G4VSW3_SCHMA Loading...

Proteasome subunit beta

Component of the proteasome, a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity.

AlphaFold DB , UniProt , Accession G4VSW3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 281 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	48.6	Very low	242 Å²	242	147.9 Å²	147.9	100%	1.192	81%	0.807	S	S	*	*				0	92.5	0	-76.1	-170.2	-103.5	0	0	107.7	S3	M1-S3 PolarHBondContact O-N 3.27Å; M1-S3 VanDerWaalsContact O-N 3.12Å
2	S	42.3	Very low	50.1	Low	118 Å²	118	139.7 Å²	139.7	83%	0.825	78%	0.782	S	S	*	*			trans	-63	112	172.2	46.1	0	0	0	0	107.2	L4	S2-L4 PolarHBondContact O-N 3.21Å
3	S	43.3	Very low	51.2	Low	98 Å²	98	135.7 Å²	135.7	69%	0.685	75%	0.751	S	S	*	*			trans	-59.9	108.4	172.9	55	0	0	0	0	107.4	M1 V5	M1-S3 PolarHBondContact O-N 3.27Å; M1-S3 VanDerWaalsContact O-N 3.12Å; S3-V5 PolarHBondContact O-N 2.86Å
4	L	47.6	Very low	52.4	Low	165 Å²	165	131.2 Å²	131.2	86%	0.864	73%	0.734	S	S	*	*			trans	-55.6	82.1	149.7	-74.6	157.1	0	0	0	105.9	S2 V6	S2-L4 PolarHBondContact O-N 3.21Å; L4-V6 PolarHBondContact O-N 3.43Å
5	V	46.2	Very low	53.8	Low	114 Å²	114	129 Å²	129	69%	0.691	71%	0.714	S	S	*	*			trans	-65	95.2	164	179	0	0	0	0	103.4	S3 D7	S3-V5 PolarHBondContact O-N 2.86Å; V5-D7 PolarHBondContact O-N 3.4Å
6	V	50.4	Low	55.6	Low	120 Å²	120	130.3 Å²	130.3	73%	0.727	71%	0.713	S	S	*	*			trans	-49.6	104.7	157	171.5	0	0	0	0	103.8	L4 R8	L4-V6 PolarHBondContact O-N 3.43Å; V6-R8 VanDerWaalsContact C-N 3.26Å; V6-R8 PolarHBondContact O-N 3.39Å
7	D	53.2	Low	57	Low	141 Å²	141	128.9 Å²	128.9	75%	0.754	71%	0.705	S	S	*	*			trans	-53.4	101.1	173.6	-168.4	17.7	0	0	0	105.5	V5 R9	V5-D7 PolarHBondContact O-N 3.4Å; D7-R9 VanDerWaalsContact C-N 3.32Å; D7-R9 PolarHBondContact O-N 3.23Å
8	R	51.6	Low	58.1	Low	226 Å²	226	123.8 Å²	123.8	85%	0.853	68%	0.68	S	S	*	*			trans	-64.2	104.8	-177.1	-88.6	-175.2	172	-179	-1.4	103.2	V6 S10	V6-R8 VanDerWaalsContact C-N 3.26Å; V6-R8 PolarHBondContact O-N 3.39Å; R8-S10 PolarHBondContact O-N 2.99Å
9	R	53	Low	59.4	Low	241 Å²	241	125.7 Å²	125.7	91%	0.909	68%	0.677	S	S	*	*			trans	-52	95.2	171.5	-69.5	-176.2	178.4	-177.9	-0.4	107.1	D7 G11	D7-R9 VanDerWaalsContact C-N 3.32Å; D7-R9 PolarHBondContact O-N 3.23Å; R9-G11 PolarHBondContact O-N 3.38Å
10	S	56.1	Low	60.7	Low	89 Å²	89	126.1 Å²	126.1	62%	0.622	67%	0.668	S	S	*	*			trans	-60.6	131.7	172.9	50.8	0	0	0	0	105.9	R8 G12	R8-S10 PolarHBondContact O-N 2.99Å; S10-G12 PolarHBondContact O-N 2.94Å
11	G	51.7	Low	61.8	Low	73 Å²	73	122.4 Å²	122.4	75%	0.753	65%	0.649	S	S	*	*	S	Bend	trans	-54.3	128.4	-166.4	0	0	0	0	0	112.9	R9 F13	R9-G11 PolarHBondContact O-N 3.38Å; G11-F13 VanDerWaalsContact C-N 3.29Å; G11-F13 PolarHBondContact O-N 3.45Å
12	G	66.2	Low	64	Low	49 Å²	49	117 Å²	117	51%	0.505	62%	0.619	S	S	.	*	S	Bend	trans	75.6	-52.4	155.6	0	0	0	0	0	117.3	S10 Q127	S10-G12 PolarHBondContact O-N 2.94Å; G12-Q127 PolarHBondContact O-NE2 3.46Å
13	F	65.2	Low	66.1	Low	88 Å²	88	114.4 Å²	114.4	39%	0.386	60%	0.595	S	S	.	*			trans	-145	117	-166.5	-55	-81.8	0	0	0	111.2	G11 F15 Y126 Q127	G11-F13 VanDerWaalsContact C-N 3.29Å; G11-F13 PolarHBondContact O-N 3.45Å; F13-F15 HydrophobicContact CB-CD2 4.07Å; F13-F15 HydrophobicContact CB-CE2 3.33Å; F13-F15 HydrophobicContact CB-CZ 3.62Å; F13-F15 HydrophobicContact CD1-CZ 4.32Å; F13-F15 HydrophobicContact CG-CE2 4.18Å; F13-F15 HydrophobicContact CG-CZ 4.13Å; F13-Y126 HydrophobicContact CE1-CD1 4.43Å; F13-Y126 HydrophobicContact CE1-CE1 4.39Å; F13-Y126 HydrophobicContact CZ-CE1 4.14Å; F13-Q127 HydrophobicContact CD1-CG 4.24Å
14	S	67.6	Low	68.2	Low	73 Å²	73	112 Å²	112	51%	0.51	57%	0.574	S	S	.	*			trans	-98.9	113.9	170.4	177.4	0	0	0	0	109.3
15	F	73.7	Confident	70	Confident	98 Å²	98	109.8 Å²	109.8	43%	0.43	56%	0.559	S	S	.	*			trans	-106	12.2	177.8	-61.9	-72.6	0	0	0	112.7	F13 N17 C18 Y19 Q129	F13-F15 HydrophobicContact CB-CD2 4.07Å; F13-F15 HydrophobicContact CB-CE2 3.33Å; F13-F15 HydrophobicContact CB-CZ 3.62Å; F13-F15 HydrophobicContact CD1-CZ 4.32Å; F13-F15 HydrophobicContact CG-CE2 4.18Å; F13-F15 HydrophobicContact CG-CZ 4.13Å; F15-N17 PolarHBondContact O-N 2.99Å; F15-C18 HydrophobicContact CB-CB 4.36Å; F15-C18 WeakPolarHBondContact O-CA 3.46Å; F15-C18 WeakPolarHBondContact O-CB 3.36Å; F15-C18 PolarHBondContact O-N 3.49Å; F15-Y19 PolarHBondContact O-N 2.65Å; F15-Q129 HydrophobicContact CE1-CG 4.41Å
16	E	81.7	Confident	72.1	Confident	149 Å²	149	111 Å²	111	70%	0.696	56%	0.557	S	S	*	*	H	α-helix	trans	-55.5	-41.3	-178.4	-70.7	-174.2	162.6	0	0	111.8	Y19 R20	E16-Y19 PolarHBondContact O-N 2.86Å; E16-R20 VanDerWaalsContact O-CB 3.24Å; E16-R20 WeakPolarHBondContact O-CB 3.22Å; E16-R20 PolarHBondContact O-N 3.49Å
17	N	79.9	Confident	74	Confident	108 Å²	108	112.9 Å²	112.9	58%	0.578	56%	0.556	S	S	*	*	H	α-helix	trans	-66.4	-38.1	176.3	-71.9	-25.5	0	0	0	112.6	F15 N21	F15-N17 PolarHBondContact O-N 2.99Å; N17-N21 VanDerWaalsContact O-CB 3.31Å; N17-N21 WeakPolarHBondContact O-CB 3.46Å; N17-N21 PolarHBondContact O-N 3.25Å; N17-N21 PolarHBondContact O-ND2 3.24Å; N17-N21 PolarHBondContact O-OD1 3Å
18	C	77.7	Confident	75.6	Confident	37 Å²	37	109.4 Å²	109.4	25%	0.25	55%	0.553	C	S	.	*	H	α-helix	trans	-66.2	-44.1	176.8	-62.7	0	0	0	0	110.5	F15 N21 K22	F15-C18 HydrophobicContact CB-CB 4.36Å; F15-C18 WeakPolarHBondContact O-CA 3.46Å; F15-C18 WeakPolarHBondContact O-CB 3.36Å; F15-C18 PolarHBondContact O-N 3.49Å; C18-N21 PolarHBondContact O-N 3.36Å; C18-K22 WeakPolarHBondContact O-CB 3.46Å; C18-K22 PolarHBondContact O-N 2.6Å
19	Y	81.5	Confident	77.1	Confident	160 Å²	160	105.2 Å²	105.2	63%	0.627	54%	0.541	S	S	*	.	H	α-helix	trans	-64.4	-45.4	176.7	-176.8	-106.2	0	0	0	111.9	F15 E16 N21 K22 L23	F15-Y19 PolarHBondContact O-N 2.65Å; E16-Y19 PolarHBondContact O-N 2.86Å; Y19-N21 PolarHBondContact O-N 3.27Å; Y19-K22 PolarHBondContact O-N 2.86Å; Y19-L23 HydrophobicContact CD1-CD1 3.76Å; Y19-L23 HydrophobicContact CE1-CD1 3.24Å; Y19-L23 HydrophobicContact CE1-CG 4.21Å; Y19-L23 HydrophobicContact CE2-CD1 4.49Å; Y19-L23 PolarHBondContact O-N 3.19Å
20	R	86	Confident	78.3	Confident	133 Å²	133	102.9 Å²	102.9	50%	0.502	54%	0.541	S	S	.	.	H	α-helix	trans	-57.1	-48.4	174.1	-175.5	-161.7	71.7	113	1.6	111.4	E16 K22 L23 I24	E16-R20 VanDerWaalsContact O-CB 3.24Å; E16-R20 WeakPolarHBondContact O-CB 3.22Å; E16-R20 PolarHBondContact O-N 3.49Å; R20-K22 VanDerWaalsContact C-N 3.32Å; R20-K22 PolarHBondContact O-N 2.83Å; R20-L23 PolarHBondContact O-N 3.06Å; R20-I24 HydrophobicContact CG-CD1 3.95Å; R20-I24 VanDerWaalsContact O-CG1 3.31Å; R20-I24 WeakPolarHBondContact O-CG1 3.38Å; R20-I24 PolarHBondContact O-N 2.9Å
21	N	83.5	Confident	79.1	Confident	49 Å²	49	101.5 Å²	101.5	26%	0.262	53%	0.526	S	S	.	.	H	α-helix	trans	-61.4	-42.2	179.5	-70.8	-3.5	0	0	0	111.1	N17 C18 Y19 L23 I24 E25 L31	N17-N21 VanDerWaalsContact O-CB 3.31Å; N17-N21 WeakPolarHBondContact O-CB 3.46Å; N17-N21 PolarHBondContact O-N 3.25Å; N17-N21 PolarHBondContact O-ND2 3.24Å; N17-N21 PolarHBondContact O-OD1 3Å; C18-N21 PolarHBondContact O-N 3.36Å; Y19-N21 PolarHBondContact O-N 3.27Å; N21-L23 PolarHBondContact O-N 2.93Å; N21-I24 PolarHBondContact O-N 2.85Å; N21-E25 WeakPolarHBondContact O-CB 3.25Å; N21-E25 PolarHBondContact O-N 2.85Å; N21-L31 HydrophobicContact CB-CD1 3.99Å; N21-L31 HydrophobicContact CB-CD2 4.08Å
22	K	84.9	Confident	80.2	Confident	129 Å²	129	104 Å²	104	56%	0.561	53%	0.529	S	S	*	.	H	α-helix	trans	-63.2	-40	176.2	-166.8	173.3	-174.6	175.6	0	112.7	C18 Y19 R20 E25 Q26	C18-K22 WeakPolarHBondContact O-CB 3.46Å; C18-K22 PolarHBondContact O-N 2.6Å; Y19-K22 PolarHBondContact O-N 2.86Å; R20-K22 VanDerWaalsContact C-N 3.32Å; R20-K22 PolarHBondContact O-N 2.83Å; K22-E25 PolarHBondContact O-N 3.12Å; K22-Q26 WeakPolarHBondContact O-CG 3.39Å; K22-Q26 PolarHBondContact O-N 2.79Å
23	L	88	Confident	80.5	Confident	62 Å²	62	111 Å²	111	33%	0.325	55%	0.545	S	S	.	.	H	α-helix	trans	-65.7	-38.1	174	-89	166.4	0	0	0	112.8	Y19 R20 N21 Q26 K27	Y19-L23 HydrophobicContact CD1-CD1 3.76Å; Y19-L23 HydrophobicContact CE1-CD1 3.24Å; Y19-L23 HydrophobicContact CE1-CG 4.21Å; Y19-L23 HydrophobicContact CE2-CD1 4.49Å; Y19-L23 PolarHBondContact O-N 3.19Å; R20-L23 PolarHBondContact O-N 3.06Å; N21-L23 PolarHBondContact O-N 2.93Å; L23-Q26 PolarHBondContact O-N 3Å; L23-K27 WeakPolarHBondContact O-CG 3.31Å; L23-K27 PolarHBondContact O-N 3.02Å
24	I	86.2	Confident	80.8	Confident	49 Å²	49	110 Å²	110	25%	0.251	55%	0.554	S	S	.	*	H	α-helix	trans	-66.8	-42.9	176.7	-71.7	169.7	0	0	0	110.3	R20 N21 Q26 K27 F29	R20-I24 HydrophobicContact CG-CD1 3.95Å; R20-I24 VanDerWaalsContact O-CG1 3.31Å; R20-I24 WeakPolarHBondContact O-CG1 3.38Å; R20-I24 PolarHBondContact O-N 2.9Å; N21-I24 PolarHBondContact O-N 2.85Å; I24-Q26 PolarHBondContact O-N 2.86Å; I24-K27 WeakPolarHBondContact O-CA 3.42Å; I24-K27 WeakPolarHBondContact O-CB 3.04Å; I24-K27 PolarHBondContact O-N 3.05Å; I24-F29 HydrophobicContact CG2-CB 3.55Å; I24-F29 HydrophobicContact CG2-CD2 4.33Å; I24-F29 HydrophobicContact CG2-CG 4.2Å; I24-F29 PolarHBondContact O-N 2.85Å
25	E	86.7	Confident	81	Confident	117 Å²	117	109.8 Å²	109.8	55%	0.547	55%	0.549	S	S	.	.	H	α-helix	trans	-61.3	-42.8	175.3	-171.8	177.1	-141.6	0	0	111.5	N21 K22 K27 G28 L31	N21-E25 WeakPolarHBondContact O-CB 3.25Å; N21-E25 PolarHBondContact O-N 2.85Å; K22-E25 PolarHBondContact O-N 3.12Å; E25-K27 PolarHBondContact O-N 3.09Å; E25-G28 PolarHBondContact O-N 2.95Å; E25-L31 HydrophobicContact CB-CD1 4.4Å
26	Q	89.7	Confident	80.8	Confident	141 Å²	141	112.7 Å²	112.7	66%	0.659	56%	0.562	S	S	*	*	H	α-helix	trans	-61.4	-25	173.3	-76.4	177.5	-9.3	0	0	113.8	K22 L23 I24 G28	K22-Q26 WeakPolarHBondContact O-CG 3.39Å; K22-Q26 PolarHBondContact O-N 2.79Å; L23-Q26 PolarHBondContact O-N 3Å; I24-Q26 PolarHBondContact O-N 2.86Å; Q26-G28 PolarHBondContact O-N 3.04Å
27	K	89.5	Confident	80.5	Confident	158 Å²	158	106.8 Å²	106.8	69%	0.687	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	5.7	174.7	-71.2	177.8	179.4	-174.5	0	113.3	L23 I24 E25 F29	L23-K27 WeakPolarHBondContact O-CG 3.31Å; L23-K27 PolarHBondContact O-N 3.02Å; I24-K27 WeakPolarHBondContact O-CA 3.42Å; I24-K27 WeakPolarHBondContact O-CB 3.04Å; I24-K27 PolarHBondContact O-N 3.05Å; E25-K27 PolarHBondContact O-N 3.09Å; K27-F29 HydrophobicContact CB-CD2 4.02Å; K27-F29 HydrophobicContact CB-CE2 4.29Å
28	G	87.4	Confident	80.7	Confident	68 Å²	68	102.1 Å²	102.1	70%	0.701	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	11.2	175.9	0	0	0	0	0	114.9	E25 Q26	E25-G28 PolarHBondContact O-N 2.95Å; Q26-G28 PolarHBondContact O-N 3.04Å
29	F	82.1	Confident	81.5	Confident	138 Å²	138	100.4 Å²	100.4	61%	0.605	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-88.7	122.7	174	-69.1	-85.9	0	0	0	110.2	I24 K27 L31	I24-F29 HydrophobicContact CG2-CB 3.55Å; I24-F29 HydrophobicContact CG2-CD2 4.33Å; I24-F29 HydrophobicContact CG2-CG 4.2Å; I24-F29 PolarHBondContact O-N 2.85Å; K27-F29 HydrophobicContact CB-CD2 4.02Å; K27-F29 HydrophobicContact CB-CE2 4.29Å; F29-L31 PolarHBondContact O-N 2.81Å
30	E	79	Confident	82.3	Confident	192 Å²	192	92.8 Å²	92.8	90%	0.897	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-71.3	125.4	173.7	-66.1	-169.9	166.2	0	0	110.5
31	L	73.5	Confident	82.8	Confident	61 Å²	61	86.4 Å²	86.4	32%	0.319	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-71.5	139.4	175.2	-68.8	166.5	0	0	0	109.9	N21 E25 F29 K33	N21-L31 HydrophobicContact CB-CD1 3.99Å; N21-L31 HydrophobicContact CB-CD2 4.08Å; E25-L31 HydrophobicContact CB-CD1 4.4Å; F29-L31 PolarHBondContact O-N 2.81Å; L31-K33 PolarHBondContact O-N 3.04Å; L31-K33 VanDerWaalsContact O-N 3.16Å
32	P	75	Confident	83.5	Confident	125 Å²	125	84.1 Å²	84.1	81%	0.812	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-60.2	122.2	174.2	23.9	-31.5	0	0	0	109.4
33	K	72.4	Confident	84.2	Confident	195 Å²	195	78 Å²	78	85%	0.848	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-76.8	126	176.8	-70.7	-179.8	-177.6	171.6	0	109	L31 V35	L31-K33 PolarHBondContact O-N 3.04Å; L31-K33 VanDerWaalsContact O-N 3.16Å; K33-V35 PolarHBondContact O-N 3.11Å; K33-V35 VanDerWaalsContact O-N 3.16Å
34	A	70.3	Confident	84.7	Confident	69 Å²	69	75 Å²	75	57%	0.57	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-59.8	119.5	171	0	0	0	0	0	109.2	K36 T86	A34-K36 PolarHBondContact O-N 3.31Å; A34-T86 HydrophobicContact CB-CG2 4.24Å
35	V	71.5	Confident	85.3	Confident	68 Å²	68	74.2 Å²	74.2	41%	0.412	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-79.3	119.4	178.8	-171.2	0	0	0	0	108	K33 E60	K33-V35 PolarHBondContact O-N 3.11Å; K33-V35 VanDerWaalsContact O-N 3.16Å; V35-E60 HydrophobicContact CB-CG 4.37Å; V35-E60 HydrophobicContact CG1-CB 4.43Å; V35-E60 HydrophobicContact CG1-CG 3.86Å; V35-E60 HydrophobicContact CG2-CG 4.37Å
36	K	69.7	Low	85.8	Confident	158 Å²	158	68.8 Å²	68.8	69%	0.687	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-82.6	137.3	176.9	-67	-176.5	178.7	-179.2	0	109.6	A34	A34-K36 PolarHBondContact O-N 3.31Å
37	T	76.9	Confident	86.1	Confident	25 Å²	25	67.2 Å²	67.2	15%	0.153	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-90	138.7	170.7	53.6	0	0	0	0	109.5	A58 T59 G85 A87	T37-A58 HydrophobicContact CG2-CB 4.18Å; T37-T59 WeakPolarHBondContact CG2-O 3.44Å; T37-G85 PolarHBondContact N-O 3.29Å; T37-G85 PolarHBondContact OG1-O 2.82Å; T37-A87 HydrophobicContact CG2-CB 4.24Å
38	G	82.7	Confident	86.4	Confident	10 Å²	10	64.2 Å²	64.2	10%	0.103	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-65.3	139.8	160.9	0	0	0	0	0	110.6	T59 S167 G206	G38-T59 PolarHBondContact N-OG1 3.43Å; G38-S167 WeakPolarHBondContact CA-OG 3.38Å; G38-G206 CarbonylContact C-O 3.6Å; G38-G206 WeakPolarHBondContact CA-O 3.5Å; G38-G206 VanDerWaalsContact O-O 3.12Å
39	T	94.8	Very high	86.9	Confident	1 Å²	1	61 Å²	61	1%	0.006	31%	0.314	C	S	.	.			trans	-162.6	142.9	-171.2	-65.3	0	0	0	0	110.4	I41 K71 A84 G166 S167 G168 S207	T39-I41 HydrophobicContact CG2-CG2 3.7Å; T39-K71 HydrophobicContact CG2-CD 3.41Å; T39-K71 VanDerWaalsContact CG2-CD 3.41Å; T39-K71 VanDerWaalsContact OG1-CE 3.3Å; T39-K71 WeakPolarHBondContact OG1-CE 3.17Å; T39-A84 HydrophobicContact CG2-CB 3.87Å; T39-G166 CarbonylContact O-C 3.59Å; T39-G166 VanDerWaalsContact O-C 3.23Å; T39-G166 WeakPolarHBondContact O-CA 3.38Å; T39-S167 PolarHBondContact N-OG 3.34Å; T39-S167 PolarHBondContact O-N 2.85Å; T39-S167 PolarHBondContact O-OG 3.38Å; T39-G168 PolarHBondContact O-N 3.39Å; T39-S207 VanDerWaalsContact C-OG 3.25Å
40	T	97.6	Very high	87.6	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.2	165	-57.8	0	0	0	0	108.5	A54 D55 G168 C172 I197 S207	T40-A54 WeakPolarHBondContact O-CA 3.29Å; T40-D55 PolarHBondContact N-OD1 3.15Å; T40-D55 PolarHBondContact O-N 2.98Å; T40-D55 VanDerWaalsContact O-N 3.12Å; T40-G168 WeakPolarHBondContact OG1-CA 3.33Å; T40-C172 HydrophobicContact CG2-CB 3.75Å; T40-I197 HydrophobicContact CG2-CD1 3.81Å; T40-S207 PolarHBondContact N-OG 2.95Å; T40-S207 WeakPolarHBondContact OG1-CB 3.49Å; T40-S207 PolarHBondContact OG1-OG 3.02Å
41	I	97.9	Very high	88.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143	172.9	55.9	168.6	0	0	0	109.2	T39 G53 A54 K71 C82 A84 V137 T164 M165	T39-I41 HydrophobicContact CG2-CG2 3.7Å; I41-G53 WeakPolarHBondContact CA-O 3.43Å; I41-A54 HydrophobicContact CG2-CB 3.7Å; I41-K71 HydrophobicContact CG2-CB 4.47Å; I41-C82 HydrophobicContact CB-CB 3.85Å; I41-C82 HydrophobicContact CD1-CB 3.72Å; I41-C82 HydrophobicContact CG1-CB 4.37Å; I41-C82 HydrophobicContact CG2-CB 3.86Å; I41-A84 HydrophobicContact CD1-CB 3.67Å; I41-A84 HydrophobicContact CG1-CB 3.98Å; I41-V137 HydrophobicContact CD1-CB 4.3Å; I41-V137 HydrophobicContact CD1-CG2 3.77Å; I41-V137 HydrophobicContact CG1-CG2 4.19Å; I41-T164 CarbonylContact O-C 3.6Å; I41-T164 WeakPolarHBondContact O-CA 3.49Å; I41-M165 HydrophobicContact CD1-CB 3.88Å; I41-M165 HydrophobicContact CG1-CB 3.77Å; I41-M165 VanDerWaalsContact CG1-O 3.3Å; I41-M165 WeakPolarHBondContact CG1-O 3.35Å; I41-M165 PolarHBondContact N-O 2.82Å; I41-M165 PolarHBondContact O-N 3.42Å
42	C	98.2	Very high	89.8	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	166.6	174.3	71.8	0	0	0	0	112.4	L52 G53 I163 T164 L176 I197	C42-L52 WeakPolarHBondContact O-CA 3.31Å; C42-G53 PolarHBondContact N-O 3.2Å; C42-G53 PolarHBondContact O-N 2.92Å; C42-I163 CarbonylContact C-O 3.53Å; C42-I163 WeakPolarHBondContact CA-O 3.33Å; C42-I163 VanDerWaalsContact CB-O 3.3Å; C42-I163 WeakPolarHBondContact CB-O 3.48Å; C42-T164 HydrophobicContact CB-CG2 3.88Å; C42-L176 HydrophobicContact CB-CD1 4.3Å; C42-I197 HydrophobicContact CB-CD1 4.22Å; C42-I197 WeakPolarHBondContact SG-CD1 3.4Å
43	G	98.4	Very high	90.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	148.6	172	0	0	0	0	0	110.8	V51 L148 Y162 I163	G43-V51 CarbonylContact C-O 3.23Å; G43-V51 WeakPolarHBondContact CA-O 3.2Å; G43-L148 VanDerWaalsContact C-CD2 3.42Å; G43-L148 WeakPolarHBondContact O-CD2 3.44Å; G43-Y162 CarbonylContact O-C 3.5Å; G43-Y162 WeakPolarHBondContact O-CA 3.37Å; G43-I163 PolarHBondContact N-O 3.01Å; G43-I163 PolarHBondContact O-N 3.07Å
44	V	98.6	Very high	92.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	131.3	178	176.3	0	0	0	0	108.8	V50 V51 L176 F180 M184 L192 V193	V44-V50 WeakPolarHBondContact O-CA 3.48Å; V44-V51 PolarHBondContact N-O 3Å; V44-V51 PolarHBondContact O-N 3.22Å; V44-L176 HydrophobicContact CG2-CD1 4.33Å; V44-L176 HydrophobicContact CG2-CD2 3.92Å; V44-F180 HydrophobicContact CG1-CD2 3.95Å; V44-F180 HydrophobicContact CG1-CE2 3.77Å; V44-M184 HydrophobicContact CG1-CE 3.67Å; V44-L192 HydrophobicContact CG2-CD2 4.45Å; V44-V193 HydrophobicContact CB-CG2 3.89Å; V44-V193 HydrophobicContact CG2-CG2 3.6Å
45	V	98.5	Very high	93.4	Very high	33 Å²	33	23.8 Å²	23.8	20%	0.2	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	129.2	168.9	-179.3	0	0	0	0	108.3	V50 P146 L148 P161	V45-V50 HydrophobicContact CG2-CG2 4.3Å; V45-P146 HydrophobicContact CG1-CB 3.99Å; V45-P146 HydrophobicContact CG1-CG 3.84Å; V45-L148 HydrophobicContact CG2-CB 3.56Å; V45-L148 HydrophobicContact CG2-CD2 4.17Å; V45-P161 WeakPolarHBondContact CB-O 3.35Å; V45-P161 PolarHBondContact N-O 3.04Å
46	F	97.9	Very high	94.6	Very high	3 Å²	3	20.6 Å²	20.6	1%	0.013	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	174.7	173.4	74.5	-84.8	0	0	0	109.4	N48 G49 V50 V51 M184 Q186 A189 I215 T217	F46-N48 HydrophobicContact CD2-CB 4.43Å; F46-N48 HydrophobicContact CE2-CB 3.87Å; F46-N48 PolarHBondContact O-N 2.84Å; F46-G49 VanDerWaalsContact CD1-O 3.24Å; F46-G49 WeakPolarHBondContact CD1-O 3.33Å; F46-G49 VanDerWaalsContact CE1-CA 3.45Å; F46-G49 PolarHBondContact N-O 3.34Å; F46-G49 PolarHBondContact O-N 3.37Å; F46-V50 VanDerWaalsContact CE1-N 3.29Å; F46-V51 HydrophobicContact CD1-CG2 3.73Å; F46-V51 HydrophobicContact CE1-CG2 3.72Å; F46-M184 WeakPolarHBondContact CB-O 3.41Å; F46-Q186 HydrophobicContact CD2-CB 4.21Å; F46-Q186 HydrophobicContact CE2-CB 3.73Å; F46-Q186 HydrophobicContact CE2-CG 4.01Å; F46-Q186 HydrophobicContact CZ-CB 4.25Å; F46-Q186 HydrophobicContact CZ-CG 3.99Å; F46-A189 HydrophobicContact CB-CB 3.62Å; F46-A189 HydrophobicContact CD1-CB 4.33Å; F46-A189 HydrophobicContact CG-CB 4.1Å; F46-I215 HydrophobicContact CE1-CG2 4.36Å; F46-I215 HydrophobicContact CZ-CG2 4.23Å; F46-T217 HydrophobicContact CZ-CG2 3.97Å
47	K	96.1	Very high	95.8	Very high	107 Å²	107	15.8 Å²	15.8	47%	0.465	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-41.1	-170.4	-175.6	176.4	171.8	-178	0	114.8	D183 M184 E185	K47-D183 HydrophobicContact CB-CB 4.46Å; K47-M184 WeakPolarHBondContact CB-O 3.36Å; K47-M184 PolarHBondContact N-O 3.36Å; K47-M184 VanDerWaalsContact N-O 3.12Å; K47-E185 WeakPolarHBondContact CD-OE1 3.45Å; K47-E185 IonicContact NZ-OE1 2.86Å; K47-E185 PolarHBondContact NZ-OE1 3.23Å
48	N	95.4	Very high	96.7	Very high	95 Å²	95	15.1 Å²	15.1	51%	0.508	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	7.2	-173.8	-60.6	-34.6	0	0	0	113.9	F46	F46-N48 HydrophobicContact CD2-CB 4.43Å; F46-N48 HydrophobicContact CE2-CB 3.87Å; F46-N48 PolarHBondContact O-N 2.84Å
49	G	97.8	Very high	97.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.1	-159.4	-171	0	0	0	0	0	116.2	F46 I216	F46-G49 VanDerWaalsContact CD1-O 3.24Å; F46-G49 WeakPolarHBondContact CD1-O 3.33Å; F46-G49 VanDerWaalsContact CE1-CA 3.45Å; F46-G49 PolarHBondContact N-O 3.34Å; F46-G49 PolarHBondContact O-N 3.37Å; G49-I216 CarbonylContact C-O 3.56Å; G49-I216 WeakPolarHBondContact CA-O 3.18Å
50	V	98.4	Very high	96.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.3	177.1	-176.3	0	0	0	0	109.1	V44 V45 F46 L52 P146 L148 I216	V44-V50 WeakPolarHBondContact O-CA 3.48Å; V45-V50 HydrophobicContact CG2-CG2 4.3Å; F46-V50 VanDerWaalsContact CE1-N 3.29Å; V50-L52 HydrophobicContact CG1-CD2 4.06Å; V50-L52 HydrophobicContact CG1-CG 4.37Å; V50-P146 HydrophobicContact CG2-CB 3.69Å; V50-L148 HydrophobicContact CG1-CD1 3.9Å; V50-I216 PolarHBondContact N-O 3.16Å; V50-I216 PolarHBondContact O-N 2.78Å
51	V	98.5	Very high	96.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.6	167.6	-176	0	0	0	0	108.2	G43 V44 F46 A189 V190 V193 I213 C214 I215	G43-V51 CarbonylContact C-O 3.23Å; G43-V51 WeakPolarHBondContact CA-O 3.2Å; V44-V51 PolarHBondContact N-O 3Å; V44-V51 PolarHBondContact O-N 3.22Å; F46-V51 HydrophobicContact CD1-CG2 3.73Å; F46-V51 HydrophobicContact CE1-CG2 3.72Å; V51-A189 HydrophobicContact CG2-CB 4.01Å; V51-V190 HydrophobicContact CG1-CG2 4.27Å; V51-V190 HydrophobicContact CG2-CG2 4.04Å; V51-V193 HydrophobicContact CB-CG2 4.07Å; V51-V193 HydrophobicContact CG1-CB 4.01Å; V51-V193 HydrophobicContact CG1-CG1 4.08Å; V51-V193 HydrophobicContact CG1-CG2 3.84Å; V51-I213 HydrophobicContact CG1-CG2 3.77Å; V51-C214 CarbonylContact C-O 3.57Å; V51-C214 WeakPolarHBondContact CA-O 3.25Å; V51-I215 HydrophobicContact CG2-CG1 4.37Å
52	L	98.6	Very high	96	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	142	170.9	-60.9	178.6	0	0	0	109.4	C42 V50 V137 L148 I213 C214 I216	C42-L52 WeakPolarHBondContact O-CA 3.31Å; V50-L52 HydrophobicContact CG1-CD2 4.06Å; V50-L52 HydrophobicContact CG1-CG 4.37Å; L52-V137 HydrophobicContact CD2-CG1 4.04Å; L52-L148 HydrophobicContact CD2-CD1 3.74Å; L52-I213 WeakPolarHBondContact O-CA 3.48Å; L52-C214 HydrophobicContact CB-CB 4.29Å; L52-C214 PolarHBondContact N-O 3.49Å; L52-C214 PolarHBondContact O-N 2.83Å; L52-I216 HydrophobicContact CD1-CD1 4.13Å
53	G	98.2	Very high	95.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.4	177.2	0	0	0	0	0	111.9	I41 C42 D212	I41-G53 WeakPolarHBondContact CA-O 3.43Å; C42-G53 PolarHBondContact N-O 3.2Å; C42-G53 PolarHBondContact O-N 2.92Å; G53-D212 WeakPolarHBondContact CA-O 3.46Å
54	A	98	Very high	95.5	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	151.2	174.8	0	0	0	0	0	111.5	T40 I41 K71 I72 D212	T40-A54 WeakPolarHBondContact O-CA 3.29Å; I41-A54 HydrophobicContact CG2-CB 3.7Å; A54-K71 HydrophobicContact CB-CB 4.03Å; A54-I72 HydrophobicContact CB-CD1 4.14Å; A54-I72 HydrophobicContact CB-CG1 3.77Å; A54-D212 PolarHBondContact N-O 3.37Å; A54-D212 PolarHBondContact O-N 3.46Å
55	D	97.4	Very high	95.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	162.5	166.1	79.8	-56.5	0	0	0	111.5	T40 K71 I197 I201 S207 G208 N210	T40-D55 PolarHBondContact N-OD1 3.15Å; T40-D55 PolarHBondContact O-N 2.98Å; T40-D55 VanDerWaalsContact O-N 3.12Å; D55-K71 WeakPolarHBondContact O-CD 3.48Å; D55-K71 PolarHBondContact O-NZ 3.02Å; D55-K71 IonicContact OD1-NZ 3.06Å; D55-K71 PolarHBondContact OD1-NZ 3.29Å; D55-K71 IonicContact OD2-NZ 2.74Å; D55-K71 PolarHBondContact OD2-NZ 2.8Å; D55-I197 HydrophobicContact CB-CG2 4.06Å; D55-I201 HydrophobicContact CB-CD1 4.33Å; D55-I201 HydrophobicContact CB-CG1 4.11Å; D55-S207 WeakPolarHBondContact OD2-CA 3.35Å; D55-G208 PolarHBondContact OD2-N 3.13Å; D55-N210 WeakPolarHBondContact CA-O 3.43Å
56	T	96.6	Very high	95.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.254	C	S	.	.			trans	-107.4	1.8	-174.4	63.5	0	0	0	0	115.4	K67 N68 C69 G208 S209 N210 D212	T56-K67 CarbonylContact O-C 3.45Å; T56-K67 PolarHBondContact OG1-O 3.01Å; T56-N68 PolarHBondContact O-N 3.01Å; T56-C69 WeakPolarHBondContact CA-O 3.41Å; T56-C69 WeakPolarHBondContact CB-O 3.26Å; T56-C69 WeakPolarHBondContact O-CB 3.27Å; T56-C69 PolarHBondContact O-N 2.77Å; T56-G208 PolarHBondContact N-O 3.19Å; T56-S209 WeakPolarHBondContact OG1-CB 3.47Å; T56-N210 HydrophobicContact CG2-CB 4Å; T56-N210 PolarHBondContact N-O 2.87Å; T56-N210 WeakPolarHBondContact OG1-CB 3.42Å; T56-N210 PolarHBondContact OG1-N 2.94Å; T56-D212 HydrophobicContact CG2-CB 4.37Å; T56-D212 VanDerWaalsContact CG2-CG 3.44Å; T56-D212 WeakPolarHBondContact CG2-OD1 3.41Å; T56-D212 WeakPolarHBondContact CG2-OD2 3.39Å
57	R	95.2	Very high	94.9	Very high	58 Å²	58	50.8 Å²	50.8	22%	0.219	28%	0.282	C	S	.	.			trans	-77	133.4	175.6	177.9	174.9	-67.7	177.8	4.9	112.1	T59 V64 K71 M205 G206 S207 G208	R57-T59 HydrophobicContact CG-CG2 4.01Å; R57-V64 HydrophobicContact CG-CG1 3.99Å; R57-V64 HydrophobicContact CG-CG2 4.26Å; R57-K71 WeakPolarHBondContact O-CE 3.29Å; R57-K71 PolarHBondContact O-NZ 3.32Å; R57-M205 PolarHBondContact NH1-O 3.49Å; R57-G206 WeakPolarHBondContact CD-O 3.39Å; R57-S207 PolarHBondContact NH1-O 3.24Å; R57-S207 VanDerWaalsContact NH1-O 3.13Å; R57-G208 WeakPolarHBondContact CB-O 3.37Å; R57-G208 PolarHBondContact N-O 3.13Å; R57-G208 VanDerWaalsContact N-O 3.13Å
58	A	94.7	Very high	94.9	Very high	11 Å²	11	49.1 Å²	49.1	9%	0.091	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.7	165.2	0	0	0	0	0	109.8	T37 A65 E66 C69	T37-A58 HydrophobicContact CG2-CB 4.18Å; A58-A65 PolarHBondContact O-N 2.83Å; A58-E66 HydrophobicContact CB-CB 4.23Å; A58-E66 PolarHBondContact N-O 3.07Å; A58-E66 PolarHBondContact O-N 3.04Å; A58-E66 VanDerWaalsContact O-N 3.11Å; A58-C69 HydrophobicContact CB-CB 3.91Å
59	T	93.4	Very high	94.8	Very high	15 Å²	15	46 Å²	46	9%	0.092	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.2	-179.8	60.8	0	0	0	0	111.5	T37 G38 R57 V63 V64	T37-T59 WeakPolarHBondContact CG2-O 3.44Å; G38-T59 PolarHBondContact N-OG1 3.43Å; R57-T59 HydrophobicContact CG-CG2 4.01Å; T59-V63 CarbonylContact C-O 3.49Å; T59-V63 VanDerWaalsContact CA-O 3.26Å; T59-V63 WeakPolarHBondContact CA-O 3.4Å; T59-V64 HydrophobicContact CG2-CG2 4.38Å
60	E	90.1	Very high	94.7	Very high	130 Å²	130	48 Å²	48	61%	0.607	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	100.6	166.2	-168.4	179.4	172.9	0	0	107.9	V35 T62 V63 A65	V35-E60 HydrophobicContact CB-CG 4.37Å; V35-E60 HydrophobicContact CG1-CB 4.43Å; V35-E60 HydrophobicContact CG1-CG 3.86Å; V35-E60 HydrophobicContact CG2-CG 4.37Å; E60-T62 PolarHBondContact O-N 2.98Å; E60-V63 PolarHBondContact N-O 3.26Å; E60-V63 PolarHBondContact O-N 3.38Å; E60-V63 VanDerWaalsContact O-N 3.17Å; E60-A65 HydrophobicContact CB-CB 3.94Å
61	G	86.3	Confident	94.6	Very high	49 Å²	49	48.5 Å²	48.5	51%	0.505	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	-120.9	-169.1	0	0	0	0	0	110.3
62	T	89.2	Confident	94.5	Very high	149 Å²	149	48.7 Å²	48.7	91%	0.914	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-1	179.7	57.9	0	0	0	0	113.5	E60	E60-T62 PolarHBondContact O-N 2.98Å
63	V	92.8	Very high	94.5	Very high	96 Å²	96	50.4 Å²	50.4	58%	0.582	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.2	-176.9	-179.4	0	0	0	0	109.7	T59 E60 A65	T59-V63 CarbonylContact C-O 3.49Å; T59-V63 VanDerWaalsContact CA-O 3.26Å; T59-V63 WeakPolarHBondContact CA-O 3.4Å; E60-V63 PolarHBondContact N-O 3.26Å; E60-V63 PolarHBondContact O-N 3.38Å; E60-V63 VanDerWaalsContact O-N 3.17Å; V63-A65 PolarHBondContact O-N 3.26Å
64	V	94.4	Very high	94.5	Very high	53 Å²	53	56.4 Å²	56.4	32%	0.321	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	106	171.9	179.8	0	0	0	0	108.7	R57 T59 K67	R57-V64 HydrophobicContact CG-CG1 3.99Å; R57-V64 HydrophobicContact CG-CG2 4.26Å; T59-V64 HydrophobicContact CG2-CG2 4.38Å; V64-K67 HydrophobicContact CG1-CG 3.86Å
65	A	93.9	Very high	94.5	Very high	67 Å²	67	56.5 Å²	56.5	55%	0.554	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	-44.7	179.4	0	0	0	0	0	111.3	A58 E60 V63	A58-A65 PolarHBondContact O-N 2.83Å; E60-A65 HydrophobicContact CB-CB 3.94Å; V63-A65 PolarHBondContact O-N 3.26Å
66	E	94.5	Very high	94.5	Very high	101 Å²	101	57 Å²	57	47%	0.472	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135.8	178.7	-169.3	170.3	-158.2	0	0	111	A58 C69	A58-E66 HydrophobicContact CB-CB 4.23Å; A58-E66 PolarHBondContact N-O 3.07Å; A58-E66 PolarHBondContact O-N 3.04Å; A58-E66 VanDerWaalsContact O-N 3.11Å; E66-C69 HydrophobicContact CB-CB 4.43Å; E66-C69 HydrophobicContact CG-CB 4.26Å
67	K	94.1	Very high	94.5	Very high	135 Å²	135	64.2 Å²	64.2	59%	0.587	35%	0.349	S	S	*	.	S	Bend	trans	-94	-15.6	-178.5	-66.6	-177.2	-179.7	-176	0	113.8	T56 V64 S209	T56-K67 CarbonylContact O-C 3.45Å; T56-K67 PolarHBondContact OG1-O 3.01Å; V64-K67 HydrophobicContact CG1-CG 3.86Å; K67-S209 WeakPolarHBondContact O-CB 3.21Å; K67-S209 PolarHBondContact O-OG 3.41Å
68	N	94.7	Very high	94.6	Very high	72 Å²	72	62.2 Å²	62.2	39%	0.385	34%	0.343	S	S	.	.	S	Bend	trans	-135.8	44.4	-173.5	-165.6	12.2	0	0	0	112.9	T56 R225	T56-N68 PolarHBondContact O-N 3.01Å; N68-R225 PolarHBondContact O-NH2 2.92Å; N68-R225 PolarHBondContact OD1-NH2 3.35Å
69	C	94.4	Very high	94.7	Very high	29 Å²	29	61.7 Å²	61.7	20%	0.196	34%	0.338	C	S	.	.			trans	-74.1	141.1	177.8	-166.5	0	0	0	0	111.1	T56 A58 E66	T56-C69 WeakPolarHBondContact CA-O 3.41Å; T56-C69 WeakPolarHBondContact CB-O 3.26Å; T56-C69 WeakPolarHBondContact O-CB 3.27Å; T56-C69 PolarHBondContact O-N 2.77Å; A58-C69 HydrophobicContact CB-CB 3.91Å; E66-C69 HydrophobicContact CB-CB 4.43Å; E66-C69 HydrophobicContact CG-CB 4.26Å
70	S	94.7	Very high	95	Very high	42 Å²	42	62.4 Å²	62.4	29%	0.294	34%	0.339	S	S	.	.			trans	-93.8	116.9	175.9	-175.9	0	0	0	0	110.2	I72 Y223	S70-I72 PolarHBondContact OG-O 2.86Å; S70-Y223 PolarHBondContact OG-OH 3.16Å
71	K	96.5	Very high	95.4	Very high	11 Å²	11	56.2 Å²	56.2	5%	0.048	31%	0.311	C	S	.	.			trans	-103	-7.9	179.4	-56.3	-171.5	-176.5	119.1	0	113.9	T39 I41 A54 D55 R57 H73 C82 G83	T39-K71 HydrophobicContact CG2-CD 3.41Å; T39-K71 VanDerWaalsContact CG2-CD 3.41Å; T39-K71 VanDerWaalsContact OG1-CE 3.3Å; T39-K71 WeakPolarHBondContact OG1-CE 3.17Å; I41-K71 HydrophobicContact CG2-CB 4.47Å; A54-K71 HydrophobicContact CB-CB 4.03Å; D55-K71 WeakPolarHBondContact O-CD 3.48Å; D55-K71 PolarHBondContact O-NZ 3.02Å; D55-K71 IonicContact OD1-NZ 3.06Å; D55-K71 PolarHBondContact OD1-NZ 3.29Å; D55-K71 IonicContact OD2-NZ 2.74Å; D55-K71 PolarHBondContact OD2-NZ 2.8Å; R57-K71 WeakPolarHBondContact O-CE 3.29Å; R57-K71 PolarHBondContact O-NZ 3.32Å; K71-H73 PolarHBondContact O-CD2 3.47Å; K71-C82 CarbonylContact O-C 3.6Å; K71-C82 VanDerWaalsContact O-CA 3.29Å; K71-C82 WeakPolarHBondContact O-CA 3.42Å; K71-G83 PolarHBondContact O-N 3.13Å
72	I	97.8	Very high	95.9	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	113	175	-46.2	-169.6	0	0	0	107.8	A54 S70 Y80 D212 C214 Y223	A54-I72 HydrophobicContact CB-CD1 4.14Å; A54-I72 HydrophobicContact CB-CG1 3.77Å; S70-I72 PolarHBondContact OG-O 2.86Å; I72-Y80 HydrophobicContact CG2-CD1 3.95Å; I72-Y80 HydrophobicContact CG2-CG 4.48Å; I72-D212 HydrophobicContact CD1-CB 4.26Å; I72-C214 HydrophobicContact CD1-CB 4.01Å; I72-C214 HydrophobicContact CG2-CB 4.04Å; I72-Y223 HydrophobicContact CB-CE2 4.16Å; I72-Y223 HydrophobicContact CD1-CE2 3.99Å; I72-Y223 HydrophobicContact CG1-CE2 4.38Å
73	H	97.8	Very high	96.3	Very high	36 Å²	36	47 Å²	47	17%	0.167	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.1	-176.9	-54.4	-72.1	0	0	0	110.7	K71 Y80 C81 T94	K71-H73 PolarHBondContact O-CD2 3.47Å; H73-Y80 CarbonylContact O-C 3.56Å; H73-Y80 WeakPolarHBondContact O-CA 3.21Å; H73-C81 WeakPolarHBondContact CB-O 3.43Å; H73-C81 PolarHBondContact N-O 3.37Å; H73-C81 PolarHBondContact O-N 3.34Å; H73-T94 HydrophobicContact CB-CG2 4.23Å
74	R	97.9	Very high	96.4	Very high	125 Å²	125	42.5 Å²	42.5	47%	0.472	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	129.4	173.8	179.5	177.6	169.7	-99.4	4.8	109.7	Y80	R74-Y80 HydrophobicContact CB-CD1 4.17Å; R74-Y80 HydrophobicContact CB-CE1 3.7Å; R74-Y80 HydrophobicContact CG-CE1 4.17Å; R74-Y80 HydrophobicContact CG-CE2 4.44Å
75	I	97.9	Very high	96.3	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-50.1	171.1	-59.1	-61.3	0	0	0	110.2	I79 C81 T94 S98 V101 P117 L138	I75-I79 HydrophobicContact CB-CB 4.28Å; I75-I79 HydrophobicContact CB-CG2 4.11Å; I75-I79 WeakPolarHBondContact CB-O 3.39Å; I75-I79 HydrophobicContact CG2-CG2 4.4Å; I75-I79 PolarHBondContact N-O 3.26Å; I75-C81 HydrophobicContact CD1-CB 4.06Å; I75-C81 HydrophobicContact CG1-CB 3.76Å; I75-T94 HydrophobicContact CD1-CG2 4.27Å; I75-T94 WeakPolarHBondContact CD1-O 3.46Å; I75-S98 PolarHBondContact O-OG 3.33Å; I75-V101 HydrophobicContact CG2-CB 4.34Å; I75-V101 HydrophobicContact CG2-CG1 4.45Å; I75-V101 HydrophobicContact CG2-CG2 4.12Å; I75-P117 HydrophobicContact CG2-CB 3.99Å; I75-P117 HydrophobicContact CG2-CG 4.26Å; I75-L138 HydrophobicContact CG1-CD1 4.38Å
76	S	97.2	Very high	96.3	Very high	12 Å²	12	38.5 Å²	38.5	8%	0.084	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	-179.3	170.7	63.4	0	0	0	0	109	N78 I79	S76-N78 PolarHBondContact O-N 2.68Å; S76-N78 PolarHBondContact OG-OD1 3.36Å; S76-I79 PolarHBondContact N-O 2.67Å; S76-I79 PolarHBondContact O-N 2.91Å; S76-I79 VanDerWaalsContact OG-CB 3.27Å; S76-I79 WeakPolarHBondContact OG-CB 3.5Å; S76-I79 WeakPolarHBondContact OG-CD1 3.37Å; S76-I79 VanDerWaalsContact OG-CG1 3.24Å; S76-I79 WeakPolarHBondContact OG-CG1 3.29Å; S76-I79 PolarHBondContact OG-N 3.04Å
77	E	96.3	Very high	96.2	Very high	151 Å²	151	35.7 Å²	35.7	71%	0.706	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.8	179.3	-60.2	-165.5	154.1	0	0	113.5	T221	E77-T221 PolarHBondContact O-OG1 2.99Å
78	N	97.6	Very high	96.2	Very high	16 Å²	16	32.1 Å²	32.1	9%	0.086	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	4.7	-177.4	68.4	-47.8	0	0	0	114	S76 T111 P112 G140 V141 I216	S76-N78 PolarHBondContact O-N 2.68Å; S76-N78 PolarHBondContact OG-OD1 3.36Å; N78-T111 HydrophobicContact CB-CG2 4.34Å; N78-T111 WeakPolarHBondContact ND2-CG2 3.27Å; N78-P112 PolarHBondContact ND2-O 2.83Å; N78-G140 CarbonylContact O-C 3.54Å; N78-G140 WeakPolarHBondContact O-CA 3.19Å; N78-V141 WeakPolarHBondContact CB-O 3.3Å; N78-V141 PolarHBondContact ND2-O 2.9Å; N78-V141 PolarHBondContact O-N 2.73Å; N78-I216 WeakPolarHBondContact O-CG2 3.26Å
79	I	98.3	Very high	96.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	125.4	-174.7	-51.5	170.7	0	0	0	110.3	I75 S76 P112 V114 P117 L138 G139	I75-I79 HydrophobicContact CB-CB 4.28Å; I75-I79 HydrophobicContact CB-CG2 4.11Å; I75-I79 WeakPolarHBondContact CB-O 3.39Å; I75-I79 HydrophobicContact CG2-CG2 4.4Å; I75-I79 PolarHBondContact N-O 3.26Å; S76-I79 PolarHBondContact N-O 2.67Å; S76-I79 PolarHBondContact O-N 2.91Å; S76-I79 VanDerWaalsContact OG-CB 3.27Å; S76-I79 WeakPolarHBondContact OG-CB 3.5Å; S76-I79 WeakPolarHBondContact OG-CD1 3.37Å; S76-I79 VanDerWaalsContact OG-CG1 3.24Å; S76-I79 WeakPolarHBondContact OG-CG1 3.29Å; S76-I79 PolarHBondContact OG-N 3.04Å; I79-P112 HydrophobicContact CD1-CB 4.4Å; I79-P112 HydrophobicContact CD1-CG 4.31Å; I79-V114 HydrophobicContact CD1-CG2 4.35Å; I79-V114 HydrophobicContact CG1-CG2 4.21Å; I79-P117 HydrophobicContact CD1-CG 3.83Å; I79-P117 HydrophobicContact CG2-CG 4.21Å; I79-L138 HydrophobicContact CG2-CD1 3.6Å; I79-L138 HydrophobicContact CG2-CG 4.3Å; I79-G139 WeakPolarHBondContact CA-O 3.47Å
80	Y	98.6	Very high	96.2	Very high	29 Å²	29	29.7 Å²	29.7	11%	0.114	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	156.7	173.8	-75.7	-109.8	0	0	0	110.7	I72 H73 R74 G139 I216 T221	I72-Y80 HydrophobicContact CG2-CD1 3.95Å; I72-Y80 HydrophobicContact CG2-CG 4.48Å; H73-Y80 CarbonylContact O-C 3.56Å; H73-Y80 WeakPolarHBondContact O-CA 3.21Å; R74-Y80 HydrophobicContact CB-CD1 4.17Å; R74-Y80 HydrophobicContact CB-CE1 3.7Å; R74-Y80 HydrophobicContact CG-CE1 4.17Å; R74-Y80 HydrophobicContact CG-CE2 4.44Å; Y80-G139 PolarHBondContact N-O 3.36Å; Y80-G139 PolarHBondContact O-N 3.29Å; Y80-I216 HydrophobicContact CD2-CD1 4.07Å; Y80-I216 HydrophobicContact CD2-CG1 4.33Å; Y80-I216 HydrophobicContact CG-CD1 4.42Å; Y80-T221 HydrophobicContact CD2-CG2 3.87Å; Y80-T221 HydrophobicContact CE2-CG2 3.36Å
81	C	98.2	Very high	96.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	121.5	-175.8	-170.4	0	0	0	0	109.9	H73 I75 T94 V137 L138	H73-C81 WeakPolarHBondContact CB-O 3.43Å; H73-C81 PolarHBondContact N-O 3.37Å; H73-C81 PolarHBondContact O-N 3.34Å; I75-C81 HydrophobicContact CD1-CB 4.06Å; I75-C81 HydrophobicContact CG1-CB 3.76Å; C81-T94 HydrophobicContact CB-CG2 4.11Å; C81-V137 CarbonylContact C-O 3.56Å; C81-V137 WeakPolarHBondContact CA-O 3.46Å; C81-L138 HydrophobicContact CB-CD1 3.95Å
82	C	97.9	Very high	96.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	135.6	171.5	-58.4	0	0	0	0	110.2	I41 K71 L136 V137	I41-C82 HydrophobicContact CB-CB 3.85Å; I41-C82 HydrophobicContact CD1-CB 3.72Å; I41-C82 HydrophobicContact CG1-CB 4.37Å; I41-C82 HydrophobicContact CG2-CB 3.86Å; K71-C82 CarbonylContact O-C 3.6Å; K71-C82 VanDerWaalsContact O-CA 3.29Å; K71-C82 WeakPolarHBondContact O-CA 3.42Å; C82-L136 VanDerWaalsContact O-CA 3.31Å; C82-L136 WeakPolarHBondContact O-CA 3.29Å; C82-V137 HydrophobicContact CB-CB 4.23Å; C82-V137 PolarHBondContact N-O 3.38Å; C82-V137 PolarHBondContact O-N 3.37Å
83	G	96.5	Very high	96.1	Very high	4 Å²	4	38.3 Å²	38.3	4%	0.041	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.7	177.6	0	0	0	0	0	113.5	K71	K71-G83 PolarHBondContact O-N 3.13Å
84	A	95.6	Very high	96	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.017	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	158.5	167.8	0	0	0	0	0	110.8	T39 I41 T90 A135	T39-A84 HydrophobicContact CG2-CB 3.87Å; I41-A84 HydrophobicContact CD1-CB 3.67Å; I41-A84 HydrophobicContact CG1-CB 3.98Å; A84-T90 WeakPolarHBondContact O-CG2 3.47Å; A84-A135 HydrophobicContact CB-CB 4.28Å; A84-A135 PolarHBondContact N-O 2.99Å; A84-A135 PolarHBondContact O-N 3.47Å
85	G	92.9	Very high	96	Very high	20 Å²	20	36 Å²	36	21%	0.206	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103	-126.7	-177.5	0	0	0	0	0	111.8	T37 A87	T37-G85 PolarHBondContact N-O 3.29Å; T37-G85 PolarHBondContact OG1-O 2.82Å; G85-A87 PolarHBondContact O-N 3.14Å
86	T	93.3	Very high	96	Very high	16 Å²	16	38.8 Å²	38.8	10%	0.098	22%	0.215	C	C	.	.	S	Bend	trans	-79.8	112.9	176.6	-52.6	0	0	0	0	109.5	A34 A88 D89 T90 G133	A34-T86 HydrophobicContact CB-CG2 4.24Å; T86-A88 VanDerWaalsContact C-N 3.31Å; T86-A88 PolarHBondContact O-N 3.26Å; T86-D89 VanDerWaalsContact CB-OD2 3.25Å; T86-D89 WeakPolarHBondContact CB-OD2 3.3Å; T86-D89 HydrophobicContact CG2-CB 4.27Å; T86-D89 WeakPolarHBondContact O-CB 3.42Å; T86-D89 PolarHBondContact O-N 3.06Å; T86-D89 VanDerWaalsContact O-N 3.11Å; T86-D89 PolarHBondContact OG1-OD2 3.15Å; T86-T90 PolarHBondContact O-N 3.3Å; T86-T90 PolarHBondContact O-OG1 3.38Å; T86-G133 PolarHBondContact N-O 2.91Å
87	A	92.6	Very high	96	Very high	43 Å²	43	38.3 Å²	38.3	36%	0.355	21%	0.211	S	C	.	.	H	α-helix	trans	-57.6	-39.3	-174.5	0	0	0	0	0	113.9	T37 G85 T90 Q91	T37-A87 HydrophobicContact CG2-CB 4.24Å; G85-A87 PolarHBondContact O-N 3.14Å; A87-T90 WeakPolarHBondContact CA-OG1 3.37Å; A87-T90 PolarHBondContact O-N 3.49Å; A87-T90 PolarHBondContact O-OG1 3.4Å; A87-Q91 WeakPolarHBondContact O-CB 3.46Å; A87-Q91 PolarHBondContact O-N 2.96Å
88	A	92.8	Very high	96	Very high	59 Å²	59	31.7 Å²	31.7	49%	0.488	18%	0.182	S	C	.	.	H	α-helix	trans	-65.4	-41.6	177.8	0	0	0	0	0	112.2	T86 Q91 M92	T86-A88 VanDerWaalsContact C-N 3.31Å; T86-A88 PolarHBondContact O-N 3.26Å; A88-Q91 PolarHBondContact O-N 3.22Å; A88-M92 WeakPolarHBondContact O-CB 3.34Å; A88-M92 WeakPolarHBondContact O-CG 3.41Å; A88-M92 PolarHBondContact O-N 3.09Å
89	D	94.3	Very high	96	Very high	43 Å²	43	34 Å²	34	23%	0.23	20%	0.199	C	C	.	.	H	α-helix	trans	-64.4	-46.2	178.1	-68.5	-21.8	0	0	0	110.5	T86 Q91 M92 V93 V132 G133 A134	T86-D89 VanDerWaalsContact CB-OD2 3.25Å; T86-D89 WeakPolarHBondContact CB-OD2 3.3Å; T86-D89 HydrophobicContact CG2-CB 4.27Å; T86-D89 WeakPolarHBondContact O-CB 3.42Å; T86-D89 PolarHBondContact O-N 3.06Å; T86-D89 VanDerWaalsContact O-N 3.11Å; T86-D89 PolarHBondContact OG1-OD2 3.15Å; D89-Q91 VanDerWaalsContact C-N 3.34Å; D89-Q91 PolarHBondContact O-N 3.31Å; D89-M92 PolarHBondContact O-N 2.89Å; D89-V93 VanDerWaalsContact O-CB 3.26Å; D89-V93 WeakPolarHBondContact O-CB 3.33Å; D89-V93 WeakPolarHBondContact O-CG2 3.32Å; D89-V93 PolarHBondContact O-N 3.42Å; D89-V132 HydrophobicContact CB-CG1 3.85Å; D89-G133 PolarHBondContact OD2-N 3.41Å; D89-A134 HydrophobicContact CB-CB 4.31Å
90	T	94.8	Very high	96	Very high	7 Å²	7	38 Å²	38	4%	0.043	22%	0.218	C	C	.	.	H	α-helix	trans	-61.8	-43.2	179.7	54.5	0	0	0	0	111.4	A84 T86 A87 T94 A134 L136	A84-T90 WeakPolarHBondContact O-CG2 3.47Å; T86-T90 PolarHBondContact O-N 3.3Å; T86-T90 PolarHBondContact O-OG1 3.38Å; A87-T90 WeakPolarHBondContact CA-OG1 3.37Å; A87-T90 PolarHBondContact O-N 3.49Å; A87-T90 PolarHBondContact O-OG1 3.4Å; T90-T94 WeakPolarHBondContact O-CB 3.3Å; T90-T94 VanDerWaalsContact O-CG2 3.23Å; T90-T94 WeakPolarHBondContact O-CG2 3.24Å; T90-T94 PolarHBondContact O-N 3.29Å; T90-T94 VanDerWaalsContact O-N 3.07Å; T90-T94 PolarHBondContact O-OG1 2.78Å; T90-A134 HydrophobicContact CG2-CB 3.79Å; T90-L136 HydrophobicContact CG2-CD2 4.06Å
91	Q	95.1	Very high	96	Very high	116 Å²	116	36.7 Å²	36.7	54%	0.542	21%	0.213	S	C	.	.	H	α-helix	trans	-65.7	-49	179.7	-175.2	175.8	6.1	0	0	112	A87 A88 D89 T94 L95	A87-Q91 WeakPolarHBondContact O-CB 3.46Å; A87-Q91 PolarHBondContact O-N 2.96Å; A88-Q91 PolarHBondContact O-N 3.22Å; D89-Q91 VanDerWaalsContact C-N 3.34Å; D89-Q91 PolarHBondContact O-N 3.31Å; Q91-T94 PolarHBondContact O-OG1 3.32Å; Q91-L95 VanDerWaalsContact O-CB 3.29Å; Q91-L95 WeakPolarHBondContact O-CB 3.43Å; Q91-L95 PolarHBondContact O-N 2.85Å
92	M	95.9	Very high	95.9	Very high	121 Å²	121	41.4 Å²	41.4	60%	0.596	24%	0.235	S	C	*	.	H	α-helix	trans	-69.9	-38.7	-176.1	-69.9	-56.4	-65.3	0	0	112.3	A88 D89 M96	A88-M92 WeakPolarHBondContact O-CB 3.34Å; A88-M92 WeakPolarHBondContact O-CG 3.41Å; A88-M92 PolarHBondContact O-N 3.09Å; D89-M92 PolarHBondContact O-N 2.89Å; M92-M96 WeakPolarHBondContact O-CB 3.2Å; M92-M96 PolarHBondContact O-N 2.88Å
93	V	96.2	Very high	95.9	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-65.6	-46.7	176.8	171.7	0	0	0	0	110.8	D89 L95 M96 I97 L121 Y124 V132	D89-V93 VanDerWaalsContact O-CB 3.26Å; D89-V93 WeakPolarHBondContact O-CB 3.33Å; D89-V93 WeakPolarHBondContact O-CG2 3.32Å; D89-V93 PolarHBondContact O-N 3.42Å; V93-L95 PolarHBondContact O-N 2.69Å; V93-M96 PolarHBondContact O-N 3.2Å; V93-I97 WeakPolarHBondContact O-CG1 3.46Å; V93-I97 PolarHBondContact O-N 2.91Å; V93-L121 HydrophobicContact CG1-CD2 3.4Å; V93-Y124 HydrophobicContact CG1-CD1 4.31Å; V93-Y124 HydrophobicContact CG2-CD1 3.99Å; V93-Y124 HydrophobicContact CG2-CE1 3.51Å; V93-V132 HydrophobicContact CG2-CG1 3.8Å
94	T	96.5	Very high	96	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-64.8	-39.9	179.4	52.3	0	0	0	0	112.1	H73 I75 C81 T90 Q91 I97 S98 L136	H73-T94 HydrophobicContact CB-CG2 4.23Å; I75-T94 HydrophobicContact CD1-CG2 4.27Å; I75-T94 WeakPolarHBondContact CD1-O 3.46Å; C81-T94 HydrophobicContact CB-CG2 4.11Å; T90-T94 WeakPolarHBondContact O-CB 3.3Å; T90-T94 VanDerWaalsContact O-CG2 3.23Å; T90-T94 WeakPolarHBondContact O-CG2 3.24Å; T90-T94 PolarHBondContact O-N 3.29Å; T90-T94 VanDerWaalsContact O-N 3.07Å; T90-T94 PolarHBondContact O-OG1 2.78Å; Q91-T94 PolarHBondContact O-OG1 3.32Å; T94-I97 PolarHBondContact O-N 3.34Å; T94-S98 WeakPolarHBondContact O-CB 3.1Å; T94-S98 PolarHBondContact O-N 2.84Å; T94-L136 HydrophobicContact CG2-CD2 4.29Å
95	L	97.4	Very high	96	Very high	109 Å²	109	52.5 Å²	52.5	57%	0.571	29%	0.291	S	S	*	.	H	α-helix	trans	-62.2	-47.1	176.2	-175.2	66.9	0	0	0	112.1	Q91 V93 I97 S98 S99	Q91-L95 VanDerWaalsContact O-CB 3.29Å; Q91-L95 WeakPolarHBondContact O-CB 3.43Å; Q91-L95 PolarHBondContact O-N 2.85Å; V93-L95 PolarHBondContact O-N 2.69Å; L95-I97 VanDerWaalsContact C-N 3.35Å; L95-I97 PolarHBondContact O-N 2.85Å; L95-S98 PolarHBondContact O-N 2.87Å; L95-S99 PolarHBondContact O-N 3.4Å
96	M	97.1	Very high	96.2	Very high	60 Å²	60	57.7 Å²	57.7	30%	0.296	31%	0.314	S	S	.	.	H	α-helix	trans	-60.4	-44.7	177.5	176.6	-170.5	66.3	0	0	111.4	M92 V93 S99 Q100 Y124	M92-M96 WeakPolarHBondContact O-CB 3.2Å; M92-M96 PolarHBondContact O-N 2.88Å; V93-M96 PolarHBondContact O-N 3.2Å; M96-S99 PolarHBondContact O-N 2.93Å; M96-Q100 PolarHBondContact O-N 2.83Å; M96-Q100 VanDerWaalsContact O-N 3.16Å; M96-Y124 HydrophobicContact CE-CD1 4.12Å; M96-Y124 HydrophobicContact CE-CD2 3.29Å; M96-Y124 HydrophobicContact CE-CE1 4.2Å; M96-Y124 HydrophobicContact CE-CE2 3.33Å; M96-Y124 HydrophobicContact CE-CG 3.68Å; M96-Y124 HydrophobicContact SD-CD2 4.15Å; M96-Y124 HydrophobicContact SD-CE2 3.77Å
97	I	97.2	Very high	96.4	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-69.4	-38.6	179.1	-64.9	-41.9	0	0	0	111.7	V93 T94 L95 S99 Q100 V101 P117 L120 L121	V93-I97 WeakPolarHBondContact O-CG1 3.46Å; V93-I97 PolarHBondContact O-N 2.91Å; T94-I97 PolarHBondContact O-N 3.34Å; L95-I97 VanDerWaalsContact C-N 3.35Å; L95-I97 PolarHBondContact O-N 2.85Å; I97-S99 VanDerWaalsContact C-N 3.32Å; I97-S99 PolarHBondContact O-N 2.85Å; I97-Q100 PolarHBondContact O-N 2.93Å; I97-V101 HydrophobicContact CG2-CG2 4.07Å; I97-V101 WeakPolarHBondContact O-CB 3.33Å; I97-V101 VanDerWaalsContact O-CG2 3.3Å; I97-V101 WeakPolarHBondContact O-CG2 3.39Å; I97-V101 PolarHBondContact O-N 2.95Å; I97-P117 HydrophobicContact CG2-CB 3.81Å; I97-L120 HydrophobicContact CD1-CB 3.67Å; I97-L120 HydrophobicContact CG1-CB 4.41Å; I97-L120 HydrophobicContact CG2-CB 4.33Å; I97-L120 HydrophobicContact CG2-CD1 4.35Å; I97-L121 HydrophobicContact CB-CD2 4.19Å; I97-L121 HydrophobicContact CB-CG 4.47Å; I97-L121 HydrophobicContact CG1-CD2 3.51Å; I97-L121 HydrophobicContact CG1-CG 3.93Å; I97-L121 HydrophobicContact CG2-CD2 4.47Å; I97-L121 HydrophobicContact CG2-CG 4.22Å
98	S	97.9	Very high	96.6	Very high	13 Å²	13	64.4 Å²	64.4	9%	0.091	35%	0.345	C	S	.	.	H	α-helix	trans	-56.8	-46.9	174.7	-177.6	0	0	0	0	111.2	I75 T94 L95 Q100 V101 E102	I75-S98 PolarHBondContact O-OG 3.33Å; T94-S98 WeakPolarHBondContact O-CB 3.1Å; T94-S98 PolarHBondContact O-N 2.84Å; L95-S98 PolarHBondContact O-N 2.87Å; S98-Q100 PolarHBondContact O-N 2.95Å; S98-V101 PolarHBondContact O-N 2.88Å; S98-E102 WeakPolarHBondContact O-CB 3.37Å; S98-E102 PolarHBondContact O-N 3.01Å
99	S	97.9	Very high	96.8	Very high	63 Å²	63	64.9 Å²	64.9	44%	0.441	36%	0.356	S	S	.	.	H	α-helix	trans	-59.5	-43.4	175.4	177.7	0	0	0	0	113	L95 M96 I97 E102 L103	L95-S99 PolarHBondContact O-N 3.4Å; M96-S99 PolarHBondContact O-N 2.93Å; I97-S99 VanDerWaalsContact C-N 3.32Å; I97-S99 PolarHBondContact O-N 2.85Å; S99-E102 PolarHBondContact O-N 3.26Å; S99-L103 WeakPolarHBondContact O-CG 3.2Å; S99-L103 PolarHBondContact O-N 3.37Å
100	Q	97.5	Very high	96.8	Very high	86 Å²	86	72.2 Å²	72.2	40%	0.402	38%	0.381	S	S	.	.	H	α-helix	trans	-66.8	-38.4	177.8	-71	-174.2	0.1	0	0	112.8	M96 I97 S98 H104 L120	M96-Q100 PolarHBondContact O-N 2.83Å; M96-Q100 VanDerWaalsContact O-N 3.16Å; I97-Q100 PolarHBondContact O-N 2.93Å; S98-Q100 PolarHBondContact O-N 2.95Å; Q100-H104 WeakPolarHBondContact O-CB 3.43Å; Q100-H104 PolarHBondContact O-N 2.91Å; Q100-L120 HydrophobicContact CB-CD1 4.09Å
101	V	97.7	Very high	96.9	Very high	1 Å²	1	77 Å²	77	1%	0.006	41%	0.409	C	S	.	.	H	α-helix	trans	-67.8	-41.1	176.8	170.9	0	0	0	0	110.7	I75 I97 S98 H104 S105 P112 P117 L120	I75-V101 HydrophobicContact CG2-CB 4.34Å; I75-V101 HydrophobicContact CG2-CG1 4.45Å; I75-V101 HydrophobicContact CG2-CG2 4.12Å; I97-V101 HydrophobicContact CG2-CG2 4.07Å; I97-V101 WeakPolarHBondContact O-CB 3.33Å; I97-V101 VanDerWaalsContact O-CG2 3.3Å; I97-V101 WeakPolarHBondContact O-CG2 3.39Å; I97-V101 PolarHBondContact O-N 2.95Å; S98-V101 PolarHBondContact O-N 2.88Å; V101-H104 WeakPolarHBondContact O-CB 3.44Å; V101-H104 PolarHBondContact O-N 3.37Å; V101-S105 PolarHBondContact O-N 3.37Å; V101-S105 PolarHBondContact O-OG 2.72Å; V101-P112 HydrophobicContact CG1-CB 3.6Å; V101-P112 HydrophobicContact CG1-CG 3.73Å; V101-P117 HydrophobicContact CG2-CB 3.92Å; V101-P117 HydrophobicContact CG2-CG 4.26Å; V101-L120 HydrophobicContact CG2-CD1 4.27Å
102	E	97.7	Very high	96.9	Very high	98 Å²	98	72 Å²	72	46%	0.458	39%	0.387	S	S	.	.	H	α-helix	trans	-61.2	-51	176.2	-176.8	168.4	-159.6	0	0	110.9	S98 S99 H104 S105 L106	S98-E102 WeakPolarHBondContact O-CB 3.37Å; S98-E102 PolarHBondContact O-N 3.01Å; S99-E102 PolarHBondContact O-N 3.26Å; E102-H104 VanDerWaalsContact C-N 3.26Å; E102-H104 PolarHBondContact O-N 2.88Å; E102-S105 WeakPolarHBondContact CA-OG 3.41Å; E102-S105 PolarHBondContact O-N 3.26Å; E102-S105 VanDerWaalsContact O-N 3.08Å; E102-S105 PolarHBondContact O-OG 3.25Å; E102-L106 HydrophobicContact CG-CD1 4.26Å; E102-L106 WeakPolarHBondContact O-CG 3.34Å; E102-L106 PolarHBondContact O-N 3.2Å
103	L	97.7	Very high	97	Very high	113 Å²	113	73 Å²	73	59%	0.592	38%	0.384	S	S	*	.	H	α-helix	trans	-55.2	-42	173.8	-74	172	0	0	0	112.4	S99 N107	S99-L103 WeakPolarHBondContact O-CG 3.2Å; S99-L103 PolarHBondContact O-N 3.37Å; L103-N107 WeakPolarHBondContact O-CB 3.48Å; L103-N107 PolarHBondContact O-N 2.95Å; L103-N107 VanDerWaalsContact O-N 3.09Å
104	H	97.1	Very high	97.1	Very high	98 Å²	98	72.9 Å²	72.9	45%	0.454	38%	0.384	S	S	.	.	H	α-helix	trans	-64.9	-41.7	176.9	-177.3	66	0	0	0	112.5	Q100 V101 E102 N107 T108	Q100-H104 WeakPolarHBondContact O-CB 3.43Å; Q100-H104 PolarHBondContact O-N 2.91Å; V101-H104 WeakPolarHBondContact O-CB 3.44Å; V101-H104 PolarHBondContact O-N 3.37Å; E102-H104 VanDerWaalsContact C-N 3.26Å; E102-H104 PolarHBondContact O-N 2.88Å; H104-N107 PolarHBondContact O-N 3.2Å; H104-T108 WeakPolarHBondContact O-CB 3.43Å; H104-T108 WeakPolarHBondContact O-CG2 3.1Å; H104-T108 PolarHBondContact O-N 3.42Å; H104-T108 PolarHBondContact O-OG1 3.43Å
105	S	96.6	Very high	97.1	Very high	29 Å²	29	77 Å²	77	20%	0.203	41%	0.405	C	S	.	.	H	α-helix	trans	-65.9	-41.4	177.7	67.4	0	0	0	0	112.4	V101 E102 N107 T108 G109	V101-S105 PolarHBondContact O-N 3.37Å; V101-S105 PolarHBondContact O-OG 2.72Å; E102-S105 WeakPolarHBondContact CA-OG 3.41Å; E102-S105 PolarHBondContact O-N 3.26Å; E102-S105 VanDerWaalsContact O-N 3.08Å; E102-S105 PolarHBondContact O-OG 3.25Å; S105-N107 VanDerWaalsContact C-N 3.35Å; S105-N107 PolarHBondContact O-N 3.4Å; S105-T108 PolarHBondContact O-N 2.89Å; S105-T108 PolarHBondContact O-OG1 3.43Å; S105-G109 WeakPolarHBondContact O-CA 3.24Å; S105-G109 PolarHBondContact O-N 2.86Å
106	L	97.6	Very high	97.1	Very high	129 Å²	129	73.2 Å²	73.2	68%	0.675	39%	0.389	S	S	*	.	H	α-helix	trans	-63.9	-40.9	176.9	-71.3	172.7	0	0	0	111.6	E102	E102-L106 HydrophobicContact CG-CD1 4.26Å; E102-L106 WeakPolarHBondContact O-CG 3.34Å; E102-L106 PolarHBondContact O-N 3.2Å
107	N	97.4	Very high	97.1	Very high	141 Å²	141	70.3 Å²	70.3	75%	0.754	38%	0.375	S	S	*	.	H	α-helix	trans	-71.1	-33	178.3	-172.6	60.6	0	0	0	113.1	L103 H104 S105	L103-N107 WeakPolarHBondContact O-CB 3.48Å; L103-N107 PolarHBondContact O-N 2.95Å; L103-N107 VanDerWaalsContact O-N 3.09Å; H104-N107 PolarHBondContact O-N 3.2Å; S105-N107 VanDerWaalsContact C-N 3.35Å; S105-N107 PolarHBondContact O-N 3.4Å
108	T	96.8	Very high	97.2	Very high	58 Å²	58	70.9 Å²	70.9	36%	0.356	38%	0.378	S	S	.	.	H	α-helix	trans	-90.6	-18.1	-179.1	56.2	0	0	0	0	113.6	H104 S105 R110	H104-T108 WeakPolarHBondContact O-CB 3.43Å; H104-T108 WeakPolarHBondContact O-CG2 3.1Å; H104-T108 PolarHBondContact O-N 3.42Å; H104-T108 PolarHBondContact O-OG1 3.43Å; S105-T108 PolarHBondContact O-N 2.89Å; S105-T108 PolarHBondContact O-OG1 3.43Å; T108-R110 PolarHBondContact O-N 3.25Å
109	G	95.8	Very high	97.1	Very high	70 Å²	70	78.1 Å²	78.1	72%	0.722	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	22.5	-172.6	0	0	0	0	0	113.5	S105	S105-G109 WeakPolarHBondContact O-CA 3.24Å; S105-G109 PolarHBondContact O-N 2.86Å
110	R	95.4	Very high	97.1	Very high	197 Å²	197	77.8 Å²	77.8	74%	0.743	40%	0.396	S	S	*	.	S	Bend	trans	-128.5	150.2	-175.5	-67.7	-179.6	-176.4	-175.8	0.6	111.3	T108	T108-R110 PolarHBondContact O-N 3.25Å
111	T	95.4	Very high	97.1	Very high	106 Å²	106	73.7 Å²	73.7	65%	0.65	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-59.4	129.5	171.9	-46	0	0	0	0	110	N78	N78-T111 HydrophobicContact CB-CG2 4.34Å; N78-T111 WeakPolarHBondContact ND2-CG2 3.27Å
112	P	96.7	Very high	97	Very high	12 Å²	12	76.4 Å²	76.4	8%	0.078	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-67.3	141.2	-178.3	27.1	-33.8	0	0	0	111.4	N78 I79 V101	N78-P112 PolarHBondContact ND2-O 2.83Å; I79-P112 HydrophobicContact CD1-CB 4.4Å; I79-P112 HydrophobicContact CD1-CG 4.31Å; V101-P112 HydrophobicContact CG1-CB 3.6Å; V101-P112 HydrophobicContact CG1-CG 3.73Å
113	R	97.3	Very high	96.9	Very high	142 Å²	142	80.6 Å²	80.6	54%	0.536	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-81.8	147	172.4	-65.4	-164.2	-69.4	176.3	-3.7	110.8	I115 A116 P117 D142	R113-I115 HydrophobicContact CB-CG2 4.07Å; R113-I115 PolarHBondContact O-N 3.02Å; R113-I115 VanDerWaalsContact O-N 3.11Å; R113-A116 WeakPolarHBondContact O-CB 3.18Å; R113-A116 PolarHBondContact O-N 2.93Å; R113-P117 WeakPolarHBondContact O-CD 3.5Å; R113-D142 HydrophobicContact CB-CB 4.43Å; R113-D142 HydrophobicContact CG-CB 4.41Å
114	V	97.7	Very high	96.8	Very high	0 Å²	0	78 Å²	78	0%	0	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.6	-177.3	-170.8	0	0	0	0	112.1	I79 A116 P117 L118 L138 D142 H147 Y149	I79-V114 HydrophobicContact CD1-CG2 4.35Å; I79-V114 HydrophobicContact CG1-CG2 4.21Å; V114-A116 PolarHBondContact O-N 3.46Å; V114-P117 VanDerWaalsContact O-CD 3.29Å; V114-P117 WeakPolarHBondContact O-CD 3.3Å; V114-P117 WeakPolarHBondContact O-CG 3.5Å; V114-L118 PolarHBondContact O-N 2.86Å; V114-L138 HydrophobicContact CG1-CD2 4.05Å; V114-L138 HydrophobicContact CG1-CG 4.2Å; V114-D142 HydrophobicContact CG2-CB 4.23Å; V114-D142 PolarHBondContact N-OD2 3.03Å; V114-H147 HydrophobicContact CB-CB 4.11Å; V114-H147 HydrophobicContact CG1-CB 4.17Å; V114-H147 HydrophobicContact CG2-CB 4.14Å; V114-Y149 HydrophobicContact CB-CE2 4.35Å; V114-Y149 HydrophobicContact CG1-CD2 3.91Å; V114-Y149 HydrophobicContact CG1-CE2 3.8Å
115	I	97.5	Very high	96.7	Very high	91 Å²	91	73.3 Å²	73.3	47%	0.467	36%	0.361	S	S	.	.	H	α-helix	trans	-65.9	-24.6	178.5	-159.6	157.8	0	0	0	113.7	R113 R119	R113-I115 HydrophobicContact CB-CG2 4.07Å; R113-I115 PolarHBondContact O-N 3.02Å; R113-I115 VanDerWaalsContact O-N 3.11Å; I115-R119 VanDerWaalsContact O-CB 3.31Å; I115-R119 WeakPolarHBondContact O-CB 3.39Å; I115-R119 PolarHBondContact O-N 3.27Å
116	A	97	Very high	96.6	Very high	29 Å²	29	78 Å²	78	24%	0.24	38%	0.375	C	S	.	.	H	α-helix	trans	-67.1	-58.3	179.5	0	0	0	0	0	111.9	R113 V114 L118 R119 L120	R113-A116 WeakPolarHBondContact O-CB 3.18Å; R113-A116 PolarHBondContact O-N 2.93Å; V114-A116 PolarHBondContact O-N 3.46Å; A116-L118 VanDerWaalsContact C-N 3.3Å; A116-L118 PolarHBondContact O-N 3.32Å; A116-R119 PolarHBondContact O-N 2.87Å; A116-L120 WeakPolarHBondContact O-CG 3.39Å; A116-L120 PolarHBondContact O-N 2.7Å; A116-L120 VanDerWaalsContact O-N 3.15Å
117	P	97.8	Very high	96.3	Very high	0 Å²	0	75.4 Å²	75.4	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-59.9	-37.9	173.7	16.7	-24.9	0	0	0	112.6	I75 I79 I97 V101 R113 V114 R119 L120 L121 L138	I75-P117 HydrophobicContact CG2-CB 3.99Å; I75-P117 HydrophobicContact CG2-CG 4.26Å; I79-P117 HydrophobicContact CD1-CG 3.83Å; I79-P117 HydrophobicContact CG2-CG 4.21Å; I97-P117 HydrophobicContact CG2-CB 3.81Å; V101-P117 HydrophobicContact CG2-CB 3.92Å; V101-P117 HydrophobicContact CG2-CG 4.26Å; R113-P117 WeakPolarHBondContact O-CD 3.5Å; V114-P117 VanDerWaalsContact O-CD 3.29Å; V114-P117 WeakPolarHBondContact O-CD 3.3Å; V114-P117 WeakPolarHBondContact O-CG 3.5Å; P117-R119 VanDerWaalsContact C-N 3.33Å; P117-R119 PolarHBondContact O-N 2.98Å; P117-L120 PolarHBondContact O-N 3.47Å; P117-L121 WeakPolarHBondContact O-CB 3.32Å; P117-L121 VanDerWaalsContact O-CG 3.29Å; P117-L121 WeakPolarHBondContact O-CG 3.48Å; P117-L121 PolarHBondContact O-N 3.24Å; P117-L138 HydrophobicContact CB-CD2 4.33Å; P117-L138 HydrophobicContact CG-CD2 4.29Å
118	L	98	Very high	96	Very high	12 Å²	12	73.1 Å²	73.1	6%	0.063	34%	0.341	C	S	.	.	H	α-helix	trans	-55.5	-47.4	175.9	178.7	65.7	0	0	0	112.1	V114 A116 L120 K122 L138 Y149 I151 T157	V114-L118 PolarHBondContact O-N 2.86Å; A116-L118 VanDerWaalsContact C-N 3.3Å; A116-L118 PolarHBondContact O-N 3.32Å; L118-L120 VanDerWaalsContact C-N 3.34Å; L118-L120 PolarHBondContact O-N 3.08Å; L118-K122 WeakPolarHBondContact O-CB 3.42Å; L118-K122 WeakPolarHBondContact O-CG 3.44Å; L118-K122 PolarHBondContact O-N 2.82Å; L118-L138 HydrophobicContact CB-CD2 3.82Å; L118-L138 HydrophobicContact CD1-CD2 4.41Å; L118-Y149 HydrophobicContact CD1-CD1 4.39Å; L118-Y149 HydrophobicContact CD1-CG 4.03Å; L118-Y149 HydrophobicContact CD2-CD1 3.57Å; L118-Y149 HydrophobicContact CD2-CD2 3.95Å; L118-Y149 HydrophobicContact CD2-CE1 3.62Å; L118-Y149 HydrophobicContact CD2-CE2 4Å; L118-Y149 HydrophobicContact CD2-CG 3.75Å; L118-Y149 HydrophobicContact CG-CG 4.45Å; L118-I151 HydrophobicContact CD1-CD1 3.68Å; L118-I151 HydrophobicContact CD1-CG1 3.74Å; L118-T157 HydrophobicContact CD1-CG2 3.77Å
119	R	97.4	Very high	95.6	Very high	165 Å²	165	74.7 Å²	74.7	62%	0.623	34%	0.344	S	S	*	.	H	α-helix	trans	-63.6	-40.4	179.6	-174.9	80.7	176	150.1	3.7	111.4	I115 A116 P117 R123	I115-R119 VanDerWaalsContact O-CB 3.31Å; I115-R119 WeakPolarHBondContact O-CB 3.39Å; I115-R119 PolarHBondContact O-N 3.27Å; A116-R119 PolarHBondContact O-N 2.87Å; P117-R119 VanDerWaalsContact C-N 3.33Å; P117-R119 PolarHBondContact O-N 2.98Å; R119-R123 VanDerWaalsContact O-CB 3.3Å; R119-R123 WeakPolarHBondContact O-CB 3.43Å; R119-R123 PolarHBondContact O-N 2.76Å
120	L	97.2	Very high	95.2	Very high	56 Å²	56	72.8 Å²	72.8	29%	0.293	33%	0.325	S	S	.	.	H	α-helix	trans	-68.7	-48.1	179	-64.5	173.1	0	0	0	111.3	I97 Q100 V101 A116 P117 L118 R123 Y124	I97-L120 HydrophobicContact CD1-CB 3.67Å; I97-L120 HydrophobicContact CG1-CB 4.41Å; I97-L120 HydrophobicContact CG2-CB 4.33Å; I97-L120 HydrophobicContact CG2-CD1 4.35Å; Q100-L120 HydrophobicContact CB-CD1 4.09Å; V101-L120 HydrophobicContact CG2-CD1 4.27Å; A116-L120 WeakPolarHBondContact O-CG 3.39Å; A116-L120 PolarHBondContact O-N 2.7Å; A116-L120 VanDerWaalsContact O-N 3.15Å; P117-L120 PolarHBondContact O-N 3.47Å; L118-L120 VanDerWaalsContact C-N 3.34Å; L118-L120 PolarHBondContact O-N 3.08Å; L120-R123 PolarHBondContact O-N 2.77Å; L120-Y124 WeakPolarHBondContact O-CB 3.49Å; L120-Y124 PolarHBondContact O-N 2.8Å
121	L	97.2	Very high	94.9	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-57.8	-53.4	178.6	-74.7	168.9	0	0	0	111.4	V93 I97 P117 R123 Y124 L125 L136 L138 I151	V93-L121 HydrophobicContact CG1-CD2 3.4Å; I97-L121 HydrophobicContact CB-CD2 4.19Å; I97-L121 HydrophobicContact CB-CG 4.47Å; I97-L121 HydrophobicContact CG1-CD2 3.51Å; I97-L121 HydrophobicContact CG1-CG 3.93Å; I97-L121 HydrophobicContact CG2-CD2 4.47Å; I97-L121 HydrophobicContact CG2-CG 4.22Å; P117-L121 WeakPolarHBondContact O-CB 3.32Å; P117-L121 VanDerWaalsContact O-CG 3.29Å; P117-L121 WeakPolarHBondContact O-CG 3.48Å; P117-L121 PolarHBondContact O-N 3.24Å; L121-R123 VanDerWaalsContact C-N 3.31Å; L121-R123 PolarHBondContact O-N 3.09Å; L121-Y124 PolarHBondContact O-N 2.75Å; L121-L125 WeakPolarHBondContact O-CG 3.47Å; L121-L125 PolarHBondContact O-N 2.87Å; L121-L136 HydrophobicContact CD1-CD1 4.07Å; L121-L136 HydrophobicContact CD2-CD1 3.63Å; L121-L136 HydrophobicContact CG-CD1 4.34Å; L121-L138 HydrophobicContact CD1-CD1 4.37Å; L121-L138 HydrophobicContact CD1-CD2 4.35Å; L121-I151 HydrophobicContact CB-CD1 3.73Å; L121-I151 HydrophobicContact CD1-CD1 3.53Å; L121-I151 HydrophobicContact CG-CD1 4.25Å
122	K	95.9	Very high	94.7	Very high	59 Å²	59	66.8 Å²	66.8	26%	0.257	29%	0.293	S	S	.	.	H	α-helix	trans	-63.7	-37.2	-177.1	79.8	-179.6	-170.4	171.1	0	112.8	L118 Y126 T157	L118-K122 WeakPolarHBondContact O-CB 3.42Å; L118-K122 WeakPolarHBondContact O-CG 3.44Å; L118-K122 PolarHBondContact O-N 2.82Å; K122-Y126 WeakPolarHBondContact O-CB 3.5Å; K122-Y126 PolarHBondContact O-N 3.4Å; K122-T157 HydrophobicContact CB-CG2 3.65Å; K122-T157 HydrophobicContact CD-CG2 3.83Å; K122-T157 HydrophobicContact CG-CG2 4.42Å
123	R	95.5	Very high	94.4	Very high	185 Å²	185	67 Å²	67	70%	0.698	30%	0.298	S	S	*	.	H	α-helix	trans	-66.3	-43.9	177.7	-179.6	-178.7	171.4	-176	-1.1	110.7	R119 L120 L121 Q127	R119-R123 VanDerWaalsContact O-CB 3.3Å; R119-R123 WeakPolarHBondContact O-CB 3.43Å; R119-R123 PolarHBondContact O-N 2.76Å; L120-R123 PolarHBondContact O-N 2.77Å; L121-R123 VanDerWaalsContact C-N 3.31Å; L121-R123 PolarHBondContact O-N 3.09Å; R123-Q127 WeakPolarHBondContact O-CB 3.38Å; R123-Q127 PolarHBondContact O-N 3.31Å
124	Y	94.9	Very high	94.3	Very high	58 Å²	58	60.3 Å²	60.3	23%	0.227	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-52.4	178.2	-178.6	-90.3	0	0	0	111	V93 M96 L120 L121 Y126 Q127 Y128 V132	V93-Y124 HydrophobicContact CG1-CD1 4.31Å; V93-Y124 HydrophobicContact CG2-CD1 3.99Å; V93-Y124 HydrophobicContact CG2-CE1 3.51Å; M96-Y124 HydrophobicContact CE-CD1 4.12Å; M96-Y124 HydrophobicContact CE-CD2 3.29Å; M96-Y124 HydrophobicContact CE-CE1 4.2Å; M96-Y124 HydrophobicContact CE-CE2 3.33Å; M96-Y124 HydrophobicContact CE-CG 3.68Å; M96-Y124 HydrophobicContact SD-CD2 4.15Å; M96-Y124 HydrophobicContact SD-CE2 3.77Å; L120-Y124 WeakPolarHBondContact O-CB 3.49Å; L120-Y124 PolarHBondContact O-N 2.8Å; L121-Y124 PolarHBondContact O-N 2.75Å; Y124-Y126 VanDerWaalsContact C-N 3.34Å; Y124-Y126 PolarHBondContact O-N 3.4Å; Y124-Q127 VanDerWaalsContact O-CB 3.29Å; Y124-Q127 WeakPolarHBondContact O-CB 3.44Å; Y124-Q127 PolarHBondContact O-N 2.92Å; Y124-Q127 VanDerWaalsContact O-N 3.07Å; Y124-Y128 HydrophobicContact CD1-CD2 4.23Å; Y124-Y128 HydrophobicContact CD1-CE2 4.34Å; Y124-Y128 HydrophobicContact CD2-CE2 4.02Å; Y124-Y128 AromaticContact CE1-CD2 3.88Å; Y124-Y128 HydrophobicContact CE1-CD2 3.88Å; Y124-Y128 AromaticContact CE1-CE2 3.81Å; Y124-Y128 HydrophobicContact CE1-CE2 3.81Å; Y124-Y128 HydrophobicContact CE2-CD2 4.31Å; Y124-Y128 AromaticContact CE2-CE2 3.5Å; Y124-Y128 HydrophobicContact CE2-CE2 3.5Å; Y124-Y128 VanDerWaalsContact CE2-CE2 3.5Å; Y124-Y128 HydrophobicContact CG-CE2 4.43Å; Y124-Y128 AromaticContact CZ-CD2 3.95Å; Y124-Y128 AromaticContact CZ-CE2 3.37Å; Y124-Y128 WeakPolarHBondContact O-CD2 3.34Å; Y124-Y128 PolarHBondContact O-N 3.22Å; Y124-V132 HydrophobicContact CE1-CG1 4.4Å; Y124-V132 HydrophobicContact CE1-CG2 4.22Å
125	L	95.2	Very high	94.3	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-41.2	-178.9	-68.2	177.1	0	0	0	112.4	L121 Q127 Y128 Q129 V132 A134 L136 I151	L121-L125 WeakPolarHBondContact O-CG 3.47Å; L121-L125 PolarHBondContact O-N 2.87Å; L125-Q127 VanDerWaalsContact C-N 3.31Å; L125-Q127 PolarHBondContact O-N 3.19Å; L125-Y128 CarbonylContact O-C 3.58Å; L125-Y128 PolarHBondContact O-N 3.43Å; L125-Q129 PolarHBondContact O-N 3Å; L125-V132 HydrophobicContact CD2-CB 3.94Å; L125-V132 HydrophobicContact CD2-CG1 3.62Å; L125-A134 HydrophobicContact CD2-CB 4.17Å; L125-L136 HydrophobicContact CD1-CD1 4.36Å; L125-I151 HydrophobicContact CD1-CG2 3.65Å
126	Y	94.4	Very high	94.3	Very high	128 Å²	128	56.5 Å²	56.5	50%	0.502	26%	0.255	S	S	.	.	H	α-helix	trans	-64.5	-34.3	175	-173.2	-102.4	0	0	0	112.5	F13 K122 Y124 Y128 Q129	F13-Y126 HydrophobicContact CE1-CD1 4.43Å; F13-Y126 HydrophobicContact CE1-CE1 4.39Å; F13-Y126 HydrophobicContact CZ-CE1 4.14Å; K122-Y126 WeakPolarHBondContact O-CB 3.5Å; K122-Y126 PolarHBondContact O-N 3.4Å; Y124-Y126 VanDerWaalsContact C-N 3.34Å; Y124-Y126 PolarHBondContact O-N 3.4Å; Y126-Y128 PolarHBondContact O-N 3.12Å; Y126-Q129 PolarHBondContact O-N 3.43Å; Y126-Q129 PolarHBondContact O-NE2 2.93Å
127	Q	92	Very high	94.4	Very high	75 Å²	75	55.1 Å²	55.1	35%	0.35	24%	0.243	S	C	.	.	H	α-helix	trans	-59.5	-34	176	-170.8	176.7	9.2	0	0	112.1	G12 F13 R123 Y124 L125	G12-Q127 PolarHBondContact O-NE2 3.46Å; F13-Q127 HydrophobicContact CD1-CG 4.24Å; R123-Q127 WeakPolarHBondContact O-CB 3.38Å; R123-Q127 PolarHBondContact O-N 3.31Å; Y124-Q127 VanDerWaalsContact O-CB 3.29Å; Y124-Q127 WeakPolarHBondContact O-CB 3.44Å; Y124-Q127 PolarHBondContact O-N 2.92Å; Y124-Q127 VanDerWaalsContact O-N 3.07Å; L125-Q127 VanDerWaalsContact C-N 3.31Å; L125-Q127 PolarHBondContact O-N 3.19Å
128	Y	90.4	Very high	94.4	Very high	93 Å²	93	55.1 Å²	55.1	37%	0.365	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	7.5	176.6	-68.1	-81.7	0	0	0	113.7	Y124 L125 Y126 G130 Y131 V132	Y124-Y128 HydrophobicContact CD1-CD2 4.23Å; Y124-Y128 HydrophobicContact CD1-CE2 4.34Å; Y124-Y128 HydrophobicContact CD2-CE2 4.02Å; Y124-Y128 AromaticContact CE1-CD2 3.88Å; Y124-Y128 HydrophobicContact CE1-CD2 3.88Å; Y124-Y128 AromaticContact CE1-CE2 3.81Å; Y124-Y128 HydrophobicContact CE1-CE2 3.81Å; Y124-Y128 HydrophobicContact CE2-CD2 4.31Å; Y124-Y128 AromaticContact CE2-CE2 3.5Å; Y124-Y128 HydrophobicContact CE2-CE2 3.5Å; Y124-Y128 VanDerWaalsContact CE2-CE2 3.5Å; Y124-Y128 HydrophobicContact CG-CE2 4.43Å; Y124-Y128 AromaticContact CZ-CD2 3.95Å; Y124-Y128 AromaticContact CZ-CE2 3.37Å; Y124-Y128 WeakPolarHBondContact O-CD2 3.34Å; Y124-Y128 PolarHBondContact O-N 3.22Å; L125-Y128 CarbonylContact O-C 3.58Å; L125-Y128 PolarHBondContact O-N 3.43Å; Y126-Y128 PolarHBondContact O-N 3.12Å; Y128-G130 PolarHBondContact O-N 3.43Å; Y128-Y131 WeakPolarHBondContact O-CB 3.32Å; Y128-Y131 WeakPolarHBondContact O-CD2 3.19Å; Y128-Y131 PolarHBondContact O-N 2.92Å; Y128-V132 HydrophobicContact CD1-CG2 4.28Å; Y128-V132 HydrophobicContact CD2-CG2 3.88Å; Y128-V132 HydrophobicContact CG-CG2 3.68Å
129	Q	88	Confident	94.4	Very high	90 Å²	90	54.5 Å²	54.5	42%	0.421	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	34.3	172.4	-61.4	-69.3	-55.9	0	0	114.1	F15 L125 Y126	F15-Q129 HydrophobicContact CE1-CG 4.41Å; L125-Q129 PolarHBondContact O-N 3Å; Y126-Q129 PolarHBondContact O-N 3.43Å; Y126-Q129 PolarHBondContact O-NE2 2.93Å
130	G	88.3	Confident	94.5	Very high	30 Å²	30	46.7 Å²	46.7	31%	0.309	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	1	-179.6	0	0	0	0	0	116.7	Y128 V132	Y128-G130 PolarHBondContact O-N 3.43Å; G130-V132 PolarHBondContact O-N 3.46Å
131	Y	88.3	Confident	94.5	Very high	163 Å²	163	44.5 Å²	44.5	64%	0.639	20%	0.2	S	C	*	.			trans	-64.9	-26.4	171.8	-76	-70.9	0	0	0	112.9	Y128	Y128-Y131 WeakPolarHBondContact O-CB 3.32Å; Y128-Y131 WeakPolarHBondContact O-CD2 3.19Å; Y128-Y131 PolarHBondContact O-N 2.92Å
132	V	91.2	Very high	94.5	Very high	14 Å²	14	45.3 Å²	45.3	9%	0.085	20%	0.204	C	C	.	.	S	Bend	trans	-87	108.3	171.1	179.3	0	0	0	0	108.1	D89 V93 Y124 L125 Y128 G130 A134	D89-V132 HydrophobicContact CB-CG1 3.85Å; V93-V132 HydrophobicContact CG2-CG1 3.8Å; Y124-V132 HydrophobicContact CE1-CG1 4.4Å; Y124-V132 HydrophobicContact CE1-CG2 4.22Å; L125-V132 HydrophobicContact CD2-CB 3.94Å; L125-V132 HydrophobicContact CD2-CG1 3.62Å; Y128-V132 HydrophobicContact CD1-CG2 4.28Å; Y128-V132 HydrophobicContact CD2-CG2 3.88Å; Y128-V132 HydrophobicContact CG-CG2 3.68Å; G130-V132 PolarHBondContact O-N 3.46Å; V132-A134 HydrophobicContact CG1-CB 4.27Å; V132-A134 PolarHBondContact O-N 3.4Å
133	G	91.9	Very high	94.4	Very high	18 Å²	18	48 Å²	48	19%	0.186	23%	0.23	C	C	.	.			trans	-81.8	40.7	-169.5	0	0	0	0	0	114.7	T86 D89	T86-G133 PolarHBondContact N-O 2.91Å; D89-G133 PolarHBondContact OD2-N 3.41Å
134	A	95	Very high	94.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	109.2	-176	0	0	0	0	0	111.6	D89 T90 L125 V132 L136 P153	D89-A134 HydrophobicContact CB-CB 4.31Å; T90-A134 HydrophobicContact CG2-CB 3.79Å; L125-A134 HydrophobicContact CD2-CB 4.17Å; V132-A134 HydrophobicContact CG1-CB 4.27Å; V132-A134 PolarHBondContact O-N 3.4Å; A134-L136 HydrophobicContact CB-CD2 4.22Å; A134-L136 HydrophobicContact CB-CG 4.32Å; A134-P153 WeakPolarHBondContact O-CA 3.31Å
135	A	96.5	Very high	94.5	Very high	11 Å²	11	41.9 Å²	41.9	9%	0.091	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.9	167	0	0	0	0	0	108.5	A84 P153 M165	A84-A135 HydrophobicContact CB-CB 4.28Å; A84-A135 PolarHBondContact N-O 2.99Å; A84-A135 PolarHBondContact O-N 3.47Å; A135-P153 HydrophobicContact CB-CG 4.25Å; A135-M165 HydrophobicContact CB-CE 3.68Å
136	L	98.1	Very high	94.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.8	-169.3	-54.4	173.8	0	0	0	111.7	C82 T90 T94 L121 L125 A134 I151	C82-L136 VanDerWaalsContact O-CA 3.31Å; C82-L136 WeakPolarHBondContact O-CA 3.29Å; T90-L136 HydrophobicContact CG2-CD2 4.06Å; T94-L136 HydrophobicContact CG2-CD2 4.29Å; L121-L136 HydrophobicContact CD1-CD1 4.07Å; L121-L136 HydrophobicContact CD2-CD1 3.63Å; L121-L136 HydrophobicContact CG-CD1 4.34Å; L125-L136 HydrophobicContact CD1-CD1 4.36Å; A134-L136 HydrophobicContact CB-CD2 4.22Å; A134-L136 HydrophobicContact CB-CG 4.32Å; L136-I151 HydrophobicContact CB-CB 4.18Å; L136-I151 HydrophobicContact CB-CD1 4.43Å; L136-I151 PolarHBondContact N-O 3.01Å; L136-I151 PolarHBondContact O-N 2.98Å
137	V	98.4	Very high	94.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	109.4	166.6	179	0	0	0	0	107.5	I41 L52 C81 C82 L148 Y149 I163 M165	I41-V137 HydrophobicContact CD1-CB 4.3Å; I41-V137 HydrophobicContact CD1-CG2 3.77Å; I41-V137 HydrophobicContact CG1-CG2 4.19Å; L52-V137 HydrophobicContact CD2-CG1 4.04Å; C81-V137 CarbonylContact C-O 3.56Å; C81-V137 WeakPolarHBondContact CA-O 3.46Å; C82-V137 HydrophobicContact CB-CB 4.23Å; C82-V137 PolarHBondContact N-O 3.38Å; C82-V137 PolarHBondContact O-N 3.37Å; V137-L148 HydrophobicContact CG1-CD1 3.73Å; V137-Y149 WeakPolarHBondContact CA-O 3.48Å; V137-I163 HydrophobicContact CG1-CB 4.34Å; V137-I163 HydrophobicContact CG1-CG2 4.26Å; V137-I163 HydrophobicContact CG2-CG2 3.79Å; V137-M165 HydrophobicContact CG2-CB 4.03Å; V137-M165 HydrophobicContact CG2-CG 3.53Å
138	L	98.6	Very high	95.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117.1	-177.7	-177.9	72.5	0	0	0	109.3	I75 I79 C81 V114 P117 L118 L121 L148 Y149 I151	I75-L138 HydrophobicContact CG1-CD1 4.38Å; I79-L138 HydrophobicContact CG2-CD1 3.6Å; I79-L138 HydrophobicContact CG2-CG 4.3Å; C81-L138 HydrophobicContact CB-CD1 3.95Å; V114-L138 HydrophobicContact CG1-CD2 4.05Å; V114-L138 HydrophobicContact CG1-CG 4.2Å; P117-L138 HydrophobicContact CB-CD2 4.33Å; P117-L138 HydrophobicContact CG-CD2 4.29Å; L118-L138 HydrophobicContact CB-CD2 3.82Å; L118-L138 HydrophobicContact CD1-CD2 4.41Å; L121-L138 HydrophobicContact CD1-CD1 4.37Å; L121-L138 HydrophobicContact CD1-CD2 4.35Å; L138-L148 WeakPolarHBondContact O-CA 3.47Å; L138-Y149 PolarHBondContact N-O 2.86Å; L138-Y149 PolarHBondContact O-N 2.71Å; L138-I151 HydrophobicContact CB-CD1 4.31Å
139	G	98.4	Very high	95.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.2	177.7	0	0	0	0	0	111.3	I79 Y80 H147 I216	I79-G139 WeakPolarHBondContact CA-O 3.47Å; Y80-G139 PolarHBondContact N-O 3.36Å; Y80-G139 PolarHBondContact O-N 3.29Å; G139-H147 WeakPolarHBondContact CA-O 3.35Å; G139-I216 WeakPolarHBondContact O-CD1 3.43Å
140	G	98.3	Very high	95.9	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	167.9	173.6	0	0	0	0	0	112.8	N78 H147	N78-G140 CarbonylContact O-C 3.54Å; N78-G140 WeakPolarHBondContact O-CA 3.19Å; G140-H147 PolarHBondContact N-O 2.84Å; G140-H147 PolarHBondContact O-N 2.85Å
141	V	98.2	Very high	96.4	Very high	11 Å²	11	26.6 Å²	26.6	7%	0.067	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.5	174.2	-179.8	0	0	0	0	107.9	N78 P146 I216 K218	N78-V141 WeakPolarHBondContact CB-O 3.3Å; N78-V141 PolarHBondContact ND2-O 2.9Å; N78-V141 PolarHBondContact O-N 2.73Å; V141-P146 HydrophobicContact CG2-CB 4.19Å; V141-I216 HydrophobicContact CB-CG2 4.26Å; V141-I216 HydrophobicContact CG2-CB 4.43Å; V141-I216 HydrophobicContact CG2-CG2 3.92Å; V141-I216 WeakPolarHBondContact CG2-O 3.2Å; V141-K218 HydrophobicContact CG1-CB 4.32Å
142	D	96.1	Very high	96.8	Very high	17 Å²	17	19.7 Å²	19.7	9%	0.091	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	-172.3	174.5	68	29.2	0	0	0	111.6	R113 V114 T144 G145 H147	R113-D142 HydrophobicContact CB-CB 4.43Å; R113-D142 HydrophobicContact CG-CB 4.41Å; V114-D142 HydrophobicContact CG2-CB 4.23Å; V114-D142 PolarHBondContact N-OD2 3.03Å; D142-T144 PolarHBondContact O-N 2.79Å; D142-T144 VanDerWaalsContact O-N 3.09Å; D142-T144 WeakPolarHBondContact OD1-CA 3.36Å; D142-T144 PolarHBondContact OD1-N 3.29Å; D142-T144 PolarHBondContact OD1-OG1 2.9Å; D142-G145 PolarHBondContact N-O 2.81Å; D142-G145 PolarHBondContact O-N 2.86Å; D142-G145 PolarHBondContact OD1-N 2.86Å; D142-H147 IonicContact OD1-CD2 3.72Å; D142-H147 IonicContact OD1-NE2 3.53Å; D142-H147 IonicContact OD2-CD2 3.45Å; D142-H147 PolarHBondContact OD2-CD2 2.8Å; D142-H147 IonicContact OD2-NE2 3.85Å
143	S	94.6	Very high	97	Very high	114 Å²	114	21 Å²	21	80%	0.797	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.2	-178.6	57.6	0	0	0	0	114
144	T	95.5	Very high	97.1	Very high	96 Å²	96	25.3 Å²	25.3	59%	0.589	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	-2.1	176.2	57.5	0	0	0	0	113.5	D142 H147	D142-T144 PolarHBondContact O-N 2.79Å; D142-T144 VanDerWaalsContact O-N 3.09Å; D142-T144 WeakPolarHBondContact OD1-CA 3.36Å; D142-T144 PolarHBondContact OD1-N 3.29Å; D142-T144 PolarHBondContact OD1-OG1 2.9Å; T144-H147 PolarHBondContact OG1-NE2 2.94Å
145	G	96.2	Very high	97	Very high	20 Å²	20	25.8 Å²	25.8	21%	0.206	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	116.3	-165.4	175.5	0	0	0	0	0	113.6	D142	D142-G145 PolarHBondContact N-O 2.81Å; D142-G145 PolarHBondContact O-N 2.86Å; D142-G145 PolarHBondContact OD1-N 2.86Å
146	P	97.7	Very high	97	Very high	40 Å²	40	27.5 Å²	27.5	26%	0.26	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	137.8	179.1	30.3	-33.7	0	0	0	111.5	V45 V50 V141	V45-P146 HydrophobicContact CG1-CB 3.99Å; V45-P146 HydrophobicContact CG1-CG 3.84Å; V50-P146 HydrophobicContact CG2-CB 3.69Å; V141-P146 HydrophobicContact CG2-CB 4.19Å
147	H	98.2	Very high	97	Very high	22 Å²	22	29.5 Å²	29.5	10%	0.102	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.5	176.9	-62.4	-33	0	0	0	111.3	V114 G139 G140 D142 T144 Y149 K159	V114-H147 HydrophobicContact CB-CB 4.11Å; V114-H147 HydrophobicContact CG1-CB 4.17Å; V114-H147 HydrophobicContact CG2-CB 4.14Å; G139-H147 WeakPolarHBondContact CA-O 3.35Å; G140-H147 PolarHBondContact N-O 2.84Å; G140-H147 PolarHBondContact O-N 2.85Å; D142-H147 IonicContact OD1-CD2 3.72Å; D142-H147 IonicContact OD1-NE2 3.53Å; D142-H147 IonicContact OD2-CD2 3.45Å; D142-H147 PolarHBondContact OD2-CD2 2.8Å; D142-H147 IonicContact OD2-NE2 3.85Å; T144-H147 PolarHBondContact OG1-NE2 2.94Å; H147-Y149 HydrophobicContact CB-CD2 4.36Å; H147-Y149 HydrophobicContact CB-CE2 3.58Å; H147-K159 PolarHBondContact ND1-NZ 2.99Å
148	L	98.5	Very high	97	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	130.3	177.9	-176	69	0	0	0	109.1	G43 V45 V50 L52 V137 L138 L160 I163	G43-L148 VanDerWaalsContact C-CD2 3.42Å; G43-L148 WeakPolarHBondContact O-CD2 3.44Å; V45-L148 HydrophobicContact CG2-CB 3.56Å; V45-L148 HydrophobicContact CG2-CD2 4.17Å; V50-L148 HydrophobicContact CG1-CD1 3.9Å; L52-L148 HydrophobicContact CD2-CD1 3.74Å; V137-L148 HydrophobicContact CG1-CD1 3.73Å; L138-L148 WeakPolarHBondContact O-CA 3.47Å; L148-L160 PolarHBondContact O-N 2.7Å; L148-I163 HydrophobicContact CD2-CB 4.19Å; L148-I163 HydrophobicContact CD2-CD1 4.21Å; L148-I163 HydrophobicContact CD2-CG1 3.88Å; L148-I163 HydrophobicContact CG-CD1 3.83Å; L148-I163 HydrophobicContact CG-CG1 4.07Å
149	Y	98.6	Very high	97	Very high	21 Å²	21	39.6 Å²	39.6	8%	0.082	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.4	-177.6	-60.2	-82.7	0	0	0	111.8	V114 L118 V137 L138 H147 D158 K159	V114-Y149 HydrophobicContact CB-CE2 4.35Å; V114-Y149 HydrophobicContact CG1-CD2 3.91Å; V114-Y149 HydrophobicContact CG1-CE2 3.8Å; L118-Y149 HydrophobicContact CD1-CD1 4.39Å; L118-Y149 HydrophobicContact CD1-CG 4.03Å; L118-Y149 HydrophobicContact CD2-CD1 3.57Å; L118-Y149 HydrophobicContact CD2-CD2 3.95Å; L118-Y149 HydrophobicContact CD2-CE1 3.62Å; L118-Y149 HydrophobicContact CD2-CE2 4Å; L118-Y149 HydrophobicContact CD2-CG 3.75Å; L118-Y149 HydrophobicContact CG-CG 4.45Å; V137-Y149 WeakPolarHBondContact CA-O 3.48Å; L138-Y149 PolarHBondContact N-O 2.86Å; L138-Y149 PolarHBondContact O-N 2.71Å; H147-Y149 HydrophobicContact CB-CD2 4.36Å; H147-Y149 HydrophobicContact CB-CE2 3.58Å; Y149-D158 CarbonylContact C-O 3.6Å; Y149-D158 VanDerWaalsContact CA-O 3.22Å; Y149-D158 WeakPolarHBondContact CA-O 3.2Å; Y149-K159 HydrophobicContact CD1-CB 3.72Å; Y149-K159 HydrophobicContact CD1-CG 3.96Å; Y149-K159 HydrophobicContact CE1-CB 3.54Å; Y149-K159 HydrophobicContact CE1-CD 3.72Å; Y149-K159 HydrophobicContact CE1-CG 3.52Å
150	S	98	Very high	97	Very high	11 Å²	11	43.5 Å²	43.5	8%	0.077	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	144.6	164.9	59	0	0	0	0	108.3	T157 D158	S150-T157 VanDerWaalsContact O-CA 3.25Å; S150-T157 WeakPolarHBondContact O-CA 3.35Å; S150-D158 PolarHBondContact N-O 3.43Å; S150-D158 PolarHBondContact O-N 2.98Å; S150-D158 WeakPolarHBondContact OG-CB 3.46Å; S150-D158 PolarHBondContact OG-N 3.48Å; S150-D158 PolarHBondContact OG-OD2 3.49Å
151	I	98.1	Very high	96.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	112.3	172.9	-46.5	170.8	0	0	0	107.1	L118 L121 L125 L136 L138 S156 T157	L118-I151 HydrophobicContact CD1-CD1 3.68Å; L118-I151 HydrophobicContact CD1-CG1 3.74Å; L121-I151 HydrophobicContact CB-CD1 3.73Å; L121-I151 HydrophobicContact CD1-CD1 3.53Å; L121-I151 HydrophobicContact CG-CD1 4.25Å; L125-I151 HydrophobicContact CD1-CG2 3.65Å; L136-I151 HydrophobicContact CB-CB 4.18Å; L136-I151 HydrophobicContact CB-CD1 4.43Å; L136-I151 PolarHBondContact N-O 3.01Å; L136-I151 PolarHBondContact O-N 2.98Å; L138-I151 HydrophobicContact CB-CD1 4.31Å; I151-S156 WeakPolarHBondContact CA-O 3.49Å; I151-T157 HydrophobicContact CB-CG2 4.46Å; I151-T157 HydrophobicContact CG1-CG2 4.13Å; I151-T157 HydrophobicContact CG2-CG2 4.1Å
152	A	96.6	Very high	96.9	Very high	18 Å²	18	47 Å²	47	15%	0.149	27%	0.272	C	S	.	.			trans	-81.6	158.1	177.3	0	0	0	0	0	110.8	H154 G155 S156	A152-H154 WeakPolarHBondContact CB-CE1 3.34Å; A152-H154 VanDerWaalsContact CB-ND1 3.27Å; A152-H154 WeakPolarHBondContact CB-ND1 3.29Å; A152-H154 PolarHBondContact O-N 2.85Å; A152-G155 PolarHBondContact O-N 2.8Å; A152-S156 WeakPolarHBondContact CB-OG 3.38Å; A152-S156 PolarHBondContact N-O 3.06Å
153	P	94.7	Very high	97	Very high	42 Å²	42	46.4 Å²	46.4	27%	0.273	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.4	-174.9	-27.9	34.9	0	0	0	115.3	A134 A135 G155	A134-P153 WeakPolarHBondContact O-CA 3.31Å; A135-P153 HydrophobicContact CB-CG 4.25Å; P153-G155 VanDerWaalsContact C-N 3.28Å; P153-G155 PolarHBondContact O-N 2.99Å
154	H	94	Very high	97.2	Very high	107 Å²	107	41.6 Å²	41.6	50%	0.495	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	0.3	175	63.2	-22.7	0	0	0	115.4	A152 S156	A152-H154 WeakPolarHBondContact CB-CE1 3.34Å; A152-H154 VanDerWaalsContact CB-ND1 3.27Å; A152-H154 WeakPolarHBondContact CB-ND1 3.29Å; A152-H154 PolarHBondContact O-N 2.85Å; H154-S156 VanDerWaalsContact CE1-CB 3.46Å; H154-S156 WeakPolarHBondContact CE1-CB 3.23Å; H154-S156 PolarHBondContact CE1-OG 2.85Å
155	G	93.8	Very high	97.3	Very high	11 Å²	11	39 Å²	39	11%	0.113	22%	0.216	C	C	.	.	S	Bend	trans	90.7	4.5	176.8	0	0	0	0	0	116.2	A152 P153	A152-G155 PolarHBondContact O-N 2.8Å; P153-G155 VanDerWaalsContact C-N 3.28Å; P153-G155 PolarHBondContact O-N 2.99Å
156	S	97.1	Very high	97.3	Very high	47 Å²	47	39.2 Å²	39.2	33%	0.329	22%	0.219	S	C	.	.			trans	-65.4	149.2	167.7	80.7	0	0	0	0	110.5	I151 A152 H154	I151-S156 WeakPolarHBondContact CA-O 3.49Å; A152-S156 WeakPolarHBondContact CB-OG 3.38Å; A152-S156 PolarHBondContact N-O 3.06Å; H154-S156 VanDerWaalsContact CE1-CB 3.46Å; H154-S156 WeakPolarHBondContact CE1-CB 3.23Å; H154-S156 PolarHBondContact CE1-OG 2.85Å
157	T	98	Very high	97.1	Very high	42 Å²	42	40.3 Å²	40.3	26%	0.258	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	131.8	-176.3	59	0	0	0	0	111.4	L118 K122 S150 I151	L118-T157 HydrophobicContact CD1-CG2 3.77Å; K122-T157 HydrophobicContact CB-CG2 3.65Å; K122-T157 HydrophobicContact CD-CG2 3.83Å; K122-T157 HydrophobicContact CG-CG2 4.42Å; S150-T157 VanDerWaalsContact O-CA 3.25Å; S150-T157 WeakPolarHBondContact O-CA 3.35Å; I151-T157 HydrophobicContact CB-CG2 4.46Å; I151-T157 HydrophobicContact CG1-CG2 4.13Å; I151-T157 HydrophobicContact CG2-CG2 4.1Å
158	D	98.1	Very high	97	Very high	87 Å²	87	39.4 Å²	39.4	47%	0.465	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148	174.4	-50.2	-60.9	0	0	0	110.7	Y149 S150 L160	Y149-D158 CarbonylContact C-O 3.6Å; Y149-D158 VanDerWaalsContact CA-O 3.22Å; Y149-D158 WeakPolarHBondContact CA-O 3.2Å; S150-D158 PolarHBondContact N-O 3.43Å; S150-D158 PolarHBondContact O-N 2.98Å; S150-D158 WeakPolarHBondContact OG-CB 3.46Å; S150-D158 PolarHBondContact OG-N 3.48Å; S150-D158 PolarHBondContact OG-OD2 3.49Å; D158-L160 HydrophobicContact CB-CD1 4.24Å; D158-L160 HydrophobicContact CB-CG 4.27Å
159	K	98	Very high	96.9	Very high	125 Å²	125	40.4 Å²	40.4	54%	0.543	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117.6	173.4	-172.6	-179.1	-179	176.1	0	108.3	H147 Y149	H147-K159 PolarHBondContact ND1-NZ 2.99Å; Y149-K159 HydrophobicContact CD1-CB 3.72Å; Y149-K159 HydrophobicContact CD1-CG 3.96Å; Y149-K159 HydrophobicContact CE1-CB 3.54Å; Y149-K159 HydrophobicContact CE1-CD 3.72Å; Y149-K159 HydrophobicContact CE1-CG 3.52Å
160	L	98	Very high	96.9	Very high	82 Å²	82	46.3 Å²	46.3	43%	0.429	26%	0.263	S	S	.	.			trans	-140.8	154.7	-172.3	-63.9	171.8	0	0	0	111	L148 D158 Y162 I163	L148-L160 PolarHBondContact O-N 2.7Å; D158-L160 HydrophobicContact CB-CD1 4.24Å; D158-L160 HydrophobicContact CB-CG 4.27Å; L160-Y162 VanDerWaalsContact C-N 3.3Å; L160-Y162 WeakPolarHBondContact CB-O 3.26Å; L160-I163 HydrophobicContact CB-CD1 4.01Å; L160-I163 HydrophobicContact CB-CG1 3.73Å; L160-I163 HydrophobicContact CD1-CG1 4.17Å; L160-I163 HydrophobicContact CG-CG1 4.48Å
161	P	97.9	Very high	96.9	Very high	44 Å²	44	46.8 Å²	46.8	29%	0.286	27%	0.268	S	S	.	.	S	Bend	trans	-69.9	-27	176.6	27.9	-34.1	0	0	0	112.9	V45 F180 F182	V45-P161 WeakPolarHBondContact CB-O 3.35Å; V45-P161 PolarHBondContact N-O 3.04Å; P161-F180 HydrophobicContact CB-CE1 4.23Å; P161-F180 HydrophobicContact CB-CZ 3.78Å; P161-F180 HydrophobicContact CG-CE1 4.46Å; P161-F180 HydrophobicContact CG-CZ 4.47Å; P161-F182 HydrophobicContact CB-CE1 4.27Å; P161-F182 HydrophobicContact CG-CE1 4.38Å
162	Y	98.3	Very high	96.9	Very high	40 Å²	40	46.8 Å²	46.8	16%	0.157	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	149	172.7	55.3	-91.5	0	0	0	109.7	G43 L160 M173 L176 E177 F180	G43-Y162 CarbonylContact O-C 3.5Å; G43-Y162 WeakPolarHBondContact O-CA 3.37Å; L160-Y162 VanDerWaalsContact C-N 3.3Å; L160-Y162 WeakPolarHBondContact CB-O 3.26Å; Y162-M173 HydrophobicContact CD2-SD 3.95Å; Y162-M173 HydrophobicContact CE2-SD 3.75Å; Y162-L176 HydrophobicContact CD2-CB 4.14Å; Y162-L176 HydrophobicContact CD2-CD1 4.26Å; Y162-E177 HydrophobicContact CE2-CG 4.46Å; Y162-E177 VanDerWaalsContact CE2-OE1 3.25Å; Y162-E177 WeakPolarHBondContact CE2-OE1 3.36Å; Y162-E177 VanDerWaalsContact CZ-OE1 3.31Å; Y162-E177 PolarHBondContact OH-OE1 2.82Å; Y162-E177 PolarHBondContact OH-OE2 2.92Å; Y162-F180 HydrophobicContact CD1-CB 4.31Å; Y162-F180 AromaticContact CD1-CD1 3.63Å; Y162-F180 HydrophobicContact CD1-CD1 3.63Å; Y162-F180 AromaticContact CD1-CD2 3.76Å; Y162-F180 HydrophobicContact CD1-CD2 3.76Å; Y162-F180 AromaticContact CD1-CE1 3.83Å; Y162-F180 HydrophobicContact CD1-CE1 3.83Å; Y162-F180 AromaticContact CD1-CE2 3.95Å; Y162-F180 HydrophobicContact CD1-CE2 3.95Å; Y162-F180 AromaticContact CD1-CG 3.6Å; Y162-F180 HydrophobicContact CD1-CG 3.6Å; Y162-F180 AromaticContact CD1-CZ 3.99Å; Y162-F180 HydrophobicContact CD1-CZ 3.99Å; Y162-F180 HydrophobicContact CE1-CB 4.38Å; Y162-F180 AromaticContact CE1-CD1 3.55Å; Y162-F180 HydrophobicContact CE1-CD1 3.55Å; Y162-F180 HydrophobicContact CE1-CD2 4.47Å; Y162-F180 AromaticContact CE1-CE1 3.92Å; Y162-F180 HydrophobicContact CE1-CE1 3.92Å; Y162-F180 AromaticContact CE1-CG 3.87Å; Y162-F180 HydrophobicContact CE1-CG 3.87Å; Y162-F180 HydrophobicContact CG-CD2 4.45Å
163	I	98.4	Very high	97	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	142.6	-172.9	-60.2	-174.4	0	0	0	109	C42 G43 V137 L148 L160 M165	C42-I163 CarbonylContact C-O 3.53Å; C42-I163 WeakPolarHBondContact CA-O 3.33Å; C42-I163 VanDerWaalsContact CB-O 3.3Å; C42-I163 WeakPolarHBondContact CB-O 3.48Å; G43-I163 PolarHBondContact N-O 3.01Å; G43-I163 PolarHBondContact O-N 3.07Å; V137-I163 HydrophobicContact CG1-CB 4.34Å; V137-I163 HydrophobicContact CG1-CG2 4.26Å; V137-I163 HydrophobicContact CG2-CG2 3.79Å; L148-I163 HydrophobicContact CD2-CB 4.19Å; L148-I163 HydrophobicContact CD2-CD1 4.21Å; L148-I163 HydrophobicContact CD2-CG1 3.88Å; L148-I163 HydrophobicContact CG-CD1 3.83Å; L148-I163 HydrophobicContact CG-CG1 4.07Å; L160-I163 HydrophobicContact CB-CD1 4.01Å; L160-I163 HydrophobicContact CB-CG1 3.73Å; L160-I163 HydrophobicContact CD1-CG1 4.17Å; L160-I163 HydrophobicContact CG-CG1 4.48Å; I163-M165 HydrophobicContact CG2-CG 4.27Å
164	T	98.2	Very high	97.1	Very high	13 Å²	13	50 Å²	50	8%	0.08	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	141	169.9	64.9	0	0	0	0	110	I41 C42 S169 C172 M173 L176	I41-T164 CarbonylContact O-C 3.6Å; I41-T164 WeakPolarHBondContact O-CA 3.49Å; C42-T164 HydrophobicContact CB-CG2 3.88Å; T164-S169 PolarHBondContact OG1-O 3.41Å; T164-C172 HydrophobicContact CG2-CB 3.96Å; T164-M173 HydrophobicContact CG2-CB 4.21Å; T164-M173 HydrophobicContact CG2-CE 4.21Å; T164-M173 HydrophobicContact CG2-SD 4.2Å; T164-M173 VanDerWaalsContact OG1-CE 3.31Å; T164-M173 WeakPolarHBondContact OG1-CE 3.19Å; T164-L176 HydrophobicContact CG2-CD1 3.45Å; T164-L176 VanDerWaalsContact CG2-CD1 3.45Å; T164-L176 HydrophobicContact CG2-CG 4.41Å
165	M	97.2	Very high	97.4	Very high	40 Å²	40	45.7 Å²	45.7	20%	0.197	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	162.8	173.6	-60.1	-68.2	-74.3	0	0	110.4	I41 A135 V137 I163	I41-M165 HydrophobicContact CD1-CB 3.88Å; I41-M165 HydrophobicContact CG1-CB 3.77Å; I41-M165 VanDerWaalsContact CG1-O 3.3Å; I41-M165 WeakPolarHBondContact CG1-O 3.35Å; I41-M165 PolarHBondContact N-O 2.82Å; I41-M165 PolarHBondContact O-N 3.42Å; A135-M165 HydrophobicContact CB-CE 3.68Å; V137-M165 HydrophobicContact CG2-CB 4.03Å; V137-M165 HydrophobicContact CG2-CG 3.53Å; I163-M165 HydrophobicContact CG2-CG 4.27Å
166	G	95.7	Very high	97.6	Very high	26 Å²	26	45.2 Å²	45.2	27%	0.268	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	100.6	-176	-178.4	0	0	0	0	0	114.1	T39 S169	T39-G166 CarbonylContact O-C 3.59Å; T39-G166 VanDerWaalsContact O-C 3.23Å; T39-G166 WeakPolarHBondContact O-CA 3.38Å; G166-S169 WeakPolarHBondContact O-CB 3.43Å; G166-S169 PolarHBondContact O-N 3.02Å; G166-S169 PolarHBondContact O-OG 3.06Å
167	S	95	Very high	97.6	Very high	62 Å²	62	48.3 Å²	48.3	43%	0.434	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-42.7	-176.7	48.5	0	0	0	0	112.9	G38 T39 S169 D204	G38-S167 WeakPolarHBondContact CA-OG 3.38Å; T39-S167 PolarHBondContact N-OG 3.34Å; T39-S167 PolarHBondContact O-N 2.85Å; T39-S167 PolarHBondContact O-OG 3.38Å; S167-S169 PolarHBondContact O-N 3.16Å; S167-D204 WeakPolarHBondContact CB-OD2 3.31Å; S167-D204 PolarHBondContact OG-OD2 3.22Å
168	G	95.8	Very high	97.6	Very high	3 Å²	3	50.4 Å²	50.4	3%	0.031	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	13.9	176.6	0	0	0	0	0	114.2	T39 T40 L170 A171 C172 D204	T39-G168 PolarHBondContact O-N 3.39Å; T40-G168 WeakPolarHBondContact OG1-CA 3.33Å; G168-L170 VanDerWaalsContact C-N 3.32Å; G168-L170 PolarHBondContact O-N 3Å; G168-A171 PolarHBondContact O-N 3.25Å; G168-C172 PolarHBondContact O-N 2.99Å; G168-C172 VanDerWaalsContact O-N 3.12Å; G168-D204 PolarHBondContact N-OD2 3.46Å
169	S	96.5	Very high	97.6	Very high	23 Å²	23	52.7 Å²	52.7	16%	0.161	29%	0.289	C	S	.	.	H	α-helix	trans	-58	-39.7	-178.7	55.4	0	0	0	0	113.2	T164 G166 S167 C172 M173	T164-S169 PolarHBondContact OG1-O 3.41Å; G166-S169 WeakPolarHBondContact O-CB 3.43Å; G166-S169 PolarHBondContact O-N 3.02Å; G166-S169 PolarHBondContact O-OG 3.06Å; S167-S169 PolarHBondContact O-N 3.16Å; S169-C172 WeakPolarHBondContact O-CB 3.31Å; S169-C172 PolarHBondContact O-N 3.27Å; S169-M173 WeakPolarHBondContact O-CB 3.24Å; S169-M173 PolarHBondContact O-N 3.47Å
170	L	97.6	Very high	97.6	Very high	144 Å²	144	48.3 Å²	48.3	75%	0.754	27%	0.27	S	S	*	.	H	α-helix	trans	-65.8	-41.7	-178.8	-63.2	177.5	0	0	0	112.5	G168 M173 S174	G168-L170 VanDerWaalsContact C-N 3.32Å; G168-L170 PolarHBondContact O-N 3Å; L170-M173 PolarHBondContact O-N 2.94Å; L170-S174 PolarHBondContact O-N 3.49Å; L170-S174 VanDerWaalsContact O-N 3.13Å
171	A	97.8	Very high	97.6	Very high	22 Å²	22	51 Å²	51	18%	0.182	28%	0.278	C	S	.	.	H	α-helix	trans	-64.2	-44.4	175.4	0	0	0	0	0	110.5	G168 M173 S174 N203	G168-A171 PolarHBondContact O-N 3.25Å; A171-M173 PolarHBondContact O-N 3.47Å; A171-S174 PolarHBondContact O-N 3.47Å; A171-S174 PolarHBondContact O-OG 3.41Å; A171-N203 HydrophobicContact CB-CB 4.04Å
172	C	98.1	Very high	97.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-46.6	174.8	-171	0	0	0	0	111.8	T40 T164 G168 S169 S174 V175 L176 G196	T40-C172 HydrophobicContact CG2-CB 3.75Å; T164-C172 HydrophobicContact CG2-CB 3.96Å; G168-C172 PolarHBondContact O-N 2.99Å; G168-C172 VanDerWaalsContact O-N 3.12Å; S169-C172 WeakPolarHBondContact O-CB 3.31Å; S169-C172 PolarHBondContact O-N 3.27Å; C172-S174 VanDerWaalsContact C-N 3.28Å; C172-S174 PolarHBondContact O-N 3.44Å; C172-V175 PolarHBondContact O-N 2.9Å; C172-L176 PolarHBondContact O-N 3.44Å; C172-L176 VanDerWaalsContact O-N 3.14Å; C172-G196 WeakPolarHBondContact CA-O 3.5Å; C172-G196 WeakPolarHBondContact CB-O 3.25Å; C172-G196 PolarHBondContact SG-O 3.43Å; C172-G196 VanDerWaalsContact SG-O 3.4Å
173	M	98.4	Very high	97.4	Very high	55 Å²	55	60.3 Å²	60.3	27%	0.271	32%	0.321	S	S	.	.	H	α-helix	trans	-59.4	-39.4	-178.5	-171.7	62.8	89.6	0	0	111.6	Y162 T164 S169 L170 A171 V175 L176 E177	Y162-M173 HydrophobicContact CD2-SD 3.95Å; Y162-M173 HydrophobicContact CE2-SD 3.75Å; T164-M173 HydrophobicContact CG2-CB 4.21Å; T164-M173 HydrophobicContact CG2-CE 4.21Å; T164-M173 HydrophobicContact CG2-SD 4.2Å; T164-M173 VanDerWaalsContact OG1-CE 3.31Å; T164-M173 WeakPolarHBondContact OG1-CE 3.19Å; S169-M173 WeakPolarHBondContact O-CB 3.24Å; S169-M173 PolarHBondContact O-N 3.47Å; L170-M173 PolarHBondContact O-N 2.94Å; A171-M173 PolarHBondContact O-N 3.47Å; M173-V175 PolarHBondContact O-N 3.39Å; M173-L176 PolarHBondContact O-N 2.99Å; M173-L176 VanDerWaalsContact O-N 3.15Å; M173-E177 HydrophobicContact CG-CG 4.03Å; M173-E177 WeakPolarHBondContact O-CB 3.35Å; M173-E177 WeakPolarHBondContact O-CG 3.48Å; M173-E177 PolarHBondContact O-N 3.23Å; M173-E177 HydrophobicContact SD-CG 4.18Å
174	S	98.3	Very high	97.3	Very high	71 Å²	71	60.5 Å²	60.5	50%	0.497	32%	0.322	S	S	.	.	H	α-helix	trans	-59	-35	177.4	75.9	0	0	0	0	113.3	L170 A171 C172 S178	L170-S174 PolarHBondContact O-N 3.49Å; L170-S174 VanDerWaalsContact O-N 3.13Å; A171-S174 PolarHBondContact O-N 3.47Å; A171-S174 PolarHBondContact O-OG 3.41Å; C172-S174 VanDerWaalsContact C-N 3.28Å; C172-S174 PolarHBondContact O-N 3.44Å; S174-S178 WeakPolarHBondContact O-CB 3.44Å; S174-S178 PolarHBondContact O-N 3.12Å; S174-S178 PolarHBondContact O-OG 3.21Å
175	V	98.3	Very high	97.3	Very high	18 Å²	18	64.1 Å²	64.1	11%	0.109	34%	0.338	C	S	.	.	H	α-helix	trans	-74.7	-41.3	176.8	-179.6	0	0	0	0	111	C172 M173 S178 R179 L192 D195 A199	C172-V175 PolarHBondContact O-N 2.9Å; M173-V175 PolarHBondContact O-N 3.39Å; V175-S178 PolarHBondContact O-N 2.89Å; V175-S178 PolarHBondContact O-OG 3.33Å; V175-S178 VanDerWaalsContact O-OG 3.04Å; V175-R179 PolarHBondContact O-N 3Å; V175-L192 HydrophobicContact CG1-CD1 4.3Å; V175-D195 HydrophobicContact CG1-CB 4.11Å; V175-A199 HydrophobicContact CG2-CB 3.49Å; V175-A199 VanDerWaalsContact CG2-CB 3.49Å
176	L	98.2	Very high	97.3	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.6	-51.7	177.8	-60.4	-173.4	0	0	0	110.9	C42 V44 Y162 T164 C172 M173 S178 R179 F180 L192	C42-L176 HydrophobicContact CB-CD1 4.3Å; V44-L176 HydrophobicContact CG2-CD1 4.33Å; V44-L176 HydrophobicContact CG2-CD2 3.92Å; Y162-L176 HydrophobicContact CD2-CB 4.14Å; Y162-L176 HydrophobicContact CD2-CD1 4.26Å; T164-L176 HydrophobicContact CG2-CD1 3.45Å; T164-L176 VanDerWaalsContact CG2-CD1 3.45Å; T164-L176 HydrophobicContact CG2-CG 4.41Å; C172-L176 PolarHBondContact O-N 3.44Å; C172-L176 VanDerWaalsContact O-N 3.14Å; M173-L176 PolarHBondContact O-N 2.99Å; M173-L176 VanDerWaalsContact O-N 3.15Å; L176-S178 VanDerWaalsContact C-N 3.26Å; L176-S178 PolarHBondContact O-N 2.89Å; L176-R179 PolarHBondContact O-N 3.36Å; L176-F180 WeakPolarHBondContact O-CA 3.21Å; L176-F180 WeakPolarHBondContact O-CB 3.41Å; L176-F180 PolarHBondContact O-N 3.16Å; L176-L192 HydrophobicContact CD2-CD1 4.11Å; L176-L192 HydrophobicContact CD2-CD2 4.02Å; L176-L192 HydrophobicContact CD2-CG 3.66Å
177	E	98.1	Very high	97.4	Very high	112 Å²	112	70.4 Å²	70.4	52%	0.523	36%	0.364	S	S	.	.	H	α-helix	trans	-56.9	-37.4	178.7	-74.5	-69.3	160.2	0	0	112.9	Y162 M173	Y162-E177 HydrophobicContact CE2-CG 4.46Å; Y162-E177 VanDerWaalsContact CE2-OE1 3.25Å; Y162-E177 WeakPolarHBondContact CE2-OE1 3.36Å; Y162-E177 VanDerWaalsContact CZ-OE1 3.31Å; Y162-E177 PolarHBondContact OH-OE1 2.82Å; Y162-E177 PolarHBondContact OH-OE2 2.92Å; M173-E177 HydrophobicContact CG-CG 4.03Å; M173-E177 WeakPolarHBondContact O-CB 3.35Å; M173-E177 WeakPolarHBondContact O-CG 3.48Å; M173-E177 PolarHBondContact O-N 3.23Å; M173-E177 HydrophobicContact SD-CG 4.18Å
178	S	98	Very high	97.5	Very high	87 Å²	87	72.6 Å²	72.6	61%	0.608	37%	0.367	S	S	*	.	H	α-helix	trans	-77.4	-21.5	-176.7	57.5	0	0	0	0	114.7	S174 V175 L176	S174-S178 WeakPolarHBondContact O-CB 3.44Å; S174-S178 PolarHBondContact O-N 3.12Å; S174-S178 PolarHBondContact O-OG 3.21Å; V175-S178 PolarHBondContact O-N 2.89Å; V175-S178 PolarHBondContact O-OG 3.33Å; V175-S178 VanDerWaalsContact O-OG 3.04Å; L176-S178 VanDerWaalsContact C-N 3.26Å; L176-S178 PolarHBondContact O-N 2.89Å
179	R	97.6	Very high	97.7	Very high	135 Å²	135	72.4 Å²	72.4	51%	0.509	37%	0.366	S	S	.	.	H	α-helix	trans	-129.8	-14	-168.8	-62.4	179.7	-169.9	-176.9	4.8	114.6	V175 L176 L192 D195	V175-R179 PolarHBondContact O-N 3Å; L176-R179 PolarHBondContact O-N 3.36Å; R179-L192 HydrophobicContact CB-CD1 3.58Å; R179-D195 IonicContact NH1-OD2 2.66Å; R179-D195 PolarHBondContact NH1-OD2 3.39Å
180	F	98.1	Very high	97.7	Very high	33 Å²	33	71.6 Å²	71.6	15%	0.145	36%	0.359	C	S	.	.			trans	-60.8	140	-178.7	176.6	-96.9	0	0	0	111.4	V44 P161 Y162 L176 F182 M184 L192	V44-F180 HydrophobicContact CG1-CD2 3.95Å; V44-F180 HydrophobicContact CG1-CE2 3.77Å; P161-F180 HydrophobicContact CB-CE1 4.23Å; P161-F180 HydrophobicContact CB-CZ 3.78Å; P161-F180 HydrophobicContact CG-CE1 4.46Å; P161-F180 HydrophobicContact CG-CZ 4.47Å; Y162-F180 HydrophobicContact CD1-CB 4.31Å; Y162-F180 AromaticContact CD1-CD1 3.63Å; Y162-F180 HydrophobicContact CD1-CD1 3.63Å; Y162-F180 AromaticContact CD1-CD2 3.76Å; Y162-F180 HydrophobicContact CD1-CD2 3.76Å; Y162-F180 AromaticContact CD1-CE1 3.83Å; Y162-F180 HydrophobicContact CD1-CE1 3.83Å; Y162-F180 AromaticContact CD1-CE2 3.95Å; Y162-F180 HydrophobicContact CD1-CE2 3.95Å; Y162-F180 AromaticContact CD1-CG 3.6Å; Y162-F180 HydrophobicContact CD1-CG 3.6Å; Y162-F180 AromaticContact CD1-CZ 3.99Å; Y162-F180 HydrophobicContact CD1-CZ 3.99Å; Y162-F180 HydrophobicContact CE1-CB 4.38Å; Y162-F180 AromaticContact CE1-CD1 3.55Å; Y162-F180 HydrophobicContact CE1-CD1 3.55Å; Y162-F180 HydrophobicContact CE1-CD2 4.47Å; Y162-F180 AromaticContact CE1-CE1 3.92Å; Y162-F180 HydrophobicContact CE1-CE1 3.92Å; Y162-F180 AromaticContact CE1-CG 3.87Å; Y162-F180 HydrophobicContact CE1-CG 3.87Å; Y162-F180 HydrophobicContact CG-CD2 4.45Å; L176-F180 WeakPolarHBondContact O-CA 3.21Å; L176-F180 WeakPolarHBondContact O-CB 3.41Å; L176-F180 PolarHBondContact O-N 3.16Å; F180-F182 HydrophobicContact CE1-CD1 4.08Å; F180-F182 HydrophobicContact CE1-CD2 4.39Å; F180-F182 HydrophobicContact CE1-CE1 4.05Å; F180-F182 HydrophobicContact CE1-CE2 4.36Å; F180-F182 HydrophobicContact CE1-CG 4.25Å; F180-F182 HydrophobicContact CE1-CZ 4.19Å; F180-F182 HydrophobicContact CZ-CD1 4.23Å; F180-F182 HydrophobicContact CZ-CE1 4.42Å; F180-M184 HydrophobicContact CD2-CE 3.88Å; F180-M184 HydrophobicContact CE2-CE 4.05Å; F180-L192 HydrophobicContact CB-CD2 4.14Å; F180-L192 HydrophobicContact CD2-CD2 4.17Å
181	K	97.3	Very high	97.7	Very high	139 Å²	139	70.9 Å²	70.9	60%	0.604	35%	0.35	S	S	*	.			trans	-134.3	149.5	170.5	-62.3	176.9	-173.2	172.3	0	108.3	M184	K181-M184 HydrophobicContact CB-CG 3.93Å; K181-M184 HydrophobicContact CB-SD 4.34Å; K181-M184 VanDerWaalsContact O-CG 3.29Å; K181-M184 WeakPolarHBondContact O-CG 3.3Å
182	F	96.4	Very high	97.8	Very high	156 Å²	156	70.3 Å²	70.3	68%	0.684	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	149.1	169.4	-67.4	-80.1	0	0	0	110.2	P161 F180 M184	P161-F182 HydrophobicContact CB-CE1 4.27Å; P161-F182 HydrophobicContact CG-CE1 4.38Å; F180-F182 HydrophobicContact CE1-CD1 4.08Å; F180-F182 HydrophobicContact CE1-CD2 4.39Å; F180-F182 HydrophobicContact CE1-CE1 4.05Å; F180-F182 HydrophobicContact CE1-CE2 4.36Å; F180-F182 HydrophobicContact CE1-CG 4.25Å; F180-F182 HydrophobicContact CE1-CZ 4.19Å; F180-F182 HydrophobicContact CZ-CD1 4.23Å; F180-F182 HydrophobicContact CZ-CE1 4.42Å; F182-M184 VanDerWaalsContact C-N 3.26Å; F182-M184 PolarHBondContact O-N 2.86Å
183	D	95.5	Very high	97.8	Very high	122 Å²	122	70.3 Å²	70.3	65%	0.652	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	33.5	174.9	-53.6	-46.4	0	0	0	115.5	K47	K47-D183 HydrophobicContact CB-CB 4.46Å
184	M	97.3	Very high	97.7	Very high	9 Å²	9	71.6 Å²	71.6	4%	0.044	35%	0.346	C	S	.	.			trans	-56.8	149.8	171.4	-71.5	178.4	-43.1	0	0	111.8	V44 F46 K47 F180 K181 F182 E188 A189 L192	V44-M184 HydrophobicContact CG1-CE 3.67Å; F46-M184 WeakPolarHBondContact CB-O 3.41Å; K47-M184 WeakPolarHBondContact CB-O 3.36Å; K47-M184 PolarHBondContact N-O 3.36Å; K47-M184 VanDerWaalsContact N-O 3.12Å; F180-M184 HydrophobicContact CD2-CE 3.88Å; F180-M184 HydrophobicContact CE2-CE 4.05Å; K181-M184 HydrophobicContact CB-CG 3.93Å; K181-M184 HydrophobicContact CB-SD 4.34Å; K181-M184 VanDerWaalsContact O-CG 3.29Å; K181-M184 WeakPolarHBondContact O-CG 3.3Å; F182-M184 VanDerWaalsContact C-N 3.26Å; F182-M184 PolarHBondContact O-N 2.86Å; M184-E188 HydrophobicContact CB-CB 4.27Å; M184-A189 HydrophobicContact CE-CB 4.01Å; M184-L192 HydrophobicContact CE-CD2 3.77Å; M184-L192 HydrophobicContact SD-CD2 4.08Å
185	E	98	Very high	97.7	Very high	90 Å²	90	69.6 Å²	69.6	42%	0.421	33%	0.329	S	S	.	.			trans	-73.5	159.2	169	-66	-61.2	150.6	0	0	110.6	K47 D187 E188 A189	K47-E185 WeakPolarHBondContact CD-OE1 3.45Å; K47-E185 IonicContact NZ-OE1 2.86Å; K47-E185 PolarHBondContact NZ-OE1 3.23Å; E185-D187 VanDerWaalsContact C-N 3.34Å; E185-D187 PolarHBondContact O-N 2.9Å; E185-E188 PolarHBondContact O-N 2.74Å; E185-A189 PolarHBondContact O-N 3.11Å; E185-A189 VanDerWaalsContact O-N 3.09Å
186	Q	97.7	Very high	97.7	Very high	71 Å²	71	68.7 Å²	68.7	33%	0.332	32%	0.324	S	S	.	.	H	α-helix	trans	-54.8	-47.3	-172	-176.2	-178.5	-70	0	0	112.7	F46 E188 A189 V190 I215	F46-Q186 HydrophobicContact CD2-CB 4.21Å; F46-Q186 HydrophobicContact CE2-CB 3.73Å; F46-Q186 HydrophobicContact CE2-CG 4.01Å; F46-Q186 HydrophobicContact CZ-CB 4.25Å; F46-Q186 HydrophobicContact CZ-CG 3.99Å; Q186-E188 VanDerWaalsContact C-N 3.32Å; Q186-E188 PolarHBondContact O-N 3.25Å; Q186-A189 PolarHBondContact O-N 3.28Å; Q186-V190 HydrophobicContact CG-CG2 4.41Å; Q186-V190 WeakPolarHBondContact O-CG2 3.33Å; Q186-V190 PolarHBondContact O-N 3.36Å; Q186-I215 HydrophobicContact CG-CG2 4.14Å
187	D	97.5	Very high	97.7	Very high	127 Å²	127	68.7 Å²	68.7	68%	0.679	32%	0.324	S	S	*	.	H	α-helix	trans	-67.5	-34.1	-175.8	-64.1	-22.6	0	0	0	112.2	E185 K191	E185-D187 VanDerWaalsContact C-N 3.34Å; E185-D187 PolarHBondContact O-N 2.9Å; D187-K191 WeakPolarHBondContact O-CB 3.42Å; D187-K191 PolarHBondContact O-N 2.85Å
188	E	97.8	Very high	97.7	Very high	107 Å²	107	64.3 Å²	64.3	50%	0.5	31%	0.307	S	S	.	.	H	α-helix	trans	-65.8	-43.7	174.2	-64	-171.1	148.8	0	0	110.9	M184 E185 Q186 K191 L192	M184-E188 HydrophobicContact CB-CB 4.27Å; E185-E188 PolarHBondContact O-N 2.74Å; Q186-E188 VanDerWaalsContact C-N 3.32Å; Q186-E188 PolarHBondContact O-N 3.25Å; E188-K191 PolarHBondContact O-N 2.65Å; E188-L192 WeakPolarHBondContact O-CB 3.48Å; E188-L192 PolarHBondContact O-N 3.26Å
189	A	98.1	Very high	97.6	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.8	-43	177.3	0	0	0	0	0	112.3	F46 V51 M184 E185 Q186 L192 V193	F46-A189 HydrophobicContact CB-CB 3.62Å; F46-A189 HydrophobicContact CD1-CB 4.33Å; F46-A189 HydrophobicContact CG-CB 4.1Å; V51-A189 HydrophobicContact CG2-CB 4.01Å; M184-A189 HydrophobicContact CE-CB 4.01Å; E185-A189 PolarHBondContact O-N 3.11Å; E185-A189 VanDerWaalsContact O-N 3.09Å; Q186-A189 PolarHBondContact O-N 3.28Å; A189-L192 PolarHBondContact O-N 3.3Å; A189-V193 WeakPolarHBondContact O-CG2 3.44Å; A189-V193 PolarHBondContact O-N 2.6Å
190	V	98.2	Very high	97.6	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.03	26%	0.261	C	S	.	.	H	α-helix	trans	-59.7	-47.3	175.2	169.1	0	0	0	0	110.7	V51 Q186 L192 V193 R194 I213 I215 Y227	V51-V190 HydrophobicContact CG1-CG2 4.27Å; V51-V190 HydrophobicContact CG2-CG2 4.04Å; Q186-V190 HydrophobicContact CG-CG2 4.41Å; Q186-V190 WeakPolarHBondContact O-CG2 3.33Å; Q186-V190 PolarHBondContact O-N 3.36Å; V190-L192 PolarHBondContact O-N 2.91Å; V190-V193 PolarHBondContact O-N 2.94Å; V190-R194 VanDerWaalsContact O-CB 3.32Å; V190-R194 WeakPolarHBondContact O-CB 3.44Å; V190-R194 PolarHBondContact O-N 3.06Å; V190-I213 HydrophobicContact CG1-CD1 3.84Å; V190-I213 HydrophobicContact CG1-CG2 4.43Å; V190-I215 HydrophobicContact CG2-CD1 3.63Å; V190-I215 HydrophobicContact CG2-CG1 3.82Å; V190-Y227 HydrophobicContact CG1-CE1 4.25Å; V190-Y227 HydrophobicContact CG1-CE2 3.93Å
191	K	97.8	Very high	97.6	Very high	130 Å²	130	53.5 Å²	53.5	57%	0.565	26%	0.256	S	S	*	.	H	α-helix	trans	-63.3	-40.9	177.9	-172.7	176.4	-178.9	179.3	0	112.1	D187 E188 R194 D195	D187-K191 WeakPolarHBondContact O-CB 3.42Å; D187-K191 PolarHBondContact O-N 2.85Å; E188-K191 PolarHBondContact O-N 2.65Å; K191-R194 PolarHBondContact O-N 2.66Å; K191-D195 WeakPolarHBondContact O-CB 3.3Å; K191-D195 PolarHBondContact O-N 3.12Å
192	L	98.3	Very high	97.5	Very high	9 Å²	9	53 Å²	53	5%	0.047	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-47.3	177.5	-179.1	62.9	0	0	0	111.6	V44 V175 L176 R179 F180 M184 E188 A189 V190 D195 G196	V44-L192 HydrophobicContact CG2-CD2 4.45Å; V175-L192 HydrophobicContact CG1-CD1 4.3Å; L176-L192 HydrophobicContact CD2-CD1 4.11Å; L176-L192 HydrophobicContact CD2-CD2 4.02Å; L176-L192 HydrophobicContact CD2-CG 3.66Å; R179-L192 HydrophobicContact CB-CD1 3.58Å; F180-L192 HydrophobicContact CB-CD2 4.14Å; F180-L192 HydrophobicContact CD2-CD2 4.17Å; M184-L192 HydrophobicContact CE-CD2 3.77Å; M184-L192 HydrophobicContact SD-CD2 4.08Å; E188-L192 WeakPolarHBondContact O-CB 3.48Å; E188-L192 PolarHBondContact O-N 3.26Å; A189-L192 PolarHBondContact O-N 3.3Å; V190-L192 PolarHBondContact O-N 2.91Å; L192-D195 PolarHBondContact O-N 3.04Å; L192-G196 PolarHBondContact O-N 3.45Å
193	V	98.3	Very high	97.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-47	176.6	164.5	0	0	0	0	110.7	V44 V51 A189 V190 D195 G196 I197	V44-V193 HydrophobicContact CB-CG2 3.89Å; V44-V193 HydrophobicContact CG2-CG2 3.6Å; V51-V193 HydrophobicContact CB-CG2 4.07Å; V51-V193 HydrophobicContact CG1-CB 4.01Å; V51-V193 HydrophobicContact CG1-CG1 4.08Å; V51-V193 HydrophobicContact CG1-CG2 3.84Å; A189-V193 WeakPolarHBondContact O-CG2 3.44Å; A189-V193 PolarHBondContact O-N 2.6Å; V190-V193 PolarHBondContact O-N 2.94Å; V193-D195 PolarHBondContact O-N 3.04Å; V193-G196 PolarHBondContact O-N 2.93Å; V193-I197 WeakPolarHBondContact O-CG1 3.45Å; V193-I197 PolarHBondContact O-N 3.45Å
194	R	97.6	Very high	97.6	Very high	82 Å²	82	47.4 Å²	47.4	31%	0.309	23%	0.231	S	C	.	.	H	α-helix	trans	-56	-50.6	176.8	176.4	-90	-150.6	163.9	4	112.2	V190 K191 G196 I197 A198 I213 Y227 D228	V190-R194 VanDerWaalsContact O-CB 3.32Å; V190-R194 WeakPolarHBondContact O-CB 3.44Å; V190-R194 PolarHBondContact O-N 3.06Å; K191-R194 PolarHBondContact O-N 2.66Å; R194-G196 VanDerWaalsContact C-N 3.31Å; R194-G196 PolarHBondContact O-N 3.45Å; R194-I197 PolarHBondContact O-N 2.7Å; R194-A198 WeakPolarHBondContact O-CB 3.4Å; R194-A198 PolarHBondContact O-N 3.11Å; R194-I213 HydrophobicContact CB-CD1 3.95Å; R194-Y227 HydrophobicContact CB-CD1 4.43Å; R194-Y227 HydrophobicContact CB-CE1 4.23Å; R194-Y227 HydrophobicContact CG-CD1 4.07Å; R194-Y227 HydrophobicContact CG-CE1 3.95Å; R194-D228 HydrophobicContact CG-CB 4.37Å; R194-D228 IonicContact CZ-OD2 2.77Å; R194-D228 IonicContact NE-OD2 2.89Å; R194-D228 PolarHBondContact NE-OD2 2.78Å; R194-D228 IonicContact NH2-OD2 3.19Å; R194-D228 PolarHBondContact NH2-OD2 2.83Å
195	D	97.8	Very high	97.4	Very high	29 Å²	29	55.4 Å²	55.4	16%	0.155	27%	0.271	C	S	.	.	H	α-helix	trans	-64.8	-37	179.9	-75.1	-1.5	0	0	0	111.3	V175 R179 K191 L192 V193 A198 A199	V175-D195 HydrophobicContact CG1-CB 4.11Å; R179-D195 IonicContact NH1-OD2 2.66Å; R179-D195 PolarHBondContact NH1-OD2 3.39Å; K191-D195 WeakPolarHBondContact O-CB 3.3Å; K191-D195 PolarHBondContact O-N 3.12Å; L192-D195 PolarHBondContact O-N 3.04Å; V193-D195 PolarHBondContact O-N 3.04Å; D195-A198 PolarHBondContact O-N 2.82Å; D195-A199 PolarHBondContact O-N 3.14Å
196	G	98	Very high	97.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-46	175	0	0	0	0	0	112.7	C172 L192 V193 R194 A199 G200	C172-G196 WeakPolarHBondContact CA-O 3.5Å; C172-G196 WeakPolarHBondContact CB-O 3.25Å; C172-G196 PolarHBondContact SG-O 3.43Å; C172-G196 VanDerWaalsContact SG-O 3.4Å; L192-G196 PolarHBondContact O-N 3.45Å; V193-G196 PolarHBondContact O-N 2.93Å; R194-G196 VanDerWaalsContact C-N 3.31Å; R194-G196 PolarHBondContact O-N 3.45Å; G196-A199 PolarHBondContact O-N 3.42Å; G196-G200 PolarHBondContact O-N 3.05Å
197	I	98.1	Very high	97.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.6	-42.2	175.4	-61.7	-57.7	0	0	0	110.4	T40 C42 D55 V193 R194 A199 G200 I201 V211	T40-I197 HydrophobicContact CG2-CD1 3.81Å; C42-I197 HydrophobicContact CB-CD1 4.22Å; C42-I197 WeakPolarHBondContact SG-CD1 3.4Å; D55-I197 HydrophobicContact CB-CG2 4.06Å; V193-I197 WeakPolarHBondContact O-CG1 3.45Å; V193-I197 PolarHBondContact O-N 3.45Å; R194-I197 PolarHBondContact O-N 2.7Å; I197-A199 VanDerWaalsContact C-N 3.29Å; I197-A199 PolarHBondContact O-N 3.26Å; I197-G200 CarbonylContact O-C 3.21Å; I197-G200 WeakPolarHBondContact O-CA 3.47Å; I197-G200 PolarHBondContact O-N 3.45Å; I197-I201 HydrophobicContact CG2-CD1 4.01Å; I197-I201 HydrophobicContact CG2-CG1 4.26Å; I197-I201 WeakPolarHBondContact O-CG1 3.44Å; I197-I201 PolarHBondContact O-N 3.04Å; I197-V211 HydrophobicContact CB-CG1 3.97Å; I197-V211 HydrophobicContact CB-CG2 4.32Å; I197-V211 HydrophobicContact CG1-CG1 4.32Å; I197-V211 HydrophobicContact CG2-CB 4.39Å; I197-V211 HydrophobicContact CG2-CG1 3.98Å; I197-V211 HydrophobicContact CG2-CG2 3.89Å
198	A	97.2	Very high	96.9	Very high	19 Å²	19	42.2 Å²	42.2	16%	0.157	21%	0.208	C	C	.	.	H	α-helix	trans	-58.8	-40.4	176.6	0	0	0	0	0	112	R194 D195 G200 I201 F202	R194-A198 WeakPolarHBondContact O-CB 3.4Å; R194-A198 PolarHBondContact O-N 3.11Å; D195-A198 PolarHBondContact O-N 2.82Å; A198-G200 VanDerWaalsContact C-N 3.31Å; A198-G200 PolarHBondContact O-N 2.85Å; A198-I201 WeakPolarHBondContact O-CB 3.29Å; A198-I201 PolarHBondContact O-N 3.49Å; A198-I201 VanDerWaalsContact O-N 3.16Å; A198-F202 WeakPolarHBondContact O-CD2 3.44Å; A198-F202 PolarHBondContact O-N 2.99Å
199	A	97.7	Very high	96.8	Very high	18 Å²	18	37.9 Å²	37.9	15%	0.149	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-38.6	172.9	0	0	0	0	0	112.4	V175 D195 G196 I197 N203	V175-A199 HydrophobicContact CG2-CB 3.49Å; V175-A199 VanDerWaalsContact CG2-CB 3.49Å; D195-A199 PolarHBondContact O-N 3.14Å; G196-A199 PolarHBondContact O-N 3.42Å; I197-A199 VanDerWaalsContact C-N 3.29Å; I197-A199 PolarHBondContact O-N 3.26Å; A199-N203 WeakPolarHBondContact O-CB 3.49Å; A199-N203 PolarHBondContact O-N 3.44Å; A199-N203 PolarHBondContact O-ND2 2.96Å
200	G	97.3	Very high	96.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-48.1	169.6	0	0	0	0	0	112.4	G196 I197 A198 F202 N203 D204	G196-G200 PolarHBondContact O-N 3.05Å; I197-G200 CarbonylContact O-C 3.21Å; I197-G200 WeakPolarHBondContact O-CA 3.47Å; I197-G200 PolarHBondContact O-N 3.45Å; A198-G200 VanDerWaalsContact C-N 3.31Å; A198-G200 PolarHBondContact O-N 2.85Å; G200-F202 PolarHBondContact O-N 3.46Å; G200-N203 PolarHBondContact O-N 3.48Å; G200-D204 VanDerWaalsContact O-CB 3.3Å; G200-D204 WeakPolarHBondContact O-CB 3.4Å; G200-D204 PolarHBondContact O-N 3.21Å
201	I	96.8	Very high	96.6	Very high	11 Å²	11	38.8 Å²	38.8	6%	0.056	19%	0.194	C	C	.	.	H	α-helix	trans	-57.3	-43.9	-179.8	-70.1	174.7	0	0	0	112.4	D55 I197 A198 V211 A230	D55-I201 HydrophobicContact CB-CD1 4.33Å; D55-I201 HydrophobicContact CB-CG1 4.11Å; I197-I201 HydrophobicContact CG2-CD1 4.01Å; I197-I201 HydrophobicContact CG2-CG1 4.26Å; I197-I201 WeakPolarHBondContact O-CG1 3.44Å; I197-I201 PolarHBondContact O-N 3.04Å; A198-I201 WeakPolarHBondContact O-CB 3.29Å; A198-I201 PolarHBondContact O-N 3.49Å; A198-I201 VanDerWaalsContact O-N 3.16Å; I201-V211 HydrophobicContact CD1-CG2 3.71Å; I201-A230 HydrophobicContact CD1-CB 4.08Å; I201-A230 HydrophobicContact CG2-CB 3.91Å
202	F	97	Very high	96.6	Very high	129 Å²	129	32.6 Å²	32.6	57%	0.566	17%	0.167	S	C	*	.	H	α-helix	trans	-84.6	-15.9	-175.8	-71.7	-68.1	0	0	0	114.3	A198 G200 A230	A198-F202 WeakPolarHBondContact O-CD2 3.44Å; A198-F202 PolarHBondContact O-N 2.99Å; G200-F202 PolarHBondContact O-N 3.46Å; F202-A230 HydrophobicContact CE2-CB 4.25Å; F202-A230 HydrophobicContact CZ-CB 4.11Å
203	N	97	Very high	96.6	Very high	127 Å²	127	32.1 Å²	32.1	68%	0.679	17%	0.165	S	C	*	.	H	α-helix	trans	-115.3	-8.5	-176.6	-63	-75.2	0	0	0	114.3	A171 A199 G200	A171-N203 HydrophobicContact CB-CB 4.04Å; A199-N203 WeakPolarHBondContact O-CB 3.49Å; A199-N203 PolarHBondContact O-N 3.44Å; A199-N203 PolarHBondContact O-ND2 2.96Å; G200-N203 PolarHBondContact O-N 3.48Å
204	D	95.9	Very high	96.6	Very high	32 Å²	32	32.1 Å²	32.1	17%	0.171	17%	0.165	C	C	.	.			trans	-119.2	126.1	176	175	40.1	0	0	0	111.3	S167 G168 G200 G206 S207	S167-D204 WeakPolarHBondContact CB-OD2 3.31Å; S167-D204 PolarHBondContact OG-OD2 3.22Å; G168-D204 PolarHBondContact N-OD2 3.46Å; G200-D204 VanDerWaalsContact O-CB 3.3Å; G200-D204 WeakPolarHBondContact O-CB 3.4Å; G200-D204 PolarHBondContact O-N 3.21Å; D204-G206 PolarHBondContact O-N 3.49Å; D204-G206 PolarHBondContact OD1-N 3.05Å; D204-S207 PolarHBondContact O-N 3.35Å; D204-S207 WeakPolarHBondContact OD2-CB 3.43Å; D204-S207 PolarHBondContact OD2-N 2.92Å; D204-S207 VanDerWaalsContact OD2-N 3.11Å; D204-S207 PolarHBondContact OD2-OG 3.25Å
205	M	93.8	Very high	96.7	Very high	178 Å²	178	28.8 Å²	28.8	88%	0.877	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-31.3	178.4	-63.4	-172.5	-71.7	0	0	112.4	R57 S207	R57-M205 PolarHBondContact NH1-O 3.49Å; M205-S207 VanDerWaalsContact C-N 3.31Å
206	G	93.1	Very high	96.7	Very high	11 Å²	11	27.4 Å²	27.4	11%	0.113	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-24.6	-178.7	0	0	0	0	0	114.2	G38 R57 D204	G38-G206 CarbonylContact C-O 3.6Å; G38-G206 WeakPolarHBondContact CA-O 3.5Å; G38-G206 VanDerWaalsContact O-O 3.12Å; R57-G206 WeakPolarHBondContact CD-O 3.39Å; D204-G206 PolarHBondContact O-N 3.49Å; D204-G206 PolarHBondContact OD1-N 3.05Å
207	S	95.3	Very high	96.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.			trans	-100.9	155.6	-176.2	-57.7	0	0	0	0	111.2	T39 T40 D55 R57 D204 M205	T39-S207 VanDerWaalsContact C-OG 3.25Å; T40-S207 PolarHBondContact N-OG 2.95Å; T40-S207 WeakPolarHBondContact OG1-CB 3.49Å; T40-S207 PolarHBondContact OG1-OG 3.02Å; D55-S207 WeakPolarHBondContact OD2-CA 3.35Å; R57-S207 PolarHBondContact NH1-O 3.24Å; R57-S207 VanDerWaalsContact NH1-O 3.13Å; D204-S207 PolarHBondContact O-N 3.35Å; D204-S207 WeakPolarHBondContact OD2-CB 3.43Å; D204-S207 PolarHBondContact OD2-N 2.92Å; D204-S207 VanDerWaalsContact OD2-N 3.11Å; D204-S207 PolarHBondContact OD2-OG 3.25Å; M205-S207 VanDerWaalsContact C-N 3.31Å
208	G	94.4	Very high	96.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.			trans	161.4	-168.5	173.1	0	0	0	0	0	117.3	D55 T56 R57 N210	D55-G208 PolarHBondContact OD2-N 3.13Å; T56-G208 PolarHBondContact N-O 3.19Å; R57-G208 WeakPolarHBondContact CB-O 3.37Å; R57-G208 PolarHBondContact N-O 3.13Å; R57-G208 VanDerWaalsContact N-O 3.13Å; G208-N210 PolarHBondContact O-N 3.37Å
209	S	94.3	Very high	96.4	Very high	15 Å²	15	44.1 Å²	44.1	11%	0.105	23%	0.225	C	C	.	.	S	Bend	trans	73.5	-103.7	-177.6	-51.5	0	0	0	0	112.5	T56 K67 A230	T56-S209 WeakPolarHBondContact OG1-CB 3.47Å; K67-S209 WeakPolarHBondContact O-CB 3.21Å; K67-S209 PolarHBondContact O-OG 3.41Å; S209-A230 PolarHBondContact O-N 2.92Å
210	N	96.5	Very high	96.3	Very high	23 Å²	23	44.9 Å²	44.9	12%	0.123	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	162.8	-171.2	-51.1	-10.6	0	0	0	110	D55 T56 G208 S226 D228	D55-N210 WeakPolarHBondContact CA-O 3.43Å; T56-N210 HydrophobicContact CG2-CB 4Å; T56-N210 PolarHBondContact N-O 2.87Å; T56-N210 WeakPolarHBondContact OG1-CB 3.42Å; T56-N210 PolarHBondContact OG1-N 2.94Å; G208-N210 PolarHBondContact O-N 3.37Å; N210-S226 PolarHBondContact ND2-OG 3.18Å; N210-D228 CarbonylContact C-O 3.55Å; N210-D228 WeakPolarHBondContact CA-O 3.47Å
211	V	97.5	Very high	96.3	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119	171.1	-175.8	0	0	0	0	108.6	I197 I201 I213 S226 Y227 D228	I197-V211 HydrophobicContact CB-CG1 3.97Å; I197-V211 HydrophobicContact CB-CG2 4.32Å; I197-V211 HydrophobicContact CG1-CG1 4.32Å; I197-V211 HydrophobicContact CG2-CB 4.39Å; I197-V211 HydrophobicContact CG2-CG1 3.98Å; I197-V211 HydrophobicContact CG2-CG2 3.89Å; I201-V211 HydrophobicContact CD1-CG2 3.71Å; V211-I213 HydrophobicContact CG1-CD1 4.41Å; V211-I213 HydrophobicContact CG1-CG1 4.05Å; V211-S226 CarbonylContact O-C 3.32Å; V211-Y227 WeakPolarHBondContact O-CB 3.38Å; V211-Y227 PolarHBondContact O-N 3.06Å; V211-D228 HydrophobicContact CB-CB 4.22Å; V211-D228 HydrophobicContact CG2-CB 4.29Å; V211-D228 PolarHBondContact N-O 3.05Å
212	D	98	Very high	96.3	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	136	170.2	-78	-3.3	0	0	0	108.9	G53 A54 T56 I72 Y223 R225 S226	G53-D212 WeakPolarHBondContact CA-O 3.46Å; A54-D212 PolarHBondContact N-O 3.37Å; A54-D212 PolarHBondContact O-N 3.46Å; T56-D212 HydrophobicContact CG2-CB 4.37Å; T56-D212 VanDerWaalsContact CG2-CG 3.44Å; T56-D212 WeakPolarHBondContact CG2-OD1 3.41Å; T56-D212 WeakPolarHBondContact CG2-OD2 3.39Å; I72-D212 HydrophobicContact CD1-CB 4.26Å; D212-Y223 HydrophobicContact CB-CE2 4.21Å; D212-Y223 PolarHBondContact OD2-OH 2.8Å; D212-R225 WeakPolarHBondContact OD1-CA 3.11Å; D212-R225 IonicContact OD2-CZ 3.83Å; D212-R225 IonicContact OD2-NE 3.19Å; D212-R225 PolarHBondContact OD2-NE 3.25Å; D212-R225 IonicContact OD2-NH2 3.54Å; D212-S226 PolarHBondContact OD1-N 3.17Å
213	I	98.2	Very high	96.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134	179.1	-65.7	-168.5	0	0	0	110.3	V51 L52 V190 R194 V211 I215 Y223 I224 Y227	V51-I213 HydrophobicContact CG1-CG2 3.77Å; L52-I213 WeakPolarHBondContact O-CA 3.48Å; V190-I213 HydrophobicContact CG1-CD1 3.84Å; V190-I213 HydrophobicContact CG1-CG2 4.43Å; R194-I213 HydrophobicContact CB-CD1 3.95Å; V211-I213 HydrophobicContact CG1-CD1 4.41Å; V211-I213 HydrophobicContact CG1-CG1 4.05Å; I213-I215 HydrophobicContact CG2-CG1 4.01Å; I213-Y223 WeakPolarHBondContact O-CD2 3.5Å; I213-I224 PolarHBondContact N-O 3.01Å; I213-I224 PolarHBondContact O-N 3.34Å; I213-Y227 HydrophobicContact CB-CG 4.39Å; I213-Y227 HydrophobicContact CD1-CD1 3.56Å; I213-Y227 HydrophobicContact CD1-CD2 4.25Å; I213-Y227 HydrophobicContact CD1-CE1 3.99Å; I213-Y227 HydrophobicContact CD1-CG 3.72Å; I213-Y227 HydrophobicContact CG1-CD1 4.3Å; I213-Y227 HydrophobicContact CG1-CG 4.08Å
214	C	98.4	Very high	96.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.9	173.6	-177.6	0	0	0	0	109.8	V51 L52 I72 T221 T222 Y223	V51-C214 CarbonylContact C-O 3.57Å; V51-C214 WeakPolarHBondContact CA-O 3.25Å; L52-C214 HydrophobicContact CB-CB 4.29Å; L52-C214 PolarHBondContact N-O 3.49Å; L52-C214 PolarHBondContact O-N 2.83Å; I72-C214 HydrophobicContact CD1-CB 4.01Å; I72-C214 HydrophobicContact CG2-CB 4.04Å; C214-T221 VanDerWaalsContact SG-CG2 3.53Å; C214-T222 WeakPolarHBondContact CA-O 3.4Å; C214-Y223 HydrophobicContact CB-CD2 3.93Å
215	I	98.5	Very high	96.3	Very high	11 Å²	11	47.5 Å²	47.5	6%	0.056	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.1	179.7	-56.5	160.8	0	0	0	107.5	F46 V51 Q186 V190 I213 T217 T221 T222 I224	F46-I215 HydrophobicContact CE1-CG2 4.36Å; F46-I215 HydrophobicContact CZ-CG2 4.23Å; V51-I215 HydrophobicContact CG2-CG1 4.37Å; Q186-I215 HydrophobicContact CG-CG2 4.14Å; V190-I215 HydrophobicContact CG2-CD1 3.63Å; V190-I215 HydrophobicContact CG2-CG1 3.82Å; I213-I215 HydrophobicContact CG2-CG1 4.01Å; I215-T217 HydrophobicContact CG2-CG2 4.14Å; I215-T221 CarbonylContact O-C 3.56Å; I215-T221 WeakPolarHBondContact O-CA 3.34Å; I215-T222 PolarHBondContact N-O 3.4Å; I215-T222 PolarHBondContact O-N 3.16Å; I215-I224 HydrophobicContact CD1-CD1 4.47Å
216	I	98.4	Very high	96.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118	-178.6	-50.2	169.5	0	0	0	107.8	G49 V50 L52 N78 Y80 G139 V141 T221	G49-I216 CarbonylContact C-O 3.56Å; G49-I216 WeakPolarHBondContact CA-O 3.18Å; V50-I216 PolarHBondContact N-O 3.16Å; V50-I216 PolarHBondContact O-N 2.78Å; L52-I216 HydrophobicContact CD1-CD1 4.13Å; N78-I216 WeakPolarHBondContact O-CG2 3.26Å; Y80-I216 HydrophobicContact CD2-CD1 4.07Å; Y80-I216 HydrophobicContact CD2-CG1 4.33Å; Y80-I216 HydrophobicContact CG-CD1 4.42Å; G139-I216 WeakPolarHBondContact O-CD1 3.43Å; V141-I216 HydrophobicContact CB-CG2 4.26Å; V141-I216 HydrophobicContact CG2-CB 4.43Å; V141-I216 HydrophobicContact CG2-CG2 3.92Å; V141-I216 WeakPolarHBondContact CG2-O 3.2Å; I216-T221 HydrophobicContact CG1-CG2 3.95Å
217	T	97.8	Very high	96.2	Very high	27 Å²	27	45.7 Å²	45.7	17%	0.166	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	178.3	176.9	66.8	0	0	0	0	110.1	F46 I215 D219 G220	F46-T217 HydrophobicContact CZ-CG2 3.97Å; I215-T217 HydrophobicContact CG2-CG2 4.14Å; T217-D219 VanDerWaalsContact C-N 3.29Å; T217-D219 PolarHBondContact OG1-N 3.19Å; T217-G220 PolarHBondContact N-O 2.74Å; T217-G220 PolarHBondContact OG1-N 3.29Å; T217-G220 PolarHBondContact OG1-O 2.81Å
218	K	95	Very high	96.2	Very high	184 Å²	184	47.9 Å²	47.9	80%	0.8	25%	0.246	S	C	*	.	S	Bend	trans	-66.6	-31.9	173.6	-170.9	-179.5	176.8	-173.6	0	112.8	V141	V141-K218 HydrophobicContact CG1-CB 4.32Å
219	D	94.3	Very high	96	Very high	160 Å²	160	53 Å²	53	86%	0.856	27%	0.269	S	S	*	.	S	Bend	trans	-83.4	-22.8	-175.1	-57.4	-39.3	0	0	0	112.2	T217	T217-D219 VanDerWaalsContact C-N 3.29Å; T217-D219 PolarHBondContact OG1-N 3.19Å
220	G	95	Very high	95.6	Very high	34 Å²	34	53.5 Å²	53.5	35%	0.351	27%	0.274	S	S	.	.			trans	165	-175.1	176.2	0	0	0	0	0	113.2	T217	T217-G220 PolarHBondContact N-O 2.74Å; T217-G220 PolarHBondContact OG1-N 3.29Å; T217-G220 PolarHBondContact OG1-O 2.81Å
221	T	97.3	Very high	95.3	Very high	38 Å²	38	56 Å²	56	23%	0.233	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.2	178.8	-59.3	0	0	0	0	110.7	E77 Y80 C214 I215 I216	E77-T221 PolarHBondContact O-OG1 2.99Å; Y80-T221 HydrophobicContact CD2-CG2 3.87Å; Y80-T221 HydrophobicContact CE2-CG2 3.36Å; C214-T221 VanDerWaalsContact SG-CG2 3.53Å; I215-T221 CarbonylContact O-C 3.56Å; I215-T221 WeakPolarHBondContact O-CA 3.34Å; I216-T221 HydrophobicContact CG1-CG2 3.95Å
222	T	97.7	Very high	94.9	Very high	81 Å²	81	61.7 Å²	61.7	50%	0.497	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.1	172.9	-51.7	0	0	0	0	108.9	C214 I215 I224	C214-T222 WeakPolarHBondContact CA-O 3.4Å; I215-T222 PolarHBondContact N-O 3.4Å; I215-T222 PolarHBondContact O-N 3.16Å; T222-I224 HydrophobicContact CG2-CD1 4.28Å; T222-I224 HydrophobicContact CG2-CG1 3.93Å
223	Y	97.2	Very high	94.6	Very high	72 Å²	72	69.5 Å²	69.5	28%	0.282	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.5	174.8	-178.4	-149.1	0	0	0	110.3	S70 I72 D212 I213 C214 R225	S70-Y223 PolarHBondContact OG-OH 3.16Å; I72-Y223 HydrophobicContact CB-CE2 4.16Å; I72-Y223 HydrophobicContact CD1-CE2 3.99Å; I72-Y223 HydrophobicContact CG1-CE2 4.38Å; D212-Y223 HydrophobicContact CB-CE2 4.21Å; D212-Y223 PolarHBondContact OD2-OH 2.8Å; I213-Y223 WeakPolarHBondContact O-CD2 3.5Å; C214-Y223 HydrophobicContact CB-CD2 3.93Å; Y223-R225 HydrophobicContact CD1-CG 4.33Å; Y223-R225 HydrophobicContact CE1-CG 3.72Å; Y223-R225 HydrophobicContact CE2-CG 4.01Å
224	I	96.5	Very high	94.3	Very high	59 Å²	59	72.4 Å²	72.4	30%	0.303	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	104.5	-178.3	-49.9	174.2	0	0	0	107.8	I213 I215 T222 Y227	I213-I224 PolarHBondContact N-O 3.01Å; I213-I224 PolarHBondContact O-N 3.34Å; I215-I224 HydrophobicContact CD1-CD1 4.47Å; T222-I224 HydrophobicContact CG2-CD1 4.28Å; T222-I224 HydrophobicContact CG2-CG1 3.93Å; I224-Y227 HydrophobicContact CD1-CD2 4.12Å; I224-Y227 HydrophobicContact CG2-CD2 4.18Å
225	R	94.2	Very high	94	Very high	103 Å²	103	82.5 Å²	82.5	39%	0.389	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	135.1	171.1	-66.9	-156.3	76.2	-152.9	0.9	110	N68 D212 Y223	N68-R225 PolarHBondContact O-NH2 2.92Å; N68-R225 PolarHBondContact OD1-NH2 3.35Å; D212-R225 WeakPolarHBondContact OD1-CA 3.11Å; D212-R225 IonicContact OD2-CZ 3.83Å; D212-R225 IonicContact OD2-NE 3.19Å; D212-R225 PolarHBondContact OD2-NE 3.25Å; D212-R225 IonicContact OD2-NH2 3.54Å; Y223-R225 HydrophobicContact CD1-CG 4.33Å; Y223-R225 HydrophobicContact CE1-CG 3.72Å; Y223-R225 HydrophobicContact CE2-CG 4.01Å
226	S	90.6	Very high	93.7	Very high	49 Å²	49	89.4 Å²	89.4	34%	0.343	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.7	55.4	-176	-52.4	0	0	0	0	112.2	N210 V211 D212 D228	N210-S226 PolarHBondContact ND2-OG 3.18Å; V211-S226 CarbonylContact O-C 3.32Å; D212-S226 PolarHBondContact OD1-N 3.17Å; S226-D228 PolarHBondContact O-N 3.2Å
227	Y	95.7	Very high	93.5	Very high	103 Å²	103	94.6 Å²	94.6	40%	0.404	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	-39.2	172	178.4	-91.9	0	0	0	111.6	V190 R194 V211 I213 I224	V190-Y227 HydrophobicContact CG1-CE1 4.25Å; V190-Y227 HydrophobicContact CG1-CE2 3.93Å; R194-Y227 HydrophobicContact CB-CD1 4.43Å; R194-Y227 HydrophobicContact CB-CE1 4.23Å; R194-Y227 HydrophobicContact CG-CD1 4.07Å; R194-Y227 HydrophobicContact CG-CE1 3.95Å; V211-Y227 WeakPolarHBondContact O-CB 3.38Å; V211-Y227 PolarHBondContact O-N 3.06Å; I213-Y227 HydrophobicContact CB-CG 4.39Å; I213-Y227 HydrophobicContact CD1-CD1 3.56Å; I213-Y227 HydrophobicContact CD1-CD2 4.25Å; I213-Y227 HydrophobicContact CD1-CE1 3.99Å; I213-Y227 HydrophobicContact CD1-CG 3.72Å; I213-Y227 HydrophobicContact CG1-CD1 4.3Å; I213-Y227 HydrophobicContact CG1-CG 4.08Å; I224-Y227 HydrophobicContact CD1-CD2 4.12Å; I224-Y227 HydrophobicContact CG2-CD2 4.18Å
228	D	94	Very high	93.2	Very high	46 Å²	46	99 Å²	99	25%	0.246	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	141.8	173.8	-157	-6.4	0	0	0	110.2	R194 N210 V211 S226	R194-D228 HydrophobicContact CG-CB 4.37Å; R194-D228 IonicContact CZ-OD2 2.77Å; R194-D228 IonicContact NE-OD2 2.89Å; R194-D228 PolarHBondContact NE-OD2 2.78Å; R194-D228 IonicContact NH2-OD2 3.19Å; R194-D228 PolarHBondContact NH2-OD2 2.83Å; N210-D228 CarbonylContact C-O 3.55Å; N210-D228 WeakPolarHBondContact CA-O 3.47Å; V211-D228 HydrophobicContact CB-CB 4.22Å; V211-D228 HydrophobicContact CG2-CB 4.29Å; V211-D228 PolarHBondContact N-O 3.05Å; S226-D228 PolarHBondContact O-N 3.2Å
229	E	90.7	Very high	93	Very high	107 Å²	107	98.4 Å²	98.4	50%	0.5	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	96.9	175.4	-174.6	176.7	-177.4	0	0	108.1	N231 V232	E229-N231 VanDerWaalsContact C-N 3.28Å; E229-N231 PolarHBondContact O-N 3.11Å; E229-V232 HydrophobicContact CG-CG2 4.45Å
230	A	86.9	Confident	92.9	Very high	25 Å²	25	97.9 Å²	97.9	21%	0.207	50%	0.502	C	S	.	.	S	Bend	trans	-69.1	-26.8	-173.5	0	0	0	0	0	112.8	I201 F202 S209	I201-A230 HydrophobicContact CD1-CB 4.08Å; I201-A230 HydrophobicContact CG2-CB 3.91Å; F202-A230 HydrophobicContact CE2-CB 4.25Å; F202-A230 HydrophobicContact CZ-CB 4.11Å; S209-A230 PolarHBondContact O-N 2.92Å
231	N	88.8	Confident	92.8	Very high	77 Å²	77	101.7 Å²	101.7	41%	0.412	51%	0.514	S	S	.	.			trans	-140.4	113.2	-176.7	-58.2	98.8	0	0	0	111.8	E229	E229-N231 VanDerWaalsContact C-N 3.28Å; E229-N231 PolarHBondContact O-N 3.11Å
232	V	90.6	Very high	92.5	Very high	120 Å²	120	103.9 Å²	103.9	73%	0.727	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-85.9	135.3	176.1	-175.3	0	0	0	0	110.6	E229 G234	E229-V232 HydrophobicContact CG-CG2 4.45Å; V232-G234 PolarHBondContact O-N 3.05Å
233	K	90.4	Very high	92.4	Very high	163 Å²	163	104.9 Å²	104.9	71%	0.709	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-69.2	130.8	175.5	-172.2	-177	177.6	-176.8	0	110.9
234	G	91.6	Very high	92.2	Very high	62 Å²	62	111.1 Å²	111.1	64%	0.639	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-58.9	149	172.8	0	0	0	0	0	113.3	V232	V232-G234 PolarHBondContact O-N 3.05Å
235	K	92.6	Very high	92	Very high	211 Å²	211	111.7 Å²	111.7	92%	0.917	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-73.7	134.5	175	-64.6	-177.6	-178.5	178.5	0	109.5
236	R	92.6	Very high	92.1	Very high	157 Å²	157	111 Å²	111	59%	0.592	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-69	132.5	172.6	-73.5	176.4	64.8	176.4	0	109.2
237	A	93.1	Very high	92.3	Very high	108 Å²	108	114 Å²	114	89%	0.893	61%	0.613	S	S	*	*	S	Bend	trans	-72.4	-33.3	177.7	0	0	0	0	0	112.5
238	E	92.8	Very high	92.3	Very high	121 Å²	121	114.5 Å²	114.5	57%	0.565	63%	0.631	S	S	*	*	S	Bend	trans	-128.8	153.7	-173.1	-63.7	177.9	160.7	0	0	112.1	Y240	E238-Y240 HydrophobicContact CB-CD1 4.34Å; E238-Y240 HydrophobicContact CB-CE1 3.56Å; E238-Y240 HydrophobicContact CG-CE1 4.48Å; E238-Y240 WeakPolarHBondContact OE2-CE1 3.14Å; E238-Y240 PolarHBondContact OE2-OH 2.99Å
239	K	91.3	Very high	92.4	Very high	170 Å²	170	117.2 Å²	117.2	74%	0.739	65%	0.65	S	S	*	*			trans	-99.5	118.5	175.2	-171.8	178.3	-178.5	-177.5	0	109.3	N241	K239-N241 WeakPolarHBondContact CE-ND2 3.41Å; K239-N241 HydrophobicContact CG-CB 4.16Å
240	Y	90.6	Very high	92.6	Very high	149 Å²	149	120.9 Å²	120.9	58%	0.584	67%	0.671	S	S	*	*			trans	-103.1	40.5	179	-53.7	-43.2	0	0	0	112.1	E238 P242	E238-Y240 HydrophobicContact CB-CD1 4.34Å; E238-Y240 HydrophobicContact CB-CE1 3.56Å; E238-Y240 HydrophobicContact CG-CE1 4.48Å; E238-Y240 WeakPolarHBondContact OE2-CE1 3.14Å; E238-Y240 PolarHBondContact OE2-OH 2.99Å; Y240-P242 WeakPolarHBondContact O-CD 3.13Å
241	N	93	Very high	93	Very high	114 Å²	114	127.2 Å²	127.2	61%	0.61	70%	0.696	S	S	*	*			trans	-94.9	101.3	177.4	-69.5	17.6	0	0	0	108.3	K239	K239-N241 WeakPolarHBondContact CE-ND2 3.41Å; K239-N241 HydrophobicContact CG-CB 4.16Å
242	P	92.6	Very high	93.3	Very high	85 Å²	85	131.3 Å²	131.3	55%	0.552	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-66.8	153.6	176.2	29.7	-35.4	0	0	0	110.7	Y240 T246	Y240-P242 WeakPolarHBondContact O-CD 3.13Å; P242-T246 HydrophobicContact CB-CG2 4.04Å
243	P	93.9	Very high	93.4	Very high	102 Å²	102	129.3 Å²	129.3	66%	0.662	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-63.8	155.8	175.1	27.4	-33.1	0	0	0	111.4	T246	P243-T246 WeakPolarHBondContact O-CB 3.46Å; P243-T246 PolarHBondContact O-N 2.95Å; P243-T246 PolarHBondContact O-OG1 2.79Å
244	E	94	Very high	93.6	Very high	202 Å²	202	125.9 Å²	125.9	94%	0.944	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	141.8	173.9	-169.4	176	178.1	0	0	110.6
245	G	92.8	Very high	93.7	Very high	72 Å²	72	130.4 Å²	130.4	74%	0.742	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	89.5	-3.7	-176.3	0	0	0	0	0	115.4	T247	G245-T247 VanDerWaalsContact C-N 3.3Å; G245-T247 PolarHBondContact O-N 2.9Å
246	T	95.6	Very high	93.4	Very high	87 Å²	87	128.4 Å²	128.4	53%	0.534	69%	0.692	S	S	.	*			trans	-63.7	-33.8	176.9	-57.2	0	0	0	0	112.9	P242 P243	P242-T246 HydrophobicContact CB-CG2 4.04Å; P243-T246 WeakPolarHBondContact O-CB 3.46Å; P243-T246 PolarHBondContact O-N 2.95Å; P243-T246 PolarHBondContact O-OG1 2.79Å
247	T	95.5	Very high	93.3	Very high	114 Å²	114	126.5 Å²	126.5	70%	0.699	70%	0.698	S	S	*	*	S	Bend	trans	-93.5	122.8	-179.9	-51.2	0	0	0	0	110.3	G245 V249	G245-T247 VanDerWaalsContact C-N 3.3Å; G245-T247 PolarHBondContact O-N 2.9Å; T247-V249 PolarHBondContact O-N 3.21Å
248	S	95.3	Very high	92.8	Very high	112 Å²	112	130.6 Å²	130.6	78%	0.783	70%	0.699	S	S	*	*			trans	-66.2	127.2	175.6	56.6	0	0	0	0	111.5
249	V	95	Very high	92.3	Very high	104 Å²	104	132.3 Å²	132.3	63%	0.63	70%	0.704	S	S	*	*			trans	-108.8	120.7	177	-179.6	0	0	0	0	109	T247 H251 K252	T247-V249 PolarHBondContact O-N 3.21Å; V249-H251 WeakPolarHBondContact CG1-O 3.46Å; V249-K252 HydrophobicContact CG1-CB 4.21Å
250	L	96.1	Very high	91.3	Very high	183 Å²	183	131.6 Å²	131.6	96%	0.958	71%	0.709	S	S	*	*	S	Bend	trans	-75	-41.7	-179.8	-68.8	173.4	0	0	0	112.7
251	H	94.6	Very high	90.2	Very high	158 Å²	158	129.8 Å²	129.8	73%	0.731	71%	0.713	S	S	*	*			trans	-145.2	138.2	179.7	-174.4	72.7	0	0	0	109.4	V249	V249-H251 WeakPolarHBondContact CG1-O 3.46Å
252	K	94.9	Very high	88.9	Confident	164 Å²	164	129.8 Å²	129.8	71%	0.713	72%	0.717	S	S	*	*			trans	-131.8	118.8	177.8	-178.2	178.9	179.2	178.1	0	107.9	V249 V254	V249-K252 HydrophobicContact CG1-CB 4.21Å; K252-V254 HydrophobicContact CG-CG2 4.28Å
253	S	94.3	Very high	87.5	Confident	77 Å²	77	131.7 Å²	131.7	54%	0.538	73%	0.727	S	S	.	*			trans	-105	137.5	167.6	64.6	0	0	0	0	109.4
254	V	94	Very high	86	Confident	92 Å²	92	132.3 Å²	132.3	56%	0.558	73%	0.729	S	S	*	*			trans	-122.3	120.2	176.2	-179.3	0	0	0	0	107.1	K252	K252-V254 HydrophobicContact CG-CG2 4.28Å
255	H	92.3	Very high	84.5	Confident	156 Å²	156	133.3 Å²	133.3	72%	0.722	72%	0.724	S	S	*	*			trans	-106.5	113.8	177.1	-65.9	-76.6	0	0	0	108.9
256	H	88.3	Confident	83.1	Confident	170 Å²	170	135.4 Å²	135.4	79%	0.787	72%	0.722	S	S	*	*			trans	-77.9	123	172.1	-68.1	-74.1	0	0	0	108.9
257	V	90.1	Very high	81.6	Confident	117 Å²	117	136.3 Å²	136.3	71%	0.709	73%	0.727	S	S	*	*			trans	-97	107.2	176	-177	0	0	0	0	107.3
258	E	82.4	Confident	79.8	Confident	194 Å²	194	140.5 Å²	140.5	91%	0.907	73%	0.73	S	S	*	*			trans	-77.8	127	168.2	-72.2	-175.6	167	0	0	108.9
259	F	81	Confident	77.8	Confident	156 Å²	156	142.3 Å²	142.3	68%	0.684	73%	0.731	S	S	*	*			trans	-129.7	126.1	171.5	53.6	-89.8	0	0	0	108.7	V261	F259-V261 HydrophobicContact CD2-CG2 3.82Å; F259-V261 HydrophobicContact CE2-CG2 3.77Å; F259-V261 PolarHBondContact O-N 3.14Å
260	D	70.6	Confident	76.1	Confident	156 Å²	156	143.6 Å²	143.6	83%	0.834	73%	0.733	S	S	*	*			trans	-73.9	116.5	169.5	-77.7	-33.8	0	0	0	108.6	V262	D260-V262 VanDerWaalsContact C-N 3.28Å; D260-V262 HydrophobicContact CB-CG2 4.49Å; D260-V262 PolarHBondContact O-N 3.49Å
261	V	68.7	Low	74	Confident	110 Å²	110	140 Å²	140	67%	0.667	72%	0.72	S	S	*	*			trans	-73.9	86.8	173.9	-177.3	0	0	0	0	108.4	F259 T263	F259-V261 HydrophobicContact CD2-CG2 3.82Å; F259-V261 HydrophobicContact CE2-CG2 3.77Å; F259-V261 PolarHBondContact O-N 3.14Å; V261-T263 PolarHBondContact O-N 3.16Å; V261-T263 VanDerWaalsContact O-N 3.09Å
262	V	65.5	Low	71.9	Confident	115 Å²	115	137.3 Å²	137.3	70%	0.697	73%	0.726	S	S	*	*			trans	-76.1	96.4	170.7	-174.3	0	0	0	0	108	D260 T264	D260-V262 VanDerWaalsContact C-N 3.28Å; D260-V262 HydrophobicContact CB-CG2 4.49Å; D260-V262 PolarHBondContact O-N 3.49Å; V262-T264 VanDerWaalsContact C-N 3.34Å; V262-T264 PolarHBondContact O-N 3.31Å
263	T	63	Low	69.8	Low	125 Å²	125	137.2 Å²	137.2	77%	0.767	73%	0.728	S	S	*	*			trans	-71.7	89.1	173.7	-43	0	0	0	0	109.2	V261 R265	V261-T263 PolarHBondContact O-N 3.16Å; V261-T263 VanDerWaalsContact O-N 3.09Å; T263-R265 PolarHBondContact O-N 2.83Å
264	T	62.1	Low	67.4	Low	114 Å²	114	138.7 Å²	138.7	70%	0.699	74%	0.738	S	S	*	*			trans	-75.4	103.6	173.1	-37.3	0	0	0	0	109.2	V262 V266	V262-T264 VanDerWaalsContact C-N 3.34Å; V262-T264 PolarHBondContact O-N 3.31Å; T264-V266 PolarHBondContact O-N 3.44Å
265	R	63	Low	65.1	Low	223 Å²	223	140.4 Å²	140.4	84%	0.842	75%	0.748	S	S	*	*			trans	-73.6	106.1	171.3	-163.6	-179.4	-171.6	-173.2	2.2	108.2	T263 V267	T263-R265 PolarHBondContact O-N 2.83Å; R265-V267 PolarHBondContact O-N 3.18Å
266	V	62.5	Low	62.9	Low	116 Å²	116	141.4 Å²	141.4	70%	0.703	75%	0.753	S	S	*	*			trans	-69.8	97.2	172.8	-178	0	0	0	0	108.2	T264 R268	T264-V266 PolarHBondContact O-N 3.44Å; V266-R268 HydrophobicContact CG1-CG 4.15Å; V266-R268 PolarHBondContact O-N 2.99Å
267	V	64.3	Low	60.9	Low	106 Å²	106	138.7 Å²	138.7	64%	0.642	75%	0.749	S	S	*	*			trans	-77.3	105.4	165.5	-177.4	0	0	0	0	106.1	R265 D269	R265-V267 PolarHBondContact O-N 3.18Å; V267-D269 PolarHBondContact O-N 3.2Å
268	R	57.5	Low	58.5	Low	203 Å²	203	141.6 Å²	141.6	77%	0.766	76%	0.757	S	S	*	*			trans	-77.9	113.5	165.8	-70.6	-177.8	179.7	168	-0.1	106.4	V266 I270	V266-R268 HydrophobicContact CG1-CG 4.15Å; V266-R268 PolarHBondContact O-N 2.99Å; R268-I270 HydrophobicContact CB-CG1 4.23Å; R268-I270 PolarHBondContact O-N 2.94Å
269	D	54.6	Low	56.5	Low	150 Å²	150	139.5 Å²	139.5	80%	0.802	75%	0.752	S	S	*	*			trans	-66.4	85.4	164.1	-70.6	-30.4	0	0	0	107.6	V267 P271	V267-D269 PolarHBondContact O-N 3.2Å; D269-P271 WeakPolarHBondContact O-CD 3.35Å
270	I	59.4	Low	54.8	Low	131 Å²	131	140.1 Å²	140.1	67%	0.672	76%	0.761	S	S	*	*			trans	-74.9	117.9	165.3	-56.4	172	0	0	0	104.5	R268 A272	R268-I270 HydrophobicContact CB-CG1 4.23Å; R268-I270 PolarHBondContact O-N 2.94Å; I270-A272 PolarHBondContact O-N 3.17Å
271	P	51.3	Low	53.8	Low	106 Å²	106	141.3 Å²	141.3	69%	0.688	78%	0.782	S	S	*	*			trans	-54.4	127.4	172.2	-17.9	28.9	0	0	0	107.6	D269 H273	D269-P271 WeakPolarHBondContact O-CD 3.35Å; P271-H273 VanDerWaalsContact C-N 3.33Å; P271-H273 PolarHBondContact O-N 2.72Å
272	A	49.5	Very low	53	Low	102 Å²	102	142.9 Å²	142.9	84%	0.843	79%	0.788	S	S	*	*			trans	-57.9	100.3	176	0	0	0	0	0	108.3	I270 S274	I270-A272 PolarHBondContact O-N 3.17Å; A272-S274 PolarHBondContact O-N 3.36Å
273	H	51.6	Low	52.4	Low	163 Å²	163	144.4 Å²	144.4	76%	0.755	79%	0.793	S	S	*	*			trans	-59	122.8	159	-84	-73.9	0	0	0	105.9	P271 V275	P271-H273 VanDerWaalsContact C-N 3.33Å; P271-H273 PolarHBondContact O-N 2.72Å; H273-V275 PolarHBondContact O-N 3.09Å
274	S	43.5	Very low	51.8	Low	107 Å²	107	145.4 Å²	145.4	75%	0.748	79%	0.794	S	S	*	*			trans	-44.1	105.1	169.1	46.2	0	0	0	0	108.9	A272 E276	A272-S274 PolarHBondContact O-N 3.36Å; S274-E276 PolarHBondContact O-N 2.9Å
275	V	47.1	Very low	51.2	Low	129 Å²	129	147.3 Å²	147.3	78%	0.782	80%	0.8	S	S	*	*			trans	-69.4	93.7	165.1	-179.1	0	0	0	0	104.7	H273 T277	H273-V275 PolarHBondContact O-N 3.09Å; V275-T277 PolarHBondContact O-N 3.4Å
276	E	45.6	Very low	50.4	Low	176 Å²	176	142.6 Å²	142.6	82%	0.822	80%	0.797	S	S	*	*			trans	-59.2	107.2	157.1	-80.3	-176.6	157.8	0	0	106.1	S274 M278	S274-E276 PolarHBondContact O-N 2.9Å; E276-M278 VanDerWaalsContact C-N 3.34Å; E276-M278 PolarHBondContact O-N 2.68Å
277	T	44.9	Very low	49.6	Very low	113 Å²	113	144.3 Å²	144.3	69%	0.693	80%	0.803	S	S	*	*			trans	-62.7	99.5	164.9	45.3	0	0	0	0	107.1	V275 D279	V275-T277 PolarHBondContact O-N 3.4Å; T277-D279 PolarHBondContact O-N 3.34Å; T277-D279 VanDerWaalsContact O-N 3.16Å
278	M	40.8	Very low	48.6	Very low	179 Å²	179	147.1 Å²	147.1	88%	0.882	82%	0.815	S	S	*	*			trans	-72.1	100	159.1	-123	-177.7	171	0	0	106.3	E276 L280	E276-M278 VanDerWaalsContact C-N 3.34Å; E276-M278 PolarHBondContact O-N 2.68Å; M278-L280 PolarHBondContact O-N 3.44Å; M278-L280 VanDerWaalsContact O-N 3.14Å
279	D	40.9	Very low	47.9	Very low	149 Å²	149	142.8 Å²	142.8	80%	0.797	82%	0.819	S	S	*	*			trans	-58.9	111.8	166.1	-79.2	-29.8	0	0	0	108.1	T277	T277-D279 PolarHBondContact O-N 3.34Å; T277-D279 VanDerWaalsContact O-N 3.16Å
280	L	44.4	Very low	47.3	Very low	169 Å²	169	142.2 Å²	142.2	89%	0.885	82%	0.82	S	S	*	*			trans	-90.1	95.8	159.7	-73.2	169	0	0	0	106.6	M278	M278-L280 PolarHBondContact O-N 3.44Å; M278-L280 VanDerWaalsContact O-N 3.14Å
281	S	49.4	Very low	46.3	Very low	182 Å²	182	143.2 Å²	143.2	100%	1.273	83%	0.833	S	S	*	*			trans	-53.3	0	156.4	57.4	0	0	0	0	111.9

Retrieved 281 of 281 residues in 56 ms (Link to these results)

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