A0A3Q0KFB6_SCHMA Loading...

Delta-aminolevulinic acid dehydratase

Catalyzes an early step in the biosynthesis of tetrapyrroles. Binds two molecules of 5-aminolevulinate per subunit, each at a distinct site, and catalyzes their condensation to form porphobilinogen.

AlphaFold DB (A0A3Q0KFB9), UniProt , Accession A0A3Q0KFB6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 333 aa.

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(Predicted Aligned Error values between residue pairs)

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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	48	Very low	78	Confident	244 Å²	244	121.3 Å²	121.3	100%	1.202	66%	0.661	S	S	*	*				0	110.8	0	-79.5	178	-169.6	0	0	107.1
2	N	51.6	Low	79.4	Confident	159 Å²	159	117.6 Å²	117.6	85%	0.85	65%	0.65	S	S	*	*			trans	-83.5	115.7	-172.7	-80	-18.9	0	0	0	110
3	S	62.9	Low	80.5	Confident	83 Å²	83	113.4 Å²	113.4	58%	0.58	63%	0.626	S	S	*	*			trans	-131.2	77.9	149.1	64.3	0	0	0	0	109.3	H5	S3-H5 VanDerWaalsContact CB-CD2 3.46Å; S3-H5 WeakPolarHBondContact CB-CD2 3.42Å; S3-H5 VanDerWaalsContact CB-NE2 3.27Å; S3-H5 WeakPolarHBondContact CB-NE2 3.35Å; S3-H5 PolarHBondContact O-N 3.37Å
4	T	64.4	Low	81.3	Confident	137 Å²	137	112.1 Å²	112.1	84%	0.84	62%	0.617	S	S	*	*			trans	-72.7	80	164	49.6	0	0	0	0	107.8
5	H	79	Confident	82	Confident	139 Å²	139	110.1 Å²	110.1	64%	0.644	61%	0.605	S	S	*	*			trans	-79.8	137.2	179	-72.3	-58.8	0	0	0	111.1	S3 L7	S3-H5 VanDerWaalsContact CB-CD2 3.46Å; S3-H5 WeakPolarHBondContact CB-CD2 3.42Å; S3-H5 VanDerWaalsContact CB-NE2 3.27Å; S3-H5 WeakPolarHBondContact CB-NE2 3.35Å; S3-H5 PolarHBondContact O-N 3.37Å; H5-L7 PolarHBondContact O-N 2.96Å
6	P	86.2	Confident	82.8	Confident	104 Å²	104	107 Å²	107	68%	0.675	58%	0.584	S	S	*	*			trans	-67.3	128.5	175.1	27.6	-33.3	0	0	0	110.8
7	L	92.6	Very high	83.5	Confident	116 Å²	116	107.5 Å²	107.5	61%	0.607	58%	0.575	S	S	*	*			trans	-97.8	-14.1	178	-61.2	179.7	0	0	0	113.5	H5 S9 S10 Y11	H5-L7 PolarHBondContact O-N 2.96Å; L7-S9 PolarHBondContact O-N 2.93Å; L7-S10 PolarHBondContact O-N 3.41Å; L7-S10 PolarHBondContact O-OG 3.38Å; L7-Y11 HydrophobicContact CB-CE1 4.17Å; L7-Y11 WeakPolarHBondContact O-CD1 3.37Å; L7-Y11 WeakPolarHBondContact O-CE1 3.48Å
8	H	93.5	Very high	83.9	Confident	141 Å²	141	104.6 Å²	104.6	65%	0.653	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-55.6	-31.3	-175.7	-66.1	173.6	0	0	0	113.3	S10 Y11 S12	H8-S10 PolarHBondContact O-N 3.35Å; H8-Y11 AromaticContact CD2-CZ 3.92Å; H8-Y11 PolarHBondContact CD2-OH 3.49Å; H8-Y11 PolarHBondContact O-N 2.92Å; H8-S12 WeakPolarHBondContact O-CB 3.41Å; H8-S12 PolarHBondContact O-N 3.24Å; H8-S12 VanDerWaalsContact O-N 3.17Å
9	S	93.4	Very high	84.4	Confident	83 Å²	83	107.9 Å²	107.9	58%	0.58	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-64.9	-22.1	178.5	55.1	0	0	0	0	113.6	L7 F16	L7-S9 PolarHBondContact O-N 2.93Å; S9-F16 WeakPolarHBondContact O-CD2 3.49Å; S9-F16 WeakPolarHBondContact O-CE2 3.31Å
10	S	92.6	Very high	84.9	Confident	43 Å²	43	108.2 Å²	108.2	30%	0.301	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-87.4	-2.3	-176.3	74.3	0	0	0	0	114.5	L7 H8 Q20	L7-S10 PolarHBondContact O-N 3.41Å; L7-S10 PolarHBondContact O-OG 3.38Å; H8-S10 PolarHBondContact O-N 3.35Å; S10-Q20 PolarHBondContact O-NE2 3.29Å
11	Y	93.9	Very high	85.3	Confident	85 Å²	85	104.7 Å²	104.7	33%	0.333	54%	0.543	S	S	.	.	S	Bend	trans	-148.2	22.5	177.1	57.3	-93.9	0	0	0	113	L7 H8 N13 R17	L7-Y11 HydrophobicContact CB-CE1 4.17Å; L7-Y11 WeakPolarHBondContact O-CD1 3.37Å; L7-Y11 WeakPolarHBondContact O-CE1 3.48Å; H8-Y11 AromaticContact CD2-CZ 3.92Å; H8-Y11 PolarHBondContact CD2-OH 3.49Å; H8-Y11 PolarHBondContact O-N 2.92Å; Y11-N13 VanDerWaalsContact C-N 3.28Å; Y11-N13 PolarHBondContact O-N 3.22Å; Y11-R17 WeakPolarHBondContact O-CG 3.49Å; Y11-R17 VanDerWaalsContact O-CZ 3.23Å; Y11-R17 PolarHBondContact O-NE 3Å; Y11-R17 VanDerWaalsContact O-NE 3.09Å; Y11-R17 PolarHBondContact O-NH2 2.85Å
12	S	94.5	Very high	87.2	Confident	77 Å²	77	95.5 Å²	95.5	54%	0.538	51%	0.506	S	S	.	.	S	Bend	trans	-69.3	-20.3	-175.1	56.5	0	0	0	0	114.5	H8 F16	H8-S12 WeakPolarHBondContact O-CB 3.41Å; H8-S12 PolarHBondContact O-N 3.24Å; H8-S12 VanDerWaalsContact O-N 3.17Å; S12-F16 WeakPolarHBondContact OG-CD2 3.37Å
13	N	93.8	Very high	89	Confident	63 Å²	63	94 Å²	94	34%	0.337	50%	0.498	S	S	.	.	S	Bend	trans	-131.2	169.7	175.4	69.3	66.3	0	0	0	111.2	Y11 L15 F16 R17	Y11-N13 VanDerWaalsContact C-N 3.28Å; Y11-N13 PolarHBondContact O-N 3.22Å; N13-L15 VanDerWaalsContact C-N 3.35Å; N13-L15 PolarHBondContact O-N 3.09Å; N13-L15 WeakPolarHBondContact OD1-CA 3.43Å; N13-L15 WeakPolarHBondContact OD1-CB 3.31Å; N13-L15 PolarHBondContact OD1-N 2.97Å; N13-F16 WeakPolarHBondContact ND2-CD1 3.34Å; N13-F16 WeakPolarHBondContact ND2-CD2 3.1Å; N13-F16 WeakPolarHBondContact ND2-CE1 3.48Å; N13-F16 WeakPolarHBondContact ND2-CE2 3.44Å; N13-F16 WeakPolarHBondContact ND2-CG 3.21Å; N13-F16 VanDerWaalsContact ND2-CZ 3.32Å; N13-F16 WeakPolarHBondContact ND2-CZ 2.99Å; N13-F16 PolarHBondContact O-N 3.32Å; N13-F16 PolarHBondContact OD1-N 3.37Å; N13-R17 PolarHBondContact O-N 3.09Å; N13-R17 VanDerWaalsContact O-N 3.08Å
14	L	91.3	Very high	90.5	Very high	96 Å²	96	94 Å²	94	50%	0.503	49%	0.486	S	S	.	.	H	α-helix	trans	-59.1	-43.1	-175.9	-178.3	62.5	0	0	0	112.8	F16 R17 Q18	L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 3.47Å; L14-R17 PolarHBondContact O-N 3.46Å; L14-Q18 WeakPolarHBondContact O-CG 3.19Å; L14-Q18 PolarHBondContact O-N 3.43Å
15	L	92.8	Very high	91.7	Very high	81 Å²	81	92 Å²	92	42%	0.424	47%	0.465	S	S	.	.	H	α-helix	trans	-64.7	-40.2	-179.8	-178.4	61.5	0	0	0	111.1	N13 R17 Q18 W19	N13-L15 VanDerWaalsContact C-N 3.35Å; N13-L15 PolarHBondContact O-N 3.09Å; N13-L15 WeakPolarHBondContact OD1-CA 3.43Å; N13-L15 WeakPolarHBondContact OD1-CB 3.31Å; N13-L15 PolarHBondContact OD1-N 2.97Å; L15-R17 PolarHBondContact O-N 3.37Å; L15-Q18 CarbonylContact O-C 3.49Å; L15-Q18 WeakPolarHBondContact O-CB 3.2Å; L15-Q18 PolarHBondContact O-N 3.09Å; L15-Q18 VanDerWaalsContact O-N 3.16Å; L15-W19 HydrophobicContact CD1-CZ2 4.38Å; L15-W19 HydrophobicContact CD2-CH2 4.26Å; L15-W19 HydrophobicContact CD2-CZ2 3.6Å; L15-W19 HydrophobicContact CG-CD2 4.27Å; L15-W19 HydrophobicContact CG-CZ2 3.84Å; L15-W19 PolarHBondContact O-N 3.4Å
16	F	94.9	Very high	92.5	Very high	61 Å²	61	85.7 Å²	85.7	27%	0.268	44%	0.437	S	S	.	.	H	α-helix	trans	-64.3	-41.5	177.4	-67.9	-0.6	0	0	0	111.5	S9 S12 N13 L14 Q18 W19 Q20	S9-F16 WeakPolarHBondContact O-CD2 3.49Å; S9-F16 WeakPolarHBondContact O-CE2 3.31Å; S12-F16 WeakPolarHBondContact OG-CD2 3.37Å; N13-F16 WeakPolarHBondContact ND2-CD1 3.34Å; N13-F16 WeakPolarHBondContact ND2-CD2 3.1Å; N13-F16 WeakPolarHBondContact ND2-CE1 3.48Å; N13-F16 WeakPolarHBondContact ND2-CE2 3.44Å; N13-F16 WeakPolarHBondContact ND2-CG 3.21Å; N13-F16 VanDerWaalsContact ND2-CZ 3.32Å; N13-F16 WeakPolarHBondContact ND2-CZ 2.99Å; N13-F16 PolarHBondContact O-N 3.32Å; N13-F16 PolarHBondContact OD1-N 3.37Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 3.47Å; F16-Q18 VanDerWaalsContact C-N 3.31Å; F16-Q18 PolarHBondContact O-N 2.94Å; F16-W19 AromaticContact CD1-CE3 3.82Å; F16-W19 HydrophobicContact CD1-CE3 3.82Å; F16-W19 HydrophobicContact CD1-CH2 4.45Å; F16-W19 AromaticContact CD1-CZ3 3.77Å; F16-W19 HydrophobicContact CD1-CZ3 3.77Å; F16-W19 HydrophobicContact CE1-CE3 4.24Å; F16-W19 HydrophobicContact CE1-CH2 4.21Å; F16-W19 AromaticContact CE1-CZ3 3.7Å; F16-W19 HydrophobicContact CE1-CZ3 3.7Å; F16-W19 PolarHBondContact O-N 3.35Å; F16-Q20 WeakPolarHBondContact O-CG 3.32Å; F16-Q20 PolarHBondContact O-N 2.68Å
17	R	93.4	Very high	92.9	Very high	115 Å²	115	82.8 Å²	82.8	43%	0.434	42%	0.419	S	S	.	.	H	α-helix	trans	-59.1	-43.1	171.6	-68.3	174.2	-168.5	-85.9	-2.6	111.7	Y11 N13 L14 L15 W19 Q20 T21	Y11-R17 WeakPolarHBondContact O-CG 3.49Å; Y11-R17 VanDerWaalsContact O-CZ 3.23Å; Y11-R17 PolarHBondContact O-NE 3Å; Y11-R17 VanDerWaalsContact O-NE 3.09Å; Y11-R17 PolarHBondContact O-NH2 2.85Å; N13-R17 PolarHBondContact O-N 3.09Å; N13-R17 VanDerWaalsContact O-N 3.08Å; L14-R17 PolarHBondContact O-N 3.46Å; L15-R17 PolarHBondContact O-N 3.37Å; R17-W19 PolarHBondContact O-N 3.46Å; R17-Q20 PolarHBondContact O-N 3.44Å; R17-T21 PolarHBondContact O-N 3.44Å; R17-T21 PolarHBondContact O-OG1 3.28Å; R17-T21 VanDerWaalsContact O-OG1 3.1Å
18	Q	91.2	Very high	93.1	Very high	55 Å²	55	77.7 Å²	77.7	26%	0.257	39%	0.394	S	S	.	.	H	α-helix	trans	-64.5	-37.2	177	-71.7	175.3	-7.3	0	0	112.9	L14 L15 F16 Q20 T21 A22	L14-Q18 WeakPolarHBondContact O-CG 3.19Å; L14-Q18 PolarHBondContact O-N 3.43Å; L15-Q18 CarbonylContact O-C 3.49Å; L15-Q18 WeakPolarHBondContact O-CB 3.2Å; L15-Q18 PolarHBondContact O-N 3.09Å; L15-Q18 VanDerWaalsContact O-N 3.16Å; F16-Q18 VanDerWaalsContact C-N 3.31Å; F16-Q18 PolarHBondContact O-N 2.94Å; Q18-Q20 VanDerWaalsContact C-N 3.32Å; Q18-Q20 PolarHBondContact O-N 3.17Å; Q18-T21 CarbonylContact O-C 3.56Å; Q18-T21 PolarHBondContact O-N 3.26Å; Q18-T21 VanDerWaalsContact O-N 3.16Å; Q18-T21 PolarHBondContact O-OG1 2.96Å; Q18-A22 WeakPolarHBondContact O-CA 3.39Å; Q18-A22 WeakPolarHBondContact O-CB 3.4Å; Q18-A22 PolarHBondContact O-N 2.88Å
19	W	94.1	Very high	93.3	Very high	169 Å²	169	76.2 Å²	76.2	64%	0.64	39%	0.387	S	S	*	.	H	α-helix	trans	-64.4	-37	175.6	-70.2	-9.8	0	0	0	112.2	L15 F16 R17 T21	L15-W19 HydrophobicContact CD1-CZ2 4.38Å; L15-W19 HydrophobicContact CD2-CH2 4.26Å; L15-W19 HydrophobicContact CD2-CZ2 3.6Å; L15-W19 HydrophobicContact CG-CD2 4.27Å; L15-W19 HydrophobicContact CG-CZ2 3.84Å; L15-W19 PolarHBondContact O-N 3.4Å; F16-W19 AromaticContact CD1-CE3 3.82Å; F16-W19 HydrophobicContact CD1-CE3 3.82Å; F16-W19 HydrophobicContact CD1-CH2 4.45Å; F16-W19 AromaticContact CD1-CZ3 3.77Å; F16-W19 HydrophobicContact CD1-CZ3 3.77Å; F16-W19 HydrophobicContact CE1-CE3 4.24Å; F16-W19 HydrophobicContact CE1-CH2 4.21Å; F16-W19 AromaticContact CE1-CZ3 3.7Å; F16-W19 HydrophobicContact CE1-CZ3 3.7Å; F16-W19 PolarHBondContact O-N 3.35Å; R17-W19 PolarHBondContact O-N 3.46Å; W19-T21 PolarHBondContact O-N 2.63Å
20	Q	94.1	Very high	93.5	Very high	112 Å²	112	73.1 Å²	73.1	52%	0.523	36%	0.364	S	S	.	.	H	α-helix	trans	-67.7	-21.1	174.8	-61.3	-62.7	-14.3	0	0	113	S10 F16 R17 Q18	S10-Q20 PolarHBondContact O-NE2 3.29Å; F16-Q20 WeakPolarHBondContact O-CG 3.32Å; F16-Q20 PolarHBondContact O-N 2.68Å; R17-Q20 PolarHBondContact O-N 3.44Å; Q18-Q20 VanDerWaalsContact C-N 3.32Å; Q18-Q20 PolarHBondContact O-N 3.17Å
21	T	93.2	Very high	93.8	Very high	35 Å²	35	71.1 Å²	71.1	22%	0.215	35%	0.35	C	S	.	.	H	α-helix	trans	-119	2.5	-171.9	61.8	0	0	0	0	114.6	R17 Q18 W19 N23 Y24 C332	R17-T21 PolarHBondContact O-N 3.44Å; R17-T21 PolarHBondContact O-OG1 3.28Å; R17-T21 VanDerWaalsContact O-OG1 3.1Å; Q18-T21 CarbonylContact O-C 3.56Å; Q18-T21 PolarHBondContact O-N 3.26Å; Q18-T21 VanDerWaalsContact O-N 3.16Å; Q18-T21 PolarHBondContact O-OG1 2.96Å; W19-T21 PolarHBondContact O-N 2.63Å; T21-N23 PolarHBondContact O-N 3.06Å; T21-Y24 PolarHBondContact O-N 3.08Å; T21-C332 HydrophobicContact CG2-CB 4.04Å; T21-C332 WeakPolarHBondContact OG1-CB 2.99Å
22	A	88.4	Confident	94	Very high	52 Å²	52	67.2 Å²	67.2	43%	0.43	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-53.3	-36.4	-170.2	0	0	0	0	0	114.1	Q18 Y24	Q18-A22 WeakPolarHBondContact O-CA 3.39Å; Q18-A22 WeakPolarHBondContact O-CB 3.4Å; Q18-A22 PolarHBondContact O-N 2.88Å; A22-Y24 VanDerWaalsContact C-N 3.25Å; A22-Y24 PolarHBondContact O-N 3.49Å
23	N	89.6	Confident	94.3	Very high	126 Å²	126	63.8 Å²	63.8	67%	0.674	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-75.7	-9.2	-178.8	-67	-30	0	0	0	114.3	T21 R308	T21-N23 PolarHBondContact O-N 3.06Å; N23-R308 PolarHBondContact O-NH2 2.88Å
24	Y	92.7	Very high	94.5	Very high	83 Å²	83	60.8 Å²	60.8	33%	0.325	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-117.8	10	-169.7	-45.5	-57.2	0	0	0	113.6	T21 A22 R308 R309	T21-Y24 PolarHBondContact O-N 3.08Å; A22-Y24 VanDerWaalsContact C-N 3.25Å; A22-Y24 PolarHBondContact O-N 3.49Å; Y24-R308 WeakPolarHBondContact O-CB 3.5Å; Y24-R309 HydrophobicContact CD1-CB 4.41Å; Y24-R309 HydrophobicContact CG-CB 4.34Å
25	K	91.6	Very high	94.8	Very high	95 Å²	95	56.3 Å²	56.3	41%	0.413	27%	0.271	S	S	.	.			trans	-57.9	147.6	170	-66.3	-170.6	-177.7	-172.9	0	110.7	R308	K25-R308 PolarHBondContact O-NE 2.96Å
26	V	94.8	Very high	95.1	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.042	25%	0.251	C	S	.	.			trans	-104.6	136.3	178.7	-176	0	0	0	0	108.1	L31 M304 R308 S331	V26-L31 HydrophobicContact CG1-CD2 4.46Å; V26-M304 HydrophobicContact CB-CB 4.41Å; V26-M304 HydrophobicContact CG1-CB 4.07Å; V26-M304 HydrophobicContact CG1-CG 4.49Å; V26-M304 HydrophobicContact CG2-CB 3.58Å; V26-R308 HydrophobicContact CG2-CG 3.76Å; V26-S331 PolarHBondContact N-OG 2.98Å; V26-S331 VanDerWaalsContact N-OG 3.11Å
27	S	95.4	Very high	95.2	Very high	43 Å²	43	49.7 Å²	49.7	30%	0.301	24%	0.239	S	C	.	.			trans	-130.6	169.6	171.7	75.4	0	0	0	0	110.9	E29 N30	S27-E29 WeakPolarHBondContact CB-OE2 3.15Å; S27-E29 PolarHBondContact O-N 3.3Å; S27-E29 PolarHBondContact OG-OE2 3.23Å; S27-N30 PolarHBondContact N-OD1 3.46Å; S27-N30 WeakPolarHBondContact O-CB 3.45Å; S27-N30 PolarHBondContact O-N 3.39Å
28	A	96.7	Very high	95.3	Very high	10 Å²	10	45 Å²	45	8%	0.083	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-60.2	-31	179	0	0	0	0	0	112.2	N30 L31 Q72 L324	A28-N30 PolarHBondContact O-N 2.97Å; A28-L31 PolarHBondContact O-N 2.98Å; A28-Q72 HydrophobicContact CB-CB 4.18Å; A28-L324 HydrophobicContact CB-CD2 3.74Å
29	E	97	Very high	95.4	Very high	109 Å²	109	44.7 Å²	44.7	51%	0.509	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-65.2	-21.8	176.7	-61.9	73	-159.4	0	0	113.1	S27 L31 K74	S27-E29 WeakPolarHBondContact CB-OE2 3.15Å; S27-E29 PolarHBondContact O-N 3.3Å; S27-E29 PolarHBondContact OG-OE2 3.23Å; E29-L31 VanDerWaalsContact C-N 3.27Å; E29-K74 HydrophobicContact CG-CG 4.43Å
30	N	98	Very high	95.5	Very high	19 Å²	19	40.1 Å²	40.1	10%	0.102	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-76.5	-17	174.3	-58.9	132.6	0	0	0	112.2	S27 A28 S313 I314 I315	S27-N30 PolarHBondContact N-OD1 3.46Å; S27-N30 WeakPolarHBondContact O-CB 3.45Å; S27-N30 PolarHBondContact O-N 3.39Å; A28-N30 PolarHBondContact O-N 2.97Å; N30-S313 PolarHBondContact ND2-O 3.39Å; N30-I314 CarbonylContact O-C 3.36Å; N30-I315 PolarHBondContact O-N 3.33Å
31	L	98.7	Very high	95.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133.8	-167.9	-54.5	179.7	0	0	0	112.3	V26 A28 E29 S75 M304 I315 T317 T320 L323 L324 L328	V26-L31 HydrophobicContact CG1-CD2 4.46Å; A28-L31 PolarHBondContact O-N 2.98Å; E29-L31 VanDerWaalsContact C-N 3.27Å; L31-S75 PolarHBondContact O-OG 3.33Å; L31-M304 HydrophobicContact CD2-SD 4.23Å; L31-I315 HydrophobicContact CD2-CB 4.45Å; L31-T317 HydrophobicContact CD2-CG2 4.24Å; L31-T320 HydrophobicContact CB-CG2 3.92Å; L31-T320 HydrophobicContact CD1-CG2 4.23Å; L31-L323 HydrophobicContact CD1-CB 3.81Å; L31-L323 HydrophobicContact CD1-CD1 4.04Å; L31-L323 HydrophobicContact CD2-CD1 3.94Å; L31-L324 HydrophobicContact CD1-CD2 4.19Å; L31-L328 HydrophobicContact CD1-CD1 4.25Å
32	V	98.9	Very high	95.7	Very high	3 Å²	3	40 Å²	40	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.8	168.4	177.7	0	0	0	0	108.1	P34 S75 L77 I118 I314 I315 I316 T317 T320	V32-P34 WeakPolarHBondContact O-CD 3.5Å; V32-S75 VanDerWaalsContact CA-OG 3.31Å; V32-S75 WeakPolarHBondContact CA-OG 3.1Å; V32-S75 WeakPolarHBondContact CG2-OG 3.42Å; V32-L77 HydrophobicContact CG1-CB 3.77Å; V32-I118 HydrophobicContact CG1-CD1 3.86Å; V32-I118 HydrophobicContact CG2-CD1 3.98Å; V32-I314 HydrophobicContact CG2-CG2 3.46Å; V32-I314 VanDerWaalsContact CG2-CG2 3.46Å; V32-I315 PolarHBondContact N-O 3.4Å; V32-I316 HydrophobicContact CB-CB 4.32Å; V32-I316 HydrophobicContact CB-CG1 3.85Å; V32-I316 HydrophobicContact CB-CG2 4.44Å; V32-I316 HydrophobicContact CG1-CG1 4.13Å; V32-I316 HydrophobicContact CG1-CG2 4.31Å; V32-I316 HydrophobicContact CG2-CG1 4.11Å; V32-T317 PolarHBondContact O-N 3Å; V32-T317 VanDerWaalsContact O-N 3.11Å; V32-T320 PolarHBondContact O-OG1 2.9Å
33	Y	98.8	Very high	96.1	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.02	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	115.7	178.3	-174.9	-144.8	0	0	0	112.7	I35 Q53 F64 L65 L68 L73 S75 V76 L77 T320 P321	Y33-I35 HydrophobicContact CD1-CD1 4.39Å; Y33-I35 HydrophobicContact CD1-CG1 4.03Å; Y33-I35 HydrophobicContact CE1-CG1 4.2Å; Y33-Q53 VanDerWaalsContact CE2-OE1 3.27Å; Y33-Q53 PolarHBondContact OH-OE1 3.38Å; Y33-F64 AromaticContact CE1-CE1 3.77Å; Y33-F64 HydrophobicContact CE1-CE1 3.77Å; Y33-F64 HydrophobicContact CE1-CZ 4.05Å; Y33-L65 HydrophobicContact CD1-CD2 4.38Å; Y33-L68 HydrophobicContact CD1-CD1 3.94Å; Y33-L68 HydrophobicContact CE1-CD1 3.75Å; Y33-L73 HydrophobicContact CD1-CD2 4.41Å; Y33-S75 PolarHBondContact N-O 2.97Å; Y33-V76 CarbonylContact O-C 3.59Å; Y33-V76 VanDerWaalsContact O-CA 3.29Å; Y33-V76 WeakPolarHBondContact O-CA 3.45Å; Y33-L77 PolarHBondContact O-N 2.87Å; Y33-T320 HydrophobicContact CG-CG2 4.48Å; Y33-P321 HydrophobicContact CD1-CG 4.29Å; Y33-P321 HydrophobicContact CD2-CG 4.16Å; Y33-P321 HydrophobicContact CE1-CG 3.81Å; Y33-P321 HydrophobicContact CE2-CG 3.72Å; Y33-P321 HydrophobicContact CG-CG 4.47Å
34	P	98.7	Very high	96.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	134.2	170.2	-25.1	37.6	0	0	0	113	V32 L77 F79 Y276 I316 T317 Y318	V32-P34 WeakPolarHBondContact O-CD 3.5Å; P34-L77 CarbonylContact C-O 3.52Å; P34-L77 WeakPolarHBondContact CA-O 3.25Å; P34-F79 HydrophobicContact CB-CD2 4.49Å; P34-F79 HydrophobicContact CB-CE2 4Å; P34-Y276 HydrophobicContact CG-CE1 4.33Å; P34-Y276 WeakPolarHBondContact CG-OH 3.4Å; P34-I316 HydrophobicContact CG-CG2 3.56Å; P34-T317 VanDerWaalsContact CD-O 3.27Å; P34-T317 WeakPolarHBondContact CD-O 3.36Å; P34-Y318 HydrophobicContact CB-CD1 3.85Å; P34-Y318 HydrophobicContact CB-CE1 3.45Å; P34-Y318 VanDerWaalsContact CB-CE1 3.45Å; P34-Y318 HydrophobicContact CG-CD1 3.97Å; P34-Y318 HydrophobicContact CG-CE1 3.76Å
35	I	98.1	Very high	96.6	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.1	178	-55	176.8	0	0	0	109.9	Y33 L37 L65 V76 L77 L78 F79	Y33-I35 HydrophobicContact CD1-CD1 4.39Å; Y33-I35 HydrophobicContact CD1-CG1 4.03Å; Y33-I35 HydrophobicContact CE1-CG1 4.2Å; I35-L37 HydrophobicContact CG2-CD2 3.91Å; I35-L37 HydrophobicContact CG2-CG 4.44Å; I35-L65 HydrophobicContact CD1-CD1 3.67Å; I35-L65 HydrophobicContact CD1-CD2 3.68Å; I35-L65 HydrophobicContact CD1-CG 4.09Å; I35-V76 HydrophobicContact CD1-CB 3.77Å; I35-V76 HydrophobicContact CD1-CG1 3.62Å; I35-V76 HydrophobicContact CD1-CG2 4.47Å; I35-V76 HydrophobicContact CG1-CB 4.44Å; I35-L77 PolarHBondContact N-O 3.16Å; I35-L78 HydrophobicContact CB-CD2 4.27Å; I35-L78 HydrophobicContact CD1-CD2 4.3Å; I35-F79 PolarHBondContact O-N 3.4Å
36	F	98.1	Very high	96.7	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117	176	-58.5	-84.7	0	0	0	110.4	I47 L50 R55 I56 F79 F208 A211 A212 Y318	F36-I47 HydrophobicContact CB-CD1 4.24Å; F36-I47 HydrophobicContact CD2-CD1 3.63Å; F36-I47 HydrophobicContact CE2-CD1 4.18Å; F36-I47 HydrophobicContact CG-CD1 4.01Å; F36-L50 HydrophobicContact CE2-CD2 3.64Å; F36-L50 HydrophobicContact CZ-CD2 4.07Å; F36-R55 HydrophobicContact CB-CG 3.86Å; F36-R55 WeakPolarHBondContact O-CA 3.41Å; F36-I56 PolarHBondContact O-N 3.02Å; F36-F79 HydrophobicContact CD1-CB 3.97Å; F36-F79 HydrophobicContact CD1-CG 4.46Å; F36-F79 HydrophobicContact CE1-CB 4.35Å; F36-F79 HydrophobicContact CE1-CD2 4.38Å; F36-F79 HydrophobicContact CE1-CG 4.38Å; F36-F208 AromaticContact CE1-CD2 3.79Å; F36-F208 HydrophobicContact CE1-CD2 3.79Å; F36-F208 AromaticContact CE1-CE2 3.65Å; F36-F208 HydrophobicContact CE1-CE2 3.65Å; F36-F208 HydrophobicContact CE1-CZ 4.49Å; F36-F208 AromaticContact CZ-CD2 3.83Å; F36-F208 HydrophobicContact CZ-CD2 3.83Å; F36-F208 HydrophobicContact CZ-CE2 4.05Å; F36-A211 HydrophobicContact CD1-CB 3.82Å; F36-A211 HydrophobicContact CD2-CB 4.22Å; F36-A211 HydrophobicContact CE1-CB 3.46Å; F36-A211 VanDerWaalsContact CE1-CB 3.46Å; F36-A211 HydrophobicContact CE2-CB 3.9Å; F36-A211 HydrophobicContact CG-CB 4.18Å; F36-A211 HydrophobicContact CZ-CB 3.5Å; F36-A211 VanDerWaalsContact CZ-CB 3.5Å; F36-A212 HydrophobicContact CD1-CB 4.49Å; F36-A212 HydrophobicContact CE1-CB 4.31Å; F36-Y318 HydrophobicContact CE2-CD1 4.39Å; F36-Y318 AromaticContact CE2-CE1 3.71Å; F36-Y318 HydrophobicContact CE2-CE1 3.71Å; F36-Y318 AromaticContact CZ-CE1 3.82Å; F36-Y318 HydrophobicContact CZ-CE1 3.82Å
37	L	98	Very high	96.8	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130	-176.4	-56.7	169.4	0	0	0	110.2	I35 I56 I61 L78 F79 T81 P100 V101 A104	I35-L37 HydrophobicContact CG2-CD2 3.91Å; I35-L37 HydrophobicContact CG2-CG 4.44Å; L37-I56 CarbonylContact C-O 3.34Å; L37-I56 VanDerWaalsContact CA-O 3.28Å; L37-I56 WeakPolarHBondContact CA-O 3.41Å; L37-I61 HydrophobicContact CD2-CD1 3.53Å; L37-I61 HydrophobicContact CD2-CG1 4.28Å; L37-L78 HydrophobicContact CD1-CB 3.98Å; L37-L78 HydrophobicContact CD1-CD1 4.21Å; L37-L78 HydrophobicContact CD1-CD2 4.21Å; L37-L78 HydrophobicContact CD1-CG 4.36Å; L37-F79 PolarHBondContact N-O 3.49Å; L37-T81 PolarHBondContact O-N 2.93Å; L37-T81 PolarHBondContact O-OG1 3.47Å; L37-P100 HydrophobicContact CB-CB 3.89Å; L37-V101 HydrophobicContact CD1-CG2 4.31Å; L37-A104 HydrophobicContact CD1-CB 3.38Å; L37-A104 HydrophobicContact CD2-CB 4.03Å; L37-A104 HydrophobicContact CG-CB 4.34Å
38	S	95.7	Very high	96.6	Very high	16 Å²	16	40.9 Å²	40.9	11%	0.112	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	144.1	175.4	177.5	0	0	0	0	110.1	D40 C43 I56 P100	S38-D40 VanDerWaalsContact C-N 3.3Å; S38-D40 PolarHBondContact OG-N 2.86Å; S38-D40 VanDerWaalsContact OG-N 3.16Å; S38-D40 PolarHBondContact OG-O 3.3Å; S38-C43 VanDerWaalsContact CB-CB 3.42Å; S38-C43 VanDerWaalsContact CB-SG 3.57Å; S38-C43 VanDerWaalsContact OG-CB 3.25Å; S38-C43 WeakPolarHBondContact OG-CB 3.33Å; S38-C43 PolarHBondContact OG-SG 3.33Å; S38-I56 PolarHBondContact N-O 3.21Å; S38-P100 WeakPolarHBondContact O-CB 3.44Å
39	Q	93.9	Very high	96.4	Very high	49 Å²	49	41.9 Å²	41.9	23%	0.229	22%	0.224	C	C	.	.	S	Bend	trans	-64.7	-33.9	168	175.5	164.2	40.7	0	0	113.2	P41 T81 Q86	Q39-P41 WeakPolarHBondContact O-CD 3.24Å; Q39-T81 PolarHBondContact N-O 3.47Å; Q39-T81 VanDerWaalsContact N-O 3.08Å; Q39-Q86 VanDerWaalsContact CD-OE1 3.26Å; Q39-Q86 VanDerWaalsContact OE1-OE1 3.09Å
40	D	95.4	Very high	96.3	Very high	73 Å²	73	36.7 Å²	36.7	39%	0.39	20%	0.199	S	C	.	.	S	Bend	trans	-65.2	113.5	169	168.5	10.8	0	0	0	108.6	S38 D42 C43 G57	S38-D40 VanDerWaalsContact C-N 3.3Å; S38-D40 PolarHBondContact OG-N 2.86Å; S38-D40 VanDerWaalsContact OG-N 3.16Å; S38-D40 PolarHBondContact OG-O 3.3Å; D40-D42 PolarHBondContact O-N 3.03Å; D40-D42 PolarHBondContact OD1-N 3.37Å; D40-C43 HydrophobicContact CB-CB 3.95Å; D40-C43 WeakPolarHBondContact O-CB 3.46Å; D40-C43 PolarHBondContact O-N 2.88Å; D40-G57 WeakPolarHBondContact O-CA 3.43Å
41	P	95	Very high	96	Very high	47 Å²	47	37.3 Å²	37.3	31%	0.305	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.8	-170.2	29.8	-37.5	0	0	0	113.1	Q39 G57 C58 N59	Q39-P41 WeakPolarHBondContact O-CD 3.24Å; P41-G57 CarbonylContact O-C 3.57Å; P41-G57 WeakPolarHBondContact O-CA 3.45Å; P41-C58 WeakPolarHBondContact CB-SG 3.32Å; P41-C58 PolarHBondContact O-N 3.4Å; P41-N59 VanDerWaalsContact O-CB 3.26Å; P41-N59 WeakPolarHBondContact O-CB 3.26Å; P41-N59 PolarHBondContact O-N 2.98Å
42	D	97	Very high	95.8	Very high	98 Å²	98	42.5 Å²	42.5	52%	0.524	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	3.7	-179.7	-62.7	-47.6	0	0	0	112.8	D40 D44 N59	D40-D42 PolarHBondContact O-N 3.03Å; D40-D42 PolarHBondContact OD1-N 3.37Å; D42-D44 PolarHBondContact O-N 3.03Å; D42-N59 WeakPolarHBondContact OD1-CB 3.1Å; D42-N59 PolarHBondContact OD1-ND2 3.48Å
43	C	96.6	Very high	95.7	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.034	23%	0.231	C	C	.	.			trans	-58.4	134	-178.3	-176	0	0	0	0	111.8	S38 D40 I56 G57	S38-C43 VanDerWaalsContact CB-CB 3.42Å; S38-C43 VanDerWaalsContact CB-SG 3.57Å; S38-C43 VanDerWaalsContact OG-CB 3.25Å; S38-C43 WeakPolarHBondContact OG-CB 3.33Å; S38-C43 PolarHBondContact OG-SG 3.33Å; D40-C43 HydrophobicContact CB-CB 3.95Å; D40-C43 WeakPolarHBondContact O-CB 3.46Å; D40-C43 PolarHBondContact O-N 2.88Å; C43-I56 CarbonylContact O-C 3.49Å; C43-I56 WeakPolarHBondContact O-CA 3.49Å; C43-G57 PolarHBondContact O-N 2.9Å
44	D	96.2	Very high	95.6	Very high	56 Å²	56	46.1 Å²	46.1	30%	0.299	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	73.6	174.6	-167.2	-12.4	0	0	0	108.8	D42 R54 R60	D42-D44 PolarHBondContact O-N 3.03Å; D44-R54 PolarHBondContact O-NH2 2.93Å; D44-R54 IonicContact OD1-CZ 2.68Å; D44-R54 IonicContact OD1-NE 3.98Å; D44-R54 PolarHBondContact OD1-NE 3.29Å; D44-R54 IonicContact OD1-NH2 2.56Å; D44-R54 PolarHBondContact OD1-NH2 2.96Å; D44-R54 IonicContact OD2-NH2 2.71Å; D44-R60 IonicContact OD2-CZ 3.97Å; D44-R60 IonicContact OD2-NE 3.44Å; D44-R60 PolarHBondContact OD2-NE 3.08Å; D44-R60 IonicContact OD2-NH2 2.69Å; D44-R60 PolarHBondContact OD2-NH2 3.41Å
45	K	95.7	Very high	95.5	Very high	117 Å²	117	48.6 Å²	48.6	51%	0.509	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.7	-168.7	-69.7	-179.2	-178	169	0	111.9	R54 R55	K45-R54 CarbonylContact O-C 3.1Å; K45-R54 VanDerWaalsContact O-CA 3.24Å; K45-R54 WeakPolarHBondContact O-CA 3.31Å; K45-R55 PolarHBondContact N-O 3.1Å; K45-R55 PolarHBondContact O-N 3.11Å
46	I	95.1	Very high	95.5	Very high	105 Å²	105	48.6 Å²	48.6	54%	0.538	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	139.7	172.1	-63.4	171.7	0	0	0	109.9	R54	I46-R54 VanDerWaalsContact CG1-NH1 3.29Å
47	I	94.9	Very high	95.5	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.036	25%	0.252	C	S	.	.			trans	-95.5	103.8	173.1	-52.1	178.4	0	0	0	107.5	F36 S49 L50 Q53 R55 A211	F36-I47 HydrophobicContact CB-CD1 4.24Å; F36-I47 HydrophobicContact CD2-CD1 3.63Å; F36-I47 HydrophobicContact CE2-CD1 4.18Å; F36-I47 HydrophobicContact CG-CD1 4.01Å; I47-S49 VanDerWaalsContact C-N 3.31Å; I47-S49 PolarHBondContact O-N 3.41Å; I47-L50 HydrophobicContact CB-CB 4.23Å; I47-L50 HydrophobicContact CG2-CB 3.88Å; I47-L50 CarbonylContact O-C 3.56Å; I47-L50 PolarHBondContact O-N 2.89Å; I47-Q53 HydrophobicContact CD1-CB 4.42Å; I47-Q53 PolarHBondContact N-O 3.43Å; I47-R55 HydrophobicContact CD1-CG 3.81Å; I47-R55 HydrophobicContact CG1-CG 4.01Å; I47-A211 HydrophobicContact CD1-CB 3.71Å; I47-A211 HydrophobicContact CG2-CB 3.91Å
48	T	92.1	Very high	95.3	Very high	134 Å²	134	48.9 Å²	48.9	82%	0.822	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-36.2	-169.5	49.6	0	0	0	0	114	L50	T48-L50 VanDerWaalsContact C-N 3.33Å
49	S	92.4	Very high	95.4	Very high	31 Å²	31	52.9 Å²	52.9	22%	0.217	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-13.2	179	55.1	0	0	0	0	113.7	I47 P207 D210	I47-S49 VanDerWaalsContact C-N 3.31Å; I47-S49 PolarHBondContact O-N 3.41Å; S49-P207 WeakPolarHBondContact O-CB 3.31Å; S49-P207 WeakPolarHBondContact O-CG 3.3Å; S49-D210 WeakPolarHBondContact CB-OD2 3.36Å; S49-D210 VanDerWaalsContact OG-CB 3.29Å; S49-D210 WeakPolarHBondContact OG-CB 3.49Å; S49-D210 PolarHBondContact OG-OD2 3.08Å
50	L	94.4	Very high	95.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-122.3	84.2	-178.7	-166.3	69.8	0	0	0	109.1	F36 I47 T48 Q53 P207 A211 Y282 Y318	F36-L50 HydrophobicContact CE2-CD2 3.64Å; F36-L50 HydrophobicContact CZ-CD2 4.07Å; I47-L50 HydrophobicContact CB-CB 4.23Å; I47-L50 HydrophobicContact CG2-CB 3.88Å; I47-L50 CarbonylContact O-C 3.56Å; I47-L50 PolarHBondContact O-N 2.89Å; T48-L50 VanDerWaalsContact C-N 3.33Å; L50-Q53 HydrophobicContact CB-CB 4.23Å; L50-Q53 HydrophobicContact CB-CG 4.35Å; L50-Q53 HydrophobicContact CD2-CB 3.77Å; L50-Q53 HydrophobicContact CD2-CG 3.58Å; L50-Q53 HydrophobicContact CG-CB 3.88Å; L50-Q53 HydrophobicContact CG-CG 3.52Å; L50-Q53 VanDerWaalsContact O-CB 3.28Å; L50-Q53 WeakPolarHBondContact O-CB 3.34Å; L50-Q53 PolarHBondContact O-N 3.43Å; L50-P207 HydrophobicContact CB-CB 4.19Å; L50-P207 HydrophobicContact CD1-CB 4.12Å; L50-A211 HydrophobicContact CD2-CB 4.46Å; L50-Y282 HydrophobicContact CD1-CD1 3.64Å; L50-Y282 HydrophobicContact CD1-CE1 4.26Å; L50-Y282 HydrophobicContact CD1-CG 4.44Å; L50-Y282 HydrophobicContact CG-CD1 4.37Å; L50-Y318 HydrophobicContact CD1-CD2 4.29Å; L50-Y318 HydrophobicContact CD1-CE2 4.43Å; L50-Y318 HydrophobicContact CD1-CG 4.45Å; L50-Y318 HydrophobicContact CD2-CD1 3.85Å; L50-Y318 HydrophobicContact CD2-CE1 3.76Å; L50-Y318 HydrophobicContact CD2-CG 4.33Å
51	I	93.2	Very high	95.7	Very high	32 Å²	32	50.7 Å²	50.7	16%	0.164	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.1	136.8	-172.4	-59.9	165.3	0	0	0	111.2	Q53 Y282 K286	I51-Q53 PolarHBondContact O-N 3Å; I51-Y282 HydrophobicContact CB-CE1 4.23Å; I51-Y282 WeakPolarHBondContact O-CE1 3.46Å; I51-Y282 PolarHBondContact O-OH 3Å; I51-K286 HydrophobicContact CB-CB 4.46Å; I51-K286 HydrophobicContact CD1-CB 3.63Å; I51-K286 VanDerWaalsContact CG2-CE 3.48Å
52	D	94.1	Very high	95.9	Very high	109 Å²	109	50.2 Å²	50.2	58%	0.583	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	3.6	-179.5	-50.6	-34.3	0	0	0	116.3	K286	D52-K286 VanDerWaalsContact OD2-CE 3.25Å; D52-K286 WeakPolarHBondContact OD2-CE 3.44Å; D52-K286 IonicContact OD2-NZ 3.92Å; D52-K286 PolarHBondContact OD2-NZ 3.14Å
53	Q	97	Very high	95.9	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.028	26%	0.255	C	S	.	.			trans	-97.7	155.5	176.2	-54.8	-55.2	-56.1	0	0	112.3	Y33 I47 L50 I51 Y318	Y33-Q53 VanDerWaalsContact CE2-OE1 3.27Å; Y33-Q53 PolarHBondContact OH-OE1 3.38Å; I47-Q53 HydrophobicContact CD1-CB 4.42Å; I47-Q53 PolarHBondContact N-O 3.43Å; L50-Q53 HydrophobicContact CB-CB 4.23Å; L50-Q53 HydrophobicContact CB-CG 4.35Å; L50-Q53 HydrophobicContact CD2-CB 3.77Å; L50-Q53 HydrophobicContact CD2-CG 3.58Å; L50-Q53 HydrophobicContact CG-CB 3.88Å; L50-Q53 HydrophobicContact CG-CG 3.52Å; L50-Q53 VanDerWaalsContact O-CB 3.28Å; L50-Q53 WeakPolarHBondContact O-CB 3.34Å; L50-Q53 PolarHBondContact O-N 3.43Å; I51-Q53 PolarHBondContact O-N 3Å; Q53-Y318 HydrophobicContact CG-CD1 4.24Å; Q53-Y318 PolarHBondContact NE2-O 3.27Å
54	R	96.6	Very high	95.9	Very high	77 Å²	77	53.4 Å²	53.4	29%	0.291	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.9	-173.7	-50.8	-179.8	76.1	91.9	-0.5	110.9	D44 K45 I46 I56	D44-R54 PolarHBondContact O-NH2 2.93Å; D44-R54 IonicContact OD1-CZ 2.68Å; D44-R54 IonicContact OD1-NE 3.98Å; D44-R54 PolarHBondContact OD1-NE 3.29Å; D44-R54 IonicContact OD1-NH2 2.56Å; D44-R54 PolarHBondContact OD1-NH2 2.96Å; D44-R54 IonicContact OD2-NH2 2.71Å; K45-R54 CarbonylContact O-C 3.1Å; K45-R54 VanDerWaalsContact O-CA 3.24Å; K45-R54 WeakPolarHBondContact O-CA 3.31Å; I46-R54 VanDerWaalsContact CG1-NH1 3.29Å; R54-I56 HydrophobicContact CB-CD1 4.15Å; R54-I56 HydrophobicContact CB-CG1 3.89Å
55	R	96.6	Very high	96	Very high	53 Å²	53	50.7 Å²	50.7	20%	0.2	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.6	159.2	-79.8	-176.7	-68.6	172.1	-5	108.2	F36 K45 I47 A211	F36-R55 HydrophobicContact CB-CG 3.86Å; F36-R55 WeakPolarHBondContact O-CA 3.41Å; K45-R55 PolarHBondContact N-O 3.1Å; K45-R55 PolarHBondContact O-N 3.11Å; I47-R55 HydrophobicContact CD1-CG 3.81Å; I47-R55 HydrophobicContact CG1-CG 4.01Å; R55-A211 WeakPolarHBondContact CD-O 3.29Å
56	I	97.6	Very high	96.2	Very high	2 Å²	2	48 Å²	48	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132	-167.7	-54	-169.8	0	0	0	109.3	F36 L37 S38 C43 R54 R60 I61 F64	F36-I56 PolarHBondContact O-N 3.02Å; L37-I56 CarbonylContact C-O 3.34Å; L37-I56 VanDerWaalsContact CA-O 3.28Å; L37-I56 WeakPolarHBondContact CA-O 3.41Å; S38-I56 PolarHBondContact N-O 3.21Å; C43-I56 CarbonylContact O-C 3.49Å; C43-I56 WeakPolarHBondContact O-CA 3.49Å; R54-I56 HydrophobicContact CB-CD1 4.15Å; R54-I56 HydrophobicContact CB-CG1 3.89Å; I56-R60 HydrophobicContact CG2-CB 3.63Å; I56-I61 HydrophobicContact CG2-CB 4.46Å; I56-F64 HydrophobicContact CD1-CB 3.87Å; I56-F64 HydrophobicContact CD1-CD1 3.21Å; I56-F64 HydrophobicContact CD1-CD2 3.39Å; I56-F64 HydrophobicContact CD1-CE1 3.4Å; I56-F64 VanDerWaalsContact CD1-CE1 3.4Å; I56-F64 HydrophobicContact CD1-CE2 3.6Å; I56-F64 HydrophobicContact CD1-CG 3.19Å; I56-F64 HydrophobicContact CD1-CZ 3.6Å
57	G	97.4	Very high	96.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.			trans	-80.2	162.1	172.6	0	0	0	0	0	112.2	D40 P41 C43 N59 R60 I61	D40-G57 WeakPolarHBondContact O-CA 3.43Å; P41-G57 CarbonylContact O-C 3.57Å; P41-G57 WeakPolarHBondContact O-CA 3.45Å; C43-G57 PolarHBondContact O-N 2.9Å; G57-N59 VanDerWaalsContact C-N 3.27Å; G57-N59 PolarHBondContact O-N 2.69Å; G57-R60 PolarHBondContact O-N 3.24Å; G57-I61 PolarHBondContact O-N 3.01Å
58	C	95.5	Very high	96.5	Very high	9 Å²	9	46.6 Å²	46.6	6%	0.061	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-31.1	-176.6	62.9	0	0	0	0	113.6	P41 R60 I61 Q103 L107	P41-C58 WeakPolarHBondContact CB-SG 3.32Å; P41-C58 PolarHBondContact O-N 3.4Å; C58-R60 PolarHBondContact O-N 2.81Å; C58-I61 VanDerWaalsContact O-CG2 3.29Å; C58-I61 WeakPolarHBondContact O-CG2 3.28Å; C58-Q103 HydrophobicContact CB-CB 4.07Å; C58-Q103 PolarHBondContact SG-OE1 3.04Å; C58-L107 HydrophobicContact CB-CD1 3.89Å; C58-L107 VanDerWaalsContact O-CD1 3.31Å; C58-L107 WeakPolarHBondContact O-CD1 3.39Å
59	N	96.9	Very high	96.8	Very high	101 Å²	101	42.1 Å²	42.1	54%	0.54	21%	0.213	S	C	.	.	H	α-helix	trans	-70.3	-19.6	177.6	-65.7	-16.2	0	0	0	112.6	P41 D42 G57	P41-N59 VanDerWaalsContact O-CB 3.26Å; P41-N59 WeakPolarHBondContact O-CB 3.26Å; P41-N59 PolarHBondContact O-N 2.98Å; D42-N59 WeakPolarHBondContact OD1-CB 3.1Å; D42-N59 PolarHBondContact OD1-ND2 3.48Å; G57-N59 VanDerWaalsContact C-N 3.27Å; G57-N59 PolarHBondContact O-N 2.69Å
60	R	97.8	Very high	97	Very high	76 Å²	76	44.8 Å²	44.8	29%	0.287	24%	0.237	S	C	.	.	H	α-helix	trans	-102.5	-16.7	-175.8	-55.6	-67.5	-70.1	151.7	10.1	113	D44 I56 G57 C58 I62 E63 F64	D44-R60 IonicContact OD2-CZ 3.97Å; D44-R60 IonicContact OD2-NE 3.44Å; D44-R60 PolarHBondContact OD2-NE 3.08Å; D44-R60 IonicContact OD2-NH2 2.69Å; D44-R60 PolarHBondContact OD2-NH2 3.41Å; I56-R60 HydrophobicContact CG2-CB 3.63Å; G57-R60 PolarHBondContact O-N 3.24Å; C58-R60 PolarHBondContact O-N 2.81Å; R60-I62 PolarHBondContact O-N 2.99Å; R60-E63 IonicContact CZ-OE1 3.48Å; R60-E63 IonicContact CZ-OE2 3.59Å; R60-E63 IonicContact NH1-OE1 3.12Å; R60-E63 IonicContact NH1-OE2 3.72Å; R60-E63 PolarHBondContact NH1-OE2 3.39Å; R60-E63 IonicContact NH2-OE1 3.58Å; R60-E63 PolarHBondContact NH2-OE1 3.3Å; R60-E63 IonicContact NH2-OE2 2.7Å; R60-E63 PolarHBondContact O-N 2.96Å; R60-F64 WeakPolarHBondContact O-CB 3.44Å; R60-F64 PolarHBondContact O-N 3.13Å
61	I	98	Very high	97.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-38	-171	-161.2	-178.5	0	0	0	113.6	L37 I56 G57 C58 F64 L65 A104 L107 L108	L37-I61 HydrophobicContact CD2-CD1 3.53Å; L37-I61 HydrophobicContact CD2-CG1 4.28Å; I56-I61 HydrophobicContact CG2-CB 4.46Å; G57-I61 PolarHBondContact O-N 3.01Å; C58-I61 VanDerWaalsContact O-CG2 3.29Å; C58-I61 WeakPolarHBondContact O-CG2 3.28Å; I61-F64 PolarHBondContact O-N 3.11Å; I61-L65 HydrophobicContact CG1-CD1 4.13Å; I61-L65 HydrophobicContact CG1-CG 4.46Å; I61-L65 WeakPolarHBondContact O-CB 3.48Å; I61-L65 WeakPolarHBondContact O-CG 3.5Å; I61-L65 PolarHBondContact O-N 2.56Å; I61-A104 HydrophobicContact CD1-CB 3.69Å; I61-L107 HydrophobicContact CG2-CD1 4.23Å; I61-L108 HydrophobicContact CD1-CD1 3.95Å; I61-L108 HydrophobicContact CD1-CD2 4.07Å; I61-L108 HydrophobicContact CD1-CG 4.13Å; I61-L108 HydrophobicContact CG1-CD2 4.38Å
62	I	98.3	Very high	97.3	Very high	37 Å²	37	52.5 Å²	52.5	19%	0.19	27%	0.271	C	S	.	.	H	α-helix	trans	-68.6	-47.6	-178.9	-64.7	-51	0	0	0	110.8	R60 F64 L65 T66 L107 L108 K111 F112	R60-I62 PolarHBondContact O-N 2.99Å; I62-F64 VanDerWaalsContact C-N 3.29Å; I62-F64 PolarHBondContact O-N 2.71Å; I62-L65 PolarHBondContact O-N 2.7Å; I62-T66 WeakPolarHBondContact O-CB 3.25Å; I62-T66 PolarHBondContact O-N 3.23Å; I62-T66 PolarHBondContact O-OG1 2.85Å; I62-L107 HydrophobicContact CD1-CB 4.17Å; I62-L107 HydrophobicContact CG1-CB 4.42Å; I62-L108 HydrophobicContact CD1-CD2 4.05Å; I62-K111 HydrophobicContact CD1-CB 3.67Å; I62-K111 HydrophobicContact CD1-CG 3.93Å; I62-K111 HydrophobicContact CG1-CB 4.44Å; I62-K111 HydrophobicContact CG1-CG 4.44Å; I62-K111 HydrophobicContact CG2-CD 4.17Å; I62-K111 HydrophobicContact CG2-CG 3.71Å; I62-F112 HydrophobicContact CD1-CD2 4.29Å; I62-F112 HydrophobicContact CD1-CE2 3.79Å; I62-F112 HydrophobicContact CG2-CE2 4.49Å; I62-F112 HydrophobicContact CG2-CZ 4.3Å
63	E	97.7	Very high	97.5	Very high	117 Å²	117	47.6 Å²	47.6	55%	0.547	24%	0.244	S	C	.	.	H	α-helix	trans	-57.7	-46.1	175.7	-176.8	-171.9	146.2	0	0	110.5	R60 L65 P67	R60-E63 IonicContact CZ-OE1 3.48Å; R60-E63 IonicContact CZ-OE2 3.59Å; R60-E63 IonicContact NH1-OE1 3.12Å; R60-E63 IonicContact NH1-OE2 3.72Å; R60-E63 PolarHBondContact NH1-OE2 3.39Å; R60-E63 IonicContact NH2-OE1 3.58Å; R60-E63 PolarHBondContact NH2-OE1 3.3Å; R60-E63 IonicContact NH2-OE2 2.7Å; R60-E63 PolarHBondContact O-N 2.96Å; E63-L65 PolarHBondContact O-N 3.26Å; E63-P67 WeakPolarHBondContact O-CD 3.18Å
64	F	97.6	Very high	97.6	Very high	52 Å²	52	51.4 Å²	51.4	23%	0.228	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-42.6	179.7	178.1	-106.6	0	0	0	113.5	Y33 I56 R60 I61 I62 P67	Y33-F64 AromaticContact CE1-CE1 3.77Å; Y33-F64 HydrophobicContact CE1-CE1 3.77Å; Y33-F64 HydrophobicContact CE1-CZ 4.05Å; I56-F64 HydrophobicContact CD1-CB 3.87Å; I56-F64 HydrophobicContact CD1-CD1 3.21Å; I56-F64 HydrophobicContact CD1-CD2 3.39Å; I56-F64 HydrophobicContact CD1-CE1 3.4Å; I56-F64 VanDerWaalsContact CD1-CE1 3.4Å; I56-F64 HydrophobicContact CD1-CE2 3.6Å; I56-F64 HydrophobicContact CD1-CG 3.19Å; I56-F64 HydrophobicContact CD1-CZ 3.6Å; R60-F64 WeakPolarHBondContact O-CB 3.44Å; R60-F64 PolarHBondContact O-N 3.13Å; I61-F64 PolarHBondContact O-N 3.11Å; I62-F64 VanDerWaalsContact C-N 3.29Å; I62-F64 PolarHBondContact O-N 2.71Å; F64-P67 WeakPolarHBondContact O-CD 3.41Å
65	L	98.3	Very high	97.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-86.4	-24.3	-176.2	-72.9	-175.8	0	0	0	114.8	Y33 I35 I61 I62 E63 L68 V69 L73 V76 L108 F112 L115	Y33-L65 HydrophobicContact CD1-CD2 4.38Å; I35-L65 HydrophobicContact CD1-CD1 3.67Å; I35-L65 HydrophobicContact CD1-CD2 3.68Å; I35-L65 HydrophobicContact CD1-CG 4.09Å; I61-L65 HydrophobicContact CG1-CD1 4.13Å; I61-L65 HydrophobicContact CG1-CG 4.46Å; I61-L65 WeakPolarHBondContact O-CB 3.48Å; I61-L65 WeakPolarHBondContact O-CG 3.5Å; I61-L65 PolarHBondContact O-N 2.56Å; I62-L65 PolarHBondContact O-N 2.7Å; E63-L65 PolarHBondContact O-N 3.26Å; L65-L68 HydrophobicContact CD2-CD1 3.94Å; L65-L68 PolarHBondContact O-N 3.18Å; L65-V69 WeakPolarHBondContact O-CG2 3.19Å; L65-V69 PolarHBondContact O-N 3.26Å; L65-L73 HydrophobicContact CD2-CD2 3.93Å; L65-V76 HydrophobicContact CD1-CG1 4.23Å; L65-L108 HydrophobicContact CD1-CD1 4.49Å; L65-L108 HydrophobicContact CD1-CD2 3.49Å; L65-L108 VanDerWaalsContact CD1-CD2 3.49Å; L65-F112 HydrophobicContact CB-CE2 4.07Å; L65-L115 HydrophobicContact CD1-CD2 4.39Å
66	T	98.5	Very high	97.8	Very high	61 Å²	61	45.8 Å²	45.8	37%	0.374	24%	0.241	S	C	.	.	H	α-helix	trans	-46.9	-51.6	179.1	-64.6	0	0	0	0	113.4	I62 L68 V69 A70	I62-T66 WeakPolarHBondContact O-CB 3.25Å; I62-T66 PolarHBondContact O-N 3.23Å; I62-T66 PolarHBondContact O-OG1 2.85Å; T66-L68 VanDerWaalsContact C-N 3.31Å; T66-L68 PolarHBondContact O-N 3.49Å; T66-V69 PolarHBondContact O-N 3.44Å; T66-A70 PolarHBondContact O-N 2.8Å
67	P	97.9	Very high	97.8	Very high	67 Å²	67	45.7 Å²	45.7	44%	0.435	24%	0.241	S	C	.	.	H	α-helix	trans	-65.6	-31.9	178.9	25.4	-34.8	0	0	0	113.2	E63 F64 K71	E63-P67 WeakPolarHBondContact O-CD 3.18Å; F64-P67 WeakPolarHBondContact O-CD 3.41Å; P67-K71 WeakPolarHBondContact O-CG 3.43Å; P67-K71 PolarHBondContact O-N 2.92Å
68	L	98.1	Very high	97.9	Very high	15 Å²	15	45.7 Å²	45.7	8%	0.079	24%	0.241	C	C	.	.	H	α-helix	trans	-73.8	-40.4	179.1	-59.9	179.8	0	0	0	111.6	Y33 L65 T66 A70 K71 Q72 L73 P321	Y33-L68 HydrophobicContact CD1-CD1 3.94Å; Y33-L68 HydrophobicContact CE1-CD1 3.75Å; L65-L68 HydrophobicContact CD2-CD1 3.94Å; L65-L68 PolarHBondContact O-N 3.18Å; T66-L68 VanDerWaalsContact C-N 3.31Å; T66-L68 PolarHBondContact O-N 3.49Å; L68-A70 VanDerWaalsContact C-N 3.31Å; L68-A70 PolarHBondContact O-N 3.28Å; L68-K71 CarbonylContact O-C 3.5Å; L68-K71 VanDerWaalsContact O-C 3.25Å; L68-K71 WeakPolarHBondContact O-CA 3.27Å; L68-K71 PolarHBondContact O-N 3.45Å; L68-Q72 PolarHBondContact O-N 2.81Å; L68-L73 HydrophobicContact CB-CB 4.04Å; L68-L73 HydrophobicContact CB-CD2 3.75Å; L68-L73 HydrophobicContact CD1-CD2 4.3Å; L68-L73 WeakPolarHBondContact O-CB 3.41Å; L68-L73 PolarHBondContact O-N 3.1Å; L68-P321 HydrophobicContact CD1-CG 4.09Å; L68-P321 HydrophobicContact CD2-CB 3.85Å; L68-P321 HydrophobicContact CD2-CG 4.3Å
69	V	98.2	Very high	98	Very high	40 Å²	40	45.7 Å²	45.7	24%	0.242	24%	0.24	C	C	.	.	H	α-helix	trans	-63.1	-40.5	174.1	178	0	0	0	0	110.6	L65 T66 K71 Q72 F112 L115	L65-V69 WeakPolarHBondContact O-CG2 3.19Å; L65-V69 PolarHBondContact O-N 3.26Å; T66-V69 PolarHBondContact O-N 3.44Å; V69-K71 PolarHBondContact O-N 3.16Å; V69-Q72 PolarHBondContact O-N 3.35Å; V69-F112 HydrophobicContact CB-CD1 4.28Å; V69-F112 HydrophobicContact CB-CE1 4.24Å; V69-F112 HydrophobicContact CG1-CD1 3.97Å; V69-F112 HydrophobicContact CG1-CE1 4.34Å; V69-F112 HydrophobicContact CG2-CD1 4.08Å; V69-F112 HydrophobicContact CG2-CD2 4.33Å; V69-F112 HydrophobicContact CG2-CE1 4.16Å; V69-F112 HydrophobicContact CG2-CE2 4.41Å; V69-F112 HydrophobicContact CG2-CG 4.16Å; V69-F112 HydrophobicContact CG2-CZ 4.33Å; V69-L115 HydrophobicContact CG2-CD1 4.32Å
70	A	97.5	Very high	98.1	Very high	86 Å²	86	41 Å²	41	71%	0.711	22%	0.216	S	C	*	.	H	α-helix	trans	-60.5	-28.7	172.9	0	0	0	0	0	112.8	T66 L68 Q72	T66-A70 PolarHBondContact O-N 2.8Å; L68-A70 VanDerWaalsContact C-N 3.31Å; L68-A70 PolarHBondContact O-N 3.28Å; A70-Q72 VanDerWaalsContact C-N 3.26Å; A70-Q72 PolarHBondContact O-N 3.33Å
71	K	97.2	Very high	97.9	Very high	82 Å²	82	37.7 Å²	37.7	36%	0.357	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	26.2	172.6	-65.2	177.6	-172.8	-177.7	0	113.1	P67 L68 V69 L73 L324 E325	P67-K71 WeakPolarHBondContact O-CG 3.43Å; P67-K71 PolarHBondContact O-N 2.92Å; L68-K71 CarbonylContact O-C 3.5Å; L68-K71 VanDerWaalsContact O-C 3.25Å; L68-K71 WeakPolarHBondContact O-CA 3.27Å; L68-K71 PolarHBondContact O-N 3.45Å; V69-K71 PolarHBondContact O-N 3.16Å; K71-L73 PolarHBondContact O-N 3.36Å; K71-L324 HydrophobicContact CB-CB 4.2Å; K71-L324 WeakPolarHBondContact O-CD2 3.43Å; K71-E325 WeakPolarHBondContact CD-OE1 3.32Å; K71-E325 WeakPolarHBondContact CE-OE1 3.32Å; K71-E325 IonicContact NZ-OE1 2.65Å; K71-E325 PolarHBondContact NZ-OE1 2.99Å; K71-E325 IonicContact NZ-OE2 3.79Å; K71-E325 PolarHBondContact NZ-OE2 2.9Å
72	Q	96.5	Very high	97.7	Very high	113 Å²	113	37.9 Å²	37.9	53%	0.528	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	69	24.5	174.2	-49.9	-174.3	73.7	0	0	115.9	A28 L68 V69 A70 K74	A28-Q72 HydrophobicContact CB-CB 4.18Å; L68-Q72 PolarHBondContact O-N 2.81Å; V69-Q72 PolarHBondContact O-N 3.35Å; A70-Q72 VanDerWaalsContact C-N 3.26Å; A70-Q72 PolarHBondContact O-N 3.33Å; Q72-K74 WeakPolarHBondContact O-CG 3.46Å; Q72-K74 PolarHBondContact O-N 3.4Å; Q72-K74 VanDerWaalsContact O-N 3.12Å
73	L	98.4	Very high	97.4	Very high	5 Å²	5	38 Å²	38	3%	0.026	21%	0.209	C	C	.	.			trans	-57.5	119	165.8	179.6	65.6	0	0	0	110	Y33 L65 L68 K71 S75 V76 L115 T320 L324	Y33-L73 HydrophobicContact CD1-CD2 4.41Å; L65-L73 HydrophobicContact CD2-CD2 3.93Å; L68-L73 HydrophobicContact CB-CB 4.04Å; L68-L73 HydrophobicContact CB-CD2 3.75Å; L68-L73 HydrophobicContact CD1-CD2 4.3Å; L68-L73 WeakPolarHBondContact O-CB 3.41Å; L68-L73 PolarHBondContact O-N 3.1Å; K71-L73 PolarHBondContact O-N 3.36Å; L73-S75 WeakPolarHBondContact CD1-O 3.02Å; L73-V76 HydrophobicContact CD2-CG1 3.86Å; L73-V76 HydrophobicContact CG-CG1 4.46Å; L73-L115 HydrophobicContact CG-CD1 4.24Å; L73-L115 WeakPolarHBondContact O-CD1 3.44Å; L73-T320 HydrophobicContact CD1-CG2 3.6Å; L73-L324 HydrophobicContact CB-CD1 3.76Å; L73-L324 HydrophobicContact CD1-CD1 4.15Å
74	K	98.5	Very high	97.1	Very high	87 Å²	87	41 Å²	41	38%	0.378	22%	0.22	S	C	.	.			trans	-100.7	-24.4	-176.8	-59.2	-56.4	-175.6	174.2	0	114.4	E29 Q72 I116	E29-K74 HydrophobicContact CG-CG 4.43Å; Q72-K74 WeakPolarHBondContact O-CG 3.46Å; Q72-K74 PolarHBondContact O-N 3.4Å; Q72-K74 VanDerWaalsContact O-N 3.12Å; K74-I116 PolarHBondContact O-N 3.16Å
75	S	98.8	Very high	96.9	Very high	11 Å²	11	45 Å²	45	8%	0.077	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	147	-174.3	68.3	0	0	0	0	113.6	L31 V32 Y33 L73 I116	L31-S75 PolarHBondContact O-OG 3.33Å; V32-S75 VanDerWaalsContact CA-OG 3.31Å; V32-S75 WeakPolarHBondContact CA-OG 3.1Å; V32-S75 WeakPolarHBondContact CG2-OG 3.42Å; Y33-S75 PolarHBondContact N-O 2.97Å; L73-S75 WeakPolarHBondContact CD1-O 3.02Å; S75-I116 VanDerWaalsContact CA-O 3.29Å; S75-I116 WeakPolarHBondContact CA-O 3.39Å
76	V	98.9	Very high	96.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.2	178.9	-63.4	0	0	0	0	110.7	Y33 I35 L65 L73 L78 L108 L115 I116 V117 I118	Y33-V76 CarbonylContact O-C 3.59Å; Y33-V76 VanDerWaalsContact O-CA 3.29Å; Y33-V76 WeakPolarHBondContact O-CA 3.45Å; I35-V76 HydrophobicContact CD1-CB 3.77Å; I35-V76 HydrophobicContact CD1-CG1 3.62Å; I35-V76 HydrophobicContact CD1-CG2 4.47Å; I35-V76 HydrophobicContact CG1-CB 4.44Å; L65-V76 HydrophobicContact CD1-CG1 4.23Å; L73-V76 HydrophobicContact CD2-CG1 3.86Å; L73-V76 HydrophobicContact CG-CG1 4.46Å; V76-L78 HydrophobicContact CB-CD2 4.4Å; V76-L78 HydrophobicContact CG2-CD2 3.94Å; V76-L108 HydrophobicContact CG2-CD1 4.07Å; V76-L115 HydrophobicContact CG1-CD1 4.33Å; V76-L115 HydrophobicContact CG1-CD2 4.06Å; V76-L115 HydrophobicContact CG2-CD2 4.01Å; V76-L115 HydrophobicContact CG2-CG 4.44Å; V76-I116 PolarHBondContact N-O 3.49Å; V76-V117 HydrophobicContact CG2-CG2 4.4Å; V76-I118 WeakPolarHBondContact O-CA 3.19Å; V76-I118 VanDerWaalsContact O-CB 3.27Å; V76-I118 WeakPolarHBondContact O-CB 3.46Å; V76-I118 WeakPolarHBondContact O-CG1 3.46Å; V76-I118 PolarHBondContact O-N 2.86Å
77	L	98.9	Very high	96.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	113.5	173	173.7	64.2	0	0	0	110	V32 Y33 P34 I35 F79 I118 D120 A166 Y276 I316	V32-L77 HydrophobicContact CG1-CB 3.77Å; Y33-L77 PolarHBondContact O-N 2.87Å; P34-L77 CarbonylContact C-O 3.52Å; P34-L77 WeakPolarHBondContact CA-O 3.25Å; I35-L77 PolarHBondContact N-O 3.16Å; L77-F79 HydrophobicContact CB-CE2 4.38Å; L77-F79 HydrophobicContact CD2-CE2 3.54Å; L77-F79 HydrophobicContact CD2-CZ 3.45Å; L77-F79 VanDerWaalsContact CD2-CZ 3.45Å; L77-F79 HydrophobicContact CG-CD2 4.33Å; L77-F79 HydrophobicContact CG-CE2 3.51Å; L77-F79 HydrophobicContact CG-CZ 3.77Å; L77-I118 CarbonylContact C-O 3.55Å; L77-I118 WeakPolarHBondContact CA-O 3.49Å; L77-I118 HydrophobicContact CB-CB 4.4Å; L77-I118 HydrophobicContact CD1-CB 3.93Å; L77-I118 HydrophobicContact CD1-CG2 3.52Å; L77-D120 HydrophobicContact CD1-CB 4.3Å; L77-A166 HydrophobicContact CD1-CB 4.31Å; L77-Y276 HydrophobicContact CD2-CE2 3.72Å; L77-I316 HydrophobicContact CD2-CD1 4.2Å; L77-I316 HydrophobicContact CD2-CG2 3.94Å
78	L	98.7	Very high	96.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.2	-173.5	-53.5	-174.3	0	0	0	111.9	I35 L37 V76 V101 A104 I105 L108 V117 I118 D120	I35-L78 HydrophobicContact CB-CD2 4.27Å; I35-L78 HydrophobicContact CD1-CD2 4.3Å; L37-L78 HydrophobicContact CD1-CB 3.98Å; L37-L78 HydrophobicContact CD1-CD1 4.21Å; L37-L78 HydrophobicContact CD1-CD2 4.21Å; L37-L78 HydrophobicContact CD1-CG 4.36Å; V76-L78 HydrophobicContact CB-CD2 4.4Å; V76-L78 HydrophobicContact CG2-CD2 3.94Å; L78-V101 HydrophobicContact CB-CG1 4.34Å; L78-V101 HydrophobicContact CD1-CG1 4.38Å; L78-A104 HydrophobicContact CD1-CB 4.02Å; L78-I105 HydrophobicContact CD1-CG1 4.05Å; L78-L108 HydrophobicContact CD1-CD1 4.21Å; L78-L108 HydrophobicContact CD2-CD1 4.04Å; L78-V117 HydrophobicContact CD1-CG1 3.57Å; L78-V117 HydrophobicContact CG-CG1 4.12Å; L78-I118 PolarHBondContact N-O 3.04Å; L78-D120 WeakPolarHBondContact O-CB 3.39Å; L78-D120 PolarHBondContact O-N 3.4Å; L78-D120 VanDerWaalsContact O-N 3.12Å
79	F	98.5	Very high	96.5	Very high	9 Å²	9	48.4 Å²	48.4	4%	0.039	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120	170.2	-63.6	-87.4	0	0	0	109.4	P34 I35 F36 L37 L77 D120 F208 Y276	P34-F79 HydrophobicContact CB-CD2 4.49Å; P34-F79 HydrophobicContact CB-CE2 4Å; I35-F79 PolarHBondContact O-N 3.4Å; F36-F79 HydrophobicContact CD1-CB 3.97Å; F36-F79 HydrophobicContact CD1-CG 4.46Å; F36-F79 HydrophobicContact CE1-CB 4.35Å; F36-F79 HydrophobicContact CE1-CD2 4.38Å; F36-F79 HydrophobicContact CE1-CG 4.38Å; L37-F79 PolarHBondContact N-O 3.49Å; L77-F79 HydrophobicContact CB-CE2 4.38Å; L77-F79 HydrophobicContact CD2-CE2 3.54Å; L77-F79 HydrophobicContact CD2-CZ 3.45Å; L77-F79 VanDerWaalsContact CD2-CZ 3.45Å; L77-F79 HydrophobicContact CG-CD2 4.33Å; L77-F79 HydrophobicContact CG-CE2 3.51Å; L77-F79 HydrophobicContact CG-CZ 3.77Å; F79-D120 HydrophobicContact CD1-CB 3.6Å; F79-D120 HydrophobicContact CE1-CB 3.49Å; F79-D120 VanDerWaalsContact CE1-CB 3.49Å; F79-D120 VanDerWaalsContact CE1-OD1 3.3Å; F79-D120 WeakPolarHBondContact CE1-OD1 3.47Å; F79-D120 HydrophobicContact CG-CB 4.4Å; F79-D120 HydrophobicContact CZ-CB 4.21Å; F79-F208 AromaticContact CD1-CE2 3.87Å; F79-F208 HydrophobicContact CD1-CE2 3.87Å; F79-F208 AromaticContact CD1-CZ 3.68Å; F79-F208 HydrophobicContact CD1-CZ 3.68Å; F79-F208 HydrophobicContact CD2-CE2 4.46Å; F79-F208 AromaticContact CE1-CE2 3.67Å; F79-F208 HydrophobicContact CE1-CE2 3.67Å; F79-F208 AromaticContact CE1-CZ 3.6Å; F79-F208 HydrophobicContact CE1-CZ 3.6Å; F79-F208 HydrophobicContact CE2-CE2 4.31Å; F79-F208 HydrophobicContact CG-CE2 4.25Å; F79-F208 HydrophobicContact CG-CZ 4.42Å; F79-F208 AromaticContact CZ-CE2 3.92Å; F79-F208 HydrophobicContact CZ-CE2 3.92Å; F79-F208 HydrophobicContact CZ-CZ 4.3Å; F79-Y276 WeakPolarHBondContact CE2-OH 2.67Å; F79-Y276 HydrophobicContact CZ-CE2 4.1Å; F79-Y276 WeakPolarHBondContact CZ-OH 3.43Å
80	G	97.2	Very high	96.5	Very high	4 Å²	4	48.6 Å²	48.6	4%	0.041	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	146	175	0	0	0	0	0	113	A125 Y126	G80-A125 WeakPolarHBondContact O-CB 3.42Å; G80-Y126 WeakPolarHBondContact CA-OH 3.48Å
81	T	93.5	Very high	96.4	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.7	171.2	60.5	0	0	0	0	109.6	L37 Q39	L37-T81 PolarHBondContact O-N 2.93Å; L37-T81 PolarHBondContact O-OG1 3.47Å; Q39-T81 PolarHBondContact N-O 3.47Å; Q39-T81 VanDerWaalsContact N-O 3.08Å
82	I	94.7	Very high	96.4	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	23%	0.23	C	C	.	.			trans	-119.8	161.9	179.5	57.1	155.2	0	0	0	110.6	Q86 K87 A93 Y126	I82-Q86 HydrophobicContact CD1-CB 3.82Å; I82-K87 HydrophobicContact CD1-CG 3.73Å; I82-K87 HydrophobicContact CG1-CG 4.11Å; I82-A93 HydrophobicContact CD1-CB 3.87Å; I82-Y126 HydrophobicContact CD1-CD1 3.91Å; I82-Y126 HydrophobicContact CG1-CD1 3.93Å; I82-Y126 HydrophobicContact CG1-CE1 4.46Å; I82-Y126 HydrophobicContact CG2-CD1 4.01Å; I82-Y126 HydrophobicContact CG2-CE1 3.82Å
83	S	92.3	Very high	96.4	Very high	40 Å²	40	38.4 Å²	38.4	28%	0.28	21%	0.209	S	C	.	.			trans	-64.8	153.6	173.7	68.2	0	0	0	0	111.3	D85 Q86	S83-D85 VanDerWaalsContact C-N 3.27Å; S83-D85 WeakPolarHBondContact CB-OD1 3.42Å; S83-D85 PolarHBondContact O-N 3.47Å; S83-D85 VanDerWaalsContact OG-CG 3.29Å; S83-D85 PolarHBondContact OG-OD1 3.22Å; S83-D85 PolarHBondContact OG-OD2 3.27Å; S83-Q86 PolarHBondContact O-N 2.88Å
84	K	91.8	Very high	96.4	Very high	179 Å²	179	38.2 Å²	38.2	78%	0.778	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-63	-34.1	-174.8	-72.5	-175.2	177.9	-177.9	0	112.8	Q86 K87	K84-Q86 PolarHBondContact O-N 3.11Å; K84-K87 WeakPolarHBondContact O-CB 3.42Å; K84-K87 PolarHBondContact O-N 2.73Å
85	D	93.5	Very high	96.3	Very high	135 Å²	135	35.6 Å²	35.6	72%	0.722	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-68	-14.8	179.4	55.3	-66.5	0	0	0	113.8	S83	S83-D85 VanDerWaalsContact C-N 3.27Å; S83-D85 WeakPolarHBondContact CB-OD1 3.42Å; S83-D85 PolarHBondContact O-N 3.47Å; S83-D85 VanDerWaalsContact OG-CG 3.29Å; S83-D85 PolarHBondContact OG-OD1 3.22Å; S83-D85 PolarHBondContact OG-OD2 3.27Å
86	Q	94.5	Very high	96.2	Very high	77 Å²	77	37.3 Å²	37.3	36%	0.36	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-99.1	-2.3	175.3	-66.9	-169.2	4.9	0	0	114	Q39 I82 S83 K84	Q39-Q86 VanDerWaalsContact CD-OE1 3.26Å; Q39-Q86 VanDerWaalsContact OE1-OE1 3.09Å; I82-Q86 HydrophobicContact CD1-CB 3.82Å; S83-Q86 PolarHBondContact O-N 2.88Å; K84-Q86 PolarHBondContact O-N 3.11Å
87	K	96.4	Very high	96	Very high	37 Å²	37	42.2 Å²	42.2	16%	0.161	24%	0.24	C	C	.	.			trans	-79	137	175.7	-64.6	-175	173	-152.4	0	109.6	I82 K84 A125 Y126 D128 Q213	I82-K87 HydrophobicContact CD1-CG 3.73Å; I82-K87 HydrophobicContact CG1-CG 4.11Å; K84-K87 WeakPolarHBondContact O-CB 3.42Å; K84-K87 PolarHBondContact O-N 2.73Å; K87-A125 WeakPolarHBondContact CE-O 3.31Å; K87-A125 PolarHBondContact NZ-O 3.19Å; K87-Y126 VanDerWaalsContact CA-O 3.27Å; K87-Y126 WeakPolarHBondContact CA-O 3.22Å; K87-D128 HydrophobicContact CB-CB 4.46Å; K87-Q213 PolarHBondContact NZ-O 3.21Å
88	D	96.9	Very high	95.8	Very high	43 Å²	43	47.5 Å²	47.5	23%	0.23	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-140	-177.1	179.4	65.7	22.9	0	0	0	111.9	T90 G91 S92 Y126 T127 D128	D88-T90 PolarHBondContact O-N 3.18Å; D88-T90 PolarHBondContact OD1-N 2.96Å; D88-G91 WeakPolarHBondContact OD1-CA 3.46Å; D88-G91 PolarHBondContact OD1-N 2.67Å; D88-S92 PolarHBondContact OD1-N 2.99Å; D88-S92 WeakPolarHBondContact OD2-CB 3.14Å; D88-S92 PolarHBondContact OD2-N 3.01Å; D88-S92 PolarHBondContact OD2-OG 3.36Å; D88-Y126 PolarHBondContact N-O 2.96Å; D88-T127 CarbonylContact O-C 3.53Å; D88-T127 WeakPolarHBondContact O-CA 3.25Å; D88-D128 PolarHBondContact O-N 2.95Å
89	A	96.4	Very high	95.7	Very high	58 Å²	58	47.6 Å²	47.6	48%	0.479	27%	0.268	S	S	.	.	S	Bend	trans	-67.8	-16.6	-176	0	0	0	0	0	114.6
90	T	96.8	Very high	95.6	Very high	45 Å²	45	47.3 Å²	47.3	28%	0.276	27%	0.268	S	S	.	.	S	Bend	trans	-122.3	-2.2	-171.4	63.5	0	0	0	0	114	D88 I134 R149	D88-T90 PolarHBondContact O-N 3.18Å; D88-T90 PolarHBondContact OD1-N 2.96Å; T90-I134 HydrophobicContact CG2-CD1 4.16Å; T90-R149 WeakPolarHBondContact O-CD 3.42Å; T90-R149 WeakPolarHBondContact O-CG 3.39Å; T90-R149 PolarHBondContact O-NE 3.19Å; T90-R149 VanDerWaalsContact O-NE 3.07Å
91	G	97	Very high	95.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.266	C	S	.	.			trans	64.6	42	-174.7	0	0	0	0	0	112.8	D88 A93 C94 R149	D88-G91 WeakPolarHBondContact OD1-CA 3.46Å; D88-G91 PolarHBondContact OD1-N 2.67Å; G91-A93 PolarHBondContact O-N 3.4Å; G91-C94 VanDerWaalsContact O-CB 3.26Å; G91-C94 WeakPolarHBondContact O-CB 3.29Å; G91-C94 PolarHBondContact O-N 3.41Å; G91-C94 VanDerWaalsContact O-N 3.14Å; G91-R149 PolarHBondContact O-NH2 3.38Å
92	S	96.9	Very high	95.9	Very high	56 Å²	56	47 Å²	47	39%	0.392	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-58.6	-31	-173.4	71.8	0	0	0	0	113.6	D88 C94 T96 R149	D88-S92 PolarHBondContact OD1-N 2.99Å; D88-S92 WeakPolarHBondContact OD2-CB 3.14Å; D88-S92 PolarHBondContact OD2-N 3.01Å; D88-S92 PolarHBondContact OD2-OG 3.36Å; S92-C94 PolarHBondContact O-N 2.91Å; S92-T96 WeakPolarHBondContact O-CG2 3.22Å; S92-R149 PolarHBondContact O-NH2 3.19Å
93	A	96.8	Very high	96	Very high	10 Å²	10	49.5 Å²	49.5	8%	0.083	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-66.5	-19.7	180	0	0	0	0	0	114.5	I82 G91 D95 T96 Y126	I82-A93 HydrophobicContact CD1-CB 3.87Å; G91-A93 PolarHBondContact O-N 3.4Å; A93-D95 VanDerWaalsContact C-N 3.35Å; A93-D95 PolarHBondContact O-N 2.74Å; A93-T96 PolarHBondContact O-N 3.48Å; A93-T96 PolarHBondContact O-OG1 3.37Å; A93-T96 VanDerWaalsContact O-OG1 3.05Å; A93-Y126 HydrophobicContact CB-CD1 4.45Å
94	C	97.3	Very high	96.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.007	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-59.2	-39.2	-169.1	-171.9	0	0	0	0	114.2	G91 S92 S99 Y126 I153 F157	G91-C94 VanDerWaalsContact O-CB 3.26Å; G91-C94 WeakPolarHBondContact O-CB 3.29Å; G91-C94 PolarHBondContact O-N 3.41Å; G91-C94 VanDerWaalsContact O-N 3.14Å; S92-C94 PolarHBondContact O-N 2.91Å; C94-S99 WeakPolarHBondContact O-CB 3.47Å; C94-S99 PolarHBondContact O-OG 2.97Å; C94-Y126 HydrophobicContact CB-CD1 3.86Å; C94-Y126 HydrophobicContact CB-CD2 3.77Å; C94-Y126 HydrophobicContact CB-CE1 4.09Å; C94-Y126 HydrophobicContact CB-CE2 4.03Å; C94-Y126 HydrophobicContact CB-CG 3.68Å; C94-Y126 VanDerWaalsContact SG-CD2 3.58Å; C94-Y126 WeakPolarHBondContact SG-CE2 3.47Å; C94-I153 HydrophobicContact CB-CD1 3.89Å; C94-I153 HydrophobicContact CB-CG1 4.12Å; C94-I153 VanDerWaalsContact SG-CG2 3.59Å; C94-F157 WeakPolarHBondContact O-CE1 3.43Å
95	D	97.3	Very high	96.6	Very high	32 Å²	32	39.1 Å²	39.1	17%	0.171	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-117.7	19.2	-172.2	65.5	-19.2	0	0	0	113	A93 R149 I153 R156	A93-D95 VanDerWaalsContact C-N 3.35Å; A93-D95 PolarHBondContact O-N 2.74Å; D95-R149 VanDerWaalsContact CG-NH1 3.34Å; D95-R149 VanDerWaalsContact CG-NH2 3.32Å; D95-R149 IonicContact OD1-CZ 3.1Å; D95-R149 IonicContact OD1-NH1 3.4Å; D95-R149 PolarHBondContact OD1-NH1 3.43Å; D95-R149 IonicContact OD1-NH2 2.77Å; D95-R149 PolarHBondContact OD1-NH2 3.19Å; D95-R149 IonicContact OD2-CZ 2.82Å; D95-R149 IonicContact OD2-NH1 3.49Å; D95-R149 PolarHBondContact OD2-NH1 3.49Å; D95-R149 IonicContact OD2-NH2 3.32Å; D95-I153 HydrophobicContact CB-CB 4.49Å; D95-I153 HydrophobicContact CB-CG1 4.09Å; D95-R156 HydrophobicContact CB-CB 3.81Å; D95-R156 HydrophobicContact CB-CG 3.86Å
96	T	96.8	Very high	96.8	Very high	48 Å²	48	37.6 Å²	37.6	29%	0.294	21%	0.213	S	C	.	.	S	Bend	trans	-77.9	157.5	172.8	67.2	0	0	0	0	111.5	S92 A93 N98 S99 I102	S92-T96 WeakPolarHBondContact O-CG2 3.22Å; A93-T96 PolarHBondContact O-N 3.48Å; A93-T96 PolarHBondContact O-OG1 3.37Å; A93-T96 VanDerWaalsContact O-OG1 3.05Å; T96-N98 PolarHBondContact O-N 2.96Å; T96-S99 WeakPolarHBondContact O-CB 3.47Å; T96-S99 PolarHBondContact O-N 2.78Å; T96-S99 PolarHBondContact OG1-N 2.66Å; T96-I102 VanDerWaalsContact O-CD1 3.31Å; T96-I102 WeakPolarHBondContact O-CD1 3.2Å
97	P	94.2	Very high	97	Very high	102 Å²	102	37 Å²	37	66%	0.662	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.3	172.9	-27	35.8	0	0	0	114.5	S99	P97-S99 VanDerWaalsContact C-N 3.33Å
98	N	93.5	Very high	97.1	Very high	112 Å²	112	35.3 Å²	35.3	60%	0.599	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	0.9	178	-67.3	-19.4	0	0	0	113.6	T96	T96-N98 PolarHBondContact O-N 2.96Å
99	S	96.7	Very high	97.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.007	20%	0.204	C	C	.	.			trans	-61.5	129.4	176	174.8	0	0	0	0	110.3	C94 T96 P97 V101 I102 Q103	C94-S99 WeakPolarHBondContact O-CB 3.47Å; C94-S99 PolarHBondContact O-OG 2.97Å; T96-S99 WeakPolarHBondContact O-CB 3.47Å; T96-S99 PolarHBondContact O-N 2.78Å; T96-S99 PolarHBondContact OG1-N 2.66Å; P97-S99 VanDerWaalsContact C-N 3.33Å; S99-V101 PolarHBondContact O-N 3.19Å; S99-V101 PolarHBondContact OG-N 3.25Å; S99-I102 PolarHBondContact O-N 3.19Å; S99-I102 VanDerWaalsContact O-N 3.13Å; S99-Q103 PolarHBondContact O-N 3.4Å; S99-Q103 VanDerWaalsContact O-N 3.08Å
100	P	97.4	Very high	97.3	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-30.1	179	24.5	-34	0	0	0	112.1	L37 S38 A104	L37-P100 HydrophobicContact CB-CB 3.89Å; S38-P100 WeakPolarHBondContact O-CB 3.44Å; P100-A104 WeakPolarHBondContact O-CB 3.44Å; P100-A104 PolarHBondContact O-N 3.39Å
101	V	98.2	Very high	97.3	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-48.4	175.6	178.6	0	0	0	0	110.7	L37 L78 S99 Q103 A104 I105 C119 F157	L37-V101 HydrophobicContact CD1-CG2 4.31Å; L78-V101 HydrophobicContact CB-CG1 4.34Å; L78-V101 HydrophobicContact CD1-CG1 4.38Å; S99-V101 PolarHBondContact O-N 3.19Å; S99-V101 PolarHBondContact OG-N 3.25Å; V101-Q103 PolarHBondContact O-N 3.05Å; V101-A104 PolarHBondContact O-N 3.49Å; V101-I105 HydrophobicContact CG1-CD1 3.97Å; V101-I105 HydrophobicContact CG1-CG1 4.33Å; V101-I105 VanDerWaalsContact O-CG1 3.28Å; V101-I105 WeakPolarHBondContact O-CG1 3.29Å; V101-I105 PolarHBondContact O-N 2.71Å; V101-C119 HydrophobicContact CG1-CB 4.34Å; V101-F157 HydrophobicContact CB-CE1 4.16Å; V101-F157 HydrophobicContact CB-CZ 3.98Å; V101-F157 HydrophobicContact CG1-CD1 4.33Å; V101-F157 HydrophobicContact CG1-CD2 4.37Å; V101-F157 HydrophobicContact CG1-CE1 3.94Å; V101-F157 HydrophobicContact CG1-CE2 3.96Å; V101-F157 HydrophobicContact CG1-CZ 3.73Å; V101-F157 HydrophobicContact CG2-CZ 4.45Å
102	I	98.1	Very high	97.4	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-62.5	-43.1	-179.3	-74.1	170.5	0	0	0	111.6	T96 S99 A104 I105 K106 R156 F157 E160	T96-I102 VanDerWaalsContact O-CD1 3.31Å; T96-I102 WeakPolarHBondContact O-CD1 3.2Å; S99-I102 PolarHBondContact O-N 3.19Å; S99-I102 VanDerWaalsContact O-N 3.13Å; I102-A104 VanDerWaalsContact C-N 3.34Å; I102-A104 PolarHBondContact O-N 3.44Å; I102-I105 PolarHBondContact O-N 3.25Å; I102-K106 WeakPolarHBondContact O-CG 3.28Å; I102-K106 PolarHBondContact O-N 3.3Å; I102-R156 HydrophobicContact CD1-CG 3.42Å; I102-R156 VanDerWaalsContact CD1-CG 3.42Å; I102-R156 HydrophobicContact CG1-CG 4.37Å; I102-F157 HydrophobicContact CD1-CD1 4.2Å; I102-F157 HydrophobicContact CD1-CE1 4.1Å; I102-F157 HydrophobicContact CG1-CD1 3.78Å; I102-F157 HydrophobicContact CG1-CE1 3.79Å; I102-E160 HydrophobicContact CD1-CG 4.41Å; I102-E160 HydrophobicContact CG1-CG 4.12Å; I102-E160 HydrophobicContact CG2-CB 4.38Å; I102-E160 HydrophobicContact CG2-CG 3.81Å
103	Q	97.8	Very high	97.4	Very high	58 Å²	58	43.8 Å²	43.8	27%	0.271	24%	0.239	S	C	.	.	H	α-helix	trans	-62.2	-43.8	176.2	-66.2	-177.8	19.1	0	0	111.4	C58 S99 V101 K106 L107	C58-Q103 HydrophobicContact CB-CB 4.07Å; C58-Q103 PolarHBondContact SG-OE1 3.04Å; S99-Q103 PolarHBondContact O-N 3.4Å; S99-Q103 VanDerWaalsContact O-N 3.08Å; V101-Q103 PolarHBondContact O-N 3.05Å; Q103-K106 PolarHBondContact O-N 3.31Å; Q103-L107 WeakPolarHBondContact O-CG 3.24Å; Q103-L107 PolarHBondContact O-N 3.28Å; Q103-L107 VanDerWaalsContact O-N 3.13Å
104	A	98.3	Very high	97.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-44.1	176.3	0	0	0	0	0	112.5	L37 I61 L78 P100 V101 I102 K106 L107 L108	L37-A104 HydrophobicContact CD1-CB 3.38Å; L37-A104 HydrophobicContact CD2-CB 4.03Å; L37-A104 HydrophobicContact CG-CB 4.34Å; I61-A104 HydrophobicContact CD1-CB 3.69Å; L78-A104 HydrophobicContact CD1-CB 4.02Å; P100-A104 WeakPolarHBondContact O-CB 3.44Å; P100-A104 PolarHBondContact O-N 3.39Å; V101-A104 PolarHBondContact O-N 3.49Å; I102-A104 VanDerWaalsContact C-N 3.34Å; I102-A104 PolarHBondContact O-N 3.44Å; A104-K106 VanDerWaalsContact C-N 3.33Å; A104-K106 PolarHBondContact O-N 3.33Å; A104-L107 PolarHBondContact O-N 3.48Å; A104-L108 WeakPolarHBondContact O-CB 3.38Å; A104-L108 WeakPolarHBondContact O-CG 3.5Å; A104-L108 PolarHBondContact O-N 3.02Å
105	I	98.5	Very high	97.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-53	-52.7	176.9	-65.6	162.7	0	0	0	109.8	L78 V101 I102 L107 L108 K109 V117 C119 F157 E160 A162	L78-I105 HydrophobicContact CD1-CG1 4.05Å; V101-I105 HydrophobicContact CG1-CD1 3.97Å; V101-I105 HydrophobicContact CG1-CG1 4.33Å; V101-I105 VanDerWaalsContact O-CG1 3.28Å; V101-I105 WeakPolarHBondContact O-CG1 3.29Å; V101-I105 PolarHBondContact O-N 2.71Å; I102-I105 PolarHBondContact O-N 3.25Å; I105-L107 PolarHBondContact O-N 2.93Å; I105-L108 PolarHBondContact O-N 2.93Å; I105-K109 HydrophobicContact CG2-CG 4.19Å; I105-K109 WeakPolarHBondContact O-CG 3.4Å; I105-K109 PolarHBondContact O-N 3.43Å; I105-V117 HydrophobicContact CG1-CG1 4.04Å; I105-C119 VanDerWaalsContact CD1-SG 3.56Å; I105-F157 HydrophobicContact CD1-CB 4.14Å; I105-F157 HydrophobicContact CD1-CD1 4.24Å; I105-F157 HydrophobicContact CD1-CG 4.26Å; I105-E160 HydrophobicContact CG2-CB 4.4Å; I105-E160 WeakPolarHBondContact CG2-O 3.2Å; I105-A162 HydrophobicContact CD1-CB 4.15Å
106	K	97.8	Very high	97.6	Very high	103 Å²	103	52.4 Å²	52.4	45%	0.448	28%	0.283	S	S	.	.	H	α-helix	trans	-57.8	-48.6	-178.5	-70.2	178.5	179.3	-178.1	0	112.5	I102 Q103 A104 S110 E160	I102-K106 WeakPolarHBondContact O-CG 3.28Å; I102-K106 PolarHBondContact O-N 3.3Å; Q103-K106 PolarHBondContact O-N 3.31Å; A104-K106 VanDerWaalsContact C-N 3.33Å; A104-K106 PolarHBondContact O-N 3.33Å; K106-S110 VanDerWaalsContact O-CB 3.3Å; K106-S110 WeakPolarHBondContact O-CB 3.38Å; K106-S110 PolarHBondContact O-N 3.11Å; K106-S110 VanDerWaalsContact O-N 3.09Å; K106-E160 WeakPolarHBondContact CE-OE2 3.49Å; K106-E160 IonicContact NZ-OE2 2.71Å; K106-E160 PolarHBondContact NZ-OE2 3.23Å
107	L	98.2	Very high	97.7	Very high	66 Å²	66	50.1 Å²	50.1	35%	0.346	27%	0.269	S	S	.	.	H	α-helix	trans	-63.2	-44.9	-179.7	-70.4	170.8	0	0	0	111.3	C58 I61 I62 Q103 A104 I105 S110 K111	C58-L107 HydrophobicContact CB-CD1 3.89Å; C58-L107 VanDerWaalsContact O-CD1 3.31Å; C58-L107 WeakPolarHBondContact O-CD1 3.39Å; I61-L107 HydrophobicContact CG2-CD1 4.23Å; I62-L107 HydrophobicContact CD1-CB 4.17Å; I62-L107 HydrophobicContact CG1-CB 4.42Å; Q103-L107 WeakPolarHBondContact O-CG 3.24Å; Q103-L107 PolarHBondContact O-N 3.28Å; Q103-L107 VanDerWaalsContact O-N 3.13Å; A104-L107 PolarHBondContact O-N 3.48Å; I105-L107 PolarHBondContact O-N 2.93Å; L107-S110 PolarHBondContact O-N 2.7Å; L107-K111 VanDerWaalsContact O-CB 3.31Å; L107-K111 WeakPolarHBondContact O-CB 3.36Å; L107-K111 PolarHBondContact O-N 3.37Å
108	L	98.6	Very high	97.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.9	-46.6	-178.4	-66.2	175.6	0	0	0	112.1	I61 I62 L65 V76 L78 A104 I105 S110 K111 F112 L115 V117	I61-L108 HydrophobicContact CD1-CD1 3.95Å; I61-L108 HydrophobicContact CD1-CD2 4.07Å; I61-L108 HydrophobicContact CD1-CG 4.13Å; I61-L108 HydrophobicContact CG1-CD2 4.38Å; I62-L108 HydrophobicContact CD1-CD2 4.05Å; L65-L108 HydrophobicContact CD1-CD1 4.49Å; L65-L108 HydrophobicContact CD1-CD2 3.49Å; L65-L108 VanDerWaalsContact CD1-CD2 3.49Å; V76-L108 HydrophobicContact CG2-CD1 4.07Å; L78-L108 HydrophobicContact CD1-CD1 4.21Å; L78-L108 HydrophobicContact CD2-CD1 4.04Å; A104-L108 WeakPolarHBondContact O-CB 3.38Å; A104-L108 WeakPolarHBondContact O-CG 3.5Å; A104-L108 PolarHBondContact O-N 3.02Å; I105-L108 PolarHBondContact O-N 2.93Å; L108-S110 VanDerWaalsContact C-N 3.26Å; L108-S110 PolarHBondContact O-N 3.04Å; L108-K111 PolarHBondContact O-N 3.07Å; L108-F112 HydrophobicContact CD2-CD2 3.95Å; L108-F112 HydrophobicContact CD2-CE2 4.25Å; L108-F112 CarbonylContact O-C 3.57Å; L108-F112 WeakPolarHBondContact O-CA 3.49Å; L108-F112 PolarHBondContact O-N 3.3Å; L108-L115 HydrophobicContact CD2-CD2 4.27Å; L108-V117 HydrophobicContact CB-CG2 3.95Å; L108-V117 HydrophobicContact CD1-CG2 4.15Å
109	K	98.2	Very high	98.2	Very high	51 Å²	51	40.1 Å²	40.1	22%	0.222	21%	0.21	C	C	.	.	H	α-helix	trans	-65.3	-31.2	178.1	-63.4	-50.3	-58.4	-174.1	0	112.4	I105 P113 L115 V117 G161 D163	I105-K109 HydrophobicContact CG2-CG 4.19Å; I105-K109 WeakPolarHBondContact O-CG 3.4Å; I105-K109 PolarHBondContact O-N 3.43Å; K109-P113 PolarHBondContact NZ-O 3.01Å; K109-L115 PolarHBondContact NZ-O 2.96Å; K109-V117 HydrophobicContact CD-CB 4.3Å; K109-V117 HydrophobicContact CD-CG2 3.72Å; K109-V117 HydrophobicContact CG-CG2 4.5Å; K109-G161 WeakPolarHBondContact CD-O 3.19Å; K109-G161 WeakPolarHBondContact CG-O 3.41Å; K109-D163 VanDerWaalsContact NZ-CG 3.29Å; K109-D163 IonicContact NZ-OD1 3.47Å; K109-D163 PolarHBondContact NZ-OD1 2.9Å; K109-D163 IonicContact NZ-OD2 4Å; K109-D163 PolarHBondContact NZ-OD2 3.3Å
110	S	98.1	Very high	98.3	Very high	103 Å²	103	41 Å²	41	72%	0.72	22%	0.215	S	C	*	.	H	α-helix	trans	-72	-43.9	174.3	177.2	0	0	0	0	112.6	K106 L107 L108	K106-S110 VanDerWaalsContact O-CB 3.3Å; K106-S110 WeakPolarHBondContact O-CB 3.38Å; K106-S110 PolarHBondContact O-N 3.11Å; K106-S110 VanDerWaalsContact O-N 3.09Å; L107-S110 PolarHBondContact O-N 2.7Å; L108-S110 VanDerWaalsContact C-N 3.26Å; L108-S110 PolarHBondContact O-N 3.04Å
111	K	98.4	Very high	98.3	Very high	122 Å²	122	40.9 Å²	40.9	53%	0.53	21%	0.214	S	C	.	.	H	α-helix	trans	-87.3	-35	-173.2	-175.9	63.6	174.6	-180	0	114	I62 L107 L108	I62-K111 HydrophobicContact CD1-CB 3.67Å; I62-K111 HydrophobicContact CD1-CG 3.93Å; I62-K111 HydrophobicContact CG1-CB 4.44Å; I62-K111 HydrophobicContact CG1-CG 4.44Å; I62-K111 HydrophobicContact CG2-CD 4.17Å; I62-K111 HydrophobicContact CG2-CG 3.71Å; L107-K111 VanDerWaalsContact O-CB 3.31Å; L107-K111 WeakPolarHBondContact O-CB 3.36Å; L107-K111 PolarHBondContact O-N 3.37Å; L108-K111 PolarHBondContact O-N 3.07Å
112	F	98.3	Very high	98.3	Very high	22 Å²	22	41 Å²	41	10%	0.096	22%	0.215	C	C	.	.			trans	-130.5	71.7	-175.7	-50.6	-62.1	0	0	0	109.3	I62 L65 V69 L108 D114 L115	I62-F112 HydrophobicContact CD1-CD2 4.29Å; I62-F112 HydrophobicContact CD1-CE2 3.79Å; I62-F112 HydrophobicContact CG2-CE2 4.49Å; I62-F112 HydrophobicContact CG2-CZ 4.3Å; L65-F112 HydrophobicContact CB-CE2 4.07Å; V69-F112 HydrophobicContact CB-CD1 4.28Å; V69-F112 HydrophobicContact CB-CE1 4.24Å; V69-F112 HydrophobicContact CG1-CD1 3.97Å; V69-F112 HydrophobicContact CG1-CE1 4.34Å; V69-F112 HydrophobicContact CG2-CD1 4.08Å; V69-F112 HydrophobicContact CG2-CD2 4.33Å; V69-F112 HydrophobicContact CG2-CE1 4.16Å; V69-F112 HydrophobicContact CG2-CE2 4.41Å; V69-F112 HydrophobicContact CG2-CG 4.16Å; V69-F112 HydrophobicContact CG2-CZ 4.33Å; L108-F112 HydrophobicContact CD2-CD2 3.95Å; L108-F112 HydrophobicContact CD2-CE2 4.25Å; L108-F112 CarbonylContact O-C 3.57Å; L108-F112 WeakPolarHBondContact O-CA 3.49Å; L108-F112 PolarHBondContact O-N 3.3Å; F112-D114 PolarHBondContact O-N 3.31Å; F112-D114 VanDerWaalsContact O-N 3.13Å; F112-L115 HydrophobicContact CB-CB 3.69Å; F112-L115 HydrophobicContact CB-CD2 4.3Å; F112-L115 HydrophobicContact CD2-CD2 4.32Å; F112-L115 WeakPolarHBondContact O-CB 3.48Å; F112-L115 PolarHBondContact O-N 3.43Å
113	P	97.5	Very high	98.3	Very high	82 Å²	82	41 Å²	41	53%	0.532	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.9	-173.5	21.9	-33.7	0	0	0	113.8	K109	K109-P113 PolarHBondContact NZ-O 3.01Å
114	D	97.6	Very high	98.1	Very high	151 Å²	151	38.6 Å²	38.6	81%	0.807	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-8.1	179.1	-58.3	-38.6	0	0	0	113.9	F112 I116	F112-D114 PolarHBondContact O-N 3.31Å; F112-D114 VanDerWaalsContact O-N 3.13Å; D114-I116 PolarHBondContact O-N 2.9Å
115	L	98.6	Very high	98	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	21%	0.209	C	C	.	.	S	Bend	trans	-75.4	126.4	176.6	-173.2	73.9	0	0	0	109.3	L65 V69 L73 V76 L108 K109 F112 V117	L65-L115 HydrophobicContact CD1-CD2 4.39Å; V69-L115 HydrophobicContact CG2-CD1 4.32Å; L73-L115 HydrophobicContact CG-CD1 4.24Å; L73-L115 WeakPolarHBondContact O-CD1 3.44Å; V76-L115 HydrophobicContact CG1-CD1 4.33Å; V76-L115 HydrophobicContact CG1-CD2 4.06Å; V76-L115 HydrophobicContact CG2-CD2 4.01Å; V76-L115 HydrophobicContact CG2-CG 4.44Å; L108-L115 HydrophobicContact CD2-CD2 4.27Å; K109-L115 PolarHBondContact NZ-O 2.96Å; F112-L115 HydrophobicContact CB-CB 3.69Å; F112-L115 HydrophobicContact CB-CD2 4.3Å; F112-L115 HydrophobicContact CD2-CD2 4.32Å; F112-L115 WeakPolarHBondContact O-CB 3.48Å; F112-L115 PolarHBondContact O-N 3.43Å; L115-V117 PolarHBondContact O-N 3.34Å
116	I	98.7	Very high	97.9	Very high	70 Å²	70	39.7 Å²	39.7	36%	0.359	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	118.4	174.5	-58.9	-58.8	0	0	0	109.4	K74 S75 V76 D114 I118 D163 V164	K74-I116 PolarHBondContact O-N 3.16Å; S75-I116 VanDerWaalsContact CA-O 3.29Å; S75-I116 WeakPolarHBondContact CA-O 3.39Å; V76-I116 PolarHBondContact N-O 3.49Å; D114-I116 PolarHBondContact O-N 2.9Å; I116-I118 HydrophobicContact CG2-CG1 4.1Å; I116-D163 HydrophobicContact CG2-CB 4.09Å; I116-V164 HydrophobicContact CG2-CG2 4.15Å
117	V	98.8	Very high	97.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	105.3	179.6	-178.3	0	0	0	0	109.6	V76 L78 I105 L108 K109 L115 D163 V164	V76-V117 HydrophobicContact CG2-CG2 4.4Å; L78-V117 HydrophobicContact CD1-CG1 3.57Å; L78-V117 HydrophobicContact CG-CG1 4.12Å; I105-V117 HydrophobicContact CG1-CG1 4.04Å; L108-V117 HydrophobicContact CB-CG2 3.95Å; L108-V117 HydrophobicContact CD1-CG2 4.15Å; K109-V117 HydrophobicContact CD-CB 4.3Å; K109-V117 HydrophobicContact CD-CG2 3.72Å; K109-V117 HydrophobicContact CG-CG2 4.5Å; L115-V117 PolarHBondContact O-N 3.34Å; V117-D163 PolarHBondContact N-OD2 3.32Å; V117-D163 PolarHBondContact O-N 3.05Å; V117-V164 PolarHBondContact O-N 3.07Å
118	I	98.9	Very high	97.6	Very high	4 Å²	4	36 Å²	36	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133	173.6	-45.8	179.6	0	0	0	108.1	V32 V76 L77 L78 I116 V164 A166 M194	V32-I118 HydrophobicContact CG1-CD1 3.86Å; V32-I118 HydrophobicContact CG2-CD1 3.98Å; V76-I118 WeakPolarHBondContact O-CA 3.19Å; V76-I118 VanDerWaalsContact O-CB 3.27Å; V76-I118 WeakPolarHBondContact O-CB 3.46Å; V76-I118 WeakPolarHBondContact O-CG1 3.46Å; V76-I118 PolarHBondContact O-N 2.86Å; L77-I118 CarbonylContact C-O 3.55Å; L77-I118 WeakPolarHBondContact CA-O 3.49Å; L77-I118 HydrophobicContact CB-CB 4.4Å; L77-I118 HydrophobicContact CD1-CB 3.93Å; L77-I118 HydrophobicContact CD1-CG2 3.52Å; L78-I118 PolarHBondContact N-O 3.04Å; I116-I118 HydrophobicContact CG2-CG1 4.1Å; I118-V164 WeakPolarHBondContact CA-O 3.48Å; I118-V164 HydrophobicContact CB-CB 4.2Å; I118-V164 HydrophobicContact CG1-CB 3.96Å; I118-V164 HydrophobicContact CG1-CG2 4.17Å; I118-V164 HydrophobicContact CG2-CB 3.92Å; I118-V164 HydrophobicContact CG2-CG1 3.96Å; I118-A166 HydrophobicContact CG2-CB 3.77Å; I118-M194 HydrophobicContact CD1-CE 4.2Å; I118-M194 HydrophobicContact CD1-SD 4.47Å
119	C	98.8	Very high	97.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.9	177.8	-63.2	0	0	0	0	110.8	V101 I105 V121 F157 A162 V164 A166	V101-C119 HydrophobicContact CG1-CB 4.34Å; I105-C119 VanDerWaalsContact CD1-SG 3.56Å; C119-V121 PolarHBondContact O-N 3.17Å; C119-F157 HydrophobicContact CB-CD2 3.63Å; C119-F157 HydrophobicContact CB-CE2 4.17Å; C119-F157 HydrophobicContact CB-CG 4.35Å; C119-A162 HydrophobicContact CB-CB 4.43Å; C119-V164 PolarHBondContact N-O 3.48Å; C119-A166 PolarHBondContact O-N 3.01Å
120	D	98.7	Very high	97.1	Very high	20 Å²	20	34 Å²	34	11%	0.107	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	129.3	167.8	-165.6	85.3	0	0	0	109.2	L77 L78 F79 S168 Y196	L77-D120 HydrophobicContact CD1-CB 4.3Å; L78-D120 WeakPolarHBondContact O-CB 3.39Å; L78-D120 PolarHBondContact O-N 3.4Å; L78-D120 VanDerWaalsContact O-N 3.12Å; F79-D120 HydrophobicContact CD1-CB 3.6Å; F79-D120 HydrophobicContact CE1-CB 3.49Å; F79-D120 VanDerWaalsContact CE1-CB 3.49Å; F79-D120 VanDerWaalsContact CE1-OD1 3.3Å; F79-D120 WeakPolarHBondContact CE1-OD1 3.47Å; F79-D120 HydrophobicContact CG-CB 4.4Å; F79-D120 HydrophobicContact CZ-CB 4.21Å; D120-S168 WeakPolarHBondContact OD1-CB 3.47Å; D120-S168 PolarHBondContact OD1-OG 3.04Å; D120-S168 PolarHBondContact OD2-OG 3.2Å; D120-Y196 WeakPolarHBondContact OD1-CE2 3.29Å; D120-Y196 VanDerWaalsContact OD1-CZ 3.32Å; D120-Y196 PolarHBondContact OD1-OH 3.16Å
121	V	98.6	Very high	97	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	112	174.1	174.6	0	0	0	0	108.9	C119 L150 I153 F157 I165 A166 P167 S168	C119-V121 PolarHBondContact O-N 3.17Å; V121-L150 HydrophobicContact CG1-CB 4.38Å; V121-L150 HydrophobicContact CG1-CD2 3.88Å; V121-I153 HydrophobicContact CG1-CB 4.33Å; V121-I153 HydrophobicContact CG1-CG2 4.03Å; V121-I153 HydrophobicContact CG2-CG2 4.25Å; V121-F157 HydrophobicContact CG2-CD2 3.75Å; V121-F157 HydrophobicContact CG2-CE2 3.96Å; V121-I165 HydrophobicContact CB-CG2 4.28Å; V121-I165 HydrophobicContact CG2-CG2 3.64Å; V121-A166 PolarHBondContact N-O 2.8Å; V121-P167 WeakPolarHBondContact O-CA 3.26Å; V121-S168 PolarHBondContact O-N 2.87Å
122	C	97.8	Very high	96.9	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.034	13%	0.133	C	C	.	.			trans	-165	158.4	179.4	-164.1	0	0	0	0	109.8	S168	C122-S168 WeakPolarHBondContact CB-OG 3.44Å
123	L	97.2	Very high	96.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-92.6	-17.7	180	-57.3	-173.1	0	0	0	113.6	A125 Y126 T127 I134 T146 R149 L150 I153	L123-A125 VanDerWaalsContact C-N 3.27Å; L123-A125 PolarHBondContact O-N 2.89Å; L123-A125 VanDerWaalsContact O-N 3.09Å; L123-Y126 CarbonylContact O-C 3.6Å; L123-Y126 WeakPolarHBondContact O-CA 3.39Å; L123-Y126 PolarHBondContact O-N 2.92Å; L123-T127 HydrophobicContact CB-CG2 3.73Å; L123-T127 PolarHBondContact O-N 3.19Å; L123-T127 PolarHBondContact O-OG1 2.84Å; L123-I134 HydrophobicContact CD1-CG1 3.8Å; L123-T146 HydrophobicContact CD1-CG2 4.43Å; L123-R149 HydrophobicContact CD1-CB 4.43Å; L123-R149 HydrophobicContact CD1-CG 4.08Å; L123-R149 HydrophobicContact CD2-CG 3.76Å; L123-L150 HydrophobicContact CD2-CD2 4.29Å; L123-L150 HydrophobicContact CG-CD2 4.13Å; L123-I153 HydrophobicContact CD2-CD1 3.36Å
124	C	95.4	Very high	96.8	Very high	8 Å²	8	19.3 Å²	19.3	5%	0.054	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.7	-165.7	60.8	0	0	0	0	116.3	Y126 G130 H131 R221	C124-Y126 VanDerWaalsContact C-N 3.3Å; C124-G130 WeakPolarHBondContact CB-O 3.27Å; C124-H131 VanDerWaalsContact CA-O 3.22Å; C124-H131 WeakPolarHBondContact CA-O 3.34Å; C124-H131 WeakPolarHBondContact CB-O 3.32Å; C124-H131 PolarHBondContact N-O 3.09Å; C124-R221 VanDerWaalsContact CB-NH2 3.32Å
125	A	94.3	Very high	96.7	Very high	11 Å²	11	14 Å²	14	9%	0.091	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-13.1	173.9	0	0	0	0	0	112.5	G80 K87 L123	G80-A125 WeakPolarHBondContact O-CB 3.42Å; K87-A125 WeakPolarHBondContact CE-O 3.31Å; K87-A125 PolarHBondContact NZ-O 3.19Å; L123-A125 VanDerWaalsContact C-N 3.27Å; L123-A125 PolarHBondContact O-N 2.89Å; L123-A125 VanDerWaalsContact O-N 3.09Å
126	Y	96.8	Very high	96.5	Very high	11 Å²	11	19.7 Å²	19.7	4%	0.043	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-14.2	-172	-55.3	-83.3	0	0	0	113.2	G80 I82 K87 D88 A93 C94 L123 C124	G80-Y126 WeakPolarHBondContact CA-OH 3.48Å; I82-Y126 HydrophobicContact CD1-CD1 3.91Å; I82-Y126 HydrophobicContact CG1-CD1 3.93Å; I82-Y126 HydrophobicContact CG1-CE1 4.46Å; I82-Y126 HydrophobicContact CG2-CD1 4.01Å; I82-Y126 HydrophobicContact CG2-CE1 3.82Å; K87-Y126 VanDerWaalsContact CA-O 3.27Å; K87-Y126 WeakPolarHBondContact CA-O 3.22Å; D88-Y126 PolarHBondContact N-O 2.96Å; A93-Y126 HydrophobicContact CB-CD1 4.45Å; C94-Y126 HydrophobicContact CB-CD1 3.86Å; C94-Y126 HydrophobicContact CB-CD2 3.77Å; C94-Y126 HydrophobicContact CB-CE1 4.09Å; C94-Y126 HydrophobicContact CB-CE2 4.03Å; C94-Y126 HydrophobicContact CB-CG 3.68Å; C94-Y126 VanDerWaalsContact SG-CD2 3.58Å; C94-Y126 WeakPolarHBondContact SG-CE2 3.47Å; L123-Y126 CarbonylContact O-C 3.6Å; L123-Y126 WeakPolarHBondContact O-CA 3.39Å; L123-Y126 PolarHBondContact O-N 2.92Å; C124-Y126 VanDerWaalsContact C-N 3.3Å
127	T	96.2	Very high	96.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-92	145.5	177.8	52.4	0	0	0	0	113.3	D88 L123 S129 G130 H131	D88-T127 CarbonylContact O-C 3.53Å; D88-T127 WeakPolarHBondContact O-CA 3.25Å; L123-T127 HydrophobicContact CB-CG2 3.73Å; L123-T127 PolarHBondContact O-N 3.19Å; L123-T127 PolarHBondContact O-OG1 2.84Å; T127-S129 VanDerWaalsContact C-N 3.28Å; T127-S129 PolarHBondContact O-N 3.05Å; T127-G130 PolarHBondContact O-N 3.1Å; T127-G130 PolarHBondContact OG1-N 3.45Å; T127-H131 PolarHBondContact OG1-O 3.08Å; T127-H131 VanDerWaalsContact OG1-O 3.09Å
128	D	93.7	Very high	95.9	Very high	92 Å²	92	29.6 Å²	29.6	49%	0.492	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-32.4	173.9	56.6	6.6	0	0	0	112.6	K87 D88 G130	K87-D128 HydrophobicContact CB-CB 4.46Å; D88-D128 PolarHBondContact O-N 2.95Å; D128-G130 VanDerWaalsContact C-N 3.3Å; D128-G130 PolarHBondContact O-N 3.25Å
129	S	93.3	Very high	95.5	Very high	8 Å²	8	31 Å²	31	6%	0.056	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-23.2	175.5	74.3	0	0	0	0	113.1	T127 H131 S217	T127-S129 VanDerWaalsContact C-N 3.28Å; T127-S129 PolarHBondContact O-N 3.05Å; S129-H131 PolarHBondContact O-N 3.03Å; S129-H131 VanDerWaalsContact O-N 3.14Å; S129-H131 PolarHBondContact OG-N 3.15Å; S129-S217 WeakPolarHBondContact CA-OG 3.41Å; S129-S217 PolarHBondContact O-N 2.94Å; S129-S217 PolarHBondContact O-OG 3.15Å; S129-S217 VanDerWaalsContact O-OG 3.08Å
130	G	93.2	Very high	95.2	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.021	19%	0.185	C	C	.	.			trans	64.8	8.6	-172.1	0	0	0	0	0	114.2	C124 T127 D128 R221	C124-G130 WeakPolarHBondContact CB-O 3.27Å; T127-G130 PolarHBondContact O-N 3.1Å; T127-G130 PolarHBondContact OG1-N 3.45Å; D128-G130 VanDerWaalsContact C-N 3.3Å; D128-G130 PolarHBondContact O-N 3.25Å; G130-R221 PolarHBondContact O-NH2 3.01Å
131	H	95.2	Very high	95	Very high	11 Å²	11	34.7 Å²	34.7	5%	0.051	19%	0.19	C	C	.	.			trans	-79.9	159.6	171.4	-76	-78.9	0	0	0	111.4	C124 T127 S129 G133 L135 F218 D220 Y224	C124-H131 VanDerWaalsContact CA-O 3.22Å; C124-H131 WeakPolarHBondContact CA-O 3.34Å; C124-H131 WeakPolarHBondContact CB-O 3.32Å; C124-H131 PolarHBondContact N-O 3.09Å; T127-H131 PolarHBondContact OG1-O 3.08Å; T127-H131 VanDerWaalsContact OG1-O 3.09Å; S129-H131 PolarHBondContact O-N 3.03Å; S129-H131 VanDerWaalsContact O-N 3.14Å; S129-H131 PolarHBondContact OG-N 3.15Å; H131-G133 PolarHBondContact O-N 3.11Å; H131-L135 HydrophobicContact CB-CD2 4.28Å; H131-F218 AromaticContact NE2-CE2 3.88Å; H131-F218 PolarHBondContact NE2-O 2.77Å; H131-D220 PolarHBondContact CE1-O 3.48Å; H131-Y224 AromaticContact ND1-CE1 3.96Å; H131-Y224 PolarHBondContact ND1-OH 2.92Å
132	C	96.2	Very high	95	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-79.8	-4.5	-175.8	-65.9	0	0	0	0	113.9	D169 M171 Y224	C132-D169 HydrophobicContact CB-CB 4.23Å; C132-M171 HydrophobicContact CB-CE 4.15Å; C132-Y224 HydrophobicContact CB-CD2 4.42Å; C132-Y224 HydrophobicContact CB-CE2 3.69Å; C132-Y224 PolarHBondContact N-OH 2.98Å
133	G	96.7	Very high	94.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-139.7	173.5	-179.8	0	0	0	0	0	112.1	H131 T146	H131-G133 PolarHBondContact O-N 3.11Å; G133-T146 VanDerWaalsContact CA-CG2 3.47Å; G133-T146 WeakPolarHBondContact CA-OG1 3.27Å
134	I	97.2	Very high	94.9	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.046	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-74	138.9	172.8	-62	176.7	0	0	0	108.3	T90 L123 D142 R145 T146 R149	T90-I134 HydrophobicContact CG2-CD1 4.16Å; L123-I134 HydrophobicContact CD1-CG1 3.8Å; I134-D142 HydrophobicContact CG2-CB 4.47Å; I134-D142 PolarHBondContact O-N 2.92Å; I134-R145 HydrophobicContact CD1-CB 4.1Å; I134-T146 PolarHBondContact N-OG1 3.16Å; I134-R149 HydrophobicContact CD1-CB 3.94Å; I134-R149 HydrophobicContact CD1-CG 4.36Å
135	L	96.1	Very high	95.1	Very high	39 Å²	39	48.4 Å²	48.4	20%	0.204	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-102.9	147	179.2	-56.4	-178.4	0	0	0	110.8	H131 C140 L141 F218	H131-L135 HydrophobicContact CB-CD2 4.28Å; L135-C140 CarbonylContact C-O 3.38Å; L135-C140 WeakPolarHBondContact CA-O 3.34Å; L135-L141 HydrophobicContact CD2-CD2 3.78Å; L135-L141 HydrophobicContact CD2-CG 4.2Å; L135-F218 HydrophobicContact CD1-CE1 4.01Å; L135-F218 HydrophobicContact CD1-CE2 4.44Å; L135-F218 HydrophobicContact CD1-CZ 3.47Å; L135-F218 VanDerWaalsContact CD1-CZ 3.47Å
136	R	95.3	Very high	95.3	Very high	124 Å²	124	47.9 Å²	47.9	47%	0.468	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-82	171.4	165.6	-55.9	-173.6	-55.3	-163.4	0.4	110	D138 G139 C140 D142	R136-D138 WeakPolarHBondContact CB-OD1 3.35Å; R136-D138 IonicContact CZ-OD1 3.93Å; R136-D138 IonicContact CZ-OD2 3.05Å; R136-D138 IonicContact NE-OD1 3.04Å; R136-D138 PolarHBondContact NE-OD1 3.06Å; R136-D138 VanDerWaalsContact NE-OD1 3.12Å; R136-D138 IonicContact NE-OD2 3.34Å; R136-D138 IonicContact NH2-OD1 3.99Å; R136-D138 PolarHBondContact NH2-OD1 3.26Å; R136-D138 IonicContact NH2-OD2 2.78Å; R136-D138 PolarHBondContact NH2-OD2 3Å; R136-D138 PolarHBondContact O-N 2.92Å; R136-D138 VanDerWaalsContact O-N 3.14Å; R136-G139 PolarHBondContact O-N 3.34Å; R136-C140 PolarHBondContact N-O 2.85Å; R136-D142 HydrophobicContact CG-CB 3.78Å
137	D	92.6	Very high	95.3	Very high	181 Å²	181	48.5 Å²	48.5	97%	0.968	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.8	177.6	-59	-20.1	0	0	0	113.2	G139	D137-G139 VanDerWaalsContact C-N 3.26Å; D137-G139 PolarHBondContact O-N 3.49Å
138	D	92.6	Very high	95.5	Very high	96 Å²	96	53.2 Å²	53.2	51%	0.513	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	3	175.9	73.3	-10	0	0	0	114	R136 C140	R136-D138 WeakPolarHBondContact CB-OD1 3.35Å; R136-D138 IonicContact CZ-OD1 3.93Å; R136-D138 IonicContact CZ-OD2 3.05Å; R136-D138 IonicContact NE-OD1 3.04Å; R136-D138 PolarHBondContact NE-OD1 3.06Å; R136-D138 VanDerWaalsContact NE-OD1 3.12Å; R136-D138 IonicContact NE-OD2 3.34Å; R136-D138 IonicContact NH2-OD1 3.99Å; R136-D138 PolarHBondContact NH2-OD1 3.26Å; R136-D138 IonicContact NH2-OD2 2.78Å; R136-D138 PolarHBondContact NH2-OD2 3Å; R136-D138 PolarHBondContact O-N 2.92Å; R136-D138 VanDerWaalsContact O-N 3.14Å; D138-C140 PolarHBondContact O-N 2.59Å; D138-C140 WeakPolarHBondContact OD1-CB 3.48Å; D138-C140 PolarHBondContact OD1-N 3.14Å
139	G	89.8	Confident	95.7	Very high	33 Å²	33	49.8 Å²	49.8	34%	0.34	26%	0.261	S	S	.	.	S	Bend	trans	78.1	-1.3	-178.2	0	0	0	0	0	114.8	R136 D137	R136-G139 PolarHBondContact O-N 3.34Å; D137-G139 VanDerWaalsContact C-N 3.26Å; D137-G139 PolarHBondContact O-N 3.49Å
140	C	92.5	Very high	96	Very high	60 Å²	60	49.4 Å²	49.4	41%	0.405	26%	0.258	S	S	.	.			trans	-78.6	158	173.4	-61.9	0	0	0	0	111.3	L135 R136 D138 D142	L135-C140 CarbonylContact C-O 3.38Å; L135-C140 WeakPolarHBondContact CA-O 3.34Å; R136-C140 PolarHBondContact N-O 2.85Å; D138-C140 PolarHBondContact O-N 2.59Å; D138-C140 WeakPolarHBondContact OD1-CB 3.48Å; D138-C140 PolarHBondContact OD1-N 3.14Å; C140-D142 PolarHBondContact O-N 3.27Å
141	L	94.9	Very high	96.2	Very high	39 Å²	39	49.6 Å²	49.6	20%	0.204	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-69.2	129	175.5	-71.9	160.1	0	0	0	111.4	L135 V143 M171 Y224	L135-L141 HydrophobicContact CD2-CD2 3.78Å; L135-L141 HydrophobicContact CD2-CG 4.2Å; L141-V143 PolarHBondContact O-N 3.44Å; L141-M171 HydrophobicContact CD1-CE 3.66Å; L141-M171 HydrophobicContact CD1-SD 3.82Å; L141-M171 HydrophobicContact CD2-CE 3.6Å; L141-M171 HydrophobicContact CD2-SD 4.22Å; L141-M171 HydrophobicContact CG-CE 4.24Å; L141-M171 HydrophobicContact CG-SD 4.45Å; L141-Y224 HydrophobicContact CD1-CD1 3.54Å; L141-Y224 HydrophobicContact CD1-CE1 4.1Å; L141-Y224 HydrophobicContact CD1-CG 4.18Å
142	D	97.1	Very high	96.4	Very high	31 Å²	31	53.8 Å²	53.8	17%	0.166	28%	0.279	C	S	.	.			trans	-85.2	88.5	165.4	-167.7	-38.1	0	0	0	108.8	I134 R136 C140 P144 R145 T146	I134-D142 HydrophobicContact CG2-CB 4.47Å; I134-D142 PolarHBondContact O-N 2.92Å; R136-D142 HydrophobicContact CG-CB 3.78Å; C140-D142 PolarHBondContact O-N 3.27Å; D142-P144 WeakPolarHBondContact OD1-CD 3.27Å; D142-R145 HydrophobicContact CB-CB 4.24Å; D142-R145 WeakPolarHBondContact OD1-CB 3.46Å; D142-R145 WeakPolarHBondContact OD1-CG 3.34Å; D142-R145 PolarHBondContact OD1-N 3.05Å; D142-R145 WeakPolarHBondContact OD2-CD 3.47Å; D142-R145 WeakPolarHBondContact OD2-CG 3.43Å; D142-T146 VanDerWaalsContact O-CB 3.24Å; D142-T146 WeakPolarHBondContact O-CB 3.45Å; D142-T146 PolarHBondContact O-N 3.35Å; D142-T146 PolarHBondContact O-OG1 3.39Å
143	V	96.9	Very high	96.5	Very high	49 Å²	49	53.8 Å²	53.8	30%	0.297	28%	0.279	S	S	.	.	H	α-helix	trans	-58.1	-52.5	-176.7	176	0	0	0	0	111.4	L141 R145 T146 L147	L141-V143 PolarHBondContact O-N 3.44Å; V143-R145 PolarHBondContact O-N 2.83Å; V143-T146 WeakPolarHBondContact O-CB 3.1Å; V143-T146 PolarHBondContact O-N 2.95Å; V143-T146 VanDerWaalsContact O-N 3.14Å; V143-L147 HydrophobicContact CG1-CD1 4.39Å; V143-L147 HydrophobicContact CG1-CD2 4.38Å; V143-L147 HydrophobicContact CG1-CG 4.13Å; V143-L147 VanDerWaalsContact O-CG 3.32Å; V143-L147 WeakPolarHBondContact O-CG 3.38Å; V143-L147 PolarHBondContact O-N 2.86Å
144	P	97.9	Very high	96.6	Very high	88 Å²	88	53.8 Å²	53.8	57%	0.571	28%	0.279	S	S	*	.	H	α-helix	trans	-54.4	-50	179.8	-27.8	36.3	0	0	0	114.2	D142 T146 L147 E148	D142-P144 WeakPolarHBondContact OD1-CD 3.27Å; P144-T146 VanDerWaalsContact C-N 3.3Å; P144-T146 PolarHBondContact O-N 3.45Å; P144-L147 PolarHBondContact O-N 2.92Å; P144-E148 PolarHBondContact O-N 3.06Å; P144-E148 VanDerWaalsContact O-N 3.16Å
145	R	97.8	Very high	96.7	Very high	132 Å²	132	56.7 Å²	56.7	50%	0.498	29%	0.291	S	S	.	.	H	α-helix	trans	-65.7	-36.2	179	-66.6	-178.7	76.6	-171.6	1.2	111.7	I134 D142 V143 E148 R149	I134-R145 HydrophobicContact CD1-CB 4.1Å; D142-R145 HydrophobicContact CB-CB 4.24Å; D142-R145 WeakPolarHBondContact OD1-CB 3.46Å; D142-R145 WeakPolarHBondContact OD1-CG 3.34Å; D142-R145 PolarHBondContact OD1-N 3.05Å; D142-R145 WeakPolarHBondContact OD2-CD 3.47Å; D142-R145 WeakPolarHBondContact OD2-CG 3.43Å; V143-R145 PolarHBondContact O-N 2.83Å; R145-E148 PolarHBondContact O-N 2.95Å; R145-R149 PolarHBondContact O-N 3.12Å
146	T	98.5	Very high	96.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-46	175.2	-59.9	0	0	0	0	111.2	L123 G133 I134 D142 V143 P144 E148 R149 L150 M171	L123-T146 HydrophobicContact CD1-CG2 4.43Å; G133-T146 VanDerWaalsContact CA-CG2 3.47Å; G133-T146 WeakPolarHBondContact CA-OG1 3.27Å; I134-T146 PolarHBondContact N-OG1 3.16Å; D142-T146 VanDerWaalsContact O-CB 3.24Å; D142-T146 WeakPolarHBondContact O-CB 3.45Å; D142-T146 PolarHBondContact O-N 3.35Å; D142-T146 PolarHBondContact O-OG1 3.39Å; V143-T146 WeakPolarHBondContact O-CB 3.1Å; V143-T146 PolarHBondContact O-N 2.95Å; V143-T146 VanDerWaalsContact O-N 3.14Å; P144-T146 VanDerWaalsContact C-N 3.3Å; P144-T146 PolarHBondContact O-N 3.45Å; T146-E148 VanDerWaalsContact C-N 3.32Å; T146-E148 PolarHBondContact O-N 3.35Å; T146-R149 PolarHBondContact O-N 3.44Å; T146-L150 HydrophobicContact CG2-CD1 3.77Å; T146-L150 HydrophobicContact CG2-CG 4.16Å; T146-L150 VanDerWaalsContact O-CG 3.26Å; T146-L150 WeakPolarHBondContact O-CG 3.48Å; T146-L150 PolarHBondContact O-N 3.28Å; T146-M171 HydrophobicContact CG2-CG 3.75Å; T146-M171 HydrophobicContact CG2-SD 4.5Å
147	L	98.6	Very high	96.9	Very high	24 Å²	24	53.7 Å²	53.7	13%	0.126	28%	0.277	C	S	.	.	H	α-helix	trans	-61.8	-41.3	179.6	-61.9	-163	0	0	0	111.9	V143 P144 A151 M171 D172 R174 K177	V143-L147 HydrophobicContact CG1-CD1 4.39Å; V143-L147 HydrophobicContact CG1-CD2 4.38Å; V143-L147 HydrophobicContact CG1-CG 4.13Å; V143-L147 VanDerWaalsContact O-CG 3.32Å; V143-L147 WeakPolarHBondContact O-CG 3.38Å; V143-L147 PolarHBondContact O-N 2.86Å; P144-L147 PolarHBondContact O-N 2.92Å; L147-A151 VanDerWaalsContact O-CB 3.32Å; L147-A151 WeakPolarHBondContact O-CB 3.29Å; L147-A151 PolarHBondContact O-N 3.04Å; L147-M171 HydrophobicContact CD2-CB 3.85Å; L147-D172 WeakPolarHBondContact CD1-O 3.25Å; L147-R174 HydrophobicContact CD2-CB 3.59Å; L147-K177 HydrophobicContact CB-CB 4.26Å; L147-K177 HydrophobicContact CB-CD 4.5Å; L147-K177 HydrophobicContact CB-CG 4.05Å
148	E	98.6	Very high	97.2	Very high	99 Å²	99	45.3 Å²	45.3	46%	0.463	23%	0.233	S	C	.	.	H	α-helix	trans	-60.1	-49.2	175.6	-73.2	175.9	173.1	0	0	111.6	P144 R145 T146 L150 A151 E152 K177	P144-E148 PolarHBondContact O-N 3.06Å; P144-E148 VanDerWaalsContact O-N 3.16Å; R145-E148 PolarHBondContact O-N 2.95Å; T146-E148 VanDerWaalsContact C-N 3.32Å; T146-E148 PolarHBondContact O-N 3.35Å; E148-L150 PolarHBondContact O-N 3.25Å; E148-A151 WeakPolarHBondContact O-CB 3.27Å; E148-A151 PolarHBondContact O-N 2.77Å; E148-E152 WeakPolarHBondContact O-CG 3.41Å; E148-E152 PolarHBondContact O-N 3.36Å; E148-K177 IonicContact OE1-NZ 2.93Å
149	R	98.6	Very high	97.5	Very high	20 Å²	20	45.2 Å²	45.2	8%	0.075	23%	0.232	C	C	.	.	H	α-helix	trans	-62.5	-43.8	179.3	-174.4	66.8	-169.9	125.5	4.2	112.9	T90 G91 S92 D95 L123 I134 R145 T146 A151 E152 I153	T90-R149 WeakPolarHBondContact O-CD 3.42Å; T90-R149 WeakPolarHBondContact O-CG 3.39Å; T90-R149 PolarHBondContact O-NE 3.19Å; T90-R149 VanDerWaalsContact O-NE 3.07Å; G91-R149 PolarHBondContact O-NH2 3.38Å; S92-R149 PolarHBondContact O-NH2 3.19Å; D95-R149 VanDerWaalsContact CG-NH1 3.34Å; D95-R149 VanDerWaalsContact CG-NH2 3.32Å; D95-R149 IonicContact OD1-CZ 3.1Å; D95-R149 IonicContact OD1-NH1 3.4Å; D95-R149 PolarHBondContact OD1-NH1 3.43Å; D95-R149 IonicContact OD1-NH2 2.77Å; D95-R149 PolarHBondContact OD1-NH2 3.19Å; D95-R149 IonicContact OD2-CZ 2.82Å; D95-R149 IonicContact OD2-NH1 3.49Å; D95-R149 PolarHBondContact OD2-NH1 3.49Å; D95-R149 IonicContact OD2-NH2 3.32Å; L123-R149 HydrophobicContact CD1-CB 4.43Å; L123-R149 HydrophobicContact CD1-CG 4.08Å; L123-R149 HydrophobicContact CD2-CG 3.76Å; I134-R149 HydrophobicContact CD1-CB 3.94Å; I134-R149 HydrophobicContact CD1-CG 4.36Å; R145-R149 PolarHBondContact O-N 3.12Å; T146-R149 PolarHBondContact O-N 3.44Å; R149-A151 VanDerWaalsContact C-N 3.27Å; R149-A151 PolarHBondContact O-N 2.98Å; R149-E152 WeakPolarHBondContact CD-OE2 3.49Å; R149-E152 IonicContact CZ-OE2 2.61Å; R149-E152 IonicContact NH1-OE2 2.84Å; R149-E152 PolarHBondContact NH1-OE2 3.06Å; R149-E152 PolarHBondContact O-N 3.46Å; R149-I153 HydrophobicContact CG-CD1 4.15Å; R149-I153 WeakPolarHBondContact O-CG1 3.45Å; R149-I153 PolarHBondContact O-N 2.88Å; R149-I153 VanDerWaalsContact O-N 3.09Å
150	L	98.8	Very high	97.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-36.5	176.6	-67.5	170.9	0	0	0	111.8	V121 L123 T146 E148 S154 D169 R174	V121-L150 HydrophobicContact CG1-CB 4.38Å; V121-L150 HydrophobicContact CG1-CD2 3.88Å; L123-L150 HydrophobicContact CD2-CD2 4.29Å; L123-L150 HydrophobicContact CG-CD2 4.13Å; T146-L150 HydrophobicContact CG2-CD1 3.77Å; T146-L150 HydrophobicContact CG2-CG 4.16Å; T146-L150 VanDerWaalsContact O-CG 3.26Å; T146-L150 WeakPolarHBondContact O-CG 3.48Å; T146-L150 PolarHBondContact O-N 3.28Å; E148-L150 PolarHBondContact O-N 3.25Å; L150-S154 WeakPolarHBondContact O-CB 3.45Å; L150-S154 PolarHBondContact O-N 3.22Å; L150-S154 PolarHBondContact O-OG 2.65Å; L150-D169 HydrophobicContact CD1-CB 3.88Å; L150-D169 WeakPolarHBondContact CD1-OD2 3.11Å; L150-D169 HydrophobicContact CD2-CB 4.38Å; L150-R174 HydrophobicContact CD1-CB 4.16Å
151	A	98.7	Very high	98.2	Very high	6 Å²	6	44.1 Å²	44.1	5%	0.05	22%	0.219	C	C	.	.	H	α-helix	trans	-68.7	-38.2	175.9	0	0	0	0	0	113.1	L147 E148 R149 S154 K155 K177 A181	L147-A151 VanDerWaalsContact O-CB 3.32Å; L147-A151 WeakPolarHBondContact O-CB 3.29Å; L147-A151 PolarHBondContact O-N 3.04Å; E148-A151 WeakPolarHBondContact O-CB 3.27Å; E148-A151 PolarHBondContact O-N 2.77Å; R149-A151 VanDerWaalsContact C-N 3.27Å; R149-A151 PolarHBondContact O-N 2.98Å; A151-S154 PolarHBondContact O-N 3.34Å; A151-K155 WeakPolarHBondContact O-CB 3.2Å; A151-K155 WeakPolarHBondContact O-CG 3.39Å; A151-K155 PolarHBondContact O-N 2.93Å; A151-K177 HydrophobicContact CB-CG 3.78Å; A151-A181 HydrophobicContact CB-CB 3.73Å
152	E	98.6	Very high	98.3	Very high	99 Å²	99	42.3 Å²	42.3	46%	0.463	21%	0.21	S	C	.	.	H	α-helix	trans	-61.1	-49.5	172.8	-70.1	168.2	178	0	0	111.7	E148 R149 S154 K155 R156	E148-E152 WeakPolarHBondContact O-CG 3.41Å; E148-E152 PolarHBondContact O-N 3.36Å; R149-E152 WeakPolarHBondContact CD-OE2 3.49Å; R149-E152 IonicContact CZ-OE2 2.61Å; R149-E152 IonicContact NH1-OE2 2.84Å; R149-E152 PolarHBondContact NH1-OE2 3.06Å; R149-E152 PolarHBondContact O-N 3.46Å; E152-S154 VanDerWaalsContact C-N 3.31Å; E152-S154 PolarHBondContact O-N 3.3Å; E152-K155 WeakPolarHBondContact O-CB 3.25Å; E152-K155 PolarHBondContact O-N 3.22Å; E152-R156 PolarHBondContact O-N 3.33Å
153	I	98.7	Very high	98.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-45.3	177.8	-66.7	162.4	0	0	0	110.4	C94 D95 V121 L123 R149 K155 R156 F157	C94-I153 HydrophobicContact CB-CD1 3.89Å; C94-I153 HydrophobicContact CB-CG1 4.12Å; C94-I153 VanDerWaalsContact SG-CG2 3.59Å; D95-I153 HydrophobicContact CB-CB 4.49Å; D95-I153 HydrophobicContact CB-CG1 4.09Å; V121-I153 HydrophobicContact CG1-CB 4.33Å; V121-I153 HydrophobicContact CG1-CG2 4.03Å; V121-I153 HydrophobicContact CG2-CG2 4.25Å; L123-I153 HydrophobicContact CD2-CD1 3.36Å; R149-I153 HydrophobicContact CG-CD1 4.15Å; R149-I153 WeakPolarHBondContact O-CG1 3.45Å; R149-I153 PolarHBondContact O-N 2.88Å; R149-I153 VanDerWaalsContact O-N 3.09Å; I153-K155 PolarHBondContact O-N 2.88Å; I153-R156 PolarHBondContact O-N 3.13Å; I153-F157 HydrophobicContact CG2-CD2 3.99Å; I153-F157 HydrophobicContact CG2-CE1 4.16Å; I153-F157 HydrophobicContact CG2-CE2 3.57Å; I153-F157 HydrophobicContact CG2-CG 4.47Å; I153-F157 HydrophobicContact CG2-CZ 3.67Å; I153-F157 PolarHBondContact O-N 3.4Å
154	S	98.8	Very high	98.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61	-44.8	178.3	-60.2	0	0	0	0	112	L150 A151 E152 R156 F157 A158 I165 I178	L150-S154 WeakPolarHBondContact O-CB 3.45Å; L150-S154 PolarHBondContact O-N 3.22Å; L150-S154 PolarHBondContact O-OG 2.65Å; A151-S154 PolarHBondContact O-N 3.34Å; E152-S154 VanDerWaalsContact C-N 3.31Å; E152-S154 PolarHBondContact O-N 3.3Å; S154-R156 VanDerWaalsContact C-N 3.33Å; S154-R156 PolarHBondContact O-N 3.39Å; S154-F157 PolarHBondContact O-N 3.48Å; S154-A158 VanDerWaalsContact O-CB 3.26Å; S154-A158 WeakPolarHBondContact O-CB 3.44Å; S154-A158 PolarHBondContact O-N 3.02Å; S154-I165 WeakPolarHBondContact OG-CG2 3.43Å; S154-I178 WeakPolarHBondContact OG-CG1 3.19Å
155	K	98.4	Very high	98.6	Very high	70 Å²	70	36.7 Å²	36.7	30%	0.304	17%	0.174	S	C	.	.	H	α-helix	trans	-57.6	-47.1	174.1	-81.5	174	168.8	-169	0	111.1	A151 E152 I153 A158 L159 A181 S184 I185	A151-K155 WeakPolarHBondContact O-CB 3.2Å; A151-K155 WeakPolarHBondContact O-CG 3.39Å; A151-K155 PolarHBondContact O-N 2.93Å; E152-K155 WeakPolarHBondContact O-CB 3.25Å; E152-K155 PolarHBondContact O-N 3.22Å; I153-K155 PolarHBondContact O-N 2.88Å; K155-A158 PolarHBondContact O-N 2.97Å; K155-L159 WeakPolarHBondContact O-CB 3.28Å; K155-L159 VanDerWaalsContact O-CG 3.29Å; K155-L159 WeakPolarHBondContact O-CG 3.35Å; K155-L159 PolarHBondContact O-N 2.77Å; K155-A181 HydrophobicContact CD-CB 4.06Å; K155-A181 VanDerWaalsContact CE-CA 3.41Å; K155-A181 WeakPolarHBondContact CE-O 3.29Å; K155-A181 HydrophobicContact CG-CB 3.79Å; K155-S184 WeakPolarHBondContact CE-OG 3.4Å; K155-S184 PolarHBondContact NZ-OG 2.91Å; K155-I185 HydrophobicContact CB-CD1 4.21Å; K155-I185 HydrophobicContact CD-CG2 4.24Å; K155-I185 HydrophobicContact CG-CD1 4.17Å; K155-I185 HydrophobicContact CG-CG2 4.19Å
156	R	98.6	Very high	98.6	Very high	101 Å²	101	30.4 Å²	30.4	38%	0.381	15%	0.15	S	C	.	.	H	α-helix	trans	-61	-54.5	179.5	178.7	60.4	61.5	-175.5	-1.6	110.7	D95 I102 E152 I153 S154 A158 L159 E160	D95-R156 HydrophobicContact CB-CB 3.81Å; D95-R156 HydrophobicContact CB-CG 3.86Å; I102-R156 HydrophobicContact CD1-CG 3.42Å; I102-R156 VanDerWaalsContact CD1-CG 3.42Å; I102-R156 HydrophobicContact CG1-CG 4.37Å; E152-R156 PolarHBondContact O-N 3.33Å; I153-R156 PolarHBondContact O-N 3.13Å; S154-R156 VanDerWaalsContact C-N 3.33Å; S154-R156 PolarHBondContact O-N 3.39Å; R156-A158 VanDerWaalsContact C-N 3.26Å; R156-A158 PolarHBondContact O-N 2.61Å; R156-L159 WeakPolarHBondContact O-CB 3.2Å; R156-L159 PolarHBondContact O-N 2.82Å; R156-E160 WeakPolarHBondContact CD-OE1 3.5Å; R156-E160 HydrophobicContact CG-CG 4.29Å; R156-E160 IonicContact CZ-OE1 3.52Å; R156-E160 IonicContact NE-OE1 2.66Å; R156-E160 IonicContact NH1-OE1 3.39Å; R156-E160 PolarHBondContact NH1-OE1 2.97Å; R156-E160 WeakPolarHBondContact O-CG 3.26Å; R156-E160 PolarHBondContact O-N 3.1Å
157	F	98.7	Very high	98.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.6	-39.8	-179.7	-68.4	-8.6	0	0	0	112.4	C94 V101 I102 I105 C119 V121 I153 S154 E160 G161 A162 I165	C94-F157 WeakPolarHBondContact O-CE1 3.43Å; V101-F157 HydrophobicContact CB-CE1 4.16Å; V101-F157 HydrophobicContact CB-CZ 3.98Å; V101-F157 HydrophobicContact CG1-CD1 4.33Å; V101-F157 HydrophobicContact CG1-CD2 4.37Å; V101-F157 HydrophobicContact CG1-CE1 3.94Å; V101-F157 HydrophobicContact CG1-CE2 3.96Å; V101-F157 HydrophobicContact CG1-CZ 3.73Å; V101-F157 HydrophobicContact CG2-CZ 4.45Å; I102-F157 HydrophobicContact CD1-CD1 4.2Å; I102-F157 HydrophobicContact CD1-CE1 4.1Å; I102-F157 HydrophobicContact CG1-CD1 3.78Å; I102-F157 HydrophobicContact CG1-CE1 3.79Å; I105-F157 HydrophobicContact CD1-CB 4.14Å; I105-F157 HydrophobicContact CD1-CD1 4.24Å; I105-F157 HydrophobicContact CD1-CG 4.26Å; C119-F157 HydrophobicContact CB-CD2 3.63Å; C119-F157 HydrophobicContact CB-CE2 4.17Å; C119-F157 HydrophobicContact CB-CG 4.35Å; V121-F157 HydrophobicContact CG2-CD2 3.75Å; V121-F157 HydrophobicContact CG2-CE2 3.96Å; I153-F157 HydrophobicContact CG2-CD2 3.99Å; I153-F157 HydrophobicContact CG2-CE1 4.16Å; I153-F157 HydrophobicContact CG2-CE2 3.57Å; I153-F157 HydrophobicContact CG2-CG 4.47Å; I153-F157 HydrophobicContact CG2-CZ 3.67Å; I153-F157 PolarHBondContact O-N 3.4Å; S154-F157 PolarHBondContact O-N 3.48Å; F157-E160 PolarHBondContact O-N 3.27Å; F157-G161 PolarHBondContact O-N 3.41Å; F157-A162 HydrophobicContact CB-CB 4.17Å; F157-A162 VanDerWaalsContact O-CB 3.29Å; F157-A162 WeakPolarHBondContact O-CB 3.4Å; F157-A162 PolarHBondContact O-N 3.03Å; F157-I165 HydrophobicContact CB-CD1 3.74Å
158	A	98.6	Very high	98.6	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.033	15%	0.146	C	C	.	.	H	α-helix	trans	-61.1	-45.7	174.1	0	0	0	0	0	112.4	S154 K155 R156 E160 G161 I185 L187 V191	S154-A158 VanDerWaalsContact O-CB 3.26Å; S154-A158 WeakPolarHBondContact O-CB 3.44Å; S154-A158 PolarHBondContact O-N 3.02Å; K155-A158 PolarHBondContact O-N 2.97Å; R156-A158 VanDerWaalsContact C-N 3.26Å; R156-A158 PolarHBondContact O-N 2.61Å; A158-E160 VanDerWaalsContact C-N 3.29Å; A158-E160 PolarHBondContact O-N 2.97Å; A158-G161 PolarHBondContact O-N 2.73Å; A158-I185 HydrophobicContact CB-CD1 4.03Å; A158-L187 HydrophobicContact CB-CD1 3.94Å; A158-L187 WeakPolarHBondContact O-CD1 3.17Å; A158-V191 HydrophobicContact CB-CB 4.46Å; A158-V191 HydrophobicContact CB-CG1 4.13Å; A158-V191 HydrophobicContact CB-CG2 4.01Å
159	L	98.3	Very high	98.6	Very high	95 Å²	95	24.8 Å²	24.8	50%	0.497	12%	0.124	S	C	.	.	H	α-helix	trans	-63.2	-32.9	176.6	-73.5	169.3	0	0	0	113	K155 R156 G161 I185 L187	K155-L159 WeakPolarHBondContact O-CB 3.28Å; K155-L159 VanDerWaalsContact O-CG 3.29Å; K155-L159 WeakPolarHBondContact O-CG 3.35Å; K155-L159 PolarHBondContact O-N 2.77Å; R156-L159 WeakPolarHBondContact O-CB 3.2Å; R156-L159 PolarHBondContact O-N 2.82Å; L159-G161 VanDerWaalsContact C-N 3.29Å; L159-I185 HydrophobicContact CD2-CB 4.45Å; L159-I185 HydrophobicContact CD2-CD1 4.08Å; L159-I185 HydrophobicContact CG-CD1 3.84Å; L159-L187 HydrophobicContact CD2-CD1 4.37Å
160	E	98.2	Very high	98.6	Very high	42 Å²	42	24.2 Å²	24.2	20%	0.196	12%	0.122	C	C	.	.	H	α-helix	trans	-81.8	-7.8	179.1	-54.1	-57.2	157	0	0	112.9	I102 I105 K106 R156 F157 A158	I102-E160 HydrophobicContact CD1-CG 4.41Å; I102-E160 HydrophobicContact CG1-CG 4.12Å; I102-E160 HydrophobicContact CG2-CB 4.38Å; I102-E160 HydrophobicContact CG2-CG 3.81Å; I105-E160 HydrophobicContact CG2-CB 4.4Å; I105-E160 WeakPolarHBondContact CG2-O 3.2Å; K106-E160 WeakPolarHBondContact CE-OE2 3.49Å; K106-E160 IonicContact NZ-OE2 2.71Å; K106-E160 PolarHBondContact NZ-OE2 3.23Å; R156-E160 WeakPolarHBondContact CD-OE1 3.5Å; R156-E160 HydrophobicContact CG-CG 4.29Å; R156-E160 IonicContact CZ-OE1 3.52Å; R156-E160 IonicContact NE-OE1 2.66Å; R156-E160 IonicContact NH1-OE1 3.39Å; R156-E160 PolarHBondContact NH1-OE1 2.97Å; R156-E160 WeakPolarHBondContact O-CG 3.26Å; R156-E160 PolarHBondContact O-N 3.1Å; F157-E160 PolarHBondContact O-N 3.27Å; A158-E160 VanDerWaalsContact C-N 3.29Å; A158-E160 PolarHBondContact O-N 2.97Å
161	G	98.1	Very high	98.6	Very high	27 Å²	27	24.5 Å²	24.5	28%	0.278	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	112.8	16.5	170.8	0	0	0	0	0	116.3	K109 F157 A158 L159 D163	K109-G161 WeakPolarHBondContact CD-O 3.19Å; K109-G161 WeakPolarHBondContact CG-O 3.41Å; F157-G161 PolarHBondContact O-N 3.41Å; A158-G161 PolarHBondContact O-N 2.73Å; L159-G161 VanDerWaalsContact C-N 3.29Å; G161-D163 PolarHBondContact O-N 2.65Å
162	A	98.7	Very high	98.5	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.017	15%	0.148	C	C	.	.			trans	-62.5	132.5	171.4	0	0	0	0	0	110.9	I105 C119 F157 I165 V191	I105-A162 HydrophobicContact CD1-CB 4.15Å; C119-A162 HydrophobicContact CB-CB 4.43Å; F157-A162 HydrophobicContact CB-CB 4.17Å; F157-A162 VanDerWaalsContact O-CB 3.29Å; F157-A162 WeakPolarHBondContact O-CB 3.4Å; F157-A162 PolarHBondContact O-N 3.03Å; A162-I165 HydrophobicContact CB-CD1 4.13Å; A162-V191 WeakPolarHBondContact O-CG2 3.4Å
163	D	98.8	Very high	98.5	Very high	39 Å²	39	25.5 Å²	25.5	21%	0.209	14%	0.136	C	C	.	.	S	Bend	trans	-81.1	-32.1	178.8	-55.2	-75.5	0	0	0	111.2	K109 I116 V117 G161 V191 A192	K109-D163 VanDerWaalsContact NZ-CG 3.29Å; K109-D163 IonicContact NZ-OD1 3.47Å; K109-D163 PolarHBondContact NZ-OD1 2.9Å; K109-D163 IonicContact NZ-OD2 4Å; K109-D163 PolarHBondContact NZ-OD2 3.3Å; I116-D163 HydrophobicContact CG2-CB 4.09Å; V117-D163 PolarHBondContact N-OD2 3.32Å; V117-D163 PolarHBondContact O-N 3.05Å; G161-D163 PolarHBondContact O-N 2.65Å; D163-V191 WeakPolarHBondContact O-CA 3.45Å; D163-A192 PolarHBondContact O-N 2.91Å
164	V	98.9	Very high	98.5	Very high	10 Å²	10	25.5 Å²	25.5	6%	0.061	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	130.9	-178.2	-173.5	0	0	0	0	111.1	I116 V117 I118 C119 A192 M194 F248	I116-V164 HydrophobicContact CG2-CG2 4.15Å; V117-V164 PolarHBondContact O-N 3.07Å; I118-V164 WeakPolarHBondContact CA-O 3.48Å; I118-V164 HydrophobicContact CB-CB 4.2Å; I118-V164 HydrophobicContact CG1-CB 3.96Å; I118-V164 HydrophobicContact CG1-CG2 4.17Å; I118-V164 HydrophobicContact CG2-CB 3.92Å; I118-V164 HydrophobicContact CG2-CG1 3.96Å; C119-V164 PolarHBondContact N-O 3.48Å; V164-A192 CarbonylContact C-O 3.48Å; V164-A192 WeakPolarHBondContact CA-O 3.45Å; V164-A192 HydrophobicContact CG1-CB 4.48Å; V164-A192 HydrophobicContact CG2-CB 4.31Å; V164-M194 HydrophobicContact CG1-CB 3.54Å; V164-F248 HydrophobicContact CG1-CD2 4.41Å; V164-F248 HydrophobicContact CG1-CE2 4.44Å; V164-F248 HydrophobicContact CG2-CE2 4.43Å
165	I	98.9	Very high	98.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.7	171.4	-60.8	-57	0	0	0	109.4	V121 S154 F157 A162 P167 I178 I182 V191 A192 V193 M194	V121-I165 HydrophobicContact CB-CG2 4.28Å; V121-I165 HydrophobicContact CG2-CG2 3.64Å; S154-I165 WeakPolarHBondContact OG-CG2 3.43Å; F157-I165 HydrophobicContact CB-CD1 3.74Å; A162-I165 HydrophobicContact CB-CD1 4.13Å; I165-P167 VanDerWaalsContact O-CD 3.32Å; I165-P167 WeakPolarHBondContact O-CD 3.4Å; I165-I178 HydrophobicContact CG2-CG2 4.03Å; I165-I182 HydrophobicContact CB-CD1 4.48Å; I165-I182 HydrophobicContact CG1-CD1 4.08Å; I165-V191 HydrophobicContact CG1-CG1 3.73Å; I165-A192 PolarHBondContact N-O 3.49Å; I165-V193 CarbonylContact O-C 3.58Å; I165-V193 WeakPolarHBondContact O-CA 3.15Å; I165-M194 PolarHBondContact O-N 3.38Å
166	A	98.9	Very high	98.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	85.4	-176.6	0	0	0	0	0	112.1	L77 I118 C119 V121 S168 M194 Y196	L77-A166 HydrophobicContact CD1-CB 4.31Å; I118-A166 HydrophobicContact CG2-CB 3.77Å; C119-A166 PolarHBondContact O-N 3.01Å; V121-A166 PolarHBondContact N-O 2.8Å; A166-S168 PolarHBondContact O-N 2.91Å; A166-M194 VanDerWaalsContact CA-O 3.23Å; A166-M194 WeakPolarHBondContact CA-O 3.33Å; A166-M194 HydrophobicContact CB-CB 4.36Å; A166-Y196 HydrophobicContact CB-CD2 4.34Å; A166-Y196 HydrophobicContact CB-CE2 3.75Å; A166-Y196 WeakPolarHBondContact O-CE2 3.37Å
167	P	98.8	Very high	98.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	116.6	-177.9	27.3	-33.1	0	0	0	111.9	V121 I165 D169 R174 I178 V193 Y196	V121-P167 WeakPolarHBondContact O-CA 3.26Å; I165-P167 VanDerWaalsContact O-CD 3.32Å; I165-P167 WeakPolarHBondContact O-CD 3.4Å; P167-D169 WeakPolarHBondContact CB-OD1 3.09Å; P167-R174 HydrophobicContact CB-CG 3.96Å; P167-R174 HydrophobicContact CG-CG 4.39Å; P167-I178 HydrophobicContact CB-CD1 3.58Å; P167-I178 HydrophobicContact CG-CD1 3.92Å; P167-V193 HydrophobicContact CG-CG1 4.17Å; P167-Y196 WeakPolarHBondContact O-CB 3.35Å; P167-Y196 VanDerWaalsContact O-CD2 3.25Å; P167-Y196 WeakPolarHBondContact O-CD2 3.31Å; P167-Y196 PolarHBondContact O-N 3.15Å
168	S	98.6	Very high	98.5	Very high	5 Å²	5	26.8 Å²	26.8	4%	0.035	14%	0.144	C	C	.	.			trans	-107.7	8.2	-171.4	90.7	0	0	0	0	114.2	D120 V121 C122 A166 Y196 K199	D120-S168 WeakPolarHBondContact OD1-CB 3.47Å; D120-S168 PolarHBondContact OD1-OG 3.04Å; D120-S168 PolarHBondContact OD2-OG 3.2Å; V121-S168 PolarHBondContact O-N 2.87Å; C122-S168 WeakPolarHBondContact CB-OG 3.44Å; A166-S168 PolarHBondContact O-N 2.91Å; S168-Y196 VanDerWaalsContact CB-CD2 3.43Å; S168-K199 WeakPolarHBondContact O-CD 2.61Å; S168-K199 PolarHBondContact O-NZ 2.96Å
169	D	98.2	Very high	98.5	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.152	C	C	.	.	S	Bend	trans	-78	-29.5	-169.4	58.5	-72.9	0	0	0	115	C132 L150 P167 M171 R174 Y224	C132-D169 HydrophobicContact CB-CB 4.23Å; L150-D169 HydrophobicContact CD1-CB 3.88Å; L150-D169 WeakPolarHBondContact CD1-OD2 3.11Å; L150-D169 HydrophobicContact CD2-CB 4.38Å; P167-D169 WeakPolarHBondContact CB-OD1 3.09Å; D169-M171 VanDerWaalsContact C-N 3.34Å; D169-M171 HydrophobicContact CB-CG 4.18Å; D169-M171 WeakPolarHBondContact OD2-CA 3.47Å; D169-M171 WeakPolarHBondContact OD2-CB 3.39Å; D169-M171 WeakPolarHBondContact OD2-CG 3.29Å; D169-M171 PolarHBondContact OD2-N 2.82Å; D169-R174 WeakPolarHBondContact OD1-CG 3.17Å; D169-R174 WeakPolarHBondContact OD2-CD 3.31Å; D169-Y224 WeakPolarHBondContact O-CD2 3.22Å
170	M	98.5	Very high	98.6	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.039	15%	0.153	C	C	.	.			trans	67.4	17	-173.9	-75.7	-68.2	-56.2	0	0	116.5	K199 Y224 L226	M170-K199 HydrophobicContact CG-CB 3.69Å; M170-K199 HydrophobicContact CG-CD 4.15Å; M170-K199 HydrophobicContact CG-CG 4.31Å; M170-K199 HydrophobicContact SD-CB 3.75Å; M170-Y224 HydrophobicContact CB-CD2 4.39Å; M170-Y224 WeakPolarHBondContact CB-O 3.36Å; M170-Y224 WeakPolarHBondContact CE-O 3.49Å; M170-L226 HydrophobicContact CE-CD1 4.13Å; M170-L226 HydrophobicContact CE-CD2 3.58Å; M170-L226 HydrophobicContact CE-CG 3.58Å
171	M	98.2	Very high	98.6	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.025	15%	0.146	C	C	.	.			trans	-73.3	148.2	175.6	-56	-62.5	152.3	0	0	111.9	C132 L141 T146 L147 D169 G173 R174 Y224	C132-M171 HydrophobicContact CB-CE 4.15Å; L141-M171 HydrophobicContact CD1-CE 3.66Å; L141-M171 HydrophobicContact CD1-SD 3.82Å; L141-M171 HydrophobicContact CD2-CE 3.6Å; L141-M171 HydrophobicContact CD2-SD 4.22Å; L141-M171 HydrophobicContact CG-CE 4.24Å; L141-M171 HydrophobicContact CG-SD 4.45Å; T146-M171 HydrophobicContact CG2-CG 3.75Å; T146-M171 HydrophobicContact CG2-SD 4.5Å; L147-M171 HydrophobicContact CD2-CB 3.85Å; D169-M171 VanDerWaalsContact C-N 3.34Å; D169-M171 HydrophobicContact CB-CG 4.18Å; D169-M171 WeakPolarHBondContact OD2-CA 3.47Å; D169-M171 WeakPolarHBondContact OD2-CB 3.39Å; D169-M171 WeakPolarHBondContact OD2-CG 3.29Å; D169-M171 PolarHBondContact OD2-N 2.82Å; M171-G173 PolarHBondContact O-N 2.9Å; M171-R174 WeakPolarHBondContact O-CD 3.41Å; M171-Y224 HydrophobicContact CE-CD2 4.28Å; M171-Y224 HydrophobicContact CE-CG 4.18Å
172	D	97.9	Very high	98.6	Very high	106 Å²	106	26.4 Å²	26.4	57%	0.567	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	129.7	178	-65.6	-24.1	0	0	0	110.9	L147 R174 R240	L147-D172 WeakPolarHBondContact CD1-O 3.25Å; D172-R174 PolarHBondContact O-N 2.94Å; D172-R240 IonicContact OD1-CZ 3.6Å; D172-R240 IonicContact OD1-NH1 2.71Å; D172-R240 PolarHBondContact OD1-NH1 2.76Å
173	G	98.1	Very high	98.6	Very high	20 Å²	20	32.3 Å²	32.3	21%	0.206	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	82	0.9	175.6	0	0	0	0	0	116.6	M171 V175 K176 K177 E244	M171-G173 PolarHBondContact O-N 2.9Å; G173-V175 VanDerWaalsContact C-N 3.3Å; G173-V175 PolarHBondContact O-N 2.66Å; G173-K176 PolarHBondContact O-N 2.76Å; G173-K177 PolarHBondContact O-N 2.74Å; G173-E244 WeakPolarHBondContact CA-OE1 3.23Å; G173-E244 WeakPolarHBondContact CA-OE2 3.46Å
174	R	98.7	Very high	98.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.7	-34.5	-178.4	86.4	-79.7	173.5	-144.1	8.4	113.9	L147 L150 P167 D169 M171 D172 K177 I178 S195 D241	L147-R174 HydrophobicContact CD2-CB 3.59Å; L150-R174 HydrophobicContact CD1-CB 4.16Å; P167-R174 HydrophobicContact CB-CG 3.96Å; P167-R174 HydrophobicContact CG-CG 4.39Å; D169-R174 WeakPolarHBondContact OD1-CG 3.17Å; D169-R174 WeakPolarHBondContact OD2-CD 3.31Å; M171-R174 WeakPolarHBondContact O-CD 3.41Å; D172-R174 PolarHBondContact O-N 2.94Å; R174-K177 PolarHBondContact O-N 3.28Å; R174-I178 HydrophobicContact CB-CD1 4.49Å; R174-I178 HydrophobicContact CG-CD1 4.31Å; R174-I178 WeakPolarHBondContact O-CB 3.25Å; R174-I178 WeakPolarHBondContact O-CG1 3.26Å; R174-I178 PolarHBondContact O-N 3.16Å; R174-S195 PolarHBondContact NH2-OG 2.89Å; R174-D241 IonicContact CZ-OD1 3.19Å; R174-D241 IonicContact CZ-OD2 3.64Å; R174-D241 VanDerWaalsContact NH1-CG 3.33Å; R174-D241 IonicContact NH1-OD1 3.66Å; R174-D241 PolarHBondContact NH1-OD1 2.76Å; R174-D241 IonicContact NH1-OD2 3.63Å; R174-D241 PolarHBondContact NH1-OD2 3.09Å; R174-D241 IonicContact NH2-OD1 3.28Å; R174-D241 IonicContact NH2-OD2 3.39Å; R174-D241 PolarHBondContact NH2-OD2 3.49Å
175	V	98.9	Very high	98.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-48.3	-177.8	171.9	0	0	0	0	109.2	G173 K177 I178 K179 V193 S195 D241 E244 A246	G173-V175 VanDerWaalsContact C-N 3.3Å; G173-V175 PolarHBondContact O-N 2.66Å; V175-K177 VanDerWaalsContact C-N 3.34Å; V175-K177 PolarHBondContact O-N 2.79Å; V175-I178 PolarHBondContact O-N 2.76Å; V175-K179 HydrophobicContact CG1-CG 4.35Å; V175-K179 WeakPolarHBondContact O-CG 3.43Å; V175-K179 PolarHBondContact O-N 2.84Å; V175-V193 HydrophobicContact CG1-CG1 4.36Å; V175-S195 WeakPolarHBondContact CG2-OG 3.32Å; V175-D241 HydrophobicContact CG2-CB 4.06Å; V175-E244 HydrophobicContact CB-CB 3.88Å; V175-E244 WeakPolarHBondContact CB-OE2 3.3Å; V175-E244 HydrophobicContact CG1-CB 3.78Å; V175-E244 PolarHBondContact N-OE2 3.42Å; V175-A246 HydrophobicContact CG1-CB 3.85Å
176	K	98.8	Very high	98.5	Very high	124 Å²	124	38.8 Å²	38.8	54%	0.539	22%	0.215	S	C	.	.	H	α-helix	trans	-56.7	-48.2	176.2	-177.4	174.9	179.6	177.1	0	111.5	G173 I178 K179 M180 E244	G173-K176 PolarHBondContact O-N 2.76Å; K176-I178 VanDerWaalsContact C-N 3.34Å; K176-I178 PolarHBondContact O-N 2.9Å; K176-K179 PolarHBondContact O-N 2.87Å; K176-M180 HydrophobicContact CG-SD 4.05Å; K176-M180 VanDerWaalsContact O-CG 3.29Å; K176-M180 WeakPolarHBondContact O-CG 3.34Å; K176-M180 PolarHBondContact O-N 2.96Å; K176-E244 HydrophobicContact CB-CB 3.94Å; K176-E244 HydrophobicContact CB-CG 3.85Å; K176-E244 PolarHBondContact N-OE2 3.44Å
177	K	98.7	Very high	98.5	Very high	75 Å²	75	40.2 Å²	40.2	33%	0.326	22%	0.223	S	C	.	.	H	α-helix	trans	-61.4	-42.9	-179.9	-168.5	81.8	170.8	-170.3	0	111.3	L147 E148 A151 G173 R174 V175 A181	L147-K177 HydrophobicContact CB-CB 4.26Å; L147-K177 HydrophobicContact CB-CD 4.5Å; L147-K177 HydrophobicContact CB-CG 4.05Å; E148-K177 IonicContact OE1-NZ 2.93Å; A151-K177 HydrophobicContact CB-CG 3.78Å; G173-K177 PolarHBondContact O-N 2.74Å; R174-K177 PolarHBondContact O-N 3.28Å; V175-K177 VanDerWaalsContact C-N 3.34Å; V175-K177 PolarHBondContact O-N 2.79Å; K177-A181 VanDerWaalsContact O-CB 3.27Å; K177-A181 WeakPolarHBondContact O-CB 3.36Å; K177-A181 PolarHBondContact O-N 3.33Å
178	I	98.8	Very high	98.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.6	-44.2	178	-70.6	170.4	0	0	0	111.5	S154 I165 P167 R174 V175 K176 M180 A181 I182 V193	S154-I178 WeakPolarHBondContact OG-CG1 3.19Å; I165-I178 HydrophobicContact CG2-CG2 4.03Å; P167-I178 HydrophobicContact CB-CD1 3.58Å; P167-I178 HydrophobicContact CG-CD1 3.92Å; R174-I178 HydrophobicContact CB-CD1 4.49Å; R174-I178 HydrophobicContact CG-CD1 4.31Å; R174-I178 WeakPolarHBondContact O-CB 3.25Å; R174-I178 WeakPolarHBondContact O-CG1 3.26Å; R174-I178 PolarHBondContact O-N 3.16Å; V175-I178 PolarHBondContact O-N 2.76Å; K176-I178 VanDerWaalsContact C-N 3.34Å; K176-I178 PolarHBondContact O-N 2.9Å; I178-M180 PolarHBondContact O-N 2.95Å; I178-A181 WeakPolarHBondContact O-CA 3.42Å; I178-A181 WeakPolarHBondContact O-CB 3.46Å; I178-A181 PolarHBondContact O-N 3.37Å; I178-A181 VanDerWaalsContact O-N 3.1Å; I178-I182 HydrophobicContact CG2-CD1 3.79Å; I178-I182 HydrophobicContact CG2-CG1 4.39Å; I178-I182 WeakPolarHBondContact O-CG1 3.29Å; I178-I182 PolarHBondContact O-N 3.08Å; I178-V193 HydrophobicContact CG2-CG2 3.92Å
179	K	98.7	Very high	98.4	Very high	46 Å²	46	47.1 Å²	47.1	20%	0.2	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-46.5	176.6	-73.7	-68.6	-74.3	-163.8	0	111.5	V175 K176 A181 I182 E183 V193 G245 D247	V175-K179 HydrophobicContact CG1-CG 4.35Å; V175-K179 WeakPolarHBondContact O-CG 3.43Å; V175-K179 PolarHBondContact O-N 2.84Å; K176-K179 PolarHBondContact O-N 2.87Å; K179-A181 PolarHBondContact O-N 3.2Å; K179-I182 PolarHBondContact O-N 3.07Å; K179-E183 WeakPolarHBondContact O-CB 3.31Å; K179-E183 PolarHBondContact O-N 3.49Å; K179-V193 HydrophobicContact CD-CB 4.02Å; K179-V193 HydrophobicContact CD-CG2 3.45Å; K179-V193 VanDerWaalsContact CD-CG2 3.45Å; K179-V193 HydrophobicContact CG-CG2 4.11Å; K179-G245 VanDerWaalsContact CD-O 3.23Å; K179-G245 WeakPolarHBondContact CD-O 3.48Å; K179-G245 WeakPolarHBondContact CE-O 3.41Å; K179-G245 PolarHBondContact NZ-O 3.32Å; K179-D247 VanDerWaalsContact NZ-CG 3.34Å; K179-D247 IonicContact NZ-OD1 3.09Å; K179-D247 PolarHBondContact NZ-OD1 2.85Å; K179-D247 VanDerWaalsContact NZ-OD1 3.09Å; K179-D247 IonicContact NZ-OD2 3.75Å; K179-D247 PolarHBondContact NZ-OD2 3.28Å
180	M	98.6	Very high	98.3	Very high	105 Å²	105	55 Å²	55	52%	0.517	32%	0.318	S	S	.	.	H	α-helix	trans	-59.8	-36.4	174	-68.6	173.7	70.2	0	0	112	K176 I178 S184	K176-M180 HydrophobicContact CG-SD 4.05Å; K176-M180 VanDerWaalsContact O-CG 3.29Å; K176-M180 WeakPolarHBondContact O-CG 3.34Å; K176-M180 PolarHBondContact O-N 2.96Å; I178-M180 PolarHBondContact O-N 2.95Å; M180-S184 WeakPolarHBondContact O-CB 3.2Å; M180-S184 PolarHBondContact O-N 2.89Å; M180-S184 PolarHBondContact O-OG 2.67Å
181	A	98.6	Very high	98.3	Very high	6 Å²	6	55 Å²	55	5%	0.05	32%	0.319	C	S	.	.	H	α-helix	trans	-67.3	-47.6	179.1	0	0	0	0	0	111.8	A151 K155 K177 I178 K179 E183 S184	A151-A181 HydrophobicContact CB-CB 3.73Å; K155-A181 HydrophobicContact CD-CB 4.06Å; K155-A181 VanDerWaalsContact CE-CA 3.41Å; K155-A181 WeakPolarHBondContact CE-O 3.29Å; K155-A181 HydrophobicContact CG-CB 3.79Å; K177-A181 VanDerWaalsContact O-CB 3.27Å; K177-A181 WeakPolarHBondContact O-CB 3.36Å; K177-A181 PolarHBondContact O-N 3.33Å; I178-A181 WeakPolarHBondContact O-CA 3.42Å; I178-A181 WeakPolarHBondContact O-CB 3.46Å; I178-A181 PolarHBondContact O-N 3.37Å; I178-A181 VanDerWaalsContact O-N 3.1Å; K179-A181 PolarHBondContact O-N 3.2Å; A181-E183 VanDerWaalsContact C-N 3.34Å; A181-S184 PolarHBondContact O-N 3.29Å; A181-S184 PolarHBondContact O-OG 2.74Å
182	I	98.7	Very high	98.4	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-40.8	175.6	-66.6	167.5	0	0	0	111.1	I165 I178 K179 I185 L187 V191 V193	I165-I182 HydrophobicContact CB-CD1 4.48Å; I165-I182 HydrophobicContact CG1-CD1 4.08Å; I178-I182 HydrophobicContact CG2-CD1 3.79Å; I178-I182 HydrophobicContact CG2-CG1 4.39Å; I178-I182 WeakPolarHBondContact O-CG1 3.29Å; I178-I182 PolarHBondContact O-N 3.08Å; K179-I182 PolarHBondContact O-N 3.07Å; I182-I185 WeakPolarHBondContact O-CG1 3.03Å; I182-I185 PolarHBondContact O-N 2.77Å; I182-L187 HydrophobicContact CG2-CB 4.06Å; I182-L187 PolarHBondContact O-N 3.12Å; I182-V191 HydrophobicContact CD1-CG1 4.05Å; I182-V191 HydrophobicContact CG2-CB 4.06Å; I182-V193 HydrophobicContact CD1-CG2 3.67Å
183	E	98.3	Very high	98.4	Very high	126 Å²	126	50.7 Å²	50.7	59%	0.589	30%	0.298	S	S	*	.	H	α-helix	trans	-61.2	-44.7	175.6	-177.1	177.4	-161.7	0	0	111.7	K179 A181 I185 G186	K179-E183 WeakPolarHBondContact O-CB 3.31Å; K179-E183 PolarHBondContact O-N 3.49Å; A181-E183 VanDerWaalsContact C-N 3.34Å; E183-I185 PolarHBondContact O-N 3.32Å; E183-G186 PolarHBondContact O-N 2.77Å
184	S	98.4	Very high	98.5	Very high	75 Å²	75	50 Å²	50	52%	0.524	29%	0.289	S	S	.	.	H	α-helix	trans	-63.1	-15.6	-178.7	71.8	0	0	0	0	115	K155 M180 A181	K155-S184 WeakPolarHBondContact CE-OG 3.4Å; K155-S184 PolarHBondContact NZ-OG 2.91Å; M180-S184 WeakPolarHBondContact O-CB 3.2Å; M180-S184 PolarHBondContact O-N 2.89Å; M180-S184 PolarHBondContact O-OG 2.67Å; A181-S184 PolarHBondContact O-N 3.29Å; A181-S184 PolarHBondContact O-OG 2.74Å
185	I	98.4	Very high	98.5	Very high	49 Å²	49	50 Å²	50	25%	0.251	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	9.6	175.2	61.2	169	0	0	0	112.5	K155 A158 L159 I182 E183 L187	K155-I185 HydrophobicContact CB-CD1 4.21Å; K155-I185 HydrophobicContact CD-CG2 4.24Å; K155-I185 HydrophobicContact CG-CD1 4.17Å; K155-I185 HydrophobicContact CG-CG2 4.19Å; A158-I185 HydrophobicContact CB-CD1 4.03Å; L159-I185 HydrophobicContact CD2-CB 4.45Å; L159-I185 HydrophobicContact CD2-CD1 4.08Å; L159-I185 HydrophobicContact CG-CD1 3.84Å; I182-I185 WeakPolarHBondContact O-CG1 3.03Å; I182-I185 PolarHBondContact O-N 2.77Å; E183-I185 PolarHBondContact O-N 3.32Å; I185-L187 HydrophobicContact CD1-CB 4.47Å; I185-L187 HydrophobicContact CD1-CD1 3.74Å; I185-L187 HydrophobicContact CD1-CG 4.23Å; I185-L187 HydrophobicContact CG1-CB 4.29Å; I185-L187 HydrophobicContact CG1-CD1 4.27Å; I185-L187 HydrophobicContact CG1-CG 4.2Å; I185-L187 PolarHBondContact O-N 3.04Å
186	G	98.3	Very high	98.5	Very high	62 Å²	62	50 Å²	50	64%	0.639	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	20.3	174.2	0	0	0	0	0	115.2	E183	E183-G186 PolarHBondContact O-N 2.77Å
187	L	98.5	Very high	98.4	Very high	30 Å²	30	44 Å²	44	16%	0.157	26%	0.264	C	S	.	.			trans	-108.7	10.1	-175	-65.7	-176.2	0	0	0	114.4	A158 L159 I182 I185 G189 K190 V191	A158-L187 HydrophobicContact CB-CD1 3.94Å; A158-L187 WeakPolarHBondContact O-CD1 3.17Å; L159-L187 HydrophobicContact CD2-CD1 4.37Å; I182-L187 HydrophobicContact CG2-CB 4.06Å; I182-L187 PolarHBondContact O-N 3.12Å; I185-L187 HydrophobicContact CD1-CB 4.47Å; I185-L187 HydrophobicContact CD1-CD1 3.74Å; I185-L187 HydrophobicContact CD1-CG 4.23Å; I185-L187 HydrophobicContact CG1-CB 4.29Å; I185-L187 HydrophobicContact CG1-CD1 4.27Å; I185-L187 HydrophobicContact CG1-CG 4.2Å; I185-L187 PolarHBondContact O-N 3.04Å; L187-G189 PolarHBondContact O-N 3.13Å; L187-K190 HydrophobicContact CD2-CD 4.13Å; L187-K190 PolarHBondContact O-N 3.07Å; L187-V191 HydrophobicContact CB-CG2 4.08Å; L187-V191 HydrophobicContact CD1-CG2 4.37Å; L187-V191 PolarHBondContact O-N 3.25Å
188	S	96.6	Very high	98.4	Very high	70 Å²	70	40.5 Å²	40.5	49%	0.49	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.8	-178.2	54.3	0	0	0	0	114.2	K190	S188-K190 VanDerWaalsContact C-N 3.35Å
189	G	97.4	Very high	98.4	Very high	80 Å²	80	41 Å²	41	83%	0.825	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	0	175.4	0	0	0	0	0	115.2	L187	L187-G189 PolarHBondContact O-N 3.13Å
190	K	97.7	Very high	98.4	Very high	167 Å²	167	38.8 Å²	38.8	73%	0.726	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.2	-29.7	-175.5	-64.4	-173.6	-179.8	179.5	0	113.9	L187 S188	L187-K190 HydrophobicContact CD2-CD 4.13Å; L187-K190 PolarHBondContact O-N 3.07Å; S188-K190 VanDerWaalsContact C-N 3.35Å
191	V	98.7	Very high	98.4	Very high	8 Å²	8	34.8 Å²	34.8	5%	0.048	23%	0.225	C	C	.	.			trans	-117.1	119.4	-173.1	-177.6	0	0	0	0	110.1	A158 A162 D163 I165 I182 L187	A158-V191 HydrophobicContact CB-CB 4.46Å; A158-V191 HydrophobicContact CB-CG1 4.13Å; A158-V191 HydrophobicContact CB-CG2 4.01Å; A162-V191 WeakPolarHBondContact O-CG2 3.4Å; D163-V191 WeakPolarHBondContact O-CA 3.45Å; I165-V191 HydrophobicContact CG1-CG1 3.73Å; I182-V191 HydrophobicContact CD1-CG1 4.05Å; I182-V191 HydrophobicContact CG2-CB 4.06Å; L187-V191 HydrophobicContact CB-CG2 4.08Å; L187-V191 HydrophobicContact CD1-CG2 4.37Å; L187-V191 PolarHBondContact O-N 3.25Å
192	A	98.8	Very high	98.4	Very high	20 Å²	20	35.2 Å²	35.2	17%	0.165	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	161.1	178.5	0	0	0	0	0	112	D163 V164 I165 D247 F248	D163-A192 PolarHBondContact O-N 2.91Å; V164-A192 CarbonylContact C-O 3.48Å; V164-A192 WeakPolarHBondContact CA-O 3.45Å; V164-A192 HydrophobicContact CG1-CB 4.48Å; V164-A192 HydrophobicContact CG2-CB 4.31Å; I165-A192 PolarHBondContact N-O 3.49Å; A192-D247 WeakPolarHBondContact CA-OD2 3.34Å; A192-D247 HydrophobicContact CB-CB 4.02Å; A192-F248 HydrophobicContact CB-CD2 4.25Å; A192-F248 HydrophobicContact CB-CE2 3.58Å; A192-F248 HydrophobicContact CB-CZ 4.47Å
193	V	98.9	Very high	98.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	116.4	173.7	179.4	0	0	0	0	110.1	I165 P167 V175 I178 K179 I182 D247 F248	I165-V193 CarbonylContact O-C 3.58Å; I165-V193 WeakPolarHBondContact O-CA 3.15Å; P167-V193 HydrophobicContact CG-CG1 4.17Å; V175-V193 HydrophobicContact CG1-CG1 4.36Å; I178-V193 HydrophobicContact CG2-CG2 3.92Å; K179-V193 HydrophobicContact CD-CB 4.02Å; K179-V193 HydrophobicContact CD-CG2 3.45Å; K179-V193 VanDerWaalsContact CD-CG2 3.45Å; K179-V193 HydrophobicContact CG-CG2 4.11Å; I182-V193 HydrophobicContact CD1-CG2 3.67Å; V193-D247 PolarHBondContact N-OD2 3.5Å; V193-D247 PolarHBondContact O-N 3.41Å; V193-F248 PolarHBondContact O-N 3.12Å
194	M	98.9	Very high	98.2	Very high	4 Å²	4	36 Å²	36	2%	0.02	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	93.9	174.7	178.8	178.6	-66.4	0	0	110.2	I118 V164 I165 A166 F248 M250 A274 I314 I316	I118-M194 HydrophobicContact CD1-CE 4.2Å; I118-M194 HydrophobicContact CD1-SD 4.47Å; V164-M194 HydrophobicContact CG1-CB 3.54Å; I165-M194 PolarHBondContact O-N 3.38Å; A166-M194 VanDerWaalsContact CA-O 3.23Å; A166-M194 WeakPolarHBondContact CA-O 3.33Å; A166-M194 HydrophobicContact CB-CB 4.36Å; M194-F248 HydrophobicContact CB-CB 3.96Å; M194-F248 HydrophobicContact CB-CD2 3.9Å; M194-F248 HydrophobicContact CB-CG 4.35Å; M194-F248 HydrophobicContact CE-CB 4.13Å; M194-F248 HydrophobicContact CE-CD2 3.95Å; M194-F248 HydrophobicContact CE-CE2 4.5Å; M194-F248 HydrophobicContact CE-CG 4Å; M194-F248 HydrophobicContact CG-CB 3.84Å; M194-M250 HydrophobicContact CG-CE 3.59Å; M194-M250 HydrophobicContact SD-CE 3.42Å; M194-M250 WeakPolarHBondContact SD-CE 3.34Å; M194-A274 HydrophobicContact SD-CB 4.07Å; M194-I314 HydrophobicContact CE-CD1 3.78Å; M194-I314 HydrophobicContact CE-CG2 4.42Å; M194-I316 HydrophobicContact SD-CD1 4.31Å
195	S	98.8	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	133.5	-174.3	-173.2	0	0	0	0	112.3	R174 V175 S197 D241 F248 M250	R174-S195 PolarHBondContact NH2-OG 2.89Å; V175-S195 WeakPolarHBondContact CG2-OG 3.32Å; S195-S197 WeakPolarHBondContact CB-OG 3.31Å; S195-S197 PolarHBondContact O-N 3.45Å; S195-S197 PolarHBondContact O-OG 3.34Å; S195-S197 PolarHBondContact OG-OG 2.96Å; S195-D241 PolarHBondContact OG-OD2 3.31Å; S195-F248 PolarHBondContact N-O 3.09Å; S195-M250 WeakPolarHBondContact O-CB 3.21Å; S195-M250 PolarHBondContact O-N 2.75Å
196	Y	98.7	Very high	97.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	65.5	162.5	-72.9	-105.1	0	0	0	110.4	D120 A166 P167 S168 K199 M250 K252 Y276	D120-Y196 WeakPolarHBondContact OD1-CE2 3.29Å; D120-Y196 VanDerWaalsContact OD1-CZ 3.32Å; D120-Y196 PolarHBondContact OD1-OH 3.16Å; A166-Y196 HydrophobicContact CB-CD2 4.34Å; A166-Y196 HydrophobicContact CB-CE2 3.75Å; A166-Y196 WeakPolarHBondContact O-CE2 3.37Å; P167-Y196 WeakPolarHBondContact O-CB 3.35Å; P167-Y196 VanDerWaalsContact O-CD2 3.25Å; P167-Y196 WeakPolarHBondContact O-CD2 3.31Å; P167-Y196 PolarHBondContact O-N 3.15Å; S168-Y196 VanDerWaalsContact CB-CD2 3.43Å; Y196-K199 HydrophobicContact CD1-CD 4.33Å; Y196-M250 HydrophobicContact CD1-CE 4.39Å; Y196-M250 HydrophobicContact CD1-SD 3.52Å; Y196-M250 VanDerWaalsContact CD1-SD 3.52Å; Y196-M250 HydrophobicContact CD2-CE 4.31Å; Y196-M250 HydrophobicContact CD2-SD 4.45Å; Y196-M250 HydrophobicContact CE1-CE 4.25Å; Y196-M250 HydrophobicContact CE1-SD 3.53Å; Y196-M250 VanDerWaalsContact CE1-SD 3.53Å; Y196-M250 HydrophobicContact CE2-CE 4.22Å; Y196-M250 HydrophobicContact CG-CE 4.45Å; Y196-M250 HydrophobicContact CG-SD 4.05Å; Y196-K252 HydrophobicContact CD1-CB 4.38Å; Y196-K252 HydrophobicContact CD1-CD 3.69Å; Y196-K252 HydrophobicContact CE1-CD 3.55Å; Y196-Y276 AromaticContact CE1-CD2 3.77Å; Y196-Y276 HydrophobicContact CE1-CD2 3.77Å; Y196-Y276 HydrophobicContact CE1-CE2 4.12Å
197	S	98.7	Very high	97.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	-41.9	-167.6	-68	0	0	0	0	115.2	S195 A237 D241 I249 M250	S195-S197 WeakPolarHBondContact CB-OG 3.31Å; S195-S197 PolarHBondContact O-N 3.45Å; S195-S197 PolarHBondContact O-OG 3.34Å; S195-S197 PolarHBondContact OG-OG 2.96Å; S197-A237 WeakPolarHBondContact O-CB 3.33Å; S197-D241 WeakPolarHBondContact CA-OD2 3.47Å; S197-D241 WeakPolarHBondContact CB-OD2 3.36Å; S197-D241 PolarHBondContact OG-OD2 3.36Å; S197-I249 WeakPolarHBondContact OG-CD1 3.31Å; S197-M250 PolarHBondContact N-O 2.66Å
198	A	98.7	Very high	97.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	75.7	178.2	0	0	0	0	0	109.2	F200 L226 A234 M250 V251 K252 I260 L264	A198-F200 HydrophobicContact CB-CE2 4.12Å; A198-L226 HydrophobicContact CB-CD1 4.48Å; A198-A234 HydrophobicContact CB-CB 4Å; A198-M250 PolarHBondContact N-O 2.82Å; A198-V251 HydrophobicContact CB-CG1 4.49Å; A198-V251 HydrophobicContact CB-CG2 4.3Å; A198-K252 PolarHBondContact O-N 3.34Å; A198-I260 HydrophobicContact CB-CG2 4.21Å; A198-L264 HydrophobicContact CB-CD1 4.24Å
199	K	98.8	Very high	97.3	Very high	10 Å²	10	30.2 Å²	30.2	4%	0.043	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	108.4	177.4	-176.7	179.4	179.9	176.7	0	111.2	S168 M170 Y196 L226 K252	S168-K199 WeakPolarHBondContact O-CD 2.61Å; S168-K199 PolarHBondContact O-NZ 2.96Å; M170-K199 HydrophobicContact CG-CB 3.69Å; M170-K199 HydrophobicContact CG-CD 4.15Å; M170-K199 HydrophobicContact CG-CG 4.31Å; M170-K199 HydrophobicContact SD-CB 3.75Å; Y196-K199 HydrophobicContact CD1-CD 4.33Å; K199-L226 PolarHBondContact O-N 3.43Å; K199-K252 CarbonylContact C-O 3.53Å; K199-K252 VanDerWaalsContact CA-O 3.29Å; K199-K252 WeakPolarHBondContact CA-O 3.49Å; K199-K252 HydrophobicContact CG-CB 4.41Å; K199-K252 HydrophobicContact CG-CD 4.4Å; K199-K252 HydrophobicContact CG-CG 4.41Å
200	F	98.7	Very high	96.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-85.6	152.1	-175.7	-64	-90.8	0	0	0	113	A198 S202 Y205 L226 P227 A234 V251 K252 Y257 I260	A198-F200 HydrophobicContact CB-CE2 4.12Å; F200-S202 VanDerWaalsContact C-N 3.25Å; F200-S202 PolarHBondContact O-N 2.79Å; F200-Y205 WeakPolarHBondContact O-CE2 3.38Å; F200-Y205 VanDerWaalsContact O-CZ 3.27Å; F200-Y205 PolarHBondContact O-OH 3.22Å; F200-L226 CarbonylContact C-O 3.55Å; F200-L226 VanDerWaalsContact CA-O 3.25Å; F200-L226 WeakPolarHBondContact CA-O 2.97Å; F200-L226 HydrophobicContact CD1-CB 3.75Å; F200-L226 HydrophobicContact CE1-CB 4.11Å; F200-L226 HydrophobicContact CE1-CD1 4.39Å; F200-L226 HydrophobicContact CG-CB 4.32Å; F200-P227 WeakPolarHBondContact CD1-O 3.14Å; F200-A234 HydrophobicContact CE1-CB 4.08Å; F200-A234 HydrophobicContact CE2-CB 4.37Å; F200-A234 HydrophobicContact CZ-CB 3.52Å; F200-V251 HydrophobicContact CE2-CG1 4.32Å; F200-K252 PolarHBondContact N-O 2.78Å; F200-Y257 HydrophobicContact CB-CE1 3.98Å; F200-Y257 HydrophobicContact CB-CE2 4.16Å; F200-Y257 WeakPolarHBondContact CB-OH 3.5Å; F200-Y257 HydrophobicContact CD1-CD1 4.1Å; F200-Y257 AromaticContact CD1-CE1 3.43Å; F200-Y257 HydrophobicContact CD1-CE1 3.43Å; F200-Y257 VanDerWaalsContact CD1-CE1 3.43Å; F200-Y257 AromaticContact CD1-CZ 3.97Å; F200-Y257 AromaticContact CD2-CD1 3.52Å; F200-Y257 HydrophobicContact CD2-CD1 3.52Å; F200-Y257 HydrophobicContact CD2-CD2 4.1Å; F200-Y257 AromaticContact CD2-CE1 3.49Å; F200-Y257 HydrophobicContact CD2-CE1 3.49Å; F200-Y257 VanDerWaalsContact CD2-CE1 3.49Å; F200-Y257 HydrophobicContact CD2-CE2 4.14Å; F200-Y257 AromaticContact CD2-CG 3.82Å; F200-Y257 HydrophobicContact CD2-CG 3.82Å; F200-Y257 AromaticContact CD2-CZ 3.83Å; F200-Y257 AromaticContact CE1-CD1 3.96Å; F200-Y257 HydrophobicContact CE1-CD1 3.96Å; F200-Y257 AromaticContact CE1-CE1 3.67Å; F200-Y257 HydrophobicContact CE1-CE1 3.67Å; F200-Y257 AromaticContact CE2-CD1 3.37Å; F200-Y257 HydrophobicContact CE2-CD1 3.37Å; F200-Y257 AromaticContact CE2-CE1 3.74Å; F200-Y257 HydrophobicContact CE2-CE1 3.74Å; F200-Y257 AromaticContact CE2-CG 3.82Å; F200-Y257 HydrophobicContact CE2-CG 3.82Å; F200-Y257 AromaticContact CG-CD1 3.89Å; F200-Y257 HydrophobicContact CG-CD1 3.89Å; F200-Y257 AromaticContact CG-CE1 3.33Å; F200-Y257 HydrophobicContact CG-CE1 3.33Å; F200-Y257 HydrophobicContact CG-CE2 4.2Å; F200-Y257 HydrophobicContact CG-CG 4.48Å; F200-Y257 AromaticContact CG-CZ 3.53Å; F200-Y257 AromaticContact CZ-CD1 3.6Å; F200-Y257 HydrophobicContact CZ-CD1 3.6Å; F200-Y257 AromaticContact CZ-CE1 3.82Å; F200-Y257 HydrophobicContact CZ-CE1 3.82Å; F200-Y257 HydrophobicContact CZ-CG 4.47Å; F200-I260 HydrophobicContact CE2-CG1 4.26Å; F200-I260 HydrophobicContact CE2-CG2 4.35Å; F200-I260 HydrophobicContact CZ-CD1 4.33Å; F200-I260 HydrophobicContact CZ-CG1 3.87Å; F200-I260 HydrophobicContact CZ-CG2 4.3Å
201	A	98	Very high	96.4	Very high	22 Å²	22	23 Å²	23	18%	0.182	14%	0.139	C	C	.	.			trans	-76.1	74.2	170.9	0	0	0	0	0	109.9	R222 Q225 L226	A201-R222 HydrophobicContact CB-CG 4.16Å; A201-Q225 HydrophobicContact CB-CB 3.72Å; A201-L226 PolarHBondContact N-O 3.49Å
202	S	97.5	Very high	95.9	Very high	14 Å²	14	22.8 Å²	22.8	10%	0.098	14%	0.138	C	C	.	.			trans	-97.6	150.2	-174.6	-179.2	0	0	0	0	113.1	F200 L204 Y205 P253	F200-S202 VanDerWaalsContact C-N 3.25Å; F200-S202 PolarHBondContact O-N 2.79Å; S202-L204 PolarHBondContact O-N 2.86Å; S202-L204 WeakPolarHBondContact OG-CB 3.45Å; S202-L204 WeakPolarHBondContact OG-CG 3.41Å; S202-L204 PolarHBondContact OG-N 3.26Å; S202-L204 VanDerWaalsContact OG-N 3.11Å; S202-Y205 VanDerWaalsContact O-CD2 3.25Å; S202-Y205 WeakPolarHBondContact O-CD2 3.42Å; S202-P253 VanDerWaalsContact CB-CG 3.44Å
203	C	96.4	Very high	95.3	Very high	119 Å²	119	25.8 Å²	25.8	80%	0.804	15%	0.149	S	C	*	.	G	3₁₀ helix	trans	-69.3	-15.5	168.9	60.3	0	0	0	0	113.1	Y205	C203-Y205 PolarHBondContact O-N 2.97Å
204	L	97.6	Very high	94.6	Very high	26 Å²	26	25.8 Å²	25.8	14%	0.136	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-76.5	8.7	-173.5	-59	177.9	0	0	0	114.6	S202 P253 P256 V278 S279 G280 E281 M284	S202-L204 PolarHBondContact O-N 2.86Å; S202-L204 WeakPolarHBondContact OG-CB 3.45Å; S202-L204 WeakPolarHBondContact OG-CG 3.41Å; S202-L204 PolarHBondContact OG-N 3.26Å; S202-L204 VanDerWaalsContact OG-N 3.11Å; L204-P253 HydrophobicContact CB-CG 4.47Å; L204-P253 HydrophobicContact CD1-CB 4.33Å; L204-P253 HydrophobicContact CD1-CG 4.42Å; L204-P256 HydrophobicContact CD1-CG 3.69Å; L204-V278 HydrophobicContact CB-CG2 3.65Å; L204-V278 VanDerWaalsContact O-CG2 3.27Å; L204-V278 WeakPolarHBondContact O-CG2 3.29Å; L204-S279 PolarHBondContact O-OG 2.95Å; L204-G280 VanDerWaalsContact O-CA 3.22Å; L204-G280 WeakPolarHBondContact O-CA 3.19Å; L204-G280 PolarHBondContact O-N 2.91Å; L204-E281 HydrophobicContact CD1-CG 3.84Å; L204-M284 HydrophobicContact CD1-CE 4.21Å; L204-M284 HydrophobicContact CD2-CE 3.67Å; L204-M284 HydrophobicContact CD2-SD 4.19Å
205	Y	96.5	Very high	93.9	Very high	11 Å²	11	28.4 Å²	28.4	4%	0.043	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-94.2	2	178.5	-55.7	-44.9	0	0	0	114.6	F200 S202 C203 F208 R209 K252 P253 V278	F200-Y205 WeakPolarHBondContact O-CE2 3.38Å; F200-Y205 VanDerWaalsContact O-CZ 3.27Å; F200-Y205 PolarHBondContact O-OH 3.22Å; S202-Y205 VanDerWaalsContact O-CD2 3.25Å; S202-Y205 WeakPolarHBondContact O-CD2 3.42Å; C203-Y205 PolarHBondContact O-N 2.97Å; Y205-F208 WeakPolarHBondContact O-CB 3.43Å; Y205-F208 PolarHBondContact O-N 3.19Å; Y205-F208 VanDerWaalsContact O-N 3.15Å; Y205-R209 PolarHBondContact O-N 3.28Å; Y205-R209 VanDerWaalsContact O-N 3.1Å; Y205-K252 HydrophobicContact CE1-CD 4.35Å; Y205-K252 HydrophobicContact CE1-CG 3.95Å; Y205-K252 PolarHBondContact OH-O 2.62Å; Y205-P253 HydrophobicContact CE1-CG 4.05Å; Y205-P253 WeakPolarHBondContact OH-CD 3.5Å; Y205-V278 HydrophobicContact CD1-CB 4.33Å; Y205-V278 HydrophobicContact CD1-CG1 4.42Å; Y205-V278 HydrophobicContact CD1-CG2 4.24Å; Y205-V278 HydrophobicContact CE1-CB 4.38Å; Y205-V278 HydrophobicContact CE1-CG1 4Å; Y205-V278 HydrophobicContact CE1-CG2 4.36Å
206	G	93.7	Very high	93.1	Very high	35 Å²	35	29.5 Å²	29.5	36%	0.361	18%	0.179	S	C	.	.	H	α-helix	trans	-45	-64.6	-175.1	0	0	0	0	0	113.3	F208 R209	G206-F208 VanDerWaalsContact C-N 3.29Å; G206-F208 PolarHBondContact O-N 3.28Å; G206-R209 WeakPolarHBondContact O-CB 3.08Å; G206-R209 PolarHBondContact O-N 2.79Å
207	P	94.1	Very high	92.4	Very high	20 Å²	20	33.3 Å²	33.3	13%	0.13	21%	0.205	C	C	.	.	H	α-helix	trans	-65.9	-27.6	-177	-16.8	26.3	0	0	0	114.8	S49 L50 R209 D210 A211 A283	S49-P207 WeakPolarHBondContact O-CB 3.31Å; S49-P207 WeakPolarHBondContact O-CG 3.3Å; L50-P207 HydrophobicContact CB-CB 4.19Å; L50-P207 HydrophobicContact CD1-CB 4.12Å; P207-R209 VanDerWaalsContact C-N 3.3Å; P207-R209 PolarHBondContact O-N 2.99Å; P207-D210 PolarHBondContact O-N 2.89Å; P207-A211 WeakPolarHBondContact O-CB 3.37Å; P207-A211 PolarHBondContact O-N 3.41Å; P207-A283 HydrophobicContact CG-CB 4.23Å
208	F	94.7	Very high	91.9	Very high	20 Å²	20	38.2 Å²	38.2	9%	0.088	23%	0.227	C	C	.	.	H	α-helix	trans	-63.8	-36.3	173.2	179	-88.5	0	0	0	111.9	F36 F79 Y205 G206 D210 A211 A212 S279 Y318	F36-F208 AromaticContact CE1-CD2 3.79Å; F36-F208 HydrophobicContact CE1-CD2 3.79Å; F36-F208 AromaticContact CE1-CE2 3.65Å; F36-F208 HydrophobicContact CE1-CE2 3.65Å; F36-F208 HydrophobicContact CE1-CZ 4.49Å; F36-F208 AromaticContact CZ-CD2 3.83Å; F36-F208 HydrophobicContact CZ-CD2 3.83Å; F36-F208 HydrophobicContact CZ-CE2 4.05Å; F79-F208 AromaticContact CD1-CE2 3.87Å; F79-F208 HydrophobicContact CD1-CE2 3.87Å; F79-F208 AromaticContact CD1-CZ 3.68Å; F79-F208 HydrophobicContact CD1-CZ 3.68Å; F79-F208 HydrophobicContact CD2-CE2 4.46Å; F79-F208 AromaticContact CE1-CE2 3.67Å; F79-F208 HydrophobicContact CE1-CE2 3.67Å; F79-F208 AromaticContact CE1-CZ 3.6Å; F79-F208 HydrophobicContact CE1-CZ 3.6Å; F79-F208 HydrophobicContact CE2-CE2 4.31Å; F79-F208 HydrophobicContact CG-CE2 4.25Å; F79-F208 HydrophobicContact CG-CZ 4.42Å; F79-F208 AromaticContact CZ-CE2 3.92Å; F79-F208 HydrophobicContact CZ-CE2 3.92Å; F79-F208 HydrophobicContact CZ-CZ 4.3Å; Y205-F208 WeakPolarHBondContact O-CB 3.43Å; Y205-F208 PolarHBondContact O-N 3.19Å; Y205-F208 VanDerWaalsContact O-N 3.15Å; G206-F208 VanDerWaalsContact C-N 3.29Å; G206-F208 PolarHBondContact O-N 3.28Å; F208-D210 VanDerWaalsContact C-N 3.29Å; F208-D210 PolarHBondContact O-N 3.29Å; F208-A211 PolarHBondContact O-N 3.14Å; F208-A212 HydrophobicContact CD1-CB 4.25Å; F208-A212 HydrophobicContact CE1-CB 3.75Å; F208-A212 HydrophobicContact CE2-CB 4.43Å; F208-A212 HydrophobicContact CZ-CB 3.86Å; F208-A212 WeakPolarHBondContact O-CB 3.44Å; F208-A212 PolarHBondContact O-N 3.38Å; F208-S279 VanDerWaalsContact CB-OG 3.27Å; F208-S279 WeakPolarHBondContact CB-OG 3.49Å; F208-S279 VanDerWaalsContact N-CB 3.32Å; F208-S279 PolarHBondContact N-OG 3.41Å; F208-S279 VanDerWaalsContact N-OG 3.09Å; F208-Y318 WeakPolarHBondContact CD2-OH 3.49Å
209	R	91.3	Very high	91.5	Very high	79 Å²	79	41.3 Å²	41.3	30%	0.298	26%	0.259	S	S	.	.	H	α-helix	trans	-64.3	-37.4	179	-67.9	179.2	-176.4	-155.2	3.1	111.4	Y205 G206 P207 Q213 S214	Y205-R209 PolarHBondContact O-N 3.28Å; Y205-R209 VanDerWaalsContact O-N 3.1Å; G206-R209 WeakPolarHBondContact O-CB 3.08Å; G206-R209 PolarHBondContact O-N 2.79Å; P207-R209 VanDerWaalsContact C-N 3.3Å; P207-R209 PolarHBondContact O-N 2.99Å; R209-Q213 VanDerWaalsContact O-CA 3.29Å; R209-Q213 WeakPolarHBondContact O-CA 3.16Å; R209-Q213 PolarHBondContact O-N 3.36Å; R209-S214 PolarHBondContact O-N 3.14Å; R209-S214 VanDerWaalsContact O-N 3.14Å
210	D	88.8	Confident	91.1	Very high	94 Å²	94	42.8 Å²	42.8	50%	0.503	27%	0.267	S	S	.	.	H	α-helix	trans	-67.9	-46.5	173.4	-59.5	-23.3	0	0	0	110.9	S49 P207 F208 A212 Q213	S49-D210 WeakPolarHBondContact CB-OD2 3.36Å; S49-D210 VanDerWaalsContact OG-CB 3.29Å; S49-D210 WeakPolarHBondContact OG-CB 3.49Å; S49-D210 PolarHBondContact OG-OD2 3.08Å; P207-D210 PolarHBondContact O-N 2.89Å; F208-D210 VanDerWaalsContact C-N 3.29Å; F208-D210 PolarHBondContact O-N 3.29Å; D210-A212 PolarHBondContact O-N 3.09Å; D210-Q213 PolarHBondContact O-N 3.39Å
211	A	89.3	Confident	90.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.9	-47.9	-179.6	0	0	0	0	0	112.7	F36 I47 L50 R55 P207 F208	F36-A211 HydrophobicContact CD1-CB 3.82Å; F36-A211 HydrophobicContact CD2-CB 4.22Å; F36-A211 HydrophobicContact CE1-CB 3.46Å; F36-A211 VanDerWaalsContact CE1-CB 3.46Å; F36-A211 HydrophobicContact CE2-CB 3.9Å; F36-A211 HydrophobicContact CG-CB 4.18Å; F36-A211 HydrophobicContact CZ-CB 3.5Å; F36-A211 VanDerWaalsContact CZ-CB 3.5Å; I47-A211 HydrophobicContact CD1-CB 3.71Å; I47-A211 HydrophobicContact CG2-CB 3.91Å; L50-A211 HydrophobicContact CD2-CB 4.46Å; R55-A211 WeakPolarHBondContact CD-O 3.29Å; P207-A211 WeakPolarHBondContact O-CB 3.37Å; P207-A211 PolarHBondContact O-N 3.41Å; F208-A211 PolarHBondContact O-N 3.14Å
212	A	86.9	Confident	90.7	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.033	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-0.2	-177.9	0	0	0	0	0	113.7	F36 F208 D210 S214	F36-A212 HydrophobicContact CD1-CB 4.49Å; F36-A212 HydrophobicContact CE1-CB 4.31Å; F208-A212 HydrophobicContact CD1-CB 4.25Å; F208-A212 HydrophobicContact CE1-CB 3.75Å; F208-A212 HydrophobicContact CE2-CB 4.43Å; F208-A212 HydrophobicContact CZ-CB 3.86Å; F208-A212 WeakPolarHBondContact O-CB 3.44Å; F208-A212 PolarHBondContact O-N 3.38Å; D210-A212 PolarHBondContact O-N 3.09Å; A212-S214 PolarHBondContact O-N 2.64Å; A212-S214 VanDerWaalsContact O-N 3.16Å
213	Q	86.5	Confident	90.5	Very high	83 Å²	83	57.9 Å²	57.9	39%	0.388	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.6	46	-175	-60.9	-173.9	-46.4	0	0	113	K87 R209 D210	K87-Q213 PolarHBondContact NZ-O 3.21Å; R209-Q213 VanDerWaalsContact O-CA 3.29Å; R209-Q213 WeakPolarHBondContact O-CA 3.16Å; R209-Q213 PolarHBondContact O-N 3.36Å; D210-Q213 PolarHBondContact O-N 3.39Å
214	S	85.1	Confident	90.4	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.007	29%	0.289	C	S	.	.			trans	-125.3	28.2	-165.2	64.3	0	0	0	0	113.5	R209 A212 R221	R209-S214 PolarHBondContact O-N 3.14Å; R209-S214 VanDerWaalsContact O-N 3.14Å; A212-S214 PolarHBondContact O-N 2.64Å; A212-S214 VanDerWaalsContact O-N 3.16Å; S214-R221 PolarHBondContact O-NH2 3.16Å
215	A	83.9	Confident	90.4	Very high	59 Å²	59	52.3 Å²	52.3	49%	0.488	28%	0.284	S	S	.	.			trans	-63.8	138.4	172.6	0	0	0	0	0	110.5
216	P	82.1	Confident	90.5	Very high	23 Å²	23	52.5 Å²	52.5	15%	0.149	29%	0.286	C	S	.	.			trans	-62.6	139.3	172.9	28.8	-33.9	0	0	0	109.7	F218	P216-F218 VanDerWaalsContact C-N 3.34Å
217	S	84.1	Confident	90.8	Very high	79 Å²	79	53.9 Å²	53.9	55%	0.552	29%	0.289	S	S	*	.	S	Bend	trans	-77.6	-22.9	-178.8	62.3	0	0	0	0	112.7	S129	S129-S217 WeakPolarHBondContact CA-OG 3.41Å; S129-S217 PolarHBondContact O-N 2.94Å; S129-S217 PolarHBondContact O-OG 3.15Å; S129-S217 VanDerWaalsContact O-OG 3.08Å
218	F	87.7	Confident	91	Very high	104 Å²	104	56.5 Å²	56.5	46%	0.456	31%	0.306	S	S	.	.	S	Bend	trans	-147.9	166.6	171.4	63.5	-89.4	0	0	0	110.8	H131 L135 P216	H131-F218 AromaticContact NE2-CE2 3.88Å; H131-F218 PolarHBondContact NE2-O 2.77Å; L135-F218 HydrophobicContact CD1-CE1 4.01Å; L135-F218 HydrophobicContact CD1-CE2 4.44Å; L135-F218 HydrophobicContact CD1-CZ 3.47Å; L135-F218 VanDerWaalsContact CD1-CZ 3.47Å; P216-F218 VanDerWaalsContact C-N 3.34Å
219	G	89.7	Confident	91.1	Very high	65 Å²	65	59.2 Å²	59.2	67%	0.67	34%	0.339	S	S	*	.	S	Bend	trans	55	-143.6	177.2	0	0	0	0	0	113.4
220	D	90.3	Very high	91.5	Very high	40 Å²	40	56.4 Å²	56.4	21%	0.214	33%	0.333	C	S	.	.			trans	-154.1	-175.4	178.6	64	67.3	0	0	0	111.9	H131 R222	H131-D220 PolarHBondContact CE1-O 3.48Å; D220-R222 WeakPolarHBondContact OD1-CA 3.42Å; D220-R222 WeakPolarHBondContact OD1-CB 3.19Å; D220-R222 WeakPolarHBondContact OD1-CG 3.43Å; D220-R222 PolarHBondContact OD1-N 2.85Å; D220-R222 IonicContact OD1-NE 3.49Å; D220-R222 PolarHBondContact OD1-NE 3.09Å; D220-R222 VanDerWaalsContact OD1-NE 3.1Å; D220-R222 IonicContact OD2-CZ 2.66Å; D220-R222 IonicContact OD2-NE 2.67Å; D220-R222 PolarHBondContact OD2-NE 3.24Å; D220-R222 IonicContact OD2-NH2 3.79Å; D220-R222 PolarHBondContact OD2-NH2 3.12Å
221	R	92.9	Very high	91.9	Very high	13 Å²	13	56.7 Å²	56.7	5%	0.049	33%	0.33	C	S	.	.	S	Bend	trans	-99.1	7.8	-174.4	-52.3	-157.8	168.2	166.9	5.1	114.3	C124 G130 S214 H223 Y224 Q225	C124-R221 VanDerWaalsContact CB-NH2 3.32Å; G130-R221 PolarHBondContact O-NH2 3.01Å; S214-R221 PolarHBondContact O-NH2 3.16Å; R221-H223 PolarHBondContact O-N 3.28Å; R221-Y224 HydrophobicContact CB-CD2 4.5Å; R221-Y224 HydrophobicContact CB-CE1 4.11Å; R221-Y224 HydrophobicContact CB-CE2 3.72Å; R221-Y224 VanDerWaalsContact CD-OH 3.29Å; R221-Y224 WeakPolarHBondContact CD-OH 3.43Å; R221-Y224 HydrophobicContact CG-CE2 4.1Å; R221-Y224 WeakPolarHBondContact CG-OH 3.33Å; R221-Y224 PolarHBondContact O-N 3.46Å; R221-Q225 HydrophobicContact CB-CB 4.43Å; R221-Q225 HydrophobicContact CB-CG 3.92Å; R221-Q225 WeakPolarHBondContact O-CB 3.42Å; R221-Q225 PolarHBondContact O-N 3.49Å
222	R	94.7	Very high	92.4	Very high	179 Å²	179	58.9 Å²	58.9	68%	0.675	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-13	-173.6	-64.7	178.2	-75.4	-175.3	-3.7	113.8	A201 D220 Y224	A201-R222 HydrophobicContact CB-CG 4.16Å; D220-R222 WeakPolarHBondContact OD1-CA 3.42Å; D220-R222 WeakPolarHBondContact OD1-CB 3.19Å; D220-R222 WeakPolarHBondContact OD1-CG 3.43Å; D220-R222 PolarHBondContact OD1-N 2.85Å; D220-R222 IonicContact OD1-NE 3.49Å; D220-R222 PolarHBondContact OD1-NE 3.09Å; D220-R222 VanDerWaalsContact OD1-NE 3.1Å; D220-R222 IonicContact OD2-CZ 2.66Å; D220-R222 IonicContact OD2-NE 2.67Å; D220-R222 PolarHBondContact OD2-NE 3.24Å; D220-R222 IonicContact OD2-NH2 3.79Å; D220-R222 PolarHBondContact OD2-NH2 3.12Å; R222-Y224 VanDerWaalsContact C-N 3.28Å; R222-Y224 PolarHBondContact O-N 2.83Å
223	H	93.1	Very high	92.9	Very high	162 Å²	162	62.4 Å²	62.4	75%	0.75	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-8.7	176	-58.8	95.5	0	0	0	113.8	R221	R221-H223 PolarHBondContact O-N 3.28Å
224	Y	96	Very high	93.5	Very high	21 Å²	21	58.4 Å²	58.4	8%	0.082	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.7	-34.6	-179.3	50.4	-87.4	0	0	0	113.2	H131 C132 L141 D169 M170 M171 R221 R222	H131-Y224 AromaticContact ND1-CE1 3.96Å; H131-Y224 PolarHBondContact ND1-OH 2.92Å; C132-Y224 HydrophobicContact CB-CD2 4.42Å; C132-Y224 HydrophobicContact CB-CE2 3.69Å; C132-Y224 PolarHBondContact N-OH 2.98Å; L141-Y224 HydrophobicContact CD1-CD1 3.54Å; L141-Y224 HydrophobicContact CD1-CE1 4.1Å; L141-Y224 HydrophobicContact CD1-CG 4.18Å; D169-Y224 WeakPolarHBondContact O-CD2 3.22Å; M170-Y224 HydrophobicContact CB-CD2 4.39Å; M170-Y224 WeakPolarHBondContact CB-O 3.36Å; M170-Y224 WeakPolarHBondContact CE-O 3.49Å; M171-Y224 HydrophobicContact CE-CD2 4.28Å; M171-Y224 HydrophobicContact CE-CG 4.18Å; R221-Y224 HydrophobicContact CB-CD2 4.5Å; R221-Y224 HydrophobicContact CB-CE1 4.11Å; R221-Y224 HydrophobicContact CB-CE2 3.72Å; R221-Y224 VanDerWaalsContact CD-OH 3.29Å; R221-Y224 WeakPolarHBondContact CD-OH 3.43Å; R221-Y224 HydrophobicContact CG-CE2 4.1Å; R221-Y224 WeakPolarHBondContact CG-OH 3.33Å; R221-Y224 PolarHBondContact O-N 3.46Å; R222-Y224 VanDerWaalsContact C-N 3.28Å; R222-Y224 PolarHBondContact O-N 2.83Å
225	Q	98	Very high	94.2	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.028	36%	0.357	C	S	.	.	S	Bend	trans	-72.7	136.6	167.2	-65.8	-175.3	-10.3	0	0	110.1	A201 R221	A201-Q225 HydrophobicContact CB-CB 3.72Å; R221-Q225 HydrophobicContact CB-CB 4.43Å; R221-Q225 HydrophobicContact CB-CG 3.92Å; R221-Q225 WeakPolarHBondContact O-CB 3.42Å; R221-Q225 PolarHBondContact O-N 3.49Å
226	L	98.5	Very high	94.9	Very high	15 Å²	15	65.1 Å²	65.1	8%	0.079	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-66.4	138.1	-171	-56.6	177.4	0	0	0	111.9	M170 A198 K199 F200 A201 L233 A234	M170-L226 HydrophobicContact CE-CD1 4.13Å; M170-L226 HydrophobicContact CE-CD2 3.58Å; M170-L226 HydrophobicContact CE-CG 3.58Å; A198-L226 HydrophobicContact CB-CD1 4.48Å; K199-L226 PolarHBondContact O-N 3.43Å; F200-L226 CarbonylContact C-O 3.55Å; F200-L226 VanDerWaalsContact CA-O 3.25Å; F200-L226 WeakPolarHBondContact CA-O 2.97Å; F200-L226 HydrophobicContact CD1-CB 3.75Å; F200-L226 HydrophobicContact CE1-CB 4.11Å; F200-L226 HydrophobicContact CE1-CD1 4.39Å; F200-L226 HydrophobicContact CG-CB 4.32Å; A201-L226 PolarHBondContact N-O 3.49Å; L226-L233 HydrophobicContact CD2-CB 4.18Å; L226-A234 HydrophobicContact CD1-CB 3.72Å
227	P	98.5	Very high	95.6	Very high	65 Å²	65	64.4 Å²	64.4	42%	0.422	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-58.9	140.8	172.4	-19.6	29.3	0	0	0	111	F200 G229 A230	F200-P227 WeakPolarHBondContact CD1-O 3.14Å; P227-G229 VanDerWaalsContact C-N 3.29Å; P227-G229 PolarHBondContact O-N 2.79Å; P227-G229 VanDerWaalsContact O-N 3.13Å; P227-A230 HydrophobicContact CB-CB 3.91Å; P227-A230 HydrophobicContact CG-CB 4.01Å; P227-A230 VanDerWaalsContact O-CB 3.26Å; P227-A230 WeakPolarHBondContact O-CB 3.42Å; P227-A230 PolarHBondContact O-N 3.49Å
228	P	98.3	Very high	96.3	Very high	75 Å²	75	60.7 Å²	60.7	49%	0.487	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-40.5	-174.8	-32.4	37.2	0	0	0	115.3	A230 Y257	P228-A230 VanDerWaalsContact C-N 3.34Å; P228-A230 PolarHBondContact O-N 3.22Å; P228-Y257 WeakPolarHBondContact CA-OH 3.44Å; P228-Y257 WeakPolarHBondContact CB-OH 3.39Å; P228-Y257 WeakPolarHBondContact O-CE1 3.32Å
229	G	98.1	Very high	96.9	Very high	77 Å²	77	58.6 Å²	58.6	79%	0.794	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-0.3	178.8	0	0	0	0	0	115	P227 K231	P227-G229 VanDerWaalsContact C-N 3.29Å; P227-G229 PolarHBondContact O-N 2.79Å; P227-G229 VanDerWaalsContact O-N 3.13Å; G229-K231 PolarHBondContact O-N 2.84Å
230	A	98.3	Very high	97.3	Very high	20 Å²	20	58.1 Å²	58.1	17%	0.165	31%	0.307	C	S	.	.			trans	-83.9	56.4	-170	0	0	0	0	0	113.3	P227 P228 G232 L233 A234	P227-A230 HydrophobicContact CB-CB 3.91Å; P227-A230 HydrophobicContact CG-CB 4.01Å; P227-A230 VanDerWaalsContact O-CB 3.26Å; P227-A230 WeakPolarHBondContact O-CB 3.42Å; P227-A230 PolarHBondContact O-N 3.49Å; P228-A230 VanDerWaalsContact C-N 3.34Å; P228-A230 PolarHBondContact O-N 3.22Å; A230-G232 VanDerWaalsContact C-N 3.34Å; A230-G232 PolarHBondContact O-N 2.72Å; A230-L233 HydrophobicContact CB-CB 4.1Å; A230-L233 HydrophobicContact CB-CD1 3.94Å; A230-L233 HydrophobicContact CB-CG 4.25Å; A230-L233 PolarHBondContact O-N 3.32Å; A230-A234 PolarHBondContact O-N 3.13Å; A230-A234 VanDerWaalsContact O-N 3.12Å
231	K	98.5	Very high	97.7	Very high	99 Å²	99	56.2 Å²	56.2	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-45	-54.3	177.2	-179.7	-177.6	-177.9	-167.2	0	112.5	G229 L233 A234 L235 I260 E263	G229-K231 PolarHBondContact O-N 2.84Å; K231-L233 VanDerWaalsContact C-N 3.29Å; K231-L233 PolarHBondContact O-N 3.47Å; K231-A234 WeakPolarHBondContact O-CB 3.27Å; K231-A234 PolarHBondContact O-N 3.2Å; K231-A234 VanDerWaalsContact O-N 3.07Å; K231-L235 WeakPolarHBondContact O-CG 3.35Å; K231-L235 PolarHBondContact O-N 3.05Å; K231-L235 VanDerWaalsContact O-N 3.13Å; K231-I260 HydrophobicContact CB-CD1 4.14Å; K231-I260 HydrophobicContact CG-CD1 3.81Å; K231-E263 WeakPolarHBondContact CE-OE1 3.25Å; K231-E263 WeakPolarHBondContact CE-OE2 3.09Å; K231-E263 IonicContact NZ-OE1 3.09Å; K231-E263 PolarHBondContact NZ-OE1 2.91Å; K231-E263 IonicContact NZ-OE2 2.81Å; K231-E263 PolarHBondContact NZ-OE2 3.01Å
232	G	98.6	Very high	98	Very high	46 Å²	46	56.1 Å²	56.1	47%	0.474	30%	0.299	S	S	.	.	H	α-helix	trans	-60.3	-33.5	-179	0	0	0	0	0	114.3	A230 R236	A230-G232 VanDerWaalsContact C-N 3.34Å; A230-G232 PolarHBondContact O-N 2.72Å; G232-R236 WeakPolarHBondContact O-CB 3.43Å; G232-R236 VanDerWaalsContact O-CG 3.26Å; G232-R236 WeakPolarHBondContact O-CG 3.48Å; G232-R236 PolarHBondContact O-N 2.87Å
233	L	98.6	Very high	98.2	Very high	78 Å²	78	54.1 Å²	54.1	41%	0.408	30%	0.301	S	S	.	.	H	α-helix	trans	-71.1	-39.5	174.9	-70	179.4	0	0	0	111.6	L226 A230 K231 L235 R236 A237	L226-L233 HydrophobicContact CD2-CB 4.18Å; A230-L233 HydrophobicContact CB-CB 4.1Å; A230-L233 HydrophobicContact CB-CD1 3.94Å; A230-L233 HydrophobicContact CB-CG 4.25Å; A230-L233 PolarHBondContact O-N 3.32Å; K231-L233 VanDerWaalsContact C-N 3.29Å; K231-L233 PolarHBondContact O-N 3.47Å; L233-L235 PolarHBondContact O-N 3.39Å; L233-R236 PolarHBondContact O-N 3.21Å; L233-A237 WeakPolarHBondContact O-CB 3.48Å; L233-A237 PolarHBondContact O-N 3.44Å
234	A	98.7	Very high	98.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-45	177.4	0	0	0	0	0	112.3	A198 F200 L226 A230 K231 A237 A238 I260	A198-A234 HydrophobicContact CB-CB 4Å; F200-A234 HydrophobicContact CE1-CB 4.08Å; F200-A234 HydrophobicContact CE2-CB 4.37Å; F200-A234 HydrophobicContact CZ-CB 3.52Å; L226-A234 HydrophobicContact CD1-CB 3.72Å; A230-A234 PolarHBondContact O-N 3.13Å; A230-A234 VanDerWaalsContact O-N 3.12Å; K231-A234 WeakPolarHBondContact O-CB 3.27Å; K231-A234 PolarHBondContact O-N 3.2Å; K231-A234 VanDerWaalsContact O-N 3.07Å; A234-A237 PolarHBondContact O-N 3.08Å; A234-A238 PolarHBondContact O-N 3.21Å; A234-I260 HydrophobicContact CB-CG2 4.17Å
235	L	98.7	Very high	98.5	Very high	23 Å²	23	48.6 Å²	48.6	12%	0.12	28%	0.284	C	S	.	.	H	α-helix	trans	-64.6	-46.2	177.1	-53.3	179.7	0	0	0	111.4	K231 L233 A237 A238 I239 E263 L264 L267	K231-L235 WeakPolarHBondContact O-CG 3.35Å; K231-L235 PolarHBondContact O-N 3.05Å; K231-L235 VanDerWaalsContact O-N 3.13Å; L233-L235 PolarHBondContact O-N 3.39Å; L235-A237 VanDerWaalsContact C-N 3.33Å; L235-A237 PolarHBondContact O-N 3.36Å; L235-A238 PolarHBondContact O-N 2.97Å; L235-I239 WeakPolarHBondContact O-CB 3.46Å; L235-I239 VanDerWaalsContact O-CG1 3.24Å; L235-I239 WeakPolarHBondContact O-CG1 3.27Å; L235-I239 PolarHBondContact O-N 3.31Å; L235-E263 HydrophobicContact CD1-CG 4.03Å; L235-E263 VanDerWaalsContact CD1-OE2 3.31Å; L235-E263 WeakPolarHBondContact CD1-OE2 3.32Å; L235-E263 HydrophobicContact CD2-CB 4.18Å; L235-E263 HydrophobicContact CD2-CG 3.91Å; L235-E263 WeakPolarHBondContact CD2-OE2 3.34Å; L235-L264 HydrophobicContact CD2-CD2 3.59Å; L235-L264 HydrophobicContact CD2-CG 4.07Å; L235-L267 HydrophobicContact CB-CD1 4.26Å; L235-L267 HydrophobicContact CD1-CD1 3.94Å; L235-L267 HydrophobicContact CD2-CD1 4.06Å; L235-L267 HydrophobicContact CG-CD1 4.28Å
236	R	98.7	Very high	98.6	Very high	177 Å²	177	48.4 Å²	48.4	67%	0.668	28%	0.283	S	S	*	.	H	α-helix	trans	-61	-40.8	178	-73.5	175.5	64.1	-141	-4.4	112.4	G232 L233 R240	G232-R236 WeakPolarHBondContact O-CB 3.43Å; G232-R236 VanDerWaalsContact O-CG 3.26Å; G232-R236 WeakPolarHBondContact O-CG 3.48Å; G232-R236 PolarHBondContact O-N 2.87Å; L233-R236 PolarHBondContact O-N 3.21Å; R236-R240 VanDerWaalsContact O-CB 3.29Å; R236-R240 WeakPolarHBondContact O-CB 3.28Å; R236-R240 PolarHBondContact O-N 3.13Å
237	A	98.8	Very high	98.6	Very high	9 Å²	9	50.5 Å²	50.5	7%	0.074	30%	0.295	C	S	.	.	H	α-helix	trans	-65.4	-43.8	177.7	0	0	0	0	0	111.8	S197 L233 A234 L235 R240 D241	S197-A237 WeakPolarHBondContact O-CB 3.33Å; L233-A237 WeakPolarHBondContact O-CB 3.48Å; L233-A237 PolarHBondContact O-N 3.44Å; A234-A237 PolarHBondContact O-N 3.08Å; L235-A237 VanDerWaalsContact C-N 3.33Å; L235-A237 PolarHBondContact O-N 3.36Å; A237-R240 WeakPolarHBondContact O-CB 3.3Å; A237-R240 PolarHBondContact O-N 3.5Å; A237-D241 PolarHBondContact O-N 2.94Å; A237-D241 VanDerWaalsContact O-OD1 3.04Å
238	A	98.7	Very high	98.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.5	-42.5	176.4	0	0	0	0	0	113.6	A234 L235 R240 D241 A242 I249 L264 L268	A234-A238 PolarHBondContact O-N 3.21Å; L235-A238 PolarHBondContact O-N 2.97Å; A238-R240 VanDerWaalsContact C-N 3.33Å; A238-R240 PolarHBondContact O-N 3.43Å; A238-D241 PolarHBondContact O-N 3.22Å; A238-A242 WeakPolarHBondContact O-CB 3.47Å; A238-A242 PolarHBondContact O-N 2.87Å; A238-I249 HydrophobicContact CB-CG2 3.88Å; A238-L264 HydrophobicContact CB-CD1 3.89Å; A238-L264 HydrophobicContact CB-CD2 3.4Å; A238-L264 HydrophobicContact CB-CG 4.32Å; A238-L268 HydrophobicContact CB-CD1 4.16Å
239	I	98.6	Very high	98.6	Very high	61 Å²	61	46.1 Å²	46.1	31%	0.313	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-41.7	175.1	-66.6	168.6	0	0	0	110.5	L235 A242 N243 L267 L268	L235-I239 WeakPolarHBondContact O-CB 3.46Å; L235-I239 VanDerWaalsContact O-CG1 3.24Å; L235-I239 WeakPolarHBondContact O-CG1 3.27Å; L235-I239 PolarHBondContact O-N 3.31Å; I239-A242 PolarHBondContact O-N 3.18Å; I239-N243 WeakPolarHBondContact O-CB 3.33Å; I239-N243 VanDerWaalsContact O-CG 3.23Å; I239-N243 PolarHBondContact O-N 3.48Å; I239-N243 PolarHBondContact O-ND2 3.3Å; I239-L267 HydrophobicContact CD1-CD1 4.45Å; I239-L268 HydrophobicContact CG1-CD2 4.45Å
240	R	98.8	Very high	98.6	Very high	54 Å²	54	42.5 Å²	42.5	20%	0.204	22%	0.224	C	C	.	.	H	α-helix	trans	-56	-52.9	172.9	173.8	-163	64.3	-165.4	-1.8	110.5	D172 R236 A237 A238 A242 N243 E244	D172-R240 IonicContact OD1-CZ 3.6Å; D172-R240 IonicContact OD1-NH1 2.71Å; D172-R240 PolarHBondContact OD1-NH1 2.76Å; R236-R240 VanDerWaalsContact O-CB 3.29Å; R236-R240 WeakPolarHBondContact O-CB 3.28Å; R236-R240 PolarHBondContact O-N 3.13Å; A237-R240 WeakPolarHBondContact O-CB 3.3Å; A237-R240 PolarHBondContact O-N 3.5Å; A238-R240 VanDerWaalsContact C-N 3.33Å; A238-R240 PolarHBondContact O-N 3.43Å; R240-A242 VanDerWaalsContact C-N 3.32Å; R240-A242 PolarHBondContact O-N 3.13Å; R240-N243 CarbonylContact O-C 3.25Å; R240-N243 WeakPolarHBondContact O-CB 3.26Å; R240-N243 PolarHBondContact O-N 2.9Å; R240-N243 VanDerWaalsContact O-N 3.09Å; R240-E244 VanDerWaalsContact CD-OE1 3.29Å; R240-E244 WeakPolarHBondContact CD-OE1 3.47Å; R240-E244 HydrophobicContact CG-CG 4.2Å; R240-E244 WeakPolarHBondContact CG-OE1 3.24Å; R240-E244 IonicContact NE-OE1 3.83Å; R240-E244 WeakPolarHBondContact O-CB 3.49Å; R240-E244 WeakPolarHBondContact O-CG 3.33Å; R240-E244 PolarHBondContact O-N 3.29Å
241	D	98.8	Very high	98.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-39.8	-176.1	-65.8	-0.6	0	0	0	112.6	R174 V175 S195 S197 A237 A238 E244 G245 A246 I249	R174-D241 IonicContact CZ-OD1 3.19Å; R174-D241 IonicContact CZ-OD2 3.64Å; R174-D241 VanDerWaalsContact NH1-CG 3.33Å; R174-D241 IonicContact NH1-OD1 3.66Å; R174-D241 PolarHBondContact NH1-OD1 2.76Å; R174-D241 IonicContact NH1-OD2 3.63Å; R174-D241 PolarHBondContact NH1-OD2 3.09Å; R174-D241 IonicContact NH2-OD1 3.28Å; R174-D241 IonicContact NH2-OD2 3.39Å; R174-D241 PolarHBondContact NH2-OD2 3.49Å; V175-D241 HydrophobicContact CG2-CB 4.06Å; S195-D241 PolarHBondContact OG-OD2 3.31Å; S197-D241 WeakPolarHBondContact CA-OD2 3.47Å; S197-D241 WeakPolarHBondContact CB-OD2 3.36Å; S197-D241 PolarHBondContact OG-OD2 3.36Å; A237-D241 PolarHBondContact O-N 2.94Å; A237-D241 VanDerWaalsContact O-OD1 3.04Å; A238-D241 PolarHBondContact O-N 3.22Å; D241-E244 CarbonylContact O-C 3.53Å; D241-E244 PolarHBondContact O-N 3.45Å; D241-G245 PolarHBondContact O-N 3.41Å; D241-A246 HydrophobicContact CB-CB 4.19Å; D241-A246 VanDerWaalsContact O-CB 3.25Å; D241-A246 WeakPolarHBondContact O-CB 3.49Å; D241-A246 PolarHBondContact O-N 2.92Å; D241-I249 HydrophobicContact CB-CD1 4.14Å
242	A	98.6	Very high	98.7	Very high	12 Å²	12	37.1 Å²	37.1	10%	0.099	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-47.3	172.1	0	0	0	0	0	111.1	A238 I239 R240 E244 G245 I249 L268	A238-A242 WeakPolarHBondContact O-CB 3.47Å; A238-A242 PolarHBondContact O-N 2.87Å; I239-A242 PolarHBondContact O-N 3.18Å; R240-A242 VanDerWaalsContact C-N 3.32Å; R240-A242 PolarHBondContact O-N 3.13Å; A242-E244 VanDerWaalsContact C-N 3.26Å; A242-E244 PolarHBondContact O-N 2.88Å; A242-G245 PolarHBondContact O-N 3.35Å; A242-I249 HydrophobicContact CB-CD1 4.07Å; A242-L268 HydrophobicContact CB-CD1 4.24Å; A242-L268 HydrophobicContact CB-CD2 3.94Å
243	N	98.5	Very high	98.7	Very high	137 Å²	137	34.9 Å²	34.9	73%	0.733	17%	0.174	S	C	*	.	H	α-helix	trans	-66.6	-26.1	176.7	-68.8	-22.4	0	0	0	113.5	I239 R240	I239-N243 WeakPolarHBondContact O-CB 3.33Å; I239-N243 VanDerWaalsContact O-CG 3.23Å; I239-N243 PolarHBondContact O-N 3.48Å; I239-N243 PolarHBondContact O-ND2 3.3Å; R240-N243 CarbonylContact O-C 3.25Å; R240-N243 WeakPolarHBondContact O-CB 3.26Å; R240-N243 PolarHBondContact O-N 2.9Å; R240-N243 VanDerWaalsContact O-N 3.09Å
244	E	98.7	Very high	98.7	Very high	39 Å²	39	31.2 Å²	31.2	18%	0.182	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-3.5	173.8	-72.7	-175.6	-166.7	0	0	113.1	G173 V175 K176 R240 D241 A242	G173-E244 WeakPolarHBondContact CA-OE1 3.23Å; G173-E244 WeakPolarHBondContact CA-OE2 3.46Å; V175-E244 HydrophobicContact CB-CB 3.88Å; V175-E244 WeakPolarHBondContact CB-OE2 3.3Å; V175-E244 HydrophobicContact CG1-CB 3.78Å; V175-E244 PolarHBondContact N-OE2 3.42Å; K176-E244 HydrophobicContact CB-CB 3.94Å; K176-E244 HydrophobicContact CB-CG 3.85Å; K176-E244 PolarHBondContact N-OE2 3.44Å; R240-E244 VanDerWaalsContact CD-OE1 3.29Å; R240-E244 WeakPolarHBondContact CD-OE1 3.47Å; R240-E244 HydrophobicContact CG-CG 4.2Å; R240-E244 WeakPolarHBondContact CG-OE1 3.24Å; R240-E244 IonicContact NE-OE1 3.83Å; R240-E244 WeakPolarHBondContact O-CB 3.49Å; R240-E244 WeakPolarHBondContact O-CG 3.33Å; R240-E244 PolarHBondContact O-N 3.29Å; D241-E244 CarbonylContact O-C 3.53Å; D241-E244 PolarHBondContact O-N 3.45Å; A242-E244 VanDerWaalsContact C-N 3.26Å; A242-E244 PolarHBondContact O-N 2.88Å
245	G	98.3	Very high	98.7	Very high	27 Å²	27	34.5 Å²	34.5	28%	0.278	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.8	19.9	173.6	0	0	0	0	0	115.2	K179 D241 A242 D247	K179-G245 VanDerWaalsContact CD-O 3.23Å; K179-G245 WeakPolarHBondContact CD-O 3.48Å; K179-G245 WeakPolarHBondContact CE-O 3.41Å; K179-G245 PolarHBondContact NZ-O 3.32Å; D241-G245 PolarHBondContact O-N 3.41Å; A242-G245 PolarHBondContact O-N 3.35Å; G245-D247 PolarHBondContact O-N 2.97Å
246	A	98.7	Very high	98.7	Very high	2 Å²	2	36.7 Å²	36.7	2%	0.017	19%	0.187	C	C	.	.			trans	-60.6	124.5	170.2	0	0	0	0	0	110.3	V175 D241 F248 I249 H271	V175-A246 HydrophobicContact CG1-CB 3.85Å; D241-A246 HydrophobicContact CB-CB 4.19Å; D241-A246 VanDerWaalsContact O-CB 3.25Å; D241-A246 WeakPolarHBondContact O-CB 3.49Å; D241-A246 PolarHBondContact O-N 2.92Å; A246-F248 VanDerWaalsContact C-N 3.34Å; A246-I249 HydrophobicContact CB-CD1 3.95Å; A246-H271 PolarHBondContact O-CD2 3.05Å
247	D	98.8	Very high	98.7	Very high	60 Å²	60	29.1 Å²	29.1	32%	0.321	16%	0.159	S	C	.	.	S	Bend	trans	-76.2	-28.1	178.7	-52.8	-81	0	0	0	111.1	K179 A192 V193 G245	K179-D247 VanDerWaalsContact NZ-CG 3.34Å; K179-D247 IonicContact NZ-OD1 3.09Å; K179-D247 PolarHBondContact NZ-OD1 2.85Å; K179-D247 VanDerWaalsContact NZ-OD1 3.09Å; K179-D247 IonicContact NZ-OD2 3.75Å; K179-D247 PolarHBondContact NZ-OD2 3.28Å; A192-D247 WeakPolarHBondContact CA-OD2 3.34Å; A192-D247 HydrophobicContact CB-CB 4.02Å; V193-D247 PolarHBondContact N-OD2 3.5Å; V193-D247 PolarHBondContact O-N 3.41Å; G245-D247 PolarHBondContact O-N 2.97Å
248	F	98.8	Very high	98.7	Very high	46 Å²	46	30.2 Å²	30.2	20%	0.202	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	147.3	173.7	-45.5	-80.4	0	0	0	111.3	V164 A192 V193 M194 S195 A246 P272 I314	V164-F248 HydrophobicContact CG1-CD2 4.41Å; V164-F248 HydrophobicContact CG1-CE2 4.44Å; V164-F248 HydrophobicContact CG2-CE2 4.43Å; A192-F248 HydrophobicContact CB-CD2 4.25Å; A192-F248 HydrophobicContact CB-CE2 3.58Å; A192-F248 HydrophobicContact CB-CZ 4.47Å; V193-F248 PolarHBondContact O-N 3.12Å; M194-F248 HydrophobicContact CB-CB 3.96Å; M194-F248 HydrophobicContact CB-CD2 3.9Å; M194-F248 HydrophobicContact CB-CG 4.35Å; M194-F248 HydrophobicContact CE-CB 4.13Å; M194-F248 HydrophobicContact CE-CD2 3.95Å; M194-F248 HydrophobicContact CE-CE2 4.5Å; M194-F248 HydrophobicContact CE-CG 4Å; M194-F248 HydrophobicContact CG-CB 3.84Å; S195-F248 PolarHBondContact N-O 3.09Å; A246-F248 VanDerWaalsContact C-N 3.34Å; F248-P272 HydrophobicContact CD1-CB 3.7Å; F248-P272 HydrophobicContact CD1-CG 3.66Å; F248-P272 HydrophobicContact CE1-CB 4.06Å; F248-P272 HydrophobicContact CE1-CG 3.76Å; F248-I314 HydrophobicContact CD1-CD1 4.01Å; F248-I314 HydrophobicContact CE1-CD1 4.22Å
249	I	98.6	Very high	98.7	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	149.8	177.1	-57.5	-64.1	0	0	0	108.5	S197 A238 D241 A242 A246 L264 L268 H271 P272 L273 A274	S197-I249 WeakPolarHBondContact OG-CD1 3.31Å; A238-I249 HydrophobicContact CB-CG2 3.88Å; D241-I249 HydrophobicContact CB-CD1 4.14Å; A242-I249 HydrophobicContact CB-CD1 4.07Å; A246-I249 HydrophobicContact CB-CD1 3.95Å; I249-L264 HydrophobicContact CG2-CD1 4.19Å; I249-L268 HydrophobicContact CD1-CD1 4.47Å; I249-L268 HydrophobicContact CG1-CD1 4.01Å; I249-L268 HydrophobicContact CG2-CD1 4.38Å; I249-H271 HydrophobicContact CG1-CB 4.16Å; I249-P272 PolarHBondContact N-O 3.05Å; I249-L273 HydrophobicContact CB-CD1 4.1Å; I249-L273 HydrophobicContact CG2-CD1 3.95Å; I249-A274 PolarHBondContact O-N 3.32Å
250	M	98.9	Very high	98.7	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	143.5	180	-170.4	-170.2	-52.8	0	0	113.7	M194 S195 Y196 S197 A198 A274 Y276 I316	M194-M250 HydrophobicContact CG-CE 3.59Å; M194-M250 HydrophobicContact SD-CE 3.42Å; M194-M250 WeakPolarHBondContact SD-CE 3.34Å; S195-M250 WeakPolarHBondContact O-CB 3.21Å; S195-M250 PolarHBondContact O-N 2.75Å; Y196-M250 HydrophobicContact CD1-CE 4.39Å; Y196-M250 HydrophobicContact CD1-SD 3.52Å; Y196-M250 VanDerWaalsContact CD1-SD 3.52Å; Y196-M250 HydrophobicContact CD2-CE 4.31Å; Y196-M250 HydrophobicContact CD2-SD 4.45Å; Y196-M250 HydrophobicContact CE1-CE 4.25Å; Y196-M250 HydrophobicContact CE1-SD 3.53Å; Y196-M250 VanDerWaalsContact CE1-SD 3.53Å; Y196-M250 HydrophobicContact CE2-CE 4.22Å; Y196-M250 HydrophobicContact CG-CE 4.45Å; Y196-M250 HydrophobicContact CG-SD 4.05Å; S197-M250 PolarHBondContact N-O 2.66Å; A198-M250 PolarHBondContact N-O 2.82Å; M250-A274 VanDerWaalsContact CA-O 3.25Å; M250-A274 WeakPolarHBondContact CA-O 3.38Å; M250-A274 HydrophobicContact CB-CB 3.97Å; M250-A274 HydrophobicContact CE-CB 4.13Å; M250-A274 HydrophobicContact CG-CB 3.78Å; M250-Y276 HydrophobicContact SD-CD2 4.03Å; M250-I316 HydrophobicContact CE-CD1 3.28Å; M250-I316 HydrophobicContact SD-CD1 3.69Å
251	V	98.9	Very high	98.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134	166.6	-172.6	0	0	0	0	110.6	A198 F200 I260 V261 L264 L273 A274 Y276	A198-V251 HydrophobicContact CB-CG1 4.49Å; A198-V251 HydrophobicContact CB-CG2 4.3Å; F200-V251 HydrophobicContact CE2-CG1 4.32Å; V251-I260 HydrophobicContact CG1-CB 4.29Å; V251-I260 HydrophobicContact CG1-CG2 4.18Å; V251-I260 HydrophobicContact CG2-CG2 4.09Å; V251-V261 HydrophobicContact CB-CG2 3.76Å; V251-V261 HydrophobicContact CG1-CG2 4.01Å; V251-V261 HydrophobicContact CG2-CB 4.47Å; V251-V261 HydrophobicContact CG2-CG2 3.78Å; V251-L264 HydrophobicContact CG2-CD1 3.61Å; V251-L273 HydrophobicContact CG2-CD1 4.43Å; V251-A274 PolarHBondContact N-O 3.01Å; V251-Y276 PolarHBondContact O-N 2.74Å
252	K	98.9	Very high	98.7	Very high	5 Å²	5	32.5 Å²	32.5	2%	0.022	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	125.6	178	177.5	168.6	-178.8	164.1	0	110.8	Y196 A198 K199 F200 Y205 Y276 V278	Y196-K252 HydrophobicContact CD1-CB 4.38Å; Y196-K252 HydrophobicContact CD1-CD 3.69Å; Y196-K252 HydrophobicContact CE1-CD 3.55Å; A198-K252 PolarHBondContact O-N 3.34Å; K199-K252 CarbonylContact C-O 3.53Å; K199-K252 VanDerWaalsContact CA-O 3.29Å; K199-K252 WeakPolarHBondContact CA-O 3.49Å; K199-K252 HydrophobicContact CG-CB 4.41Å; K199-K252 HydrophobicContact CG-CD 4.4Å; K199-K252 HydrophobicContact CG-CG 4.41Å; F200-K252 PolarHBondContact N-O 2.78Å; Y205-K252 HydrophobicContact CE1-CD 4.35Å; Y205-K252 HydrophobicContact CE1-CG 3.95Å; Y205-K252 PolarHBondContact OH-O 2.62Å; K252-Y276 HydrophobicContact CD-CD2 3.84Å; K252-Y276 HydrophobicContact CD-CG 3.95Å; K252-Y276 HydrophobicContact CG-CG 4.33Å; K252-V278 HydrophobicContact CD-CG1 4.27Å; K252-V278 HydrophobicContact CG-CG1 3.69Å
253	P	98.8	Very high	98.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.185	C	C	.	.	S	Bend	cis	-64.6	176.7	-5.3	-19	31.6	0	0	0	115.3	S202 L204 Y205 P256 Y257 Y276 V278 E281	S202-P253 VanDerWaalsContact CB-CG 3.44Å; L204-P253 HydrophobicContact CB-CG 4.47Å; L204-P253 HydrophobicContact CD1-CB 4.33Å; L204-P253 HydrophobicContact CD1-CG 4.42Å; Y205-P253 HydrophobicContact CE1-CG 4.05Å; Y205-P253 WeakPolarHBondContact OH-CD 3.5Å; P253-P256 HydrophobicContact CB-CG 4.09Å; P253-Y257 HydrophobicContact CB-CD2 4.04Å; P253-Y257 HydrophobicContact CB-CE2 4.15Å; P253-Y257 VanDerWaalsContact CD-CE2 3.42Å; P253-Y257 HydrophobicContact CG-CD2 4.17Å; P253-Y257 HydrophobicContact CG-CE2 3.82Å; P253-Y276 CarbonylContact C-O 3.57Å; P253-V278 HydrophobicContact CB-CG1 3.94Å; P253-V278 HydrophobicContact CB-CG2 3.93Å; P253-V278 HydrophobicContact CG-CG1 4.41Å; P253-V278 HydrophobicContact CG-CG2 4.24Å; P253-E281 VanDerWaalsContact CB-OE2 3.27Å; P253-E281 WeakPolarHBondContact CB-OE2 3.49Å
254	G	98.6	Very high	98.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-90.6	-78.6	-176	0	0	0	0	0	113.9	Y257 L258 Y276 E281	G254-Y257 CarbonylContact O-C 3.44Å; G254-Y257 WeakPolarHBondContact O-CA 3.4Å; G254-Y257 PolarHBondContact O-N 3.31Å; G254-L258 PolarHBondContact O-N 2.85Å; G254-Y276 PolarHBondContact N-O 3.43Å; G254-E281 PolarHBondContact N-OE2 2.83Å
255	L	98.2	Very high	98.7	Very high	69 Å²	69	30.4 Å²	30.4	36%	0.361	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-52.7	-46	-169.8	-178	61.9	0	0	0	114.3	Y257 L258 E281 L303 F307	L255-Y257 PolarHBondContact O-N 3.48Å; L255-L258 HydrophobicContact CD1-CD1 3.99Å; L255-L258 WeakPolarHBondContact O-CG 3.45Å; L255-E281 WeakPolarHBondContact CA-OE1 3.47Å; L255-E281 WeakPolarHBondContact CB-OE1 3.46Å; L255-E281 PolarHBondContact N-OE1 3.39Å; L255-L303 HydrophobicContact CD1-CD2 3.71Å; L255-L303 HydrophobicContact CD2-CD2 3.75Å; L255-L303 HydrophobicContact CG-CD2 4.26Å; L255-F307 HydrophobicContact CB-CE1 4.48Å; L255-F307 HydrophobicContact CB-CZ 4.49Å
256	P	98.5	Very high	98.7	Very high	69 Å²	69	35.3 Å²	35.3	45%	0.448	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-74.5	-3.9	178.6	26.1	-30.7	0	0	0	114.4	L204 P253	L204-P256 HydrophobicContact CD1-CG 3.69Å; P253-P256 HydrophobicContact CB-CG 4.09Å
257	Y	98.8	Very high	98.6	Very high	18 Å²	18	39.3 Å²	39.3	7%	0.071	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-126.8	26.6	-177.1	-60	-85.8	0	0	0	112.2	F200 P228 P253 G254 L255 D259 I260 V261	F200-Y257 HydrophobicContact CB-CE1 3.98Å; F200-Y257 HydrophobicContact CB-CE2 4.16Å; F200-Y257 WeakPolarHBondContact CB-OH 3.5Å; F200-Y257 HydrophobicContact CD1-CD1 4.1Å; F200-Y257 AromaticContact CD1-CE1 3.43Å; F200-Y257 HydrophobicContact CD1-CE1 3.43Å; F200-Y257 VanDerWaalsContact CD1-CE1 3.43Å; F200-Y257 AromaticContact CD1-CZ 3.97Å; F200-Y257 AromaticContact CD2-CD1 3.52Å; F200-Y257 HydrophobicContact CD2-CD1 3.52Å; F200-Y257 HydrophobicContact CD2-CD2 4.1Å; F200-Y257 AromaticContact CD2-CE1 3.49Å; F200-Y257 HydrophobicContact CD2-CE1 3.49Å; F200-Y257 VanDerWaalsContact CD2-CE1 3.49Å; F200-Y257 HydrophobicContact CD2-CE2 4.14Å; F200-Y257 AromaticContact CD2-CG 3.82Å; F200-Y257 HydrophobicContact CD2-CG 3.82Å; F200-Y257 AromaticContact CD2-CZ 3.83Å; F200-Y257 AromaticContact CE1-CD1 3.96Å; F200-Y257 HydrophobicContact CE1-CD1 3.96Å; F200-Y257 AromaticContact CE1-CE1 3.67Å; F200-Y257 HydrophobicContact CE1-CE1 3.67Å; F200-Y257 AromaticContact CE2-CD1 3.37Å; F200-Y257 HydrophobicContact CE2-CD1 3.37Å; F200-Y257 AromaticContact CE2-CE1 3.74Å; F200-Y257 HydrophobicContact CE2-CE1 3.74Å; F200-Y257 AromaticContact CE2-CG 3.82Å; F200-Y257 HydrophobicContact CE2-CG 3.82Å; F200-Y257 AromaticContact CG-CD1 3.89Å; F200-Y257 HydrophobicContact CG-CD1 3.89Å; F200-Y257 AromaticContact CG-CE1 3.33Å; F200-Y257 HydrophobicContact CG-CE1 3.33Å; F200-Y257 HydrophobicContact CG-CE2 4.2Å; F200-Y257 HydrophobicContact CG-CG 4.48Å; F200-Y257 AromaticContact CG-CZ 3.53Å; F200-Y257 AromaticContact CZ-CD1 3.6Å; F200-Y257 HydrophobicContact CZ-CD1 3.6Å; F200-Y257 AromaticContact CZ-CE1 3.82Å; F200-Y257 HydrophobicContact CZ-CE1 3.82Å; F200-Y257 HydrophobicContact CZ-CG 4.47Å; P228-Y257 WeakPolarHBondContact CA-OH 3.44Å; P228-Y257 WeakPolarHBondContact CB-OH 3.39Å; P228-Y257 WeakPolarHBondContact O-CE1 3.32Å; P253-Y257 HydrophobicContact CB-CD2 4.04Å; P253-Y257 HydrophobicContact CB-CE2 4.15Å; P253-Y257 VanDerWaalsContact CD-CE2 3.42Å; P253-Y257 HydrophobicContact CG-CD2 4.17Å; P253-Y257 HydrophobicContact CG-CE2 3.82Å; G254-Y257 CarbonylContact O-C 3.44Å; G254-Y257 WeakPolarHBondContact O-CA 3.4Å; G254-Y257 PolarHBondContact O-N 3.31Å; L255-Y257 PolarHBondContact O-N 3.48Å; Y257-D259 VanDerWaalsContact C-OD1 3.32Å; Y257-D259 WeakPolarHBondContact CA-OD1 3.23Å; Y257-D259 PolarHBondContact O-N 3.31Å; Y257-I260 HydrophobicContact CD1-CG1 4.1Å; Y257-I260 WeakPolarHBondContact O-CB 3.32Å; Y257-I260 PolarHBondContact O-N 2.98Å; Y257-V261 PolarHBondContact O-N 3.28Å
258	L	98.8	Very high	98.6	Very high	33 Å²	33	37.5 Å²	37.5	17%	0.173	19%	0.186	C	C	.	.	H	α-helix	trans	-60.2	-27.5	176	-71.5	178.8	0	0	0	112.7	G254 L255 V261 N262 A306 F307 A310	G254-L258 PolarHBondContact O-N 2.85Å; L255-L258 HydrophobicContact CD1-CD1 3.99Å; L255-L258 WeakPolarHBondContact O-CG 3.45Å; L258-V261 PolarHBondContact O-N 3.05Å; L258-N262 WeakPolarHBondContact O-CB 3.38Å; L258-N262 PolarHBondContact O-N 2.85Å; L258-A306 HydrophobicContact CD1-CB 4.06Å; L258-F307 HydrophobicContact CD2-CD1 3.53Å; L258-F307 HydrophobicContact CD2-CE1 3.89Å; L258-A310 HydrophobicContact CB-CB 4.26Å; L258-A310 HydrophobicContact CD2-CB 3.79Å
259	D	98.7	Very high	98.6	Very high	87 Å²	87	38 Å²	38	47%	0.465	19%	0.194	S	C	.	.	H	α-helix	trans	-62.7	-42.8	171.6	65.2	-48.3	0	0	0	111.5	Y257 N262 E263	Y257-D259 VanDerWaalsContact C-OD1 3.32Å; Y257-D259 WeakPolarHBondContact CA-OD1 3.23Å; Y257-D259 PolarHBondContact O-N 3.31Å; D259-N262 PolarHBondContact O-N 2.94Å; D259-E263 WeakPolarHBondContact O-CB 3.38Å; D259-E263 PolarHBondContact O-N 2.91Å
260	I	98.8	Very high	98.5	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-66.9	-40.8	174.9	-53.9	-61.1	0	0	0	110.9	A198 F200 K231 A234 V251 Y257 N262 E263 L264	A198-I260 HydrophobicContact CB-CG2 4.21Å; F200-I260 HydrophobicContact CE2-CG1 4.26Å; F200-I260 HydrophobicContact CE2-CG2 4.35Å; F200-I260 HydrophobicContact CZ-CD1 4.33Å; F200-I260 HydrophobicContact CZ-CG1 3.87Å; F200-I260 HydrophobicContact CZ-CG2 4.3Å; K231-I260 HydrophobicContact CB-CD1 4.14Å; K231-I260 HydrophobicContact CG-CD1 3.81Å; A234-I260 HydrophobicContact CB-CG2 4.17Å; V251-I260 HydrophobicContact CG1-CB 4.29Å; V251-I260 HydrophobicContact CG1-CG2 4.18Å; V251-I260 HydrophobicContact CG2-CG2 4.09Å; Y257-I260 HydrophobicContact CD1-CG1 4.1Å; Y257-I260 WeakPolarHBondContact O-CB 3.32Å; Y257-I260 PolarHBondContact O-N 2.98Å; I260-N262 VanDerWaalsContact C-N 3.34Å; I260-N262 PolarHBondContact O-N 2.97Å; I260-E263 PolarHBondContact O-N 2.85Å; I260-L264 HydrophobicContact CG2-CD1 4.07Å; I260-L264 HydrophobicContact CG2-CG 4.23Å; I260-L264 WeakPolarHBondContact O-CB 3.26Å; I260-L264 VanDerWaalsContact O-CG 3.31Å; I260-L264 WeakPolarHBondContact O-CG 3.48Å; I260-L264 PolarHBondContact O-N 3.04Å
261	V	98.8	Very high	98.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.8	-48.8	174.6	179.8	0	0	0	0	110.3	V251 Y257 L258 L264 R265 L273 V275 A310 A312	V251-V261 HydrophobicContact CB-CG2 3.76Å; V251-V261 HydrophobicContact CG1-CG2 4.01Å; V251-V261 HydrophobicContact CG2-CB 4.47Å; V251-V261 HydrophobicContact CG2-CG2 3.78Å; Y257-V261 PolarHBondContact O-N 3.28Å; L258-V261 PolarHBondContact O-N 3.05Å; V261-L264 PolarHBondContact O-N 2.68Å; V261-R265 WeakPolarHBondContact O-CB 3.47Å; V261-R265 PolarHBondContact O-N 3.45Å; V261-L273 HydrophobicContact CG1-CD2 3.68Å; V261-L273 HydrophobicContact CG1-CG 4.45Å; V261-L273 VanDerWaalsContact O-CD2 3.23Å; V261-L273 WeakPolarHBondContact O-CD2 3.42Å; V261-V275 HydrophobicContact CG2-CB 4.41Å; V261-V275 HydrophobicContact CG2-CG2 3.95Å; V261-A310 CarbonylContact C-O 3.57Å; V261-A310 HydrophobicContact CB-CB 4Å; V261-A310 HydrophobicContact CG1-CB 3.79Å; V261-A312 HydrophobicContact CG1-CB 4.11Å
262	N	98.6	Very high	98.4	Very high	72 Å²	72	51 Å²	51	39%	0.385	26%	0.259	S	S	.	.	H	α-helix	trans	-63	-43.6	179.5	177.2	58.4	0	0	0	112.9	L258 D259 I260 R265 Q266 A310	L258-N262 WeakPolarHBondContact O-CB 3.38Å; L258-N262 PolarHBondContact O-N 2.85Å; D259-N262 PolarHBondContact O-N 2.94Å; I260-N262 VanDerWaalsContact C-N 3.34Å; I260-N262 PolarHBondContact O-N 2.97Å; N262-R265 PolarHBondContact O-N 3.19Å; N262-Q266 PolarHBondContact ND2-NE2 3.47Å; N262-Q266 WeakPolarHBondContact O-CG 3.43Å; N262-Q266 PolarHBondContact O-N 3.47Å; N262-Q266 VanDerWaalsContact O-N 3.16Å; N262-A310 WeakPolarHBondContact CA-O 3.29Å; N262-A310 PolarHBondContact N-O 3.44Å
263	E	98.6	Very high	98.4	Very high	41 Å²	41	51 Å²	51	19%	0.192	26%	0.259	C	S	.	.	H	α-helix	trans	-70.3	-39.3	-180	-167.2	172.5	-142.4	0	0	112.7	K231 L235 D259 I260 R265 Q266 L267	K231-E263 WeakPolarHBondContact CE-OE1 3.25Å; K231-E263 WeakPolarHBondContact CE-OE2 3.09Å; K231-E263 IonicContact NZ-OE1 3.09Å; K231-E263 PolarHBondContact NZ-OE1 2.91Å; K231-E263 IonicContact NZ-OE2 2.81Å; K231-E263 PolarHBondContact NZ-OE2 3.01Å; L235-E263 HydrophobicContact CD1-CG 4.03Å; L235-E263 VanDerWaalsContact CD1-OE2 3.31Å; L235-E263 WeakPolarHBondContact CD1-OE2 3.32Å; L235-E263 HydrophobicContact CD2-CB 4.18Å; L235-E263 HydrophobicContact CD2-CG 3.91Å; L235-E263 WeakPolarHBondContact CD2-OE2 3.34Å; D259-E263 WeakPolarHBondContact O-CB 3.38Å; D259-E263 PolarHBondContact O-N 2.91Å; I260-E263 PolarHBondContact O-N 2.85Å; E263-R265 VanDerWaalsContact C-N 3.3Å; E263-R265 PolarHBondContact O-N 2.87Å; E263-Q266 PolarHBondContact O-N 2.93Å; E263-Q266 VanDerWaalsContact O-N 3.15Å; E263-L267 HydrophobicContact CG-CD1 4.12Å; E263-L267 WeakPolarHBondContact O-CG 3.1Å; E263-L267 PolarHBondContact O-N 2.84Å
264	L	98.7	Very high	98.4	Very high	1 Å²	1	51 Å²	51	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-36.6	172.5	-71.4	-176.9	0	0	0	111.9	A198 L235 A238 I249 V251 I260 V261 Q266 L267 L268 L273	A198-L264 HydrophobicContact CB-CD1 4.24Å; L235-L264 HydrophobicContact CD2-CD2 3.59Å; L235-L264 HydrophobicContact CD2-CG 4.07Å; A238-L264 HydrophobicContact CB-CD1 3.89Å; A238-L264 HydrophobicContact CB-CD2 3.4Å; A238-L264 HydrophobicContact CB-CG 4.32Å; I249-L264 HydrophobicContact CG2-CD1 4.19Å; V251-L264 HydrophobicContact CG2-CD1 3.61Å; I260-L264 HydrophobicContact CG2-CD1 4.07Å; I260-L264 HydrophobicContact CG2-CG 4.23Å; I260-L264 WeakPolarHBondContact O-CB 3.26Å; I260-L264 VanDerWaalsContact O-CG 3.31Å; I260-L264 WeakPolarHBondContact O-CG 3.48Å; I260-L264 PolarHBondContact O-N 3.04Å; V261-L264 PolarHBondContact O-N 2.68Å; L264-Q266 VanDerWaalsContact C-N 3.25Å; L264-Q266 PolarHBondContact O-N 2.5Å; L264-L267 PolarHBondContact O-N 3.2Å; L264-L268 HydrophobicContact CD2-CD1 4.5Å; L264-L268 WeakPolarHBondContact O-CA 3.15Å; L264-L268 WeakPolarHBondContact O-CB 3.31Å; L264-L268 PolarHBondContact O-N 3.31Å; L264-L273 HydrophobicContact CB-CD1 4.39Å; L264-L273 HydrophobicContact CB-CD2 4.27Å; L264-L273 HydrophobicContact CD1-CD1 4.46Å
265	R	98.2	Very high	98.5	Very high	101 Å²	101	51 Å²	51	38%	0.381	26%	0.259	S	S	.	.	H	α-helix	trans	-60.8	-36.5	173.6	-179.4	61.1	-179	160.3	7	112	V261 N262 E263 P269 L273	V261-R265 WeakPolarHBondContact O-CB 3.47Å; V261-R265 PolarHBondContact O-N 3.45Å; N262-R265 PolarHBondContact O-N 3.19Å; E263-R265 VanDerWaalsContact C-N 3.3Å; E263-R265 PolarHBondContact O-N 2.87Å; R265-P269 PolarHBondContact NH1-O 3.14Å; R265-P269 VanDerWaalsContact O-CA 3.3Å; R265-P269 WeakPolarHBondContact O-CA 3.15Å; R265-L273 HydrophobicContact CB-CD2 4.11Å
266	Q	98.3	Very high	98.5	Very high	130 Å²	130	47.8 Å²	47.8	61%	0.607	24%	0.242	S	C	*	.	H	α-helix	trans	-73.3	-40.1	177.2	-67.9	175.7	24.3	0	0	112.6	N262 E263 L264	N262-Q266 PolarHBondContact ND2-NE2 3.47Å; N262-Q266 WeakPolarHBondContact O-CG 3.43Å; N262-Q266 PolarHBondContact O-N 3.47Å; N262-Q266 VanDerWaalsContact O-N 3.16Å; E263-Q266 PolarHBondContact O-N 2.93Å; E263-Q266 VanDerWaalsContact O-N 3.15Å; L264-Q266 VanDerWaalsContact C-N 3.25Å; L264-Q266 PolarHBondContact O-N 2.5Å
267	L	98.3	Very high	98.5	Very high	87 Å²	87	44.5 Å²	44.5	46%	0.455	22%	0.221	S	C	.	.	H	α-helix	trans	-79.7	-29.4	-178.1	-68.9	172.2	0	0	0	113.5	L235 I239 E263 L264 P269	L235-L267 HydrophobicContact CB-CD1 4.26Å; L235-L267 HydrophobicContact CD1-CD1 3.94Å; L235-L267 HydrophobicContact CD2-CD1 4.06Å; L235-L267 HydrophobicContact CG-CD1 4.28Å; I239-L267 HydrophobicContact CD1-CD1 4.45Å; E263-L267 HydrophobicContact CG-CD1 4.12Å; E263-L267 WeakPolarHBondContact O-CG 3.1Å; E263-L267 PolarHBondContact O-N 2.84Å; L264-L267 PolarHBondContact O-N 3.2Å; L267-P269 WeakPolarHBondContact O-CD 3.17Å
268	L	98.4	Very high	98.5	Very high	21 Å²	21	43.7 Å²	43.7	11%	0.11	22%	0.218	C	C	.	.			trans	-125.7	56.4	-177.7	-59.4	172.3	0	0	0	110.8	A238 I239 A242 I249 L264 H270 H271	A238-L268 HydrophobicContact CB-CD1 4.16Å; I239-L268 HydrophobicContact CG1-CD2 4.45Å; A242-L268 HydrophobicContact CB-CD1 4.24Å; A242-L268 HydrophobicContact CB-CD2 3.94Å; I249-L268 HydrophobicContact CD1-CD1 4.47Å; I249-L268 HydrophobicContact CG1-CD1 4.01Å; I249-L268 HydrophobicContact CG2-CD1 4.38Å; L264-L268 HydrophobicContact CD2-CD1 4.5Å; L264-L268 WeakPolarHBondContact O-CA 3.15Å; L264-L268 WeakPolarHBondContact O-CB 3.31Å; L264-L268 PolarHBondContact O-N 3.31Å; L268-H270 PolarHBondContact O-N 3.3Å; L268-H270 VanDerWaalsContact O-N 3.09Å; L268-H271 HydrophobicContact CB-CB 4.41Å; L268-H271 PolarHBondContact O-N 3.23Å; L268-H271 VanDerWaalsContact O-N 3.12Å
269	P	97.6	Very high	98.5	Very high	56 Å²	56	42.1 Å²	42.1	36%	0.364	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.7	-171.2	27.8	-36.1	0	0	0	113.7	R265 L267	R265-P269 PolarHBondContact NH1-O 3.14Å; R265-P269 VanDerWaalsContact O-CA 3.3Å; R265-P269 WeakPolarHBondContact O-CA 3.15Å; L267-P269 WeakPolarHBondContact O-CD 3.17Å
270	H	97.2	Very high	98.4	Very high	175 Å²	175	38.4 Å²	38.4	81%	0.81	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-6.9	-178.3	-54.6	-56.4	0	0	0	114	L268	L268-H270 PolarHBondContact O-N 3.3Å; L268-H270 VanDerWaalsContact O-N 3.09Å
271	H	98.2	Very high	98.4	Very high	53 Å²	53	38.4 Å²	38.4	25%	0.245	19%	0.191	C	C	.	.	S	Bend	trans	-97.6	135.6	174	-64.3	77.7	0	0	0	109.4	A246 I249 L268	A246-H271 PolarHBondContact O-CD2 3.05Å; I249-H271 HydrophobicContact CG1-CB 4.16Å; L268-H271 HydrophobicContact CB-CB 4.41Å; L268-H271 PolarHBondContact O-N 3.23Å; L268-H271 VanDerWaalsContact O-N 3.12Å
272	P	98.3	Very high	98.4	Very high	49 Å²	49	38.7 Å²	38.7	32%	0.318	19%	0.192	S	C	.	.			trans	-66.6	137.4	166.3	-8.7	23.7	0	0	0	109.3	F248 I249 S313 I314	F248-P272 HydrophobicContact CD1-CB 3.7Å; F248-P272 HydrophobicContact CD1-CG 3.66Å; F248-P272 HydrophobicContact CE1-CB 4.06Å; F248-P272 HydrophobicContact CE1-CG 3.76Å; I249-P272 PolarHBondContact N-O 3.05Å; P272-S313 WeakPolarHBondContact CB-OG 3.37Å; P272-I314 HydrophobicContact CB-CD1 4.48Å
273	L	98.7	Very high	98.3	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.1	-171.3	-178.3	61.8	0	0	0	109.5	I249 V251 V261 L264 R265 A312 S313 I314	I249-L273 HydrophobicContact CB-CD1 4.1Å; I249-L273 HydrophobicContact CG2-CD1 3.95Å; V251-L273 HydrophobicContact CG2-CD1 4.43Å; V261-L273 HydrophobicContact CG1-CD2 3.68Å; V261-L273 HydrophobicContact CG1-CG 4.45Å; V261-L273 VanDerWaalsContact O-CD2 3.23Å; V261-L273 WeakPolarHBondContact O-CD2 3.42Å; L264-L273 HydrophobicContact CB-CD1 4.39Å; L264-L273 HydrophobicContact CB-CD2 4.27Å; L264-L273 HydrophobicContact CD1-CD1 4.46Å; R265-L273 HydrophobicContact CB-CD2 4.11Å; L273-A312 CarbonylContact O-C 3.48Å; L273-A312 VanDerWaalsContact O-CA 3.31Å; L273-A312 WeakPolarHBondContact O-CA 3.46Å; L273-S313 PolarHBondContact N-OG 3.06Å; L273-S313 VanDerWaalsContact N-OG 3.14Å; L273-S313 PolarHBondContact O-N 3Å; L273-S313 PolarHBondContact O-OG 3.04Å; L273-I314 PolarHBondContact O-N 3.18Å
274	A	98.9	Very high	98.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	149.3	172.8	0	0	0	0	0	111.3	M194 I249 M250 V251 I314	M194-A274 HydrophobicContact SD-CB 4.07Å; I249-A274 PolarHBondContact O-N 3.32Å; M250-A274 VanDerWaalsContact CA-O 3.25Å; M250-A274 WeakPolarHBondContact CA-O 3.38Å; M250-A274 HydrophobicContact CB-CB 3.97Å; M250-A274 HydrophobicContact CE-CB 4.13Å; M250-A274 HydrophobicContact CG-CB 3.78Å; V251-A274 PolarHBondContact N-O 3.01Å; A274-I314 CarbonylContact C-O 3.54Å; A274-I314 VanDerWaalsContact CA-O 3.26Å; A274-I314 WeakPolarHBondContact CA-O 3.4Å; A274-I314 HydrophobicContact CB-CB 3.92Å; A274-I314 HydrophobicContact CB-CG2 4.13Å
275	V	98.9	Very high	98.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.1	168.1	66.6	0	0	0	0	109.5	V261 F307 A312 I314 I315 I316	V261-V275 HydrophobicContact CG2-CB 4.41Å; V261-V275 HydrophobicContact CG2-CG2 3.95Å; V275-F307 HydrophobicContact CB-CD1 4.39Å; V275-F307 HydrophobicContact CG1-CB 3.75Å; V275-F307 HydrophobicContact CG1-CD1 3.68Å; V275-F307 HydrophobicContact CG1-CD2 4.29Å; V275-F307 HydrophobicContact CG1-CE1 4.42Å; V275-F307 HydrophobicContact CG1-CG 3.64Å; V275-F307 HydrophobicContact CG2-CD1 3.85Å; V275-F307 HydrophobicContact CG2-CE1 4.03Å; V275-A312 HydrophobicContact CB-CB 3.93Å; V275-A312 HydrophobicContact CG1-CB 3.52Å; V275-I314 PolarHBondContact N-O 3.22Å; V275-I315 HydrophobicContact CG1-CB 4.46Å; V275-I315 HydrophobicContact CG1-CG1 4.08Å; V275-I315 HydrophobicContact CG1-CG2 4.33Å; V275-I316 PolarHBondContact O-N 3.19Å
276	Y	98.9	Very high	98.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	109.9	178.6	-155.6	-47.5	0	0	0	110	P34 L77 F79 Y196 M250 V251 K252 P253 G254 V278 I316 Y318	P34-Y276 HydrophobicContact CG-CE1 4.33Å; P34-Y276 WeakPolarHBondContact CG-OH 3.4Å; L77-Y276 HydrophobicContact CD2-CE2 3.72Å; F79-Y276 WeakPolarHBondContact CE2-OH 2.67Å; F79-Y276 HydrophobicContact CZ-CE2 4.1Å; F79-Y276 WeakPolarHBondContact CZ-OH 3.43Å; Y196-Y276 AromaticContact CE1-CD2 3.77Å; Y196-Y276 HydrophobicContact CE1-CD2 3.77Å; Y196-Y276 HydrophobicContact CE1-CE2 4.12Å; M250-Y276 HydrophobicContact SD-CD2 4.03Å; V251-Y276 PolarHBondContact O-N 2.74Å; K252-Y276 HydrophobicContact CD-CD2 3.84Å; K252-Y276 HydrophobicContact CD-CG 3.95Å; K252-Y276 HydrophobicContact CG-CG 4.33Å; P253-Y276 CarbonylContact C-O 3.57Å; G254-Y276 PolarHBondContact N-O 3.43Å; Y276-V278 HydrophobicContact CD1-CB 4.3Å; Y276-V278 HydrophobicContact CD1-CG1 3.73Å; Y276-V278 HydrophobicContact CE1-CG1 4.48Å; Y276-V278 HydrophobicContact CG-CG1 4.18Å; Y276-V278 WeakPolarHBondContact O-CG1 3.5Å; Y276-V278 PolarHBondContact O-N 3.03Å; Y276-I316 HydrophobicContact CD1-CB 4.33Å; Y276-I316 HydrophobicContact CD1-CG2 4.1Å; Y276-I316 HydrophobicContact CD2-CB 4.05Å; Y276-I316 HydrophobicContact CD2-CD1 3.92Å; Y276-I316 HydrophobicContact CD2-CG2 3.79Å; Y276-I316 HydrophobicContact CE1-CG2 3.91Å; Y276-I316 HydrophobicContact CE2-CB 4.38Å; Y276-I316 HydrophobicContact CE2-CD1 4.4Å; Y276-I316 HydrophobicContact CE2-CG2 3.6Å; Y276-I316 HydrophobicContact CG-CB 4.03Å; Y276-I316 HydrophobicContact CG-CG2 4.04Å; Y276-Y318 HydrophobicContact CE1-CE2 4Å; Y276-Y318 AromaticContact CE1-CZ 3.98Å; Y276-Y318 PolarHBondContact OH-OH 3.14Å; Y276-Y318 VanDerWaalsContact OH-OH 3.08Å
277	H	98.7	Very high	98.2	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	94.1	167.8	178.1	-131.8	0	0	0	109.1	E281 Y282 F307 I316 T317	H277-E281 WeakPolarHBondContact CD2-CB 3.36Å; H277-E281 IonicContact CD2-OE1 3.08Å; H277-E281 WeakPolarHBondContact NE2-CB 3.49Å; H277-Y282 PolarHBondContact NE2-N 3.39Å; H277-F307 HydrophobicContact CB-CE2 3.86Å; H277-F307 HydrophobicContact CB-CZ 4Å; H277-I316 PolarHBondContact N-O 2.89Å; H277-T317 PolarHBondContact ND1-OG1 3.39Å
278	V	98.7	Very high	98.2	Very high	1 Å²	1	32 Å²	32	1%	0.006	17%	0.169	C	C	.	.			trans	-79	172	-163	-50	0	0	0	0	112.9	L204 Y205 K252 P253 Y276 G280 E281 Y282	L204-V278 HydrophobicContact CB-CG2 3.65Å; L204-V278 VanDerWaalsContact O-CG2 3.27Å; L204-V278 WeakPolarHBondContact O-CG2 3.29Å; Y205-V278 HydrophobicContact CD1-CB 4.33Å; Y205-V278 HydrophobicContact CD1-CG1 4.42Å; Y205-V278 HydrophobicContact CD1-CG2 4.24Å; Y205-V278 HydrophobicContact CE1-CB 4.38Å; Y205-V278 HydrophobicContact CE1-CG1 4Å; Y205-V278 HydrophobicContact CE1-CG2 4.36Å; K252-V278 HydrophobicContact CD-CG1 4.27Å; K252-V278 HydrophobicContact CG-CG1 3.69Å; P253-V278 HydrophobicContact CB-CG1 3.94Å; P253-V278 HydrophobicContact CB-CG2 3.93Å; P253-V278 HydrophobicContact CG-CG1 4.41Å; P253-V278 HydrophobicContact CG-CG2 4.24Å; Y276-V278 HydrophobicContact CD1-CB 4.3Å; Y276-V278 HydrophobicContact CD1-CG1 3.73Å; Y276-V278 HydrophobicContact CE1-CG1 4.48Å; Y276-V278 HydrophobicContact CG-CG1 4.18Å; Y276-V278 WeakPolarHBondContact O-CG1 3.5Å; Y276-V278 PolarHBondContact O-N 3.03Å; V278-G280 VanDerWaalsContact C-N 3.28Å; V278-G280 PolarHBondContact O-N 2.81Å; V278-E281 HydrophobicContact CG2-CG 3.96Å; V278-E281 WeakPolarHBondContact CG2-OE2 3.29Å; V278-E281 PolarHBondContact N-OE2 3.09Å; V278-E281 WeakPolarHBondContact O-CB 3.46Å; V278-E281 PolarHBondContact O-N 2.65Å; V278-Y282 PolarHBondContact O-N 3.4Å
279	S	98.3	Very high	98.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-53.4	-40.5	-174.9	52.7	0	0	0	0	114.4	L204 F208 A283	L204-S279 PolarHBondContact O-OG 2.95Å; F208-S279 VanDerWaalsContact CB-OG 3.27Å; F208-S279 WeakPolarHBondContact CB-OG 3.49Å; F208-S279 VanDerWaalsContact N-CB 3.32Å; F208-S279 PolarHBondContact N-OG 3.41Å; F208-S279 VanDerWaalsContact N-OG 3.09Å; S279-A283 VanDerWaalsContact O-CB 3.31Å; S279-A283 WeakPolarHBondContact O-CB 3.46Å; S279-A283 PolarHBondContact O-N 3.46Å
280	G	98.1	Very high	98.1	Very high	8 Å²	8	34.4 Å²	34.4	8%	0.082	18%	0.182	C	C	.	.	H	α-helix	trans	-72.5	-37.1	178.7	0	0	0	0	0	112.4	L204 V278 A283 M284	L204-G280 VanDerWaalsContact O-CA 3.22Å; L204-G280 WeakPolarHBondContact O-CA 3.19Å; L204-G280 PolarHBondContact O-N 2.91Å; V278-G280 VanDerWaalsContact C-N 3.28Å; V278-G280 PolarHBondContact O-N 2.81Å; G280-A283 PolarHBondContact O-N 2.92Å; G280-M284 WeakPolarHBondContact O-CB 3.36Å; G280-M284 VanDerWaalsContact O-CG 3.24Å; G280-M284 WeakPolarHBondContact O-CG 3.21Å; G280-M284 PolarHBondContact O-N 3.44Å
281	E	98.4	Very high	98.2	Very high	4 Å²	4	30 Å²	30	2%	0.019	18%	0.175	C	C	.	.	H	α-helix	trans	-63.9	-46.1	173.8	-58.6	171.9	71.2	0	0	111	L204 P253 G254 L255 H277 V278 A283 M284 L285	L204-E281 HydrophobicContact CD1-CG 3.84Å; P253-E281 VanDerWaalsContact CB-OE2 3.27Å; P253-E281 WeakPolarHBondContact CB-OE2 3.49Å; G254-E281 PolarHBondContact N-OE2 2.83Å; L255-E281 WeakPolarHBondContact CA-OE1 3.47Å; L255-E281 WeakPolarHBondContact CB-OE1 3.46Å; L255-E281 PolarHBondContact N-OE1 3.39Å; H277-E281 WeakPolarHBondContact CD2-CB 3.36Å; H277-E281 IonicContact CD2-OE1 3.08Å; H277-E281 WeakPolarHBondContact NE2-CB 3.49Å; V278-E281 HydrophobicContact CG2-CG 3.96Å; V278-E281 WeakPolarHBondContact CG2-OE2 3.29Å; V278-E281 PolarHBondContact N-OE2 3.09Å; V278-E281 WeakPolarHBondContact O-CB 3.46Å; V278-E281 PolarHBondContact O-N 2.65Å; E281-A283 PolarHBondContact O-N 2.96Å; E281-M284 HydrophobicContact CB-CE 4.28Å; E281-M284 HydrophobicContact CG-CE 4.15Å; E281-M284 PolarHBondContact O-N 2.92Å; E281-L285 PolarHBondContact O-N 2.69Å
282	Y	98.5	Very high	98.2	Very high	6 Å²	6	30.6 Å²	30.6	2%	0.024	20%	0.196	C	C	.	.	H	α-helix	trans	-57.8	-47.5	173.6	175.8	-95.8	0	0	0	112.4	L50 I51 H277 V278 L285 K286 Y318 L319	L50-Y282 HydrophobicContact CD1-CD1 3.64Å; L50-Y282 HydrophobicContact CD1-CE1 4.26Å; L50-Y282 HydrophobicContact CD1-CG 4.44Å; L50-Y282 HydrophobicContact CG-CD1 4.37Å; I51-Y282 HydrophobicContact CB-CE1 4.23Å; I51-Y282 WeakPolarHBondContact O-CE1 3.46Å; I51-Y282 PolarHBondContact O-OH 3Å; H277-Y282 PolarHBondContact NE2-N 3.39Å; V278-Y282 PolarHBondContact O-N 3.4Å; Y282-L285 PolarHBondContact O-N 3.48Å; Y282-K286 HydrophobicContact CD1-CG 4.3Å; Y282-K286 HydrophobicContact CD2-CG 4.39Å; Y282-K286 HydrophobicContact CE1-CG 3.8Å; Y282-K286 HydrophobicContact CE2-CD 4.35Å; Y282-K286 HydrophobicContact CE2-CG 3.93Å; Y282-K286 WeakPolarHBondContact O-CB 3.18Å; Y282-K286 WeakPolarHBondContact O-CG 3.12Å; Y282-K286 PolarHBondContact O-N 3.35Å; Y282-Y318 HydrophobicContact CG-CD2 4.13Å; Y282-Y318 HydrophobicContact CG-CG 4.42Å; Y282-L319 HydrophobicContact CD2-CD2 4.06Å; Y282-L319 HydrophobicContact CD2-CG 3.87Å; Y282-L319 HydrophobicContact CE2-CD2 3.67Å; Y282-L319 HydrophobicContact CE2-CG 3.9Å
283	A	97.4	Very high	98.1	Very high	10 Å²	10	31.9 Å²	31.9	8%	0.083	21%	0.211	C	C	.	.	H	α-helix	trans	-64	-43	177.9	0	0	0	0	0	111.7	P207 S279 G280 E281 L285 K286 H287	P207-A283 HydrophobicContact CG-CB 4.23Å; S279-A283 VanDerWaalsContact O-CB 3.31Å; S279-A283 WeakPolarHBondContact O-CB 3.46Å; S279-A283 PolarHBondContact O-N 3.46Å; G280-A283 PolarHBondContact O-N 2.92Å; E281-A283 PolarHBondContact O-N 2.96Å; A283-L285 VanDerWaalsContact C-N 3.32Å; A283-L285 PolarHBondContact O-N 3.12Å; A283-K286 PolarHBondContact O-N 3.29Å; A283-H287 WeakPolarHBondContact O-CB 2.9Å; A283-H287 PolarHBondContact O-CD2 3.45Å; A283-H287 PolarHBondContact O-N 2.83Å
284	M	97.7	Very high	98.1	Very high	100 Å²	100	34.9 Å²	34.9	49%	0.493	23%	0.226	S	C	.	.	H	α-helix	trans	-54.7	-48.7	175.1	-77.4	-173.8	-61.1	0	0	111.1	L204 G280 E281 A288	L204-M284 HydrophobicContact CD1-CE 4.21Å; L204-M284 HydrophobicContact CD2-CE 3.67Å; L204-M284 HydrophobicContact CD2-SD 4.19Å; G280-M284 WeakPolarHBondContact O-CB 3.36Å; G280-M284 VanDerWaalsContact O-CG 3.24Å; G280-M284 WeakPolarHBondContact O-CG 3.21Å; G280-M284 PolarHBondContact O-N 3.44Å; E281-M284 HydrophobicContact CB-CE 4.28Å; E281-M284 HydrophobicContact CG-CE 4.15Å; E281-M284 PolarHBondContact O-N 2.92Å; M284-A288 WeakPolarHBondContact O-CB 3.47Å; M284-A288 PolarHBondContact O-N 3.43Å; M284-A288 VanDerWaalsContact O-N 3.09Å
285	L	97.9	Very high	98	Very high	14 Å²	14	38.7 Å²	38.7	7%	0.073	25%	0.246	C	C	.	.	H	α-helix	trans	-61.1	-51.2	177.4	178.5	73.4	0	0	0	111.9	E281 Y282 A283 H287 A288 A289 I294 L296 A299 L303 L319	E281-L285 PolarHBondContact O-N 2.69Å; Y282-L285 PolarHBondContact O-N 3.48Å; A283-L285 VanDerWaalsContact C-N 3.32Å; A283-L285 PolarHBondContact O-N 3.12Å; L285-H287 PolarHBondContact O-N 2.95Å; L285-A288 PolarHBondContact O-N 3.5Å; L285-A289 WeakPolarHBondContact O-CB 3.36Å; L285-A289 PolarHBondContact O-N 3.04Å; L285-I294 HydrophobicContact CD1-CD1 3.58Å; L285-L296 HydrophobicContact CD1-CD1 4.43Å; L285-L296 HydrophobicContact CD2-CD1 3.87Å; L285-L296 HydrophobicContact CG-CD1 3.88Å; L285-A299 HydrophobicContact CD1-CB 3.51Å; L285-L303 HydrophobicContact CD1-CD1 4Å; L285-L303 HydrophobicContact CD2-CD1 3.94Å; L285-L303 HydrophobicContact CG-CD1 4.41Å; L285-L319 HydrophobicContact CD2-CD1 3.59Å; L285-L319 HydrophobicContact CD2-CD2 4.05Å; L285-L319 HydrophobicContact CD2-CG 4.34Å
286	K	97.7	Very high	98	Very high	21 Å²	21	40 Å²	40	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-39.3	-176	-73.9	-72.5	-70.5	-175.8	0	112.6	I51 D52 Y282 A283 N290 L296	I51-K286 HydrophobicContact CB-CB 4.46Å; I51-K286 HydrophobicContact CD1-CB 3.63Å; I51-K286 VanDerWaalsContact CG2-CE 3.48Å; D52-K286 VanDerWaalsContact OD2-CE 3.25Å; D52-K286 WeakPolarHBondContact OD2-CE 3.44Å; D52-K286 IonicContact OD2-NZ 3.92Å; D52-K286 PolarHBondContact OD2-NZ 3.14Å; Y282-K286 HydrophobicContact CD1-CG 4.3Å; Y282-K286 HydrophobicContact CD2-CG 4.39Å; Y282-K286 HydrophobicContact CE1-CG 3.8Å; Y282-K286 HydrophobicContact CE2-CD 4.35Å; Y282-K286 HydrophobicContact CE2-CG 3.93Å; Y282-K286 WeakPolarHBondContact O-CB 3.18Å; Y282-K286 WeakPolarHBondContact O-CG 3.12Å; Y282-K286 PolarHBondContact O-N 3.35Å; A283-K286 PolarHBondContact O-N 3.29Å; K286-N290 VanDerWaalsContact O-CB 3.31Å; K286-N290 WeakPolarHBondContact O-CB 3.43Å; K286-N290 PolarHBondContact O-N 3.35Å; K286-N290 PolarHBondContact O-OD1 3.19Å; K286-L296 HydrophobicContact CD-CD1 4.24Å; K286-L296 HydrophobicContact CD-CD2 4.25Å
287	H	97.6	Very high	97.9	Very high	114 Å²	114	43.3 Å²	43.3	53%	0.528	27%	0.268	S	S	.	.	H	α-helix	trans	-67.4	-43.5	175.7	-76.4	-65.4	0	0	0	112.1	A283 L285 A289 N290 A291	A283-H287 WeakPolarHBondContact O-CB 2.9Å; A283-H287 PolarHBondContact O-CD2 3.45Å; A283-H287 PolarHBondContact O-N 2.83Å; L285-H287 PolarHBondContact O-N 2.95Å; H287-A289 VanDerWaalsContact C-N 3.34Å; H287-A289 PolarHBondContact O-N 3.48Å; H287-N290 PolarHBondContact O-N 3.28Å; H287-A291 WeakPolarHBondContact O-CB 3.25Å; H287-A291 PolarHBondContact O-N 2.67Å
288	A	98.1	Very high	97.7	Very high	32 Å²	32	49.8 Å²	49.8	26%	0.264	30%	0.298	S	S	.	.	H	α-helix	trans	-61.7	-42.1	176.4	0	0	0	0	0	111.8	M284 L285 A291 G292 A293 I294	M284-A288 WeakPolarHBondContact O-CB 3.47Å; M284-A288 PolarHBondContact O-N 3.43Å; M284-A288 VanDerWaalsContact O-N 3.09Å; L285-A288 PolarHBondContact O-N 3.5Å; A288-A291 PolarHBondContact O-N 2.94Å; A288-G292 PolarHBondContact O-N 2.68Å; A288-A293 WeakPolarHBondContact O-CB 3.24Å; A288-A293 PolarHBondContact O-N 2.84Å; A288-I294 HydrophobicContact CB-CD1 3.59Å; A288-I294 HydrophobicContact CB-CG1 3.81Å
289	A	97.9	Very high	97.6	Very high	18 Å²	18	50.6 Å²	50.6	15%	0.149	31%	0.305	C	S	.	.	H	α-helix	trans	-65.3	-46	175.5	0	0	0	0	0	112.7	L285 H287 A291 G292 I294 L296	L285-A289 WeakPolarHBondContact O-CB 3.36Å; L285-A289 PolarHBondContact O-N 3.04Å; H287-A289 VanDerWaalsContact C-N 3.34Å; H287-A289 PolarHBondContact O-N 3.48Å; A289-A291 PolarHBondContact O-N 3.21Å; A289-G292 PolarHBondContact O-N 2.87Å; A289-I294 WeakPolarHBondContact CA-O 3.43Å; A289-I294 HydrophobicContact CB-CG1 4.17Å; A289-L296 HydrophobicContact CB-CB 3.83Å; A289-L296 HydrophobicContact CB-CD1 4.02Å; A289-L296 HydrophobicContact CB-CG 4.4Å
290	N	96.6	Very high	97.6	Very high	111 Å²	111	50.6 Å²	50.6	59%	0.594	31%	0.305	S	S	*	.	H	α-helix	trans	-63.9	-28.1	178	-72.5	-4.7	0	0	0	112.7	K286 H287 G292	K286-N290 VanDerWaalsContact O-CB 3.31Å; K286-N290 WeakPolarHBondContact O-CB 3.43Å; K286-N290 PolarHBondContact O-N 3.35Å; K286-N290 PolarHBondContact O-OD1 3.19Å; H287-N290 PolarHBondContact O-N 3.28Å; N290-G292 PolarHBondContact O-N 2.94Å
291	A	98.2	Very high	97.5	Very high	82 Å²	82	51 Å²	51	68%	0.678	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-2.2	173.4	0	0	0	0	0	113.5	H287 A288 A289 A293	H287-A291 WeakPolarHBondContact O-CB 3.25Å; H287-A291 PolarHBondContact O-N 2.67Å; A288-A291 PolarHBondContact O-N 2.94Å; A289-A291 PolarHBondContact O-N 3.21Å; A291-A293 PolarHBondContact O-N 2.88Å
292	G	97.8	Very high	97.4	Very high	66 Å²	66	57.4 Å²	57.4	68%	0.68	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	12.1	-176.4	0	0	0	0	0	114.4	A288 A289 N290 I294	A288-G292 PolarHBondContact O-N 2.68Å; A289-G292 PolarHBondContact O-N 2.87Å; N290-G292 PolarHBondContact O-N 2.94Å; G292-I294 VanDerWaalsContact C-N 3.34Å
293	A	98.1	Very high	97.3	Very high	76 Å²	76	58.3 Å²	58.3	63%	0.628	34%	0.34	S	S	*	.	S	Bend	trans	-75.4	-25.1	-179	0	0	0	0	0	112.8	A288 A291	A288-A293 WeakPolarHBondContact O-CB 3.24Å; A288-A293 PolarHBondContact O-N 2.84Å; A291-A293 PolarHBondContact O-N 2.88Å
294	I	97.6	Very high	97.3	Very high	68 Å²	68	57.9 Å²	57.9	35%	0.349	34%	0.336	S	S	.	.	S	Bend	trans	-144.1	151.6	179.1	59.2	178.6	0	0	0	110.4	L285 A288 A289 G292 A299	L285-I294 HydrophobicContact CD1-CD1 3.58Å; A288-I294 HydrophobicContact CB-CD1 3.59Å; A288-I294 HydrophobicContact CB-CG1 3.81Å; A289-I294 WeakPolarHBondContact CA-O 3.43Å; A289-I294 HydrophobicContact CB-CG1 4.17Å; G292-I294 VanDerWaalsContact C-N 3.34Å; I294-A299 HydrophobicContact CD1-CB 3.89Å
295	D	97.8	Very high	97.2	Very high	80 Å²	80	54 Å²	54	43%	0.428	32%	0.318	S	S	.	.			trans	-76.8	123	167	174.2	61.3	0	0	0	110.1	K297 Q298 A299	D295-K297 VanDerWaalsContact C-N 3.32Å; D295-K297 PolarHBondContact O-N 3.34Å; D295-K297 PolarHBondContact OD2-N 2.81Å; D295-Q298 HydrophobicContact CB-CB 4.23Å; D295-Q298 HydrophobicContact CB-CG 4.46Å; D295-Q298 WeakPolarHBondContact OD2-CB 3.44Å; D295-Q298 WeakPolarHBondContact OD2-CG 3.05Å; D295-Q298 PolarHBondContact OD2-N 3.31Å; D295-Q298 PolarHBondContact OD2-NE2 3.34Å; D295-A299 VanDerWaalsContact O-CB 3.31Å; D295-A299 WeakPolarHBondContact O-CB 3.23Å; D295-A299 PolarHBondContact O-N 2.77Å
296	L	97.3	Very high	97.2	Very high	27 Å²	27	53.7 Å²	53.7	14%	0.141	32%	0.318	C	S	.	.	H	α-helix	trans	-62.1	-39.8	-175	-178.2	58.4	0	0	0	112	L285 K286 A289 A300 Y322	L285-L296 HydrophobicContact CD1-CD1 4.43Å; L285-L296 HydrophobicContact CD2-CD1 3.87Å; L285-L296 HydrophobicContact CG-CD1 3.88Å; K286-L296 HydrophobicContact CD-CD1 4.24Å; K286-L296 HydrophobicContact CD-CD2 4.25Å; A289-L296 HydrophobicContact CB-CB 3.83Å; A289-L296 HydrophobicContact CB-CD1 4.02Å; A289-L296 HydrophobicContact CB-CG 4.4Å; L296-A300 WeakPolarHBondContact O-CB 3.21Å; L296-A300 PolarHBondContact O-N 3.46Å; L296-Y322 HydrophobicContact CD2-CE1 4.18Å; L296-Y322 HydrophobicContact CD2-CE2 4.18Å; L296-Y322 HydrophobicContact CG-CE1 3.93Å
297	K	96.7	Very high	97.3	Very high	71 Å²	71	52.7 Å²	52.7	31%	0.309	31%	0.313	S	S	.	.	H	α-helix	trans	-65.3	-53	-177.2	-178.7	-179.7	173.5	-175.7	0	110.4	D295 A300 L301 Y322 L326 E330	D295-K297 VanDerWaalsContact C-N 3.32Å; D295-K297 PolarHBondContact O-N 3.34Å; D295-K297 PolarHBondContact OD2-N 2.81Å; K297-A300 PolarHBondContact O-N 3.28Å; K297-L301 HydrophobicContact CG-CD1 4.28Å; K297-L301 WeakPolarHBondContact O-CG 3.36Å; K297-L301 PolarHBondContact O-N 3.41Å; K297-Y322 WeakPolarHBondContact CA-OH 3.29Å; K297-Y322 WeakPolarHBondContact CB-OH 3.5Å; K297-Y322 PolarHBondContact N-OH 3.44Å; K297-L326 HydrophobicContact CD-CD2 4.22Å; K297-L326 HydrophobicContact CG-CD1 4.03Å; K297-L326 HydrophobicContact CG-CD2 4.18Å; K297-E330 WeakPolarHBondContact CE-OE2 3.12Å; K297-E330 IonicContact NZ-OE1 2.63Å; K297-E330 IonicContact NZ-OE2 2.81Å; K297-E330 PolarHBondContact NZ-OE2 3.48Å
298	Q	95.7	Very high	97.3	Very high	136 Å²	136	49.4 Å²	49.4	64%	0.636	30%	0.296	S	S	*	.	H	α-helix	trans	-59.2	-50	178.4	-75.7	173.6	61.4	0	0	111.4	D295 A300 L301 E302	D295-Q298 HydrophobicContact CB-CB 4.23Å; D295-Q298 HydrophobicContact CB-CG 4.46Å; D295-Q298 WeakPolarHBondContact OD2-CB 3.44Å; D295-Q298 WeakPolarHBondContact OD2-CG 3.05Å; D295-Q298 PolarHBondContact OD2-N 3.31Å; D295-Q298 PolarHBondContact OD2-NE2 3.34Å; Q298-A300 PolarHBondContact O-N 3.09Å; Q298-L301 PolarHBondContact O-N 2.71Å; Q298-E302 WeakPolarHBondContact O-CB 3.41Å; Q298-E302 PolarHBondContact O-N 3.04Å
299	A	97.2	Very high	97.3	Very high	19 Å²	19	54.2 Å²	54.2	16%	0.157	31%	0.307	C	S	.	.	H	α-helix	trans	-65.1	-38.9	-178.7	0	0	0	0	0	112.4	L285 I294 D295 E302 L303	L285-A299 HydrophobicContact CD1-CB 3.51Å; I294-A299 HydrophobicContact CD1-CB 3.89Å; D295-A299 VanDerWaalsContact O-CB 3.31Å; D295-A299 WeakPolarHBondContact O-CB 3.23Å; D295-A299 PolarHBondContact O-N 2.77Å; A299-E302 PolarHBondContact O-N 3.09Å; A299-L303 WeakPolarHBondContact O-CB 3.33Å; A299-L303 VanDerWaalsContact O-CG 3.26Å; A299-L303 WeakPolarHBondContact O-CG 3.26Å; A299-L303 PolarHBondContact O-N 2.94Å
300	A	97.2	Very high	97.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.9	-47.3	175.6	0	0	0	0	0	111.8	L296 K297 Q298 L303 M304 L319 Y322 L323	L296-A300 WeakPolarHBondContact O-CB 3.21Å; L296-A300 PolarHBondContact O-N 3.46Å; K297-A300 PolarHBondContact O-N 3.28Å; Q298-A300 PolarHBondContact O-N 3.09Å; A300-L303 PolarHBondContact O-N 3.4Å; A300-M304 WeakPolarHBondContact O-CG 3.41Å; A300-M304 PolarHBondContact O-N 3.29Å; A300-M304 VanDerWaalsContact O-N 3.08Å; A300-L319 HydrophobicContact CB-CD1 4.11Å; A300-Y322 HydrophobicContact CB-CE1 4.2Å; A300-L323 HydrophobicContact CB-CD2 4.29Å
301	L	96	Very high	97.3	Very high	15 Å²	15	49.1 Å²	49.1	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-64.5	-41.4	177.9	-69.2	176.6	0	0	0	111.6	K297 Q298 L303 M304 T305 L323 L326 L328 E330	K297-L301 HydrophobicContact CG-CD1 4.28Å; K297-L301 WeakPolarHBondContact O-CG 3.36Å; K297-L301 PolarHBondContact O-N 3.41Å; Q298-L301 PolarHBondContact O-N 2.71Å; L301-L303 PolarHBondContact O-N 3.04Å; L301-M304 PolarHBondContact O-N 3.07Å; L301-T305 WeakPolarHBondContact O-CB 3.49Å; L301-T305 PolarHBondContact O-N 2.71Å; L301-T305 PolarHBondContact O-OG1 3.18Å; L301-L323 HydrophobicContact CD2-CD2 4.45Å; L301-L326 HydrophobicContact CD2-CD1 4.31Å; L301-L326 HydrophobicContact CG-CD1 4.39Å; L301-L328 HydrophobicContact CD2-CD2 4.01Å; L301-E330 HydrophobicContact CD1-CB 4.12Å
302	E	95.7	Very high	97.3	Very high	140 Å²	140	45.2 Å²	45.2	65%	0.654	25%	0.25	S	S	*	.	H	α-helix	trans	-62.6	-41.4	177.3	-172.2	175.1	155.1	0	0	112.1	Q298 A299 T305 A306	Q298-E302 WeakPolarHBondContact O-CB 3.41Å; Q298-E302 PolarHBondContact O-N 3.04Å; A299-E302 PolarHBondContact O-N 3.09Å; E302-T305 PolarHBondContact O-N 2.98Å; E302-A306 WeakPolarHBondContact O-CB 3.44Å; E302-A306 PolarHBondContact O-N 3.34Å
303	L	97.4	Very high	97.3	Very high	25 Å²	25	43.6 Å²	43.6	13%	0.131	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-45.5	174.1	-73.7	174.4	0	0	0	111.9	L255 L285 A299 A300 L301 T305 A306 F307	L255-L303 HydrophobicContact CD1-CD2 3.71Å; L255-L303 HydrophobicContact CD2-CD2 3.75Å; L255-L303 HydrophobicContact CG-CD2 4.26Å; L285-L303 HydrophobicContact CD1-CD1 4Å; L285-L303 HydrophobicContact CD2-CD1 3.94Å; L285-L303 HydrophobicContact CG-CD1 4.41Å; A299-L303 WeakPolarHBondContact O-CB 3.33Å; A299-L303 VanDerWaalsContact O-CG 3.26Å; A299-L303 WeakPolarHBondContact O-CG 3.26Å; A299-L303 PolarHBondContact O-N 2.94Å; A300-L303 PolarHBondContact O-N 3.4Å; L301-L303 PolarHBondContact O-N 3.04Å; L303-T305 VanDerWaalsContact C-N 3.33Å; L303-T305 PolarHBondContact O-N 3.47Å; L303-A306 WeakPolarHBondContact O-CB 3.26Å; L303-A306 PolarHBondContact O-N 3.21Å; L303-A306 VanDerWaalsContact O-N 3.16Å; L303-F307 HydrophobicContact CB-CE2 4.38Å; L303-F307 WeakPolarHBondContact O-CD2 3.33Å; L303-F307 WeakPolarHBondContact O-CG 3.48Å; L303-F307 PolarHBondContact O-N 3.41Å
304	M	97.7	Very high	97.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-42.9	177.2	-62.3	-53.5	97.2	0	0	110.9	V26 L31 A300 L301 A306 F307 R308 I315 T317 L319 L323	V26-M304 HydrophobicContact CB-CB 4.41Å; V26-M304 HydrophobicContact CG1-CB 4.07Å; V26-M304 HydrophobicContact CG1-CG 4.49Å; V26-M304 HydrophobicContact CG2-CB 3.58Å; L31-M304 HydrophobicContact CD2-SD 4.23Å; A300-M304 WeakPolarHBondContact O-CG 3.41Å; A300-M304 PolarHBondContact O-N 3.29Å; A300-M304 VanDerWaalsContact O-N 3.08Å; L301-M304 PolarHBondContact O-N 3.07Å; M304-A306 VanDerWaalsContact C-N 3.33Å; M304-A306 PolarHBondContact O-N 2.95Å; M304-F307 HydrophobicContact CE-CD2 3.71Å; M304-F307 HydrophobicContact CE-CE2 3.59Å; M304-F307 PolarHBondContact O-N 3.47Å; M304-F307 HydrophobicContact SD-CD2 4.36Å; M304-R308 WeakPolarHBondContact O-CG 3.41Å; M304-R308 PolarHBondContact O-N 3.25Å; M304-I315 HydrophobicContact CB-CD1 4.38Å; M304-I315 HydrophobicContact CE-CG2 4.26Å; M304-I315 HydrophobicContact SD-CD1 4.07Å; M304-I315 HydrophobicContact SD-CG2 3.72Å; M304-T317 HydrophobicContact SD-CG2 4.2Å; M304-L319 HydrophobicContact CE-CD1 4.33Å; M304-L323 HydrophobicContact CG-CD1 3.81Å; M304-L323 HydrophobicContact CG-CD2 3.99Å; M304-L323 HydrophobicContact SD-CD1 3.65Å
305	T	96.1	Very high	97.4	Very high	19 Å²	19	38 Å²	38	12%	0.117	19%	0.189	C	C	.	.	H	α-helix	trans	-60.6	-39.9	173.1	-69.2	0	0	0	0	111.8	L301 E302 L303 R308 R309 C332	L301-T305 WeakPolarHBondContact O-CB 3.49Å; L301-T305 PolarHBondContact O-N 2.71Å; L301-T305 PolarHBondContact O-OG1 3.18Å; E302-T305 PolarHBondContact O-N 2.98Å; L303-T305 VanDerWaalsContact C-N 3.33Å; L303-T305 PolarHBondContact O-N 3.47Å; T305-R308 PolarHBondContact O-N 3.05Å; T305-R309 WeakPolarHBondContact O-CB 3.48Å; T305-R309 PolarHBondContact O-N 2.78Å; T305-C332 WeakPolarHBondContact CG2-SG 3.41Å; T305-C332 PolarHBondContact OG1-SG 2.96Å; T305-C332 VanDerWaalsContact OG1-SG 3.33Å
306	A	97.9	Very high	97.5	Very high	7 Å²	7	34.3 Å²	34.3	6%	0.058	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-42.3	177.5	0	0	0	0	0	112	L258 E302 L303 M304 R309 A310	L258-A306 HydrophobicContact CD1-CB 4.06Å; E302-A306 WeakPolarHBondContact O-CB 3.44Å; E302-A306 PolarHBondContact O-N 3.34Å; L303-A306 WeakPolarHBondContact O-CB 3.26Å; L303-A306 PolarHBondContact O-N 3.21Å; L303-A306 VanDerWaalsContact O-N 3.16Å; M304-A306 VanDerWaalsContact C-N 3.33Å; M304-A306 PolarHBondContact O-N 2.95Å; A306-R309 PolarHBondContact O-N 3.47Å; A306-A310 WeakPolarHBondContact O-CB 3.49Å; A306-A310 PolarHBondContact O-N 3.46Å
307	F	98.4	Very high	97.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-46.9	174	-67	-41.6	0	0	0	112.4	L255 L258 V275 H277 L303 M304 A310 G311 A312 I315	L255-F307 HydrophobicContact CB-CE1 4.48Å; L255-F307 HydrophobicContact CB-CZ 4.49Å; L258-F307 HydrophobicContact CD2-CD1 3.53Å; L258-F307 HydrophobicContact CD2-CE1 3.89Å; V275-F307 HydrophobicContact CB-CD1 4.39Å; V275-F307 HydrophobicContact CG1-CB 3.75Å; V275-F307 HydrophobicContact CG1-CD1 3.68Å; V275-F307 HydrophobicContact CG1-CD2 4.29Å; V275-F307 HydrophobicContact CG1-CE1 4.42Å; V275-F307 HydrophobicContact CG1-CG 3.64Å; V275-F307 HydrophobicContact CG2-CD1 3.85Å; V275-F307 HydrophobicContact CG2-CE1 4.03Å; H277-F307 HydrophobicContact CB-CE2 3.86Å; H277-F307 HydrophobicContact CB-CZ 4Å; L303-F307 HydrophobicContact CB-CE2 4.38Å; L303-F307 WeakPolarHBondContact O-CD2 3.33Å; L303-F307 WeakPolarHBondContact O-CG 3.48Å; L303-F307 PolarHBondContact O-N 3.41Å; M304-F307 HydrophobicContact CE-CD2 3.71Å; M304-F307 HydrophobicContact CE-CE2 3.59Å; M304-F307 PolarHBondContact O-N 3.47Å; M304-F307 HydrophobicContact SD-CD2 4.36Å; F307-A310 PolarHBondContact O-N 2.93Å; F307-G311 PolarHBondContact O-N 2.91Å; F307-A312 HydrophobicContact CB-CB 4.5Å; F307-A312 WeakPolarHBondContact O-CB 3.29Å; F307-A312 PolarHBondContact O-N 3.48Å; F307-I315 HydrophobicContact CB-CD1 3.78Å; F307-I315 HydrophobicContact CB-CG1 4.01Å; F307-I315 HydrophobicContact CD2-CD1 4.32Å; F307-I315 HydrophobicContact CD2-CG2 3.82Å; F307-I315 HydrophobicContact CE2-CG2 4.37Å
308	R	97.8	Very high	97.6	Very high	46 Å²	46	29.8 Å²	29.8	17%	0.174	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-45.1	176.5	-64.8	-68.5	-68.5	123.5	2.8	111.6	N23 Y24 K25 V26 M304 T305 A310 G311 A312 I315	N23-R308 PolarHBondContact O-NH2 2.88Å; Y24-R308 WeakPolarHBondContact O-CB 3.5Å; K25-R308 PolarHBondContact O-NE 2.96Å; V26-R308 HydrophobicContact CG2-CG 3.76Å; M304-R308 WeakPolarHBondContact O-CG 3.41Å; M304-R308 PolarHBondContact O-N 3.25Å; T305-R308 PolarHBondContact O-N 3.05Å; R308-A310 VanDerWaalsContact C-N 3.31Å; R308-A310 PolarHBondContact O-N 2.93Å; R308-G311 WeakPolarHBondContact O-CA 3.17Å; R308-G311 PolarHBondContact O-N 3.43Å; R308-A312 WeakPolarHBondContact CD-O 3.32Å; R308-A312 PolarHBondContact NH1-O 2.95Å; R308-I315 HydrophobicContact CG-CD1 4.15Å
309	R	97.3	Very high	97.8	Very high	132 Å²	132	23.4 Å²	23.4	50%	0.498	12%	0.118	S	C	.	.	H	α-helix	trans	-60.7	-39.3	177.9	-175.9	-176.6	65.7	-119	0	112	Y24 T305 A306 G311	Y24-R309 HydrophobicContact CD1-CB 4.41Å; Y24-R309 HydrophobicContact CG-CB 4.34Å; T305-R309 WeakPolarHBondContact O-CB 3.48Å; T305-R309 PolarHBondContact O-N 2.78Å; A306-R309 PolarHBondContact O-N 3.47Å; R309-G311 PolarHBondContact O-N 3.26Å
310	A	98.2	Very high	97.8	Very high	10 Å²	10	22.5 Å²	22.5	8%	0.083	11%	0.111	C	C	.	.	H	α-helix	trans	-70.3	-12	174.8	0	0	0	0	0	113.1	L258 V261 N262 A306 F307 R308	L258-A310 HydrophobicContact CB-CB 4.26Å; L258-A310 HydrophobicContact CD2-CB 3.79Å; V261-A310 CarbonylContact C-O 3.57Å; V261-A310 HydrophobicContact CB-CB 4Å; V261-A310 HydrophobicContact CG1-CB 3.79Å; N262-A310 WeakPolarHBondContact CA-O 3.29Å; N262-A310 PolarHBondContact N-O 3.44Å; A306-A310 WeakPolarHBondContact O-CB 3.49Å; A306-A310 PolarHBondContact O-N 3.46Å; F307-A310 PolarHBondContact O-N 2.93Å; R308-A310 VanDerWaalsContact C-N 3.31Å; R308-A310 PolarHBondContact O-N 2.93Å
311	G	97.9	Very high	97.9	Very high	13 Å²	13	23.9 Å²	23.9	13%	0.134	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.3	2.6	173.6	0	0	0	0	0	115.4	F307 R308 R309 S313	F307-G311 PolarHBondContact O-N 2.91Å; R308-G311 WeakPolarHBondContact O-CA 3.17Å; R308-G311 PolarHBondContact O-N 3.43Å; R309-G311 PolarHBondContact O-N 3.26Å; G311-S313 PolarHBondContact O-N 2.97Å
312	A	98.5	Very high	97.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.			trans	-70.4	129.9	175	0	0	0	0	0	110.7	V261 L273 V275 F307 R308	V261-A312 HydrophobicContact CG1-CB 4.11Å; L273-A312 CarbonylContact O-C 3.48Å; L273-A312 VanDerWaalsContact O-CA 3.31Å; L273-A312 WeakPolarHBondContact O-CA 3.46Å; V275-A312 HydrophobicContact CB-CB 3.93Å; V275-A312 HydrophobicContact CG1-CB 3.52Å; F307-A312 HydrophobicContact CB-CB 4.5Å; F307-A312 WeakPolarHBondContact O-CB 3.29Å; F307-A312 PolarHBondContact O-N 3.48Å; R308-A312 WeakPolarHBondContact CD-O 3.32Å; R308-A312 PolarHBondContact NH1-O 2.95Å
313	S	97.8	Very high	98.1	Very high	32 Å²	32	20.2 Å²	20.2	22%	0.224	10%	0.099	C	C	.	.	S	Bend	trans	-92.9	-20.5	171.7	53.3	0	0	0	0	112.9	N30 P272 L273 G311	N30-S313 PolarHBondContact ND2-O 3.39Å; P272-S313 WeakPolarHBondContact CB-OG 3.37Å; L273-S313 PolarHBondContact N-OG 3.06Å; L273-S313 VanDerWaalsContact N-OG 3.14Å; L273-S313 PolarHBondContact O-N 3Å; L273-S313 PolarHBondContact O-OG 3.04Å; G311-S313 PolarHBondContact O-N 2.97Å
314	I	98.7	Very high	98.1	Very high	27 Å²	27	20 Å²	20	14%	0.138	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.2	-177.6	-56.7	167.4	0	0	0	108	N30 V32 M194 F248 P272 L273 A274 V275	N30-I314 CarbonylContact O-C 3.36Å; V32-I314 HydrophobicContact CG2-CG2 3.46Å; V32-I314 VanDerWaalsContact CG2-CG2 3.46Å; M194-I314 HydrophobicContact CE-CD1 3.78Å; M194-I314 HydrophobicContact CE-CG2 4.42Å; F248-I314 HydrophobicContact CD1-CD1 4.01Å; F248-I314 HydrophobicContact CE1-CD1 4.22Å; P272-I314 HydrophobicContact CB-CD1 4.48Å; L273-I314 PolarHBondContact O-N 3.18Å; A274-I314 CarbonylContact C-O 3.54Å; A274-I314 VanDerWaalsContact CA-O 3.26Å; A274-I314 WeakPolarHBondContact CA-O 3.4Å; A274-I314 HydrophobicContact CB-CB 3.92Å; A274-I314 HydrophobicContact CB-CG2 4.13Å; V275-I314 PolarHBondContact N-O 3.22Å
315	I	98.8	Very high	98	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	112.5	-178	-55.6	170.4	0	0	0	108.5	N30 L31 V32 V275 M304 F307 R308 T317	N30-I315 PolarHBondContact O-N 3.33Å; L31-I315 HydrophobicContact CD2-CB 4.45Å; V32-I315 PolarHBondContact N-O 3.4Å; V275-I315 HydrophobicContact CG1-CB 4.46Å; V275-I315 HydrophobicContact CG1-CG1 4.08Å; V275-I315 HydrophobicContact CG1-CG2 4.33Å; M304-I315 HydrophobicContact CB-CD1 4.38Å; M304-I315 HydrophobicContact CE-CG2 4.26Å; M304-I315 HydrophobicContact SD-CD1 4.07Å; M304-I315 HydrophobicContact SD-CG2 3.72Å; F307-I315 HydrophobicContact CB-CD1 3.78Å; F307-I315 HydrophobicContact CB-CG1 4.01Å; F307-I315 HydrophobicContact CD2-CD1 4.32Å; F307-I315 HydrophobicContact CD2-CG2 3.82Å; F307-I315 HydrophobicContact CE2-CG2 4.37Å; R308-I315 HydrophobicContact CG-CD1 4.15Å; I315-T317 HydrophobicContact CG2-CG2 4.19Å
316	I	98.9	Very high	98	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	113.6	174.8	-53.3	173.8	0	0	0	107.6	V32 P34 L77 M194 M250 V275 Y276 H277	V32-I316 HydrophobicContact CB-CB 4.32Å; V32-I316 HydrophobicContact CB-CG1 3.85Å; V32-I316 HydrophobicContact CB-CG2 4.44Å; V32-I316 HydrophobicContact CG1-CG1 4.13Å; V32-I316 HydrophobicContact CG1-CG2 4.31Å; V32-I316 HydrophobicContact CG2-CG1 4.11Å; P34-I316 HydrophobicContact CG-CG2 3.56Å; L77-I316 HydrophobicContact CD2-CD1 4.2Å; L77-I316 HydrophobicContact CD2-CG2 3.94Å; M194-I316 HydrophobicContact SD-CD1 4.31Å; M250-I316 HydrophobicContact CE-CD1 3.28Å; M250-I316 HydrophobicContact SD-CD1 3.69Å; V275-I316 PolarHBondContact O-N 3.19Å; Y276-I316 HydrophobicContact CD1-CB 4.33Å; Y276-I316 HydrophobicContact CD1-CG2 4.1Å; Y276-I316 HydrophobicContact CD2-CB 4.05Å; Y276-I316 HydrophobicContact CD2-CD1 3.92Å; Y276-I316 HydrophobicContact CD2-CG2 3.79Å; Y276-I316 HydrophobicContact CE1-CG2 3.91Å; Y276-I316 HydrophobicContact CE2-CB 4.38Å; Y276-I316 HydrophobicContact CE2-CD1 4.4Å; Y276-I316 HydrophobicContact CE2-CG2 3.6Å; Y276-I316 HydrophobicContact CG-CB 4.03Å; Y276-I316 HydrophobicContact CG-CG2 4.04Å; H277-I316 PolarHBondContact N-O 2.89Å
317	T	98.8	Very high	97.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	141.2	-172.8	-176.5	0	0	0	0	112.6	L31 V32 P34 H277 M304 I315 L319 T320 L323	L31-T317 HydrophobicContact CD2-CG2 4.24Å; V32-T317 PolarHBondContact O-N 3Å; V32-T317 VanDerWaalsContact O-N 3.11Å; P34-T317 VanDerWaalsContact CD-O 3.27Å; P34-T317 WeakPolarHBondContact CD-O 3.36Å; H277-T317 PolarHBondContact ND1-OG1 3.39Å; M304-T317 HydrophobicContact SD-CG2 4.2Å; I315-T317 HydrophobicContact CG2-CG2 4.19Å; T317-L319 HydrophobicContact CG2-CB 4.33Å; T317-L319 PolarHBondContact O-N 3.06Å; T317-L319 WeakPolarHBondContact OG1-CB 3.02Å; T317-L319 PolarHBondContact OG1-N 3.43Å; T317-T320 WeakPolarHBondContact CG2-OG1 3.44Å; T317-T320 PolarHBondContact O-N 3.38Å; T317-T320 PolarHBondContact O-OG1 3.16Å; T317-L323 HydrophobicContact CG2-CD1 3.97Å
318	Y	98.6	Very high	97.4	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.012	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-11.8	171.5	-51.9	-77.8	0	0	0	112.6	P34 F36 L50 Q53 F208 Y276 Y282 T320	P34-Y318 HydrophobicContact CB-CD1 3.85Å; P34-Y318 HydrophobicContact CB-CE1 3.45Å; P34-Y318 VanDerWaalsContact CB-CE1 3.45Å; P34-Y318 HydrophobicContact CG-CD1 3.97Å; P34-Y318 HydrophobicContact CG-CE1 3.76Å; F36-Y318 HydrophobicContact CE2-CD1 4.39Å; F36-Y318 AromaticContact CE2-CE1 3.71Å; F36-Y318 HydrophobicContact CE2-CE1 3.71Å; F36-Y318 AromaticContact CZ-CE1 3.82Å; F36-Y318 HydrophobicContact CZ-CE1 3.82Å; L50-Y318 HydrophobicContact CD1-CD2 4.29Å; L50-Y318 HydrophobicContact CD1-CE2 4.43Å; L50-Y318 HydrophobicContact CD1-CG 4.45Å; L50-Y318 HydrophobicContact CD2-CD1 3.85Å; L50-Y318 HydrophobicContact CD2-CE1 3.76Å; L50-Y318 HydrophobicContact CD2-CG 4.33Å; Q53-Y318 HydrophobicContact CG-CD1 4.24Å; Q53-Y318 PolarHBondContact NE2-O 3.27Å; F208-Y318 WeakPolarHBondContact CD2-OH 3.49Å; Y276-Y318 HydrophobicContact CE1-CE2 4Å; Y276-Y318 AromaticContact CE1-CZ 3.98Å; Y276-Y318 PolarHBondContact OH-OH 3.14Å; Y276-Y318 VanDerWaalsContact OH-OH 3.08Å; Y282-Y318 HydrophobicContact CG-CD2 4.13Å; Y282-Y318 HydrophobicContact CG-CG 4.42Å; Y318-T320 PolarHBondContact O-N 3.26Å
319	L	98.1	Very high	96.7	Very high	3 Å²	3	31 Å²	31	2%	0.016	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-7.4	174	-70.6	166	0	0	0	113.2	Y282 L285 A300 M304 T317 Y322 L323	Y282-L319 HydrophobicContact CD2-CD2 4.06Å; Y282-L319 HydrophobicContact CD2-CG 3.87Å; Y282-L319 HydrophobicContact CE2-CD2 3.67Å; Y282-L319 HydrophobicContact CE2-CG 3.9Å; L285-L319 HydrophobicContact CD2-CD1 3.59Å; L285-L319 HydrophobicContact CD2-CD2 4.05Å; L285-L319 HydrophobicContact CD2-CG 4.34Å; A300-L319 HydrophobicContact CB-CD1 4.11Å; M304-L319 HydrophobicContact CE-CD1 4.33Å; T317-L319 HydrophobicContact CG2-CB 4.33Å; T317-L319 PolarHBondContact O-N 3.06Å; T317-L319 WeakPolarHBondContact OG1-CB 3.02Å; T317-L319 PolarHBondContact OG1-N 3.43Å; L319-Y322 HydrophobicContact CD2-CD1 4.37Å; L319-Y322 WeakPolarHBondContact O-CA 3.42Å; L319-Y322 WeakPolarHBondContact O-CB 3.47Å; L319-Y322 PolarHBondContact O-N 3.01Å; L319-L323 HydrophobicContact CB-CD1 3.77Å; L319-L323 HydrophobicContact CB-CG 3.98Å; L319-L323 WeakPolarHBondContact O-CG 3.44Å; L319-L323 PolarHBondContact O-N 3.22Å
320	T	98.6	Very high	96	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-51.3	-48.2	-172.7	-60.8	0	0	0	0	113.1	L31 V32 Y33 L73 T317 Y318 Y322 L323 L324	L31-T320 HydrophobicContact CB-CG2 3.92Å; L31-T320 HydrophobicContact CD1-CG2 4.23Å; V32-T320 PolarHBondContact O-OG1 2.9Å; Y33-T320 HydrophobicContact CG-CG2 4.48Å; L73-T320 HydrophobicContact CD1-CG2 3.6Å; T317-T320 WeakPolarHBondContact CG2-OG1 3.44Å; T317-T320 PolarHBondContact O-N 3.38Å; T317-T320 PolarHBondContact O-OG1 3.16Å; Y318-T320 PolarHBondContact O-N 3.26Å; T320-Y322 VanDerWaalsContact C-N 3.32Å; T320-Y322 PolarHBondContact O-N 3.49Å; T320-L323 PolarHBondContact O-N 3.39Å; T320-L324 HydrophobicContact CG2-CD1 3.91Å; T320-L324 HydrophobicContact CG2-CG 4.18Å; T320-L324 VanDerWaalsContact O-CG 3.28Å; T320-L324 WeakPolarHBondContact O-CG 3.45Å; T320-L324 PolarHBondContact O-N 3.42Å
321	P	98.2	Very high	95	Very high	28 Å²	28	27.3 Å²	27.3	18%	0.182	15%	0.147	C	C	.	.	H	α-helix	trans	-54.8	-44.9	175.2	-28	36.9	0	0	0	113.6	Y33 L68	Y33-P321 HydrophobicContact CD1-CG 4.29Å; Y33-P321 HydrophobicContact CD2-CG 4.16Å; Y33-P321 HydrophobicContact CE1-CG 3.81Å; Y33-P321 HydrophobicContact CE2-CG 3.72Å; Y33-P321 HydrophobicContact CG-CG 4.47Å; L68-P321 HydrophobicContact CD1-CG 4.09Å; L68-P321 HydrophobicContact CD2-CB 3.85Å; L68-P321 HydrophobicContact CD2-CG 4.3Å
322	Y	97.6	Very high	93.9	Very high	78 Å²	78	27.8 Å²	27.8	31%	0.306	15%	0.148	S	C	.	.	H	α-helix	trans	-66.9	-43.8	178.6	176.6	-106.1	0	0	0	112.2	L296 K297 A300 L319 T320 L324 E325 L326	L296-Y322 HydrophobicContact CD2-CE1 4.18Å; L296-Y322 HydrophobicContact CD2-CE2 4.18Å; L296-Y322 HydrophobicContact CG-CE1 3.93Å; K297-Y322 WeakPolarHBondContact CA-OH 3.29Å; K297-Y322 WeakPolarHBondContact CB-OH 3.5Å; K297-Y322 PolarHBondContact N-OH 3.44Å; A300-Y322 HydrophobicContact CB-CE1 4.2Å; L319-Y322 HydrophobicContact CD2-CD1 4.37Å; L319-Y322 WeakPolarHBondContact O-CA 3.42Å; L319-Y322 WeakPolarHBondContact O-CB 3.47Å; L319-Y322 PolarHBondContact O-N 3.01Å; T320-Y322 VanDerWaalsContact C-N 3.32Å; T320-Y322 PolarHBondContact O-N 3.49Å; Y322-L324 VanDerWaalsContact C-N 3.29Å; Y322-L324 PolarHBondContact O-N 3.37Å; Y322-E325 WeakPolarHBondContact O-CB 3.32Å; Y322-E325 PolarHBondContact O-N 2.85Å; Y322-E325 VanDerWaalsContact O-N 3.13Å; Y322-L326 HydrophobicContact CD1-CD1 4.25Å; Y322-L326 HydrophobicContact CE1-CD1 3.79Å; Y322-L326 HydrophobicContact CE1-CG 4.43Å
323	L	97.9	Very high	92.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63	-34.6	179.8	-72.6	168.3	0	0	0	112.4	L31 A300 L301 M304 T317 L319 T320 E325 L326 L328	L31-L323 HydrophobicContact CD1-CB 3.81Å; L31-L323 HydrophobicContact CD1-CD1 4.04Å; L31-L323 HydrophobicContact CD2-CD1 3.94Å; A300-L323 HydrophobicContact CB-CD2 4.29Å; L301-L323 HydrophobicContact CD2-CD2 4.45Å; M304-L323 HydrophobicContact CG-CD1 3.81Å; M304-L323 HydrophobicContact CG-CD2 3.99Å; M304-L323 HydrophobicContact SD-CD1 3.65Å; T317-L323 HydrophobicContact CG2-CD1 3.97Å; L319-L323 HydrophobicContact CB-CD1 3.77Å; L319-L323 HydrophobicContact CB-CG 3.98Å; L319-L323 WeakPolarHBondContact O-CG 3.44Å; L319-L323 PolarHBondContact O-N 3.22Å; T320-L323 PolarHBondContact O-N 3.39Å; L323-E325 PolarHBondContact O-N 3.05Å; L323-L326 HydrophobicContact CD2-CD1 4.32Å; L323-L326 WeakPolarHBondContact O-CB 3.27Å; L323-L326 PolarHBondContact O-N 3.33Å; L323-L326 VanDerWaalsContact O-N 3.11Å; L323-L328 HydrophobicContact CB-CD2 4.18Å; L323-L328 HydrophobicContact CD2-CD2 4.14Å; L323-L328 WeakPolarHBondContact O-CD2 3.37Å
324	L	97.7	Very high	92.5	Very high	21 Å²	21	35 Å²	35	11%	0.11	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.9	177.3	-66.2	176.8	0	0	0	113.4	A28 L31 K71 L73 T320 Y322	A28-L324 HydrophobicContact CB-CD2 3.74Å; L31-L324 HydrophobicContact CD1-CD2 4.19Å; K71-L324 HydrophobicContact CB-CB 4.2Å; K71-L324 WeakPolarHBondContact O-CD2 3.43Å; L73-L324 HydrophobicContact CB-CD1 3.76Å; L73-L324 HydrophobicContact CD1-CD1 4.15Å; T320-L324 HydrophobicContact CG2-CD1 3.91Å; T320-L324 HydrophobicContact CG2-CG 4.18Å; T320-L324 VanDerWaalsContact O-CG 3.28Å; T320-L324 WeakPolarHBondContact O-CG 3.45Å; T320-L324 PolarHBondContact O-N 3.42Å; Y322-L324 VanDerWaalsContact C-N 3.29Å; Y322-L324 PolarHBondContact O-N 3.37Å
325	E	96.5	Very high	92.1	Very high	107 Å²	107	35.4 Å²	35.4	50%	0.5	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-16.6	169.3	-54.1	-59.7	155.5	0	0	112.8	K71 Y322 L323	K71-E325 WeakPolarHBondContact CD-OE1 3.32Å; K71-E325 WeakPolarHBondContact CE-OE1 3.32Å; K71-E325 IonicContact NZ-OE1 2.65Å; K71-E325 PolarHBondContact NZ-OE1 2.99Å; K71-E325 IonicContact NZ-OE2 3.79Å; K71-E325 PolarHBondContact NZ-OE2 2.9Å; Y322-E325 WeakPolarHBondContact O-CB 3.32Å; Y322-E325 PolarHBondContact O-N 2.85Å; Y322-E325 VanDerWaalsContact O-N 3.13Å; L323-E325 PolarHBondContact O-N 3.05Å
326	L	95.6	Very high	91.8	Very high	33 Å²	33	37.3 Å²	37.3	17%	0.173	19%	0.188	C	C	.	.	S	Bend	trans	-91	155.9	-175.5	-56.3	-178.2	0	0	0	111.4	K297 L301 Y322 L323 L328	K297-L326 HydrophobicContact CD-CD2 4.22Å; K297-L326 HydrophobicContact CG-CD1 4.03Å; K297-L326 HydrophobicContact CG-CD2 4.18Å; L301-L326 HydrophobicContact CD2-CD1 4.31Å; L301-L326 HydrophobicContact CG-CD1 4.39Å; Y322-L326 HydrophobicContact CD1-CD1 4.25Å; Y322-L326 HydrophobicContact CE1-CD1 3.79Å; Y322-L326 HydrophobicContact CE1-CG 4.43Å; L323-L326 HydrophobicContact CD2-CD1 4.32Å; L323-L326 WeakPolarHBondContact O-CB 3.27Å; L323-L326 PolarHBondContact O-N 3.33Å; L323-L326 VanDerWaalsContact O-N 3.11Å; L326-L328 PolarHBondContact O-N 3.32Å; L326-L328 VanDerWaalsContact O-N 3.11Å
327	D	92.2	Very high	91.3	Very high	82 Å²	82	39.5 Å²	39.5	44%	0.439	20%	0.199	S	C	.	.			trans	-74.9	95.1	160.3	-179.8	7.7	0	0	0	109.5	S329 E330	D327-S329 PolarHBondContact O-N 3.1Å; D327-S329 VanDerWaalsContact O-N 3.1Å; D327-S329 WeakPolarHBondContact OD1-CB 3.49Å; D327-S329 PolarHBondContact OD1-N 2.92Å; D327-S329 PolarHBondContact OD1-OG 3.19Å; D327-S329 PolarHBondContact OD2-OG 2.7Å; D327-E330 HydrophobicContact CB-CG 4.21Å; D327-E330 WeakPolarHBondContact O-CB 3.49Å; D327-E330 WeakPolarHBondContact O-CG 3.35Å; D327-E330 PolarHBondContact O-N 2.98Å
328	L	91.5	Very high	90.9	Very high	18 Å²	18	41.9 Å²	41.9	9%	0.094	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-63.4	-13.6	178.5	-62.6	178.8	0	0	0	113.3	L31 L301 L323 L326 E330 S331	L31-L328 HydrophobicContact CD1-CD1 4.25Å; L301-L328 HydrophobicContact CD2-CD2 4.01Å; L323-L328 HydrophobicContact CB-CD2 4.18Å; L323-L328 HydrophobicContact CD2-CD2 4.14Å; L323-L328 WeakPolarHBondContact O-CD2 3.37Å; L326-L328 PolarHBondContact O-N 3.32Å; L326-L328 VanDerWaalsContact O-N 3.11Å; L328-E330 PolarHBondContact O-N 3.21Å; L328-S331 VanDerWaalsContact O-CB 3.29Å; L328-S331 WeakPolarHBondContact O-CB 3.06Å; L328-S331 PolarHBondContact O-N 3.36Å; L328-S331 PolarHBondContact O-OG 3.32Å
329	S	82.7	Confident	90.4	Very high	63 Å²	63	44.5 Å²	44.5	44%	0.441	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-66.8	-13.5	171.7	87	0	0	0	0	112.9	D327 S331	D327-S329 PolarHBondContact O-N 3.1Å; D327-S329 VanDerWaalsContact O-N 3.1Å; D327-S329 WeakPolarHBondContact OD1-CB 3.49Å; D327-S329 PolarHBondContact OD1-N 2.92Å; D327-S329 PolarHBondContact OD1-OG 3.19Å; D327-S329 PolarHBondContact OD2-OG 2.7Å; S329-S331 VanDerWaalsContact C-N 3.26Å
330	E	82.7	Confident	89.8	Confident	61 Å²	61	47.5 Å²	47.5	29%	0.285	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-76.3	-9.4	170.1	-60.8	-170.8	154.5	0	0	113.8	K297 L301 D327 L328 C332 K333	K297-E330 WeakPolarHBondContact CE-OE2 3.12Å; K297-E330 IonicContact NZ-OE1 2.63Å; K297-E330 IonicContact NZ-OE2 2.81Å; K297-E330 PolarHBondContact NZ-OE2 3.48Å; L301-E330 HydrophobicContact CD1-CB 4.12Å; D327-E330 HydrophobicContact CB-CG 4.21Å; D327-E330 WeakPolarHBondContact O-CB 3.49Å; D327-E330 WeakPolarHBondContact O-CG 3.35Å; D327-E330 PolarHBondContact O-N 2.98Å; L328-E330 PolarHBondContact O-N 3.21Å; E330-C332 PolarHBondContact O-N 3.49Å; E330-K333 HydrophobicContact CB-CD 4.23Å; E330-K333 HydrophobicContact CG-CD 4.25Å; E330-K333 PolarHBondContact O-N 3.05Å
331	S	77.4	Confident	89.1	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.021	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	136.6	170.5	61.6	0	0	0	0	110.7	V26 L328 S329 K333	V26-S331 PolarHBondContact N-OG 2.98Å; V26-S331 VanDerWaalsContact N-OG 3.11Å; L328-S331 VanDerWaalsContact O-CB 3.29Å; L328-S331 WeakPolarHBondContact O-CB 3.06Å; L328-S331 PolarHBondContact O-N 3.36Å; L328-S331 PolarHBondContact O-OG 3.32Å; S329-S331 VanDerWaalsContact C-N 3.26Å; S331-K333 VanDerWaalsContact C-N 3.3Å; S331-K333 PolarHBondContact O-N 2.9Å
332	C	75.7	Confident	88.4	Confident	23 Å²	23	53.1 Å²	53.1	16%	0.155	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	14.8	-177.5	-39.8	0	0	0	0	116.9	T21 T305 E330	T21-C332 HydrophobicContact CG2-CB 4.04Å; T21-C332 WeakPolarHBondContact OG1-CB 2.99Å; T305-C332 WeakPolarHBondContact CG2-SG 3.41Å; T305-C332 PolarHBondContact OG1-SG 2.96Å; T305-C332 VanDerWaalsContact OG1-SG 3.33Å; E330-C332 PolarHBondContact O-N 3.49Å
333	K	73	Confident	87.5	Confident	148 Å²	148	50.8 Å²	50.8	64%	0.643	26%	0.26	S	S	*	.			trans	-76.6	0	166.6	-70.1	-174.7	-175.2	170.5	0	110.9	E330 S331	E330-K333 HydrophobicContact CB-CD 4.23Å; E330-K333 HydrophobicContact CG-CD 4.25Å; E330-K333 PolarHBondContact O-N 3.05Å; S331-K333 VanDerWaalsContact C-N 3.3Å; S331-K333 PolarHBondContact O-N 2.9Å

Retrieved 333 of 333 residues in 699.6 ms (Link to these results)

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