O-CB 3.4Å; Y721-F724 PolarHBondContact O-N 3.25Å; Y721-V725 HydrophobicContact CD1-CG2 4.06Å; Y721-V725 HydrophobicContact CE1-CG2 3.73Å; Y721-V725 WeakPolarHBondContact O-CG2 3.39Å; Y721-V725 PolarHBondContact O-N 3.49Å; Y721-L731 HydrophobicContact CD2-CD1 4.26Å; Y721-L731 HydrophobicContact CE1-CD1 4.44Å; Y721-L731 HydrophobicContact CE2-CD1 3.69Å; Y721-R733 WeakPolarHBondContact OH-CD 3.41Å
722	N	93.9	Very high	91.7	Very high	75 Å²	75	46.3 Å²	46.3	40%	0.401	25%	0.249	S	C	.	.	H	α-helix	trans	-64.3	-38.1	177.7	-74	-35.2	0	0	0	112.5	V718 D719 L720 F724 V725 Q726	V718-N722 WeakPolarHBondContact O-CB 3.44Å; V718-N722 VanDerWaalsContact O-CG 3.24Å; V718-N722 PolarHBondContact O-N 3.23Å; V718-N722 PolarHBondContact O-ND2 3.08Å; D719-N722 PolarHBondContact O-N 2.99Å; D719-N722 VanDerWaalsContact O-N 3.17Å; L720-N722 VanDerWaalsContact C-N 3.33Å; L720-N722 PolarHBondContact O-N 2.84Å; N722-F724 VanDerWaalsContact C-N 3.35Å; N722-V725 PolarHBondContact O-N 2.67Å; N722-Q726 WeakPolarHBondContact O-CG 3.42Å; N722-Q726 PolarHBondContact O-N 2.92Å; N722-Q726 PolarHBondContact O-NE2 2.82Å
723	K	95.6	Very high	92	Very high	46 Å²	46	48 Å²	48	20%	0.2	25%	0.25	C	C	.	.	H	α-helix	trans	-61.1	-43.4	172.7	-78.8	171.6	176.8	167.6	0	111.7	A703 G705 D719 L720 Y721 V725 Q726 S727	A703-K723 WeakPolarHBondContact O-CB 3.39Å; G705-K723 WeakPolarHBondContact O-CD 3.35Å; G705-K723 PolarHBondContact O-NZ 3.29Å; D719-K723 PolarHBondContact O-N 3.21Å; D719-K723 IonicContact OD1-NZ 3.96Å; D719-K723 WeakPolarHBondContact OD2-CE 3.37Å; D719-K723 IonicContact OD2-NZ 2.74Å; D719-K723 PolarHBondContact OD2-NZ 3.32Å; L720-K723 WeakPolarHBondContact O-CB 3.44Å; L720-K723 PolarHBondContact O-N 2.67Å; Y721-K723 VanDerWaalsContact C-N 3.34Å; Y721-K723 PolarHBondContact O-N 3.14Å; K723-V725 PolarHBondContact O-N 3.13Å; K723-Q726 PolarHBondContact O-N 3.47Å; K723-Q726 VanDerWaalsContact O-N 3.12Å; K723-S727 PolarHBondContact O-N 3.3Å
724	F	95.8	Very high	92.1	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63	-39.7	174.2	-96.2	-80.1	0	0	0	113.5	A651 F653 V695 D699 L700 A703 L720 Y721 N722 Q726 S727 I729 L731	A651-F724 HydrophobicContact CB-CD1 4.11Å; A651-F724 HydrophobicContact CB-CE1 3.91Å; F653-F724 HydrophobicContact CE2-CG 4.35Å; F653-F724 HydrophobicContact CZ-CB 4.38Å; F653-F724 HydrophobicContact CZ-CD2 4.04Å; F653-F724 HydrophobicContact CZ-CG 4.13Å; V695-F724 HydrophobicContact CG2-CE1 3.94Å; V695-F724 HydrophobicContact CG2-CE2 4.3Å; V695-F724 HydrophobicContact CG2-CZ 3.43Å; V695-F724 VanDerWaalsContact CG2-CZ 3.43Å; D699-F724 HydrophobicContact CB-CE1 4.34Å; L700-F724 HydrophobicContact CD1-CE2 4.41Å; A703-F724 HydrophobicContact CB-CD1 4.14Å; A703-F724 HydrophobicContact CB-CD2 3.77Å; A703-F724 HydrophobicContact CB-CE1 4.03Å; A703-F724 HydrophobicContact CB-CE2 3.65Å; A703-F724 HydrophobicContact CB-CG 3.99Å; A703-F724 HydrophobicContact CB-CZ 3.75Å; L720-F724 HydrophobicContact CD1-CD2 4.04Å; L720-F724 HydrophobicContact CD1-CE2 3.84Å; L720-F724 HydrophobicContact CD2-CE2 4.48Å; L720-F724 HydrophobicContact CG-CD2 3.96Å; L720-F724 HydrophobicContact CG-CE2 4.04Å; L720-F724 WeakPolarHBondContact O-CD2 3.45Å; L720-F724 PolarHBondContact O-N 3.13Å; Y721-F724 WeakPolarHBondContact O-CB 3.4Å; Y721-F724 PolarHBondContact O-N 3.25Å; N722-F724 VanDerWaalsContact C-N 3.35Å; F724-Q726 PolarHBondContact O-N 2.9Å; F724-S727 PolarHBondContact O-N 3.26Å; F724-S727 PolarHBondContact O-OG 2.65Å; F724-I729 HydrophobicContact CD1-CB 4.11Å; F724-I729 HydrophobicContact CD1-CD1 3.96Å; F724-I729 HydrophobicContact CD1-CG2 4.19Å; F724-I729 HydrophobicContact CE1-CB 4.43Å; F724-I729 HydrophobicContact CE1-CD1 3.56Å; F724-I729 HydrophobicContact CE1-CG2 4.28Å; F724-L731 HydrophobicContact CB-CD1 4.26Å; F724-L731 HydrophobicContact CB-CD2 3.69Å; F724-L731 HydrophobicContact CD1-CD2 3.93Å; F724-L731 HydrophobicContact CG-CD2 4.16Å
725	V	92.4	Very high	92.3	Very high	86 Å²	86	49.7 Å²	49.7	52%	0.521	27%	0.272	S	S	.	.	H	α-helix	trans	-59.5	-32.2	173.8	171.2	0	0	0	0	111.5	Y721 N722 K723 L731	Y721-V725 HydrophobicContact CD1-CG2 4.06Å; Y721-V725 HydrophobicContact CE1-CG2 3.73Å; Y721-V725 WeakPolarHBondContact O-CG2 3.39Å; Y721-V725 PolarHBondContact O-N 3.49Å; N722-V725 PolarHBondContact O-N 2.67Å; K723-V725 PolarHBondContact O-N 3.13Å; V725-L731 HydrophobicContact CB-CD1 4.38Å; V725-L731 HydrophobicContact CG2-CD1 3.47Å; V725-L731 VanDerWaalsContact CG2-CD1 3.47Å
726	Q	91.1	Very high	92.3	Very high	161 Å²	161	47.8 Å²	47.8	75%	0.752	26%	0.262	S	S	*	.	H	α-helix	trans	-88	-18.3	-178.8	-65.7	170.6	37.5	0	0	113.6	N722 K723 F724 G728	N722-Q726 WeakPolarHBondContact O-CG 3.42Å; N722-Q726 PolarHBondContact O-N 2.92Å; N722-Q726 PolarHBondContact O-NE2 2.82Å; K723-Q726 PolarHBondContact O-N 3.47Å; K723-Q726 VanDerWaalsContact O-N 3.12Å; F724-Q726 PolarHBondContact O-N 2.9Å; Q726-G728 VanDerWaalsContact C-N 3.3Å; Q726-G728 PolarHBondContact O-N 3.11Å
727	S	90.1	Very high	92	Very high	27 Å²	27	51.2 Å²	51.2	19%	0.189	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.4	-173.9	75	0	0	0	0	114.9	R702 K723 F724 I729	R702-S727 PolarHBondContact NH2-O 3Å; K723-S727 PolarHBondContact O-N 3.3Å; F724-S727 PolarHBondContact O-N 3.26Å; F724-S727 PolarHBondContact O-OG 2.65Å; S727-I729 PolarHBondContact O-N 2.81Å; S727-I729 WeakPolarHBondContact OG-CD1 3.22Å; S727-I729 WeakPolarHBondContact OG-CG1 3.42Å
728	G	86.3	Confident	92	Very high	67 Å²	67	50.4 Å²	50.4	69%	0.691	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	8.4	-176.9	0	0	0	0	0	114.5	Q726	Q726-G728 VanDerWaalsContact C-N 3.3Å; Q726-G728 PolarHBondContact O-N 3.11Å
729	I	92	Very high	92.1	Very high	8 Å²	8	48.5 Å²	48.5	4%	0.041	27%	0.268	C	S	.	.			trans	-78.1	133.1	171.8	-62.4	172	0	0	0	108.7	A651 D699 F724 S727 L731	A651-I729 HydrophobicContact CB-CG2 4.15Å; D699-I729 HydrophobicContact CB-CD1 3.64Å; F724-I729 HydrophobicContact CD1-CB 4.11Å; F724-I729 HydrophobicContact CD1-CD1 3.96Å; F724-I729 HydrophobicContact CD1-CG2 4.19Å; F724-I729 HydrophobicContact CE1-CB 4.43Å; F724-I729 HydrophobicContact CE1-CD1 3.56Å; F724-I729 HydrophobicContact CE1-CG2 4.28Å; S727-I729 PolarHBondContact O-N 2.81Å; S727-I729 WeakPolarHBondContact OG-CD1 3.22Å; S727-I729 WeakPolarHBondContact OG-CG1 3.42Å; I729-L731 PolarHBondContact O-N 3.28Å
730	K	91.9	Very high	92.1	Very high	89 Å²	89	46.5 Å²	46.5	39%	0.387	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	130.8	174.8	-176	174.5	169.8	-177.4	0	109.2	E482 E649 Q650 A651	E482-K730 IonicContact OE1-NZ 2.9Å; E482-K730 PolarHBondContact OE1-NZ 3.38Å; E482-K730 IonicContact OE2-NZ 3.99Å; E482-K730 PolarHBondContact OE2-NZ 2.98Å; E649-K730 VanDerWaalsContact O-CB 3.28Å; E649-K730 WeakPolarHBondContact O-CB 3.22Å; E649-K730 PolarHBondContact O-N 3.3Å; Q650-K730 VanDerWaalsContact CA-O 3.25Å; Q650-K730 WeakPolarHBondContact CA-O 3.45Å; Q650-K730 HydrophobicContact CB-CB 4.29Å; Q650-K730 HydrophobicContact CG-CB 4.27Å; Q650-K730 HydrophobicContact CG-CG 4.34Å; Q650-K730 WeakPolarHBondContact CG-O 3.21Å; Q650-K730 VanDerWaalsContact OE1-CE 3.24Å; A651-K730 PolarHBondContact N-O 2.86Å
731	L	92.8	Very high	92	Very high	41 Å²	41	47.4 Å²	47.4	22%	0.215	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.6	178.2	-50.4	-177.3	0	0	0	108.9	A651 F653 Y721 F724 V725 I729	A651-L731 HydrophobicContact CB-CD2 4.4Å; F653-L731 HydrophobicContact CD2-CD2 4.42Å; F653-L731 HydrophobicContact CE2-CD2 3.87Å; Y721-L731 HydrophobicContact CD2-CD1 4.26Å; Y721-L731 HydrophobicContact CE1-CD1 4.44Å; Y721-L731 HydrophobicContact CE2-CD1 3.69Å; F724-L731 HydrophobicContact CB-CD1 4.26Å; F724-L731 HydrophobicContact CB-CD2 3.69Å; F724-L731 HydrophobicContact CD1-CD2 3.93Å; F724-L731 HydrophobicContact CG-CD2 4.16Å; V725-L731 HydrophobicContact CB-CD1 4.38Å; V725-L731 HydrophobicContact CG2-CD1 3.47Å; V725-L731 VanDerWaalsContact CG2-CD1 3.47Å; I729-L731 PolarHBondContact O-N 3.28Å
732	F	94.2	Very high	92	Very high	70 Å²	70	45.4 Å²	45.4	31%	0.307	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	124.6	172.9	-175.9	-113.4	0	0	0	109.7	N644 Q650 A651 Y652 F653	N644-F732 HydrophobicContact CB-CD1 3.76Å; N644-F732 HydrophobicContact CB-CE1 4.12Å; Q650-F732 HydrophobicContact CG-CB 4.01Å; A651-F732 PolarHBondContact O-N 2.92Å; Y652-F732 HydrophobicContact CD2-CB 4.42Å; Y652-F732 AromaticContact CD2-CD1 3.37Å; Y652-F732 HydrophobicContact CD2-CD1 3.37Å; Y652-F732 HydrophobicContact CD2-CE1 4.05Å; Y652-F732 HydrophobicContact CD2-CG 4.31Å; Y652-F732 WeakPolarHBondContact CD2-O 3.06Å; Y652-F732 AromaticContact CE2-CD1 3.57Å; Y652-F732 HydrophobicContact CE2-CD1 3.57Å; Y652-F732 AromaticContact CE2-CE1 3.76Å; Y652-F732 HydrophobicContact CE2-CE1 3.76Å; Y652-F732 HydrophobicContact CG-CD1 4.35Å; F653-F732 PolarHBondContact N-O 3.32Å
733	R	91.8	Very high	91.9	Very high	54 Å²	54	43.3 Å²	43.3	20%	0.204	24%	0.242	C	C	.	.			trans	-129.5	127.9	176.6	-72.4	-177.9	69.1	80.9	-9.6	109.2	F653 I655 T687 G689 Y721	F653-R733 HydrophobicContact CB-CG 3.75Å; F653-R733 WeakPolarHBondContact O-CA 3.41Å; F653-R733 WeakPolarHBondContact O-CG 3.5Å; I655-R733 HydrophobicContact CD1-CB 4.48Å; T687-R733 PolarHBondContact O-NH2 2.93Å; G689-R733 PolarHBondContact O-NH1 3.47Å; G689-R733 PolarHBondContact O-NH2 2.85Å; Y721-R733 WeakPolarHBondContact OH-CD 3.41Å
734	S	86.8	Confident	91.6	Very high	46 Å²	46	42.3 Å²	42.3	32%	0.322	24%	0.238	S	C	.	.			trans	-152.1	152.1	175.8	-174.1	0	0	0	0	110.2	I655 D736	I655-S734 PolarHBondContact N-O 3.22Å; S734-D736 PolarHBondContact O-N 3.34Å
735	T	89.3	Confident	91.1	Very high	78 Å²	78	47.3 Å²	47.3	48%	0.479	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	124.2	169.5	48.7	0	0	0	0	109.9	I655 W685	I655-T735 HydrophobicContact CB-CG2 4.26Å; I655-T735 HydrophobicContact CG2-CG2 4.07Å; I655-T735 WeakPolarHBondContact O-CA 3.37Å; W685-T735 HydrophobicContact CD2-CG2 4.03Å; W685-T735 HydrophobicContact CE3-CG2 4.09Å; W685-T735 HydrophobicContact CG-CG2 4.24Å
736	D	89.8	Confident	90.9	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	110.8	-179.2	-164	-48.2	0	0	0	110.7	F637 R640 Y652 P654 I655 W685 S734 G738 I739	F637-D736 WeakPolarHBondContact CD2-OD2 3.46Å; R640-D736 IonicContact CZ-OD1 3.66Å; R640-D736 IonicContact CZ-OD2 2.67Å; R640-D736 VanDerWaalsContact NE-CG 3.35Å; R640-D736 IonicContact NE-OD1 2.91Å; R640-D736 PolarHBondContact NE-OD1 3.21Å; R640-D736 IonicContact NE-OD2 2.73Å; R640-D736 PolarHBondContact NE-OD2 3.1Å; R640-D736 IonicContact NH2-OD1 3.87Å; R640-D736 PolarHBondContact NH2-OD1 3.08Å; R640-D736 IonicContact NH2-OD2 2.71Å; Y652-D736 WeakPolarHBondContact OH-CB 3.36Å; Y652-D736 PolarHBondContact OH-OD2 2.64Å; P654-D736 HydrophobicContact CB-CB 4.07Å; I655-D736 PolarHBondContact O-N 2.82Å; W685-D736 WeakPolarHBondContact CZ3-O 3.43Å; S734-D736 PolarHBondContact O-N 3.34Å; D736-G738 PolarHBondContact O-N 3.2Å; D736-G738 WeakPolarHBondContact OD1-CA 3.39Å; D736-G738 PolarHBondContact OD1-N 2.84Å; D736-I739 HydrophobicContact CB-CG2 3.87Å
737	T	88.6	Confident	90.7	Very high	76 Å²	76	44.3 Å²	44.3	47%	0.466	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-9.7	179.5	52.7	0	0	0	0	113.7	Y676 F678 W685 I739	Y676-T737 WeakPolarHBondContact CD1-O 3.36Å; F678-T737 HydrophobicContact CD2-CG2 4.28Å; F678-T737 HydrophobicContact CE2-CG2 3.95Å; F678-T737 VanDerWaalsContact CZ-O 3.3Å; F678-T737 WeakPolarHBondContact CZ-O 3Å; W685-T737 HydrophobicContact CH2-CG2 4.01Å; W685-T737 HydrophobicContact CZ2-CG2 4.35Å; T737-I739 VanDerWaalsContact C-N 3.33Å
738	G	91.5	Very high	90.6	Very high	3 Å²	3	43.7 Å²	43.7	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	3.3	-179.9	0	0	0	0	0	114.2	F633 S634 F637 D736	F633-G738 CarbonylContact C-O 3.54Å; F633-G738 VanDerWaalsContact CA-O 3.23Å; F633-G738 WeakPolarHBondContact CA-O 3.31Å; S634-G738 PolarHBondContact N-O 2.7Å; S634-G738 WeakPolarHBondContact OG-CA 3.46Å; S634-G738 PolarHBondContact OG-O 3.17Å; F637-G738 WeakPolarHBondContact CB-O 3.32Å; D736-G738 PolarHBondContact O-N 3.2Å; D736-G738 WeakPolarHBondContact OD1-CA 3.39Å; D736-G738 PolarHBondContact OD1-N 2.84Å
739	I	95.3	Very high	90.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	132.1	-177.3	-172.9	163.1	0	0	0	112	F625 L631 L632 F633 F637 I656 I692 D736 T737	F625-I739 HydrophobicContact CE2-CD1 4.36Å; F625-I739 HydrophobicContact CZ-CD1 3.84Å; L631-I739 HydrophobicContact CD1-CD1 4.09Å; L632-I739 CarbonylContact O-C 3.46Å; L632-I739 WeakPolarHBondContact O-CA 3.43Å; F633-I739 HydrophobicContact CB-CB 4.49Å; F633-I739 HydrophobicContact CB-CG1 4.35Å; F637-I739 HydrophobicContact CD1-CD1 4.29Å; F637-I739 HydrophobicContact CD2-CB 3.81Å; F637-I739 HydrophobicContact CD2-CD1 4.19Å; F637-I739 HydrophobicContact CD2-CG2 3.75Å; F637-I739 HydrophobicContact CE1-CD1 3.88Å; F637-I739 HydrophobicContact CE2-CB 4.16Å; F637-I739 HydrophobicContact CE2-CD1 3.76Å; F637-I739 HydrophobicContact CE2-CG2 3.93Å; F637-I739 HydrophobicContact CG-CB 4.08Å; F637-I739 HydrophobicContact CG-CD1 4.44Å; F637-I739 HydrophobicContact CG-CG2 4.5Å; F637-I739 HydrophobicContact CZ-CD1 3.59Å; I656-I739 HydrophobicContact CB-CG2 4.11Å; I656-I739 HydrophobicContact CG2-CB 4.48Å; I656-I739 HydrophobicContact CG2-CD1 4.2Å; I656-I739 HydrophobicContact CG2-CG1 4.15Å; I656-I739 HydrophobicContact CG2-CG2 3.57Å; I692-I739 HydrophobicContact CG2-CD1 3.88Å; D736-I739 HydrophobicContact CB-CG2 3.87Å; T737-I739 VanDerWaalsContact C-N 3.33Å
740	V	94.8	Very high	90.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	130.6	-174.1	-177.9	0	0	0	0	110.1	L631 L632 F657 Q659 H675 Y676 F678	L631-V740 CarbonylContact C-O 3.53Å; L631-V740 WeakPolarHBondContact CA-O 3.46Å; L632-V740 PolarHBondContact N-O 3.29Å; L632-V740 PolarHBondContact O-N 3.14Å; F657-V740 CarbonylContact O-C 3.5Å; F657-V740 WeakPolarHBondContact O-CA 3.37Å; Q659-V740 HydrophobicContact CG-CG1 3.92Å; H675-V740 HydrophobicContact CB-CG1 4.46Å; Y676-V740 HydrophobicContact CD1-CG2 3.86Å; Y676-V740 HydrophobicContact CE1-CG2 3.89Å; Y676-V740 HydrophobicContact CG-CG2 4.5Å; F678-V740 HydrophobicContact CE1-CG2 3.81Å; F678-V740 HydrophobicContact CZ-CG2 4.16Å
741	H	94.4	Very high	90.1	Very high	20 Å²	20	51.3 Å²	51.3	9%	0.093	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	108.7	168.4	-179.9	-72.7	0	0	0	109.5	D630 L631 I656 F657 Q659 H744	D630-H741 IonicContact OD1-CD2 3.4Å; D630-H741 IonicContact OD1-NE2 3.55Å; D630-H741 IonicContact OD2-NE2 3.64Å; L631-H741 HydrophobicContact CD2-CB 3.57Å; I656-H741 HydrophobicContact CD1-CB 3.88Å; F657-H741 PolarHBondContact O-N 3.08Å; Q659-H741 PolarHBondContact N-O 2.92Å; H741-H744 AromaticContact CE1-CD2 3.75Å; H741-H744 AromaticContact CE1-NE2 3.84Å
742	V	93.6	Very high	89.8	Confident	6 Å²	6	51.1 Å²	51.1	4%	0.036	29%	0.285	C	S	.	.			trans	-72.1	138	-179.1	-177.8	0	0	0	0	109.2	D630 L632 H744	D630-V742 PolarHBondContact O-N 2.86Å; L632-V742 HydrophobicContact CD1-CG2 3.53Å; L632-V742 HydrophobicContact CG-CG2 3.66Å; V742-H744 PolarHBondContact O-N 3.46Å
743	H	91.3	Very high	89.6	Confident	30 Å²	30	53.1 Å²	53.1	14%	0.139	30%	0.295	C	S	.	.			trans	-58.8	135.8	179.5	-178.8	85.3	0	0	0	111.1	Q659 Y660 D661	Q659-H743 HydrophobicContact CB-CB 4.16Å; Y660-H743 VanDerWaalsContact O-CB 3.29Å; Y660-H743 WeakPolarHBondContact O-CB 3.34Å; D661-H743 PolarHBondContact N-ND1 3.29Å
744	H	89.4	Confident	89.4	Confident	26 Å²	26	54.4 Å²	54.4	12%	0.12	32%	0.318	C	S	.	.			trans	-139.6	154.1	165.8	72.1	80.4	0	0	0	108.8	R540 I543 D630 H741 V742 V746	R540-H744 PolarHBondContact NH2-CE1 3.32Å; I543-H744 HydrophobicContact CD1-CB 4.33Å; D630-H744 IonicContact OD2-CD2 2.76Å; D630-H744 PolarHBondContact OD2-CD2 2.51Å; D630-H744 IonicContact OD2-NE2 3.43Å; D630-H744 PolarHBondContact OD2-NE2 3.14Å; D630-H744 VanDerWaalsContact OD2-NE2 3.1Å; H741-H744 AromaticContact CE1-CD2 3.75Å; H741-H744 AromaticContact CE1-NE2 3.84Å; V742-H744 PolarHBondContact O-N 3.46Å; H744-V746 PolarHBondContact O-N 2.78Å
745	P	86.9	Confident	89.4	Confident	104 Å²	104	58.7 Å²	58.7	68%	0.675	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-58.1	128.6	174.5	-24.5	34.5	0	0	0	111.3
746	V	87.7	Confident	89.4	Confident	33 Å²	33	55.6 Å²	55.6	20%	0.2	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-93.8	116.6	176.8	-175.8	0	0	0	0	109.3	H744 K764	H744-V746 PolarHBondContact O-N 2.78Å; V746-K764 HydrophobicContact CB-CB 3.95Å; V746-K764 HydrophobicContact CB-CG 4.11Å; V746-K764 HydrophobicContact CG1-CB 3.96Å; V746-K764 WeakPolarHBondContact O-CD 3.42Å; V746-K764 WeakPolarHBondContact O-CE 3.4Å; V746-K764 PolarHBondContact O-NZ 2.91Å
747	I	86.3	Confident	89.4	Confident	152 Å²	152	59.5 Å²	59.5	78%	0.779	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-103.4	120	174.9	-56.4	174.5	0	0	0	107.2
748	C	88.6	Confident	89.4	Confident	14 Å²	14	63.6 Å²	63.6	10%	0.095	34%	0.337	C	S	.	.			trans	-99.9	109.1	177.8	-60	0	0	0	0	108.7	P750 Y757 C760 L761	C748-P750 WeakPolarHBondContact O-CD 3.48Å; C748-Y757 HydrophobicContact CB-CD2 4.1Å; C748-Y757 HydrophobicContact CB-CE2 3.81Å; C748-C760 WeakPolarHBondContact CA-SG 3.11Å; C748-C760 HydrophobicContact CB-CB 3.82Å; C748-C760 WeakPolarHBondContact CB-SG 3.45Å; C748-C760 WeakPolarHBondContact SG-CB 3.32Å; C748-C760 CovalentContact SG-SG 2.04Å; C748-C760 PolarHBondContact SG-SG 3.46Å; C748-L761 HydrophobicContact CB-CD2 4.32Å
749	D	85.8	Confident	89.1	Confident	77 Å²	77	66.6 Å²	66.6	41%	0.412	35%	0.351	S	S	.	.			trans	-65	120.8	176.2	-179.3	-3.9	0	0	0	109.5	N751 L752 Y757	D749-N751 PolarHBondContact O-N 3.31Å; D749-N751 VanDerWaalsContact O-N 3.15Å; D749-N751 WeakPolarHBondContact OD1-CB 3.43Å; D749-N751 PolarHBondContact OD1-N 2.79Å; D749-N751 PolarHBondContact OD1-ND2 3.06Å; D749-L752 HydrophobicContact CB-CD1 4.31Å; D749-L752 HydrophobicContact CB-CG 4.09Å; D749-L752 WeakPolarHBondContact O-CB 3.32Å; D749-L752 WeakPolarHBondContact O-CG 3.05Å; D749-L752 PolarHBondContact O-N 3.3Å; D749-Y757 WeakPolarHBondContact O-CD2 3.21Å
750	P	87.1	Confident	88.7	Confident	101 Å²	101	66.8 Å²	66.8	66%	0.656	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.4	177.1	-23.2	34.5	0	0	0	114.4	C748 L752	C748-P750 WeakPolarHBondContact O-CD 3.48Å; P750-L752 VanDerWaalsContact C-N 3.32Å
751	N	87.3	Confident	88.4	Confident	145 Å²	145	70.2 Å²	70.2	78%	0.775	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.1	179.8	-57.2	-54.5	0	0	0	113.7	D749	D749-N751 PolarHBondContact O-N 3.31Å; D749-N751 VanDerWaalsContact O-N 3.15Å; D749-N751 WeakPolarHBondContact OD1-CB 3.43Å; D749-N751 PolarHBondContact OD1-N 2.79Å; D749-N751 PolarHBondContact OD1-ND2 3.06Å
752	L	85.8	Confident	88	Confident	38 Å²	38	71.2 Å²	71.2	20%	0.199	39%	0.386	C	S	.	.	S	Bend	trans	-62.8	152.8	174.2	-72	170.7	0	0	0	111.5	D749 P750 Q756	D749-L752 HydrophobicContact CB-CD1 4.31Å; D749-L752 HydrophobicContact CB-CG 4.09Å; D749-L752 WeakPolarHBondContact O-CB 3.32Å; D749-L752 WeakPolarHBondContact O-CG 3.05Å; D749-L752 PolarHBondContact O-N 3.3Å; P750-L752 VanDerWaalsContact C-N 3.32Å; L752-Q756 HydrophobicContact CB-CB 4.07Å; L752-Q756 HydrophobicContact CD2-CB 4.44Å
753	E	89.3	Confident	87.6	Confident	111 Å²	111	71.9 Å²	71.9	52%	0.519	39%	0.391	S	S	.	.			trans	-55.2	144.5	171.6	-161.8	-156.3	146.8	0	0	110	K755 Q756 Y757	E753-K755 PolarHBondContact O-N 3.44Å; E753-Q756 HydrophobicContact CB-CG 4.32Å; E753-Q756 WeakPolarHBondContact O-CA 3.35Å; E753-Q756 WeakPolarHBondContact O-CB 3.39Å; E753-Q756 PolarHBondContact O-N 3.29Å; E753-Y757 PolarHBondContact O-N 3.46Å
754	A	88.5	Confident	87.4	Confident	81 Å²	81	73.5 Å²	73.5	67%	0.669	40%	0.398	S	S	*	.	H	α-helix	trans	-51.1	-35.5	-173.4	0	0	0	0	0	114	K758	A754-K758 WeakPolarHBondContact O-CB 3.3Å; A754-K758 PolarHBondContact O-N 3.42Å; A754-K758 VanDerWaalsContact O-N 3.12Å
755	K	87.4	Confident	87.2	Confident	136 Å²	136	75 Å²	75	59%	0.591	41%	0.414	S	S	*	.	H	α-helix	trans	-69.3	-48.4	174.7	-70.4	177.4	-175.9	165.7	0	112.2	L715 E753 Y757 K758 M759	L715-K755 HydrophobicContact CD1-CB 3.73Å; E753-K755 PolarHBondContact O-N 3.44Å; K755-Y757 VanDerWaalsContact C-N 3.35Å; K755-K758 PolarHBondContact O-N 2.95Å; K755-M759 WeakPolarHBondContact O-CG 3.15Å; K755-M759 PolarHBondContact O-N 2.95Å
756	Q	88.7	Confident	87.1	Confident	14 Å²	14	71.7 Å²	71.7	7%	0.065	39%	0.394	C	S	.	.	H	α-helix	trans	-60.7	-44.4	176.7	-66.8	-178.9	-61.7	0	0	111	Q711 G714 L715 L752 E753 K758 M759 C760	Q711-Q756 PolarHBondContact O-NE2 3.36Å; G714-Q756 PolarHBondContact O-NE2 2.94Å; L715-Q756 HydrophobicContact CB-CG 4.28Å; L715-Q756 HydrophobicContact CD1-CG 3.56Å; L715-Q756 HydrophobicContact CG-CG 4.32Å; L752-Q756 HydrophobicContact CB-CB 4.07Å; L752-Q756 HydrophobicContact CD2-CB 4.44Å; E753-Q756 HydrophobicContact CB-CG 4.32Å; E753-Q756 WeakPolarHBondContact O-CA 3.35Å; E753-Q756 WeakPolarHBondContact O-CB 3.39Å; E753-Q756 PolarHBondContact O-N 3.29Å; Q756-K758 PolarHBondContact O-N 2.95Å; Q756-M759 WeakPolarHBondContact O-CB 3.29Å; Q756-M759 PolarHBondContact O-N 3.46Å; Q756-C760 PolarHBondContact O-N 3.41Å
757	Y	89.4	Confident	87.1	Confident	83 Å²	83	71 Å²	71	33%	0.325	39%	0.391	S	S	.	.	H	α-helix	trans	-59.9	-46	177.7	-175.3	-113	0	0	0	111.8	C748 D749 E753 K755 M759 C760 L761	C748-Y757 HydrophobicContact CB-CD2 4.1Å; C748-Y757 HydrophobicContact CB-CE2 3.81Å; D749-Y757 WeakPolarHBondContact O-CD2 3.21Å; E753-Y757 PolarHBondContact O-N 3.46Å; K755-Y757 VanDerWaalsContact C-N 3.35Å; Y757-M759 PolarHBondContact O-N 3.26Å; Y757-C760 WeakPolarHBondContact O-CB 3.47Å; Y757-C760 PolarHBondContact O-N 2.93Å; Y757-L761 HydrophobicContact CD1-CD1 3.96Å; Y757-L761 HydrophobicContact CD1-CG 4.47Å; Y757-L761 HydrophobicContact CE1-CD1 3.49Å; Y757-L761 VanDerWaalsContact CE1-CD1 3.49Å; Y757-L761 HydrophobicContact CE1-CG 4.15Å; Y757-L761 HydrophobicContact CE2-CG 4.45Å; Y757-L761 WeakPolarHBondContact O-CG 3.38Å; Y757-L761 PolarHBondContact O-N 3.26Å
758	K	88.6	Confident	87.2	Confident	161 Å²	161	68.5 Å²	68.5	70%	0.7	37%	0.372	S	S	*	.	H	α-helix	trans	-62.5	-40.1	175.7	-172.4	177.5	-178.7	178.3	0	112.4	A754 K755 Q756 L761 G762	A754-K758 WeakPolarHBondContact O-CB 3.3Å; A754-K758 PolarHBondContact O-N 3.42Å; A754-K758 VanDerWaalsContact O-N 3.12Å; K755-K758 PolarHBondContact O-N 2.95Å; Q756-K758 PolarHBondContact O-N 2.95Å; K758-L761 PolarHBondContact O-N 3.45Å; K758-G762 PolarHBondContact O-N 2.71Å
759	M	84.3	Confident	87.1	Confident	66 Å²	66	68.2 Å²	68.2	33%	0.325	37%	0.371	S	S	.	.	H	α-helix	trans	-64.5	-39.9	175	-75.1	179	62.9	0	0	112.1	L715 V718 K755 Q756 Y757 G762 S763	L715-M759 HydrophobicContact CD2-SD 4.34Å; L715-M759 HydrophobicContact CG-SD 3.82Å; V718-M759 HydrophobicContact CG2-CE 4.17Å; K755-M759 WeakPolarHBondContact O-CG 3.15Å; K755-M759 PolarHBondContact O-N 2.95Å; Q756-M759 WeakPolarHBondContact O-CB 3.29Å; Q756-M759 PolarHBondContact O-N 3.46Å; Y757-M759 PolarHBondContact O-N 3.26Å; M759-G762 PolarHBondContact O-N 3.3Å; M759-S763 WeakPolarHBondContact O-CB 3.46Å; M759-S763 PolarHBondContact O-N 3.01Å; M759-S763 PolarHBondContact O-OG 3.01Å
760	C	88.4	Confident	87	Confident	4 Å²	4	65 Å²	65	3%	0.027	36%	0.355	C	S	.	.	H	α-helix	trans	-62.6	-48.6	174.7	-177.1	0	0	0	0	111.1	C748 Q756 Y757 G762 S763 K764	C748-C760 WeakPolarHBondContact CA-SG 3.11Å; C748-C760 HydrophobicContact CB-CB 3.82Å; C748-C760 WeakPolarHBondContact CB-SG 3.45Å; C748-C760 WeakPolarHBondContact SG-CB 3.32Å; C748-C760 CovalentContact SG-SG 2.04Å; C748-C760 PolarHBondContact SG-SG 3.46Å; Q756-C760 PolarHBondContact O-N 3.41Å; Y757-C760 WeakPolarHBondContact O-CB 3.47Å; Y757-C760 PolarHBondContact O-N 2.93Å; C760-G762 VanDerWaalsContact C-N 3.29Å; C760-G762 PolarHBondContact O-N 2.88Å; C760-S763 PolarHBondContact O-N 3.37Å; C760-S763 VanDerWaalsContact O-N 3.17Å; C760-K764 WeakPolarHBondContact O-CB 3.37Å; C760-K764 PolarHBondContact O-N 3.09Å
761	L	88.5	Confident	86.5	Confident	73 Å²	73	64.7 Å²	64.7	38%	0.382	35%	0.352	S	S	.	.	H	α-helix	trans	-59.3	-40.8	176.8	-71.1	179.8	0	0	0	112	C748 Y757 K758 K764 A765	C748-L761 HydrophobicContact CB-CD2 4.32Å; Y757-L761 HydrophobicContact CD1-CD1 3.96Å; Y757-L761 HydrophobicContact CD1-CG 4.47Å; Y757-L761 HydrophobicContact CE1-CD1 3.49Å; Y757-L761 VanDerWaalsContact CE1-CD1 3.49Å; Y757-L761 HydrophobicContact CE1-CG 4.15Å; Y757-L761 HydrophobicContact CE2-CG 4.45Å; Y757-L761 WeakPolarHBondContact O-CG 3.38Å; Y757-L761 PolarHBondContact O-N 3.26Å; K758-L761 PolarHBondContact O-N 3.45Å; L761-K764 PolarHBondContact O-N 3.12Å; L761-A765 VanDerWaalsContact O-CB 3.31Å; L761-A765 WeakPolarHBondContact O-CB 3.07Å; L761-A765 PolarHBondContact O-N 3.09Å
762	G	85.8	Confident	86.1	Confident	41 Å²	41	61.5 Å²	61.5	42%	0.423	33%	0.332	S	S	.	.	H	α-helix	trans	-62.5	-45.8	174.5	0	0	0	0	0	112.5	K758 M759 C760 A765 S766	K758-G762 PolarHBondContact O-N 2.71Å; M759-G762 PolarHBondContact O-N 3.3Å; C760-G762 VanDerWaalsContact C-N 3.29Å; C760-G762 PolarHBondContact O-N 2.88Å; G762-A765 PolarHBondContact O-N 2.95Å; G762-S766 WeakPolarHBondContact O-CB 3.37Å; G762-S766 PolarHBondContact O-N 3.27Å; G762-S766 PolarHBondContact O-OG 3.17Å
763	S	84.1	Confident	86	Confident	19 Å²	19	60.6 Å²	60.6	13%	0.133	33%	0.326	C	S	.	.	H	α-helix	trans	-62.8	-44.8	177.4	-60.6	0	0	0	0	111.3	M759 C760 S766 S767	M759-S763 WeakPolarHBondContact O-CB 3.46Å; M759-S763 PolarHBondContact O-N 3.01Å; M759-S763 PolarHBondContact O-OG 3.01Å; C760-S763 PolarHBondContact O-N 3.37Å; C760-S763 VanDerWaalsContact O-N 3.17Å; S763-S766 WeakPolarHBondContact CA-OG 3.41Å; S763-S766 PolarHBondContact O-N 2.76Å; S763-S766 PolarHBondContact O-OG 3.03Å; S763-S767 PolarHBondContact O-N 3.38Å; S763-S767 VanDerWaalsContact O-N 3.12Å
764	K	88.4	Confident	85.7	Confident	64 Å²	64	58.6 Å²	58.6	28%	0.278	32%	0.319	S	S	.	.	H	α-helix	trans	-57.3	-52.6	174.2	-177.8	172.9	-175.3	161.6	0	111.4	V746 C760 L761 S766 S767 Y768	V746-K764 HydrophobicContact CB-CB 3.95Å; V746-K764 HydrophobicContact CB-CG 4.11Å; V746-K764 HydrophobicContact CG1-CB 3.96Å; V746-K764 WeakPolarHBondContact O-CD 3.42Å; V746-K764 WeakPolarHBondContact O-CE 3.4Å; V746-K764 PolarHBondContact O-NZ 2.91Å; C760-K764 WeakPolarHBondContact O-CB 3.37Å; C760-K764 PolarHBondContact O-N 3.09Å; L761-K764 PolarHBondContact O-N 3.12Å; K764-S766 VanDerWaalsContact C-N 3.29Å; K764-S766 PolarHBondContact O-N 3.44Å; K764-S767 PolarHBondContact O-N 3.13Å; K764-S767 PolarHBondContact O-OG 3.15Å; K764-Y768 WeakPolarHBondContact CE-OH 3.09Å; K764-Y768 HydrophobicContact CG-CE2 4.04Å; K764-Y768 WeakPolarHBondContact O-CD2 3.31Å
765	A	85.6	Confident	85.4	Confident	57 Å²	57	57.3 Å²	57.3	47%	0.471	31%	0.305	S	S	.	.	H	α-helix	trans	-57.9	-42.6	178.3	0	0	0	0	0	111.9	L761 G762 S767	L761-A765 VanDerWaalsContact O-CB 3.31Å; L761-A765 WeakPolarHBondContact O-CB 3.07Å; L761-A765 PolarHBondContact O-N 3.09Å; G762-A765 PolarHBondContact O-N 2.95Å; A765-S767 PolarHBondContact O-N 3.23Å
766	S	84.1	Confident	85.2	Confident	35 Å²	35	54.2 Å²	54.2	25%	0.245	29%	0.293	C	S	.	.	H	α-helix	trans	-68.2	-16.2	178.7	71.7	0	0	0	0	114	Y660 Y688 G762 S763 K764	Y660-S766 WeakPolarHBondContact CE1-O 3.3Å; Y688-S766 PolarHBondContact OH-OG 3.22Å; Y688-S766 VanDerWaalsContact OH-OG 3.12Å; G762-S766 WeakPolarHBondContact O-CB 3.37Å; G762-S766 PolarHBondContact O-N 3.27Å; G762-S766 PolarHBondContact O-OG 3.17Å; S763-S766 WeakPolarHBondContact CA-OG 3.41Å; S763-S766 PolarHBondContact O-N 2.76Å; S763-S766 PolarHBondContact O-OG 3.03Å; K764-S766 VanDerWaalsContact C-N 3.29Å; K764-S766 PolarHBondContact O-N 3.44Å
767	S	87.1	Confident	85	Confident	20 Å²	20	57.1 Å²	57.1	14%	0.14	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-6.4	-175.7	72.4	0	0	0	0	114.5	Y660 D661 S763 K764 A765	Y660-S767 CarbonylContact C-O 3.58Å; Y660-S767 VanDerWaalsContact CA-O 3.24Å; Y660-S767 WeakPolarHBondContact CA-O 3.47Å; D661-S767 PolarHBondContact N-O 3.11Å; S763-S767 PolarHBondContact O-N 3.38Å; S763-S767 VanDerWaalsContact O-N 3.12Å; K764-S767 PolarHBondContact O-N 3.13Å; K764-S767 PolarHBondContact O-OG 3.15Å; A765-S767 PolarHBondContact O-N 3.23Å
768	Y	88.8	Confident	84.8	Confident	99 Å²	99	61 Å²	61	39%	0.388	32%	0.323	S	S	.	.	S	Bend	trans	-73.1	-44	-174.5	-80.6	-67	0	0	0	113.6	V664 K764	V664-Y768 WeakPolarHBondContact CB-O 3.13Å; V664-Y768 WeakPolarHBondContact CG1-O 3.3Å; V664-Y768 WeakPolarHBondContact CG2-O 3.45Å; K764-Y768 WeakPolarHBondContact CE-OH 3.09Å; K764-Y768 HydrophobicContact CG-CE2 4.04Å; K764-Y768 WeakPolarHBondContact O-CD2 3.31Å
769	G	85.9	Confident	84.6	Confident	7 Å²	7	55.9 Å²	55.9	7%	0.072	30%	0.303	C	S	.	.			trans	172.9	170.9	-173.5	0	0	0	0	0	111.3
770	S	83.2	Confident	84.5	Confident	10 Å²	10	57.9 Å²	57.9	7%	0.07	31%	0.311	C	S	.	.			trans	-63.6	154.6	171.4	66.7	0	0	0	0	110.7	S680 Q772 Q773 L774	S680-S770 VanDerWaalsContact O-CB 3.31Å; S680-S770 WeakPolarHBondContact O-CB 3.24Å; S770-Q772 PolarHBondContact O-N 2.95Å; S770-Q773 VanDerWaalsContact N-OE1 3.12Å; S770-Q773 PolarHBondContact O-N 3.02Å; S770-Q773 VanDerWaalsContact O-N 3.17Å; S770-Q773 WeakPolarHBondContact OG-CB 3.39Å; S770-Q773 VanDerWaalsContact OG-CG 3.27Å; S770-Q773 WeakPolarHBondContact OG-CG 3.41Å; S770-Q773 PolarHBondContact OG-N 3.02Å; S770-Q773 VanDerWaalsContact OG-N 3.09Å; S770-Q773 PolarHBondContact OG-OE1 3.45Å; S770-L774 WeakPolarHBondContact O-CG 3.45Å; S770-L774 PolarHBondContact O-N 3.43Å
771	T	78.6	Confident	84.3	Confident	95 Å²	95	65.9 Å²	65.9	58%	0.583	35%	0.346	S	S	*	.	H	α-helix	trans	-54.5	-38	174.8	-53.7	0	0	0	0	111.5	S775	T771-S775 WeakPolarHBondContact O-CB 3.45Å; T771-S775 PolarHBondContact O-N 2.97Å; T771-S775 PolarHBondContact O-OG 3.03Å
772	Q	77.3	Confident	84.1	Confident	78 Å²	78	66.6 Å²	66.6	36%	0.364	35%	0.35	S	S	.	.	H	α-helix	trans	-62.1	-55.4	175.8	-178.7	178.5	3	0	0	111.7	S770 L774 S775 E776	S770-Q772 PolarHBondContact O-N 2.95Å; Q772-L774 VanDerWaalsContact C-N 3.28Å; Q772-L774 PolarHBondContact O-N 3.3Å; Q772-S775 PolarHBondContact O-N 3.4Å; Q772-S775 PolarHBondContact O-OG 2.03Å; Q772-E776 HydrophobicContact CG-CG 4.44Å; Q772-E776 VanDerWaalsContact CG-OE1 3.29Å; Q772-E776 WeakPolarHBondContact CG-OE1 3.22Å; Q772-E776 PolarHBondContact NE2-OE1 2.71Å; Q772-E776 WeakPolarHBondContact O-CG 3.25Å; Q772-E776 PolarHBondContact O-N 3.03Å
773	Q	83.6	Confident	83.7	Confident	18 Å²	18	68.5 Å²	68.5	8%	0.084	35%	0.35	C	S	.	.	H	α-helix	trans	-59.2	-39.9	-178.9	-74.4	162.8	-57.5	0	0	112.2	V664 K681 S770 E776 L777	V664-Q773 HydrophobicContact CG1-CB 4.13Å; K681-Q773 PolarHBondContact O-NE2 2.96Å; K681-Q773 PolarHBondContact O-OE1 3.4Å; S770-Q773 VanDerWaalsContact N-OE1 3.12Å; S770-Q773 PolarHBondContact O-N 3.02Å; S770-Q773 VanDerWaalsContact O-N 3.17Å; S770-Q773 WeakPolarHBondContact OG-CB 3.39Å; S770-Q773 VanDerWaalsContact OG-CG 3.27Å; S770-Q773 WeakPolarHBondContact OG-CG 3.41Å; S770-Q773 PolarHBondContact OG-N 3.02Å; S770-Q773 VanDerWaalsContact OG-N 3.09Å; S770-Q773 PolarHBondContact OG-OE1 3.45Å; Q773-E776 PolarHBondContact O-N 2.9Å; Q773-L777 WeakPolarHBondContact O-CB 3.07Å; Q773-L777 WeakPolarHBondContact O-CG 3.33Å; Q773-L777 PolarHBondContact O-N 3.3Å
774	L	84.6	Confident	82.9	Confident	69 Å²	69	76.2 Å²	76.2	36%	0.361	38%	0.384	S	S	.	.	H	α-helix	trans	-68.8	-35.4	177.1	-64.6	177.1	0	0	0	112.1	V664 S770 Q772 W778	V664-L774 HydrophobicContact CG1-CD2 4.34Å; S770-L774 WeakPolarHBondContact O-CG 3.45Å; S770-L774 PolarHBondContact O-N 3.43Å; Q772-L774 VanDerWaalsContact C-N 3.28Å; Q772-L774 PolarHBondContact O-N 3.3Å; L774-W778 WeakPolarHBondContact O-CB 3.43Å; L774-W778 PolarHBondContact O-N 3.18Å
775	S	82.1	Confident	81.7	Confident	55 Å²	55	74.8 Å²	74.8	39%	0.385	39%	0.387	S	S	.	.	H	α-helix	trans	-68.3	-41	174.5	71.6	0	0	0	0	112.2	T771 Q772 W778 L779	T771-S775 WeakPolarHBondContact O-CB 3.45Å; T771-S775 PolarHBondContact O-N 2.97Å; T771-S775 PolarHBondContact O-OG 3.03Å; Q772-S775 PolarHBondContact O-N 3.4Å; Q772-S775 PolarHBondContact O-OG 2.03Å; S775-W778 PolarHBondContact O-N 2.95Å; S775-L779 WeakPolarHBondContact O-CB 3.47Å; S775-L779 VanDerWaalsContact O-CG 3.31Å; S775-L779 WeakPolarHBondContact O-CG 3.32Å; S775-L779 PolarHBondContact O-N 3.41Å
776	E	82.4	Confident	80.6	Confident	70 Å²	70	75.2 Å²	75.2	33%	0.327	38%	0.379	S	S	.	.	H	α-helix	trans	-62.4	-48.7	175.9	-72	168.6	179.6	0	0	110.5	Q772 Q773 W778 L779 E780	Q772-E776 HydrophobicContact CG-CG 4.44Å; Q772-E776 VanDerWaalsContact CG-OE1 3.29Å; Q772-E776 WeakPolarHBondContact CG-OE1 3.22Å; Q772-E776 PolarHBondContact NE2-OE1 2.71Å; Q772-E776 WeakPolarHBondContact O-CG 3.25Å; Q772-E776 PolarHBondContact O-N 3.03Å; Q773-E776 PolarHBondContact O-N 2.9Å; E776-W778 VanDerWaalsContact C-N 3.28Å; E776-W778 PolarHBondContact O-N 2.69Å; E776-L779 PolarHBondContact O-N 3.32Å; E776-E780 WeakPolarHBondContact O-CG 3.45Å; E776-E780 PolarHBondContact O-N 3.45Å
777	L	83.9	Confident	79.3	Confident	76 Å²	76	75.6 Å²	75.6	40%	0.398	39%	0.388	S	S	.	.	H	α-helix	trans	-59.8	-37	175.1	-77.6	169.7	0	0	0	112.9	V664 Q773 K781	V664-L777 HydrophobicContact CG1-CD1 3.83Å; V664-L777 HydrophobicContact CG2-CD1 4.3Å; Q773-L777 WeakPolarHBondContact O-CB 3.07Å; Q773-L777 WeakPolarHBondContact O-CG 3.33Å; Q773-L777 PolarHBondContact O-N 3.3Å; L777-K781 WeakPolarHBondContact O-CB 3.37Å; L777-K781 PolarHBondContact O-N 3.37Å
778	W	85.2	Confident	77.7	Confident	164 Å²	164	82.5 Å²	82.5	62%	0.621	42%	0.416	S	S	*	.	H	α-helix	trans	-69.5	-42.1	176.8	-174.9	92.4	0	0	0	111.5	L774 S775 E776 K781 N782	L774-W778 WeakPolarHBondContact O-CB 3.43Å; L774-W778 PolarHBondContact O-N 3.18Å; S775-W778 PolarHBondContact O-N 2.95Å; E776-W778 VanDerWaalsContact C-N 3.28Å; E776-W778 PolarHBondContact O-N 2.69Å; W778-K781 PolarHBondContact O-N 2.66Å; W778-N782 HydrophobicContact CH2-CB 4.35Å; W778-N782 HydrophobicContact CZ2-CB 4.27Å; W778-N782 PolarHBondContact NE1-ND2 3.11Å; W778-N782 WeakPolarHBondContact O-CB 3.35Å; W778-N782 PolarHBondContact O-N 2.8Å; W778-N782 PolarHBondContact O-ND2 3.35Å
779	L	84.8	Confident	75.8	Confident	54 Å²	54	82.9 Å²	82.9	28%	0.283	42%	0.424	S	S	.	.	H	α-helix	trans	-65.4	-45.4	177	-73.6	169.4	0	0	0	111.4	S775 E776 K781 N782 D783 F786	S775-L779 WeakPolarHBondContact O-CB 3.47Å; S775-L779 VanDerWaalsContact O-CG 3.31Å; S775-L779 WeakPolarHBondContact O-CG 3.32Å; S775-L779 PolarHBondContact O-N 3.41Å; E776-L779 PolarHBondContact O-N 3.32Å; L779-K781 PolarHBondContact O-N 3.1Å; L779-N782 PolarHBondContact O-N 3.11Å; L779-D783 WeakPolarHBondContact O-CA 3.32Å; L779-D783 WeakPolarHBondContact O-CB 3.25Å; L779-D783 PolarHBondContact O-N 2.66Å; L779-F786 HydrophobicContact CB-CD1 3.94Å; L779-F786 HydrophobicContact CB-CD2 4.24Å; L779-F786 HydrophobicContact CB-CE1 4.14Å; L779-F786 HydrophobicContact CB-CE2 4.44Å; L779-F786 HydrophobicContact CB-CG 3.99Å; L779-F786 HydrophobicContact CB-CZ 4.39Å; L779-F786 HydrophobicContact CD1-CD2 4.37Å; L779-F786 HydrophobicContact CD1-CE2 3.96Å; L779-F786 HydrophobicContact CD1-CZ 4.12Å
780	E	82.2	Confident	74.1	Confident	108 Å²	108	85.1 Å²	85.1	51%	0.505	44%	0.441	S	S	.	.	H	α-helix	trans	-56.3	-35.4	176	-76.2	179.7	172.2	0	0	112.8	E776 F786	E776-E780 WeakPolarHBondContact O-CG 3.45Å; E776-E780 PolarHBondContact O-N 3.45Å; E780-F786 HydrophobicContact CG-CD1 3.83Å; E780-F786 HydrophobicContact CG-CE1 4.15Å
781	K	83.6	Confident	72.2	Confident	172 Å²	172	89.1 Å²	89.1	75%	0.748	47%	0.47	S	S	*	.	H	α-helix	trans	-83.5	-31.4	-178	-168.3	174.7	-179.8	-179.8	0	113.7	L777 W778 L779	L777-K781 WeakPolarHBondContact O-CB 3.37Å; L777-K781 PolarHBondContact O-N 3.37Å; W778-K781 PolarHBondContact O-N 2.66Å; L779-K781 PolarHBondContact O-N 3.1Å
782	N	84.7	Confident	70.3	Confident	88 Å²	88	87.6 Å²	87.6	47%	0.471	46%	0.463	S	S	.	.	H	α-helix	trans	-112.6	-11.5	-170.1	-61.6	-72.3	0	0	0	114.3	W778 L779	W778-N782 HydrophobicContact CH2-CB 4.35Å; W778-N782 HydrophobicContact CZ2-CB 4.27Å; W778-N782 PolarHBondContact NE1-ND2 3.11Å; W778-N782 WeakPolarHBondContact O-CB 3.35Å; W778-N782 PolarHBondContact O-N 2.8Å; W778-N782 PolarHBondContact O-ND2 3.35Å; L779-N782 PolarHBondContact O-N 3.11Å
783	D	78.6	Confident	68.4	Low	80 Å²	80	88.2 Å²	88.2	43%	0.428	47%	0.469	S	S	.	.			trans	-121.1	101.6	175.6	-173.8	-5.2	0	0	0	110.6	L779 G785 F786	L779-D783 WeakPolarHBondContact O-CA 3.32Å; L779-D783 WeakPolarHBondContact O-CB 3.25Å; L779-D783 PolarHBondContact O-N 2.66Å; D783-G785 PolarHBondContact O-N 3.24Å; D783-G785 PolarHBondContact OD1-N 2.88Å; D783-F786 HydrophobicContact CB-CB 4.22Å; D783-F786 PolarHBondContact O-N 3.27Å
784	H	65.7	Low	66.1	Low	181 Å²	181	92.3 Å²	92.3	84%	0.838	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-12.8	-178.9	-64.3	-61.2	0	0	0	114.2
785	G	63.9	Low	63.8	Low	34 Å²	34	94 Å²	94	35%	0.351	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-23.6	174.6	0	0	0	0	0	114.5	D783 K788	D783-G785 PolarHBondContact O-N 3.24Å; D783-G785 PolarHBondContact OD1-N 2.88Å; G785-K788 PolarHBondContact O-N 2.89Å
786	F	62.6	Low	61.4	Low	67 Å²	67	95.2 Å²	95.2	29%	0.294	53%	0.528	S	S	.	.	H	α-helix	trans	-70.9	-41.7	-169.9	-167.5	-100.5	0	0	0	112.9	L779 E780 D783 K788 L789 A790	L779-F786 HydrophobicContact CB-CD1 3.94Å; L779-F786 HydrophobicContact CB-CD2 4.24Å; L779-F786 HydrophobicContact CB-CE1 4.14Å; L779-F786 HydrophobicContact CB-CE2 4.44Å; L779-F786 HydrophobicContact CB-CG 3.99Å; L779-F786 HydrophobicContact CB-CZ 4.39Å; L779-F786 HydrophobicContact CD1-CD2 4.37Å; L779-F786 HydrophobicContact CD1-CE2 3.96Å; L779-F786 HydrophobicContact CD1-CZ 4.12Å; E780-F786 HydrophobicContact CG-CD1 3.83Å; E780-F786 HydrophobicContact CG-CE1 4.15Å; D783-F786 HydrophobicContact CB-CB 4.22Å; D783-F786 PolarHBondContact O-N 3.27Å; F786-K788 PolarHBondContact O-N 3.06Å; F786-L789 PolarHBondContact O-N 2.74Å; F786-L789 VanDerWaalsContact O-N 3.14Å; F786-A790 PolarHBondContact O-N 2.71Å
787	G	56.1	Low	59.4	Low	43 Å²	43	103.5 Å²	103.5	44%	0.443	56%	0.556	S	S	.	*	H	α-helix	trans	-63.3	-22.1	178.7	0	0	0	0	0	114.7
788	K	53.2	Low	57.3	Low	165 Å²	165	105.8 Å²	105.8	72%	0.717	57%	0.573	S	S	*	*	H	α-helix	trans	-80	-27.4	176.1	-74.9	-176.8	178.5	178.1	0	113.3	G785 F786 S791	G785-K788 PolarHBondContact O-N 2.89Å; F786-K788 PolarHBondContact O-N 3.06Å; K788-S791 PolarHBondContact O-OG 2.96Å
789	L	50.6	Low	54.8	Low	107 Å²	107	103.9 Å²	103.9	56%	0.56	59%	0.593	S	S	*	*	H	α-helix	trans	-81.6	-32.1	174.3	-92.7	106.9	0	0	0	112.7	F786 S791 S792 N793	F786-L789 PolarHBondContact O-N 2.74Å; F786-L789 VanDerWaalsContact O-N 3.14Å; L789-S791 VanDerWaalsContact C-N 3.33Å; L789-S791 PolarHBondContact O-N 2.68Å; L789-S792 WeakPolarHBondContact CA-OG 3.38Å; L789-S792 PolarHBondContact O-N 3.34Å; L789-S792 PolarHBondContact O-OG 2.67Å; L789-N793 WeakPolarHBondContact O-CB 3.28Å; L789-N793 PolarHBondContact O-N 3.04Å
790	A	48.4	Very low	53.3	Low	53 Å²	53	106.4 Å²	106.4	44%	0.438	61%	0.609	S	S	.	*	H	α-helix	trans	-65.8	-34.3	179.4	0	0	0	0	0	112.7	F786	F786-A790 PolarHBondContact O-N 2.71Å
791	S	44.7	Very low	51.7	Low	95 Å²	95	106.3 Å²	106.3	66%	0.664	61%	0.614	S	S	*	*	H	α-helix	trans	-77.9	-25	176.9	69.9	0	0	0	0	113.6	K788 L789	K788-S791 PolarHBondContact O-OG 2.96Å; L789-S791 VanDerWaalsContact C-N 3.33Å; L789-S791 PolarHBondContact O-N 2.68Å
792	S	38.5	Very low	50	Low	63 Å²	63	102.7 Å²	102.7	44%	0.441	61%	0.607	S	S	.	*	H	α-helix	trans	-81.6	-19	175.9	63.6	0	0	0	0	113.6	L789 A794	L789-S792 WeakPolarHBondContact CA-OG 3.38Å; L789-S792 PolarHBondContact O-N 3.34Å; L789-S792 PolarHBondContact O-OG 2.67Å; S792-A794 PolarHBondContact O-N 3.15Å
793	N	38	Very low	47.9	Very low	91 Å²	91	103.5 Å²	103.5	49%	0.487	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.6	5.7	-173.9	-81.7	-6.3	0	0	0	115.1	L789 S795	L789-N793 WeakPolarHBondContact O-CB 3.28Å; L789-N793 PolarHBondContact O-N 3.04Å; N793-S795 PolarHBondContact O-N 3.35Å
794	A	35.3	Very low	46	Very low	103 Å²	103	105 Å²	105	85%	0.851	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-12	169.1	0	0	0	0	0	113.2	S792	S792-A794 PolarHBondContact O-N 3.15Å
795	S	34.5	Very low	44.7	Very low	105 Å²	105	99.9 Å²	99.9	73%	0.734	61%	0.612	S	S	*	*	S	Bend	trans	-120.2	3.2	176.8	81.8	0	0	0	0	116	N793	N793-S795 PolarHBondContact O-N 3.35Å
796	V	31.8	Very low	43.3	Very low	81 Å²	81	104.6 Å²	104.6	49%	0.491	63%	0.631	S	S	.	*			trans	-115.2	76.2	179.6	-168.9	0	0	0	0	109.9	T798	V796-T798 PolarHBondContact O-N 3.23Å
797	R	41.5	Very low	41.9	Very low	243 Å²	243	107.5 Å²	107.5	92%	0.917	66%	0.657	S	S	*	*			trans	-65.3	111.3	149.8	-86.5	-177	172.7	-179.4	-2.1	107.4
798	T	40.2	Very low	40.7	Very low	124 Å²	124	112.9 Å²	112.9	76%	0.761	68%	0.675	S	S	*	*			trans	172.6	147.7	151	38.4	0	0	0	0	107.7	V796	V796-T798 PolarHBondContact O-N 3.23Å
799	A	31.4	Very low	39.5	Very low	125 Å²	125	108.2 Å²	108.2	100%	1.033	67%	0.671	S	S	*	*			cis	-143.8	0	26.6	0	0	0	0	0	110.5	R367	R367-A799 VanDerWaalsContact CZ-OXT 3.27Å; R367-A799 PolarHBondContact NH1-OXT 2.89Å; R367-A799 PolarHBondContact NH2-O 3.07Å; R367-A799 PolarHBondContact NH2-OXT 2.64Å

Retrieved 799 of 799 residues in 718.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).