G4VBS0_SCHMA Loading...

5-aminolevulinate synthase

AlphaFold DB , UniProt , Accession G4VBS0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 582 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	54.1	Low	67.4	Low	78 Å²	78	79.5 Å²	79.5	38%	0.384	41%	0.412	S	S	.	.				0	-32.2	0	-76	-174.6	174	0	0	113.6	S3 C4 L7 I15 I19 L22	M1-S3 PolarHBondContact O-N 3.23Å; M1-C4 PolarHBondContact O-N 3.11Å; M1-L7 HydrophobicContact CB-CD1 4Å; M1-L7 HydrophobicContact CG-CD1 3.82Å; M1-L7 HydrophobicContact SD-CD1 4.43Å; M1-I15 HydrophobicContact CE-CG2 4.28Å; M1-I15 HydrophobicContact SD-CG2 3.45Å; M1-I15 WeakPolarHBondContact SD-CG2 3.34Å; M1-I19 HydrophobicContact CE-CG1 4.25Å; M1-L22 HydrophobicContact CE-CD1 4.48Å
2	T	56	Low	68	Low	109 Å²	109	81.5 Å²	81.5	67%	0.669	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16	-177.4	45.6	0	0	0	0	115.9	R8	T2-R8 PolarHBondContact O-NE 3.19Å
3	S	63.8	Low	68.8	Low	72 Å²	72	83.2 Å²	83.2	50%	0.503	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-11.5	178.8	-28.6	0	0	0	0	114	M1 P5	M1-S3 PolarHBondContact O-N 3.23Å; S3-P5 WeakPolarHBondContact O-CD 3.31Å
4	C	67.2	Low	69.3	Low	14 Å²	14	80 Å²	80	10%	0.095	43%	0.434	C	S	.	.			trans	-85.9	119.1	178.8	177.3	0	0	0	0	109.9	M1 F6 L7 R8	M1-C4 PolarHBondContact O-N 3.11Å; C4-F6 PolarHBondContact O-N 2.98Å; C4-F6 VanDerWaalsContact O-N 3.12Å; C4-L7 HydrophobicContact CB-CB 3.97Å; C4-L7 HydrophobicContact CB-CD1 3.93Å; C4-L7 HydrophobicContact CB-CG 3.9Å; C4-L7 PolarHBondContact O-N 3.39Å; C4-R8 PolarHBondContact O-N 2.97Å; C4-R8 VanDerWaalsContact O-N 3.08Å
5	P	65.4	Low	69.8	Low	81 Å²	81	76.6 Å²	76.6	53%	0.526	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.4	179.2	-22.8	32.2	0	0	0	113.3	S3	S3-P5 WeakPolarHBondContact O-CD 3.31Å
6	F	69.4	Low	70.2	Confident	39 Å²	39	81.4 Å²	81.4	17%	0.171	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-45.2	178.7	-161.5	-94.2	0	0	0	112.1	C4 R8 K9 L69 C73	C4-F6 PolarHBondContact O-N 2.98Å; C4-F6 VanDerWaalsContact O-N 3.12Å; F6-R8 VanDerWaalsContact C-N 3.26Å; F6-R8 PolarHBondContact O-N 2.94Å; F6-K9 PolarHBondContact O-N 3.49Å; F6-K9 VanDerWaalsContact O-N 3.15Å; F6-L69 HydrophobicContact CE1-CG 4.33Å; F6-C73 HydrophobicContact CD2-CB 4.36Å; F6-C73 HydrophobicContact CE1-CB 4.47Å; F6-C73 HydrophobicContact CE2-CB 3.83Å; F6-C73 HydrophobicContact CZ-CB 3.88Å
7	L	71.4	Confident	70.7	Confident	27 Å²	27	85.2 Å²	85.2	14%	0.141	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-68.7	-25.5	178.5	-62.9	178	0	0	0	112.4	M1 C4 K9 L10 L22	M1-L7 HydrophobicContact CB-CD1 4Å; M1-L7 HydrophobicContact CG-CD1 3.82Å; M1-L7 HydrophobicContact SD-CD1 4.43Å; C4-L7 HydrophobicContact CB-CB 3.97Å; C4-L7 HydrophobicContact CB-CD1 3.93Å; C4-L7 HydrophobicContact CB-CG 3.9Å; C4-L7 PolarHBondContact O-N 3.39Å; L7-K9 PolarHBondContact O-N 3.38Å; L7-K9 VanDerWaalsContact O-N 3.15Å; L7-L10 HydrophobicContact CD2-CD1 3.82Å; L7-L10 PolarHBondContact O-N 3.29Å; L7-L10 VanDerWaalsContact O-N 3.11Å; L7-L22 HydrophobicContact CD2-CD1 4.47Å; L7-L22 HydrophobicContact CD2-CD2 3.77Å
8	R	73	Confident	71	Confident	185 Å²	185	81.4 Å²	81.4	70%	0.698	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-60.5	-18.3	172.1	-87.8	-171.6	178.8	-171.2	-3.6	114	T2 C4 F6	T2-R8 PolarHBondContact O-NE 3.19Å; C4-R8 PolarHBondContact O-N 2.97Å; C4-R8 VanDerWaalsContact O-N 3.08Å; F6-R8 VanDerWaalsContact C-N 3.26Å; F6-R8 PolarHBondContact O-N 2.94Å
9	K	74.5	Confident	71.4	Confident	184 Å²	184	80.9 Å²	80.9	80%	0.8	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-90.2	-8.9	177.6	-61.9	-173.2	178.5	-173.8	0	113.6	F6 L7	F6-K9 PolarHBondContact O-N 3.49Å; F6-K9 VanDerWaalsContact O-N 3.15Å; L7-K9 PolarHBondContact O-N 3.38Å; L7-K9 VanDerWaalsContact O-N 3.15Å
10	L	70.9	Confident	71.6	Confident	30 Å²	30	83.8 Å²	83.8	16%	0.157	43%	0.43	C	S	.	.	S	Bend	trans	-92.3	139.4	178.3	-63.7	173.2	0	0	0	109.9	L7 V14 I15	L7-L10 HydrophobicContact CD2-CD1 3.82Å; L7-L10 PolarHBondContact O-N 3.29Å; L7-L10 VanDerWaalsContact O-N 3.11Å; L10-V14 HydrophobicContact CD2-CG1 4.06Å; L10-I15 HydrophobicContact CB-CD1 4.11Å; L10-I15 HydrophobicContact CB-CG1 3.74Å; L10-I15 HydrophobicContact CD1-CG1 4.32Å
11	S	76.2	Confident	71.8	Confident	55 Å²	55	83.8 Å²	83.8	39%	0.385	43%	0.428	S	S	.	.			trans	-66.4	150.7	173.3	73.7	0	0	0	0	110.5	T13 V14 I15	S11-T13 PolarHBondContact O-N 3.12Å; S11-T13 VanDerWaalsContact O-N 3.15Å; S11-V14 PolarHBondContact O-N 3.16Å; S11-V14 WeakPolarHBondContact OG-CG2 3.35Å; S11-V14 PolarHBondContact OG-N 3.48Å; S11-I15 PolarHBondContact O-N 3.38Å
12	P	74.6	Confident	72.9	Confident	104 Å²	104	80.9 Å²	80.9	68%	0.675	41%	0.414	S	S	*	.	H	α-helix	trans	-52.2	-37.3	175.2	-26.2	34.1	0	0	0	112.4	I15 Q16	P12-I15 PolarHBondContact O-N 2.87Å; P12-Q16 WeakPolarHBondContact O-CB 3.35Å; P12-Q16 PolarHBondContact O-N 3.33Å
13	T	77.4	Confident	73.8	Confident	104 Å²	104	79.4 Å²	79.4	64%	0.638	40%	0.401	S	S	*	.	H	α-helix	trans	-63.2	-41.3	177.6	-19	0	0	0	0	112.7	S11 Q16 R17	S11-T13 PolarHBondContact O-N 3.12Å; S11-T13 VanDerWaalsContact O-N 3.15Å; T13-Q16 PolarHBondContact O-N 2.92Å; T13-R17 WeakPolarHBondContact O-CB 3.37Å; T13-R17 PolarHBondContact O-N 3.36Å
14	V	76	Confident	74.3	Confident	38 Å²	38	82.9 Å²	82.9	23%	0.23	41%	0.41	C	S	.	.	H	α-helix	trans	-69.4	-42.1	176.8	171.6	0	0	0	0	110.8	L10 S11 Q16 R17 D18 V65	L10-V14 HydrophobicContact CD2-CG1 4.06Å; S11-V14 PolarHBondContact O-N 3.16Å; S11-V14 WeakPolarHBondContact OG-CG2 3.35Å; S11-V14 PolarHBondContact OG-N 3.48Å; V14-Q16 VanDerWaalsContact C-N 3.28Å; V14-Q16 PolarHBondContact O-N 3.02Å; V14-R17 PolarHBondContact O-N 3.05Å; V14-D18 PolarHBondContact O-N 3.02Å; V14-V65 HydrophobicContact CG1-CG2 4.17Å
15	I	76.5	Confident	74.4	Confident	29 Å²	29	84 Å²	84	15%	0.149	41%	0.414	C	S	.	.	H	α-helix	trans	-59.5	-42.7	176.4	-66.3	174	0	0	0	110.5	M1 L10 S11 P12 I19 L22	M1-I15 HydrophobicContact CE-CG2 4.28Å; M1-I15 HydrophobicContact SD-CG2 3.45Å; M1-I15 WeakPolarHBondContact SD-CG2 3.34Å; L10-I15 HydrophobicContact CB-CD1 4.11Å; L10-I15 HydrophobicContact CB-CG1 3.74Å; L10-I15 HydrophobicContact CD1-CG1 4.32Å; S11-I15 PolarHBondContact O-N 3.38Å; P12-I15 PolarHBondContact O-N 2.87Å; I15-I19 WeakPolarHBondContact O-CA 3.36Å; I15-I19 VanDerWaalsContact O-CB 3.31Å; I15-I19 WeakPolarHBondContact O-CB 3.23Å; I15-I19 PolarHBondContact O-N 3.24Å; I15-I19 VanDerWaalsContact O-N 3.11Å; I15-L22 HydrophobicContact CB-CD1 4.36Å; I15-L22 HydrophobicContact CG1-CD1 4.45Å; I15-L22 HydrophobicContact CG2-CD1 4.05Å
16	Q	76.8	Confident	74.6	Confident	153 Å²	153	81.2 Å²	81.2	72%	0.715	40%	0.395	S	S	*	.	H	α-helix	trans	-72.8	-38.5	-178.2	-156.1	169.4	13.6	0	0	112.2	P12 T13 V14	P12-Q16 WeakPolarHBondContact O-CB 3.35Å; P12-Q16 PolarHBondContact O-N 3.33Å; T13-Q16 PolarHBondContact O-N 2.92Å; V14-Q16 VanDerWaalsContact C-N 3.28Å; V14-Q16 PolarHBondContact O-N 3.02Å
17	R	77.9	Confident	74.7	Confident	146 Å²	146	83.1 Å²	83.1	55%	0.551	41%	0.411	S	S	*	.	H	α-helix	trans	-64.3	-43.7	175.8	-170.4	-170.1	72.2	-172.3	-4.9	112.2	T13 V14	T13-R17 WeakPolarHBondContact O-CB 3.37Å; T13-R17 PolarHBondContact O-N 3.36Å; V14-R17 PolarHBondContact O-N 3.05Å
18	D	77.4	Confident	74.7	Confident	18 Å²	18	88.9 Å²	88.9	10%	0.096	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	21	-170.1	-60.7	-18.5	0	0	0	111.9	V14 Q20 Q21 L22 V65	V14-D18 PolarHBondContact O-N 3.02Å; D18-Q20 VanDerWaalsContact C-N 3.27Å; D18-Q20 PolarHBondContact O-N 3.15Å; D18-Q21 PolarHBondContact O-N 2.95Å; D18-L22 PolarHBondContact O-N 3.16Å; D18-V65 HydrophobicContact CB-CB 4.06Å; D18-V65 HydrophobicContact CB-CG2 3.46Å; D18-V65 VanDerWaalsContact CB-CG2 3.46Å; D18-V65 WeakPolarHBondContact OD2-CG2 3.36Å
19	I	77.5	Confident	74.5	Confident	71 Å²	71	81 Å²	81	36%	0.364	40%	0.404	S	S	.	.	H	α-helix	trans	-60.4	-35.6	-172.4	-148.1	162	0	0	0	112.7	M1 I15 L22 I23	M1-I19 HydrophobicContact CE-CG1 4.25Å; I15-I19 WeakPolarHBondContact O-CA 3.36Å; I15-I19 VanDerWaalsContact O-CB 3.31Å; I15-I19 WeakPolarHBondContact O-CB 3.23Å; I15-I19 PolarHBondContact O-N 3.24Å; I15-I19 VanDerWaalsContact O-N 3.11Å; I19-L22 PolarHBondContact O-N 2.9Å; I19-I23 VanDerWaalsContact O-CG1 3.23Å; I19-I23 WeakPolarHBondContact O-CG1 3.36Å; I19-I23 PolarHBondContact O-N 3.3Å
20	Q	76.6	Confident	74.2	Confident	138 Å²	138	75.8 Å²	75.8	65%	0.645	39%	0.389	S	S	*	.	H	α-helix	trans	-64.6	-41.6	175.4	-77.9	-78.2	-25.5	0	0	111.7	D18 I23 Q24	D18-Q20 VanDerWaalsContact C-N 3.27Å; D18-Q20 PolarHBondContact O-N 3.15Å; Q20-I23 PolarHBondContact O-N 3.46Å; Q20-Q24 PolarHBondContact O-N 2.96Å
21	Q	75.6	Confident	73.9	Confident	85 Å²	85	79.5 Å²	79.5	40%	0.397	40%	0.404	S	S	.	.	H	α-helix	trans	-68.5	-38.3	174.6	-70.9	-175.5	0.9	0	0	111.5	D18 I23 Q24 L25 V65	D18-Q21 PolarHBondContact O-N 2.95Å; Q21-I23 VanDerWaalsContact C-N 3.32Å; Q21-I23 PolarHBondContact O-N 3.35Å; Q21-Q24 PolarHBondContact O-N 3.19Å; Q21-L25 PolarHBondContact O-N 3.38Å; Q21-V65 HydrophobicContact CB-CG1 4.23Å
22	L	76.1	Confident	73.5	Confident	17 Å²	17	77.9 Å²	77.9	9%	0.089	39%	0.394	C	S	.	.	H	α-helix	trans	-62.9	-38.4	174.5	-73.5	171.8	0	0	0	112	M1 L7 I15 D18 I19 L25	M1-L22 HydrophobicContact CE-CD1 4.48Å; L7-L22 HydrophobicContact CD2-CD1 4.47Å; L7-L22 HydrophobicContact CD2-CD2 3.77Å; I15-L22 HydrophobicContact CB-CD1 4.36Å; I15-L22 HydrophobicContact CG1-CD1 4.45Å; I15-L22 HydrophobicContact CG2-CD1 4.05Å; D18-L22 PolarHBondContact O-N 3.16Å; I19-L22 PolarHBondContact O-N 2.9Å; L22-L25 WeakPolarHBondContact O-CB 3.5Å; L22-L25 PolarHBondContact O-N 3.06Å
23	I	75.7	Confident	73.1	Confident	78 Å²	78	79.3 Å²	79.3	40%	0.4	39%	0.386	S	S	.	.	H	α-helix	trans	-63.6	-40.9	175.8	-72.6	164.7	0	0	0	111.1	I19 Q20 Q21 L25 I26	I19-I23 VanDerWaalsContact O-CG1 3.23Å; I19-I23 WeakPolarHBondContact O-CG1 3.36Å; I19-I23 PolarHBondContact O-N 3.3Å; Q20-I23 PolarHBondContact O-N 3.46Å; Q21-I23 VanDerWaalsContact C-N 3.32Å; Q21-I23 PolarHBondContact O-N 3.35Å; I23-L25 PolarHBondContact O-N 3.23Å; I23-L25 VanDerWaalsContact O-N 3.16Å; I23-I26 HydrophobicContact CB-CD1 4.2Å; I23-I26 HydrophobicContact CG1-CD1 4.18Å; I23-I26 HydrophobicContact CG2-CD1 4.18Å; I23-I26 WeakPolarHBondContact O-CB 3.45Å; I23-I26 WeakPolarHBondContact O-CG1 3.19Å; I23-I26 PolarHBondContact O-N 3.08Å; I23-I26 VanDerWaalsContact O-N 3.12Å
24	Q	73.8	Confident	72.4	Confident	145 Å²	145	83.7 Å²	83.7	68%	0.678	39%	0.391	S	S	*	.	H	α-helix	trans	-64.6	-17.6	176.6	-69.3	-173	2.9	0	0	113.9	Q20 Q21 P27	Q20-Q24 PolarHBondContact O-N 2.96Å; Q21-Q24 PolarHBondContact O-N 3.19Å; Q24-P27 WeakPolarHBondContact O-CD 3.42Å
25	L	69.7	Low	71.7	Confident	36 Å²	36	85.6 Å²	85.6	19%	0.188	40%	0.399	C	S	.	.	H	α-helix	trans	-89.3	-13.8	177.3	-69.7	160	0	0	0	113.5	Q21 L22 I23 P27 R28 C29 L69	Q21-L25 PolarHBondContact O-N 3.38Å; L22-L25 WeakPolarHBondContact O-CB 3.5Å; L22-L25 PolarHBondContact O-N 3.06Å; I23-L25 PolarHBondContact O-N 3.23Å; I23-L25 VanDerWaalsContact O-N 3.16Å; L25-P27 VanDerWaalsContact C-CD 3.44Å; L25-P27 VanDerWaalsContact C-N 3.33Å; L25-R28 PolarHBondContact O-N 3.07Å; L25-C29 PolarHBondContact O-N 3.44Å; L25-C29 VanDerWaalsContact O-N 3.08Å; L25-L69 HydrophobicContact CD1-CD1 3.35Å; L25-L69 HydrophobicContact CD1-CD2 3.67Å; L25-L69 HydrophobicContact CD1-CG 4.07Å; L25-L69 HydrophobicContact CD2-CD2 4.19Å
26	I	69.9	Low	71.1	Confident	23 Å²	23	89.9 Å²	89.9	12%	0.118	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-52.2	-45.9	-180	-64.5	166.5	0	0	0	111.8	I23 R28 C29 A32 F36	I23-I26 HydrophobicContact CB-CD1 4.2Å; I23-I26 HydrophobicContact CG1-CD1 4.18Å; I23-I26 HydrophobicContact CG2-CD1 4.18Å; I23-I26 WeakPolarHBondContact O-CB 3.45Å; I23-I26 WeakPolarHBondContact O-CG1 3.19Å; I23-I26 PolarHBondContact O-N 3.08Å; I23-I26 VanDerWaalsContact O-N 3.12Å; I26-R28 PolarHBondContact O-N 3.48Å; I26-C29 PolarHBondContact O-N 3.28Å; I26-A32 HydrophobicContact CG1-CB 4.37Å; I26-F36 HydrophobicContact CB-CD2 4.46Å; I26-F36 HydrophobicContact CD1-CD1 3.99Å; I26-F36 HydrophobicContact CD1-CD2 3.46Å; I26-F36 VanDerWaalsContact CD1-CD2 3.46Å; I26-F36 HydrophobicContact CD1-CE1 3.85Å; I26-F36 HydrophobicContact CD1-CE2 3.3Å; I26-F36 HydrophobicContact CD1-CG 3.81Å; I26-F36 HydrophobicContact CD1-CZ 3.5Å; I26-F36 HydrophobicContact CG1-CD2 3.73Å; I26-F36 HydrophobicContact CG1-CE2 3.71Å; I26-F36 HydrophobicContact CG1-CG 4.43Å; I26-F36 HydrophobicContact CG1-CZ 4.38Å; I26-F36 HydrophobicContact CG2-CB 3.95Å; I26-F36 HydrophobicContact CG2-CD2 3.84Å; I26-F36 HydrophobicContact CG2-CG 4.06Å
27	P	70.7	Confident	70.4	Confident	79 Å²	79	87.6 Å²	87.6	51%	0.513	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-65.3	-24.6	179.4	-19.1	32.2	0	0	0	113.8	Q24 L25	Q24-P27 WeakPolarHBondContact O-CD 3.42Å; L25-P27 VanDerWaalsContact C-CD 3.44Å; L25-P27 VanDerWaalsContact C-N 3.33Å
28	R	72.7	Confident	69	Low	148 Å²	148	83.9 Å²	83.9	56%	0.558	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-96.3	-11.7	-173.9	-64.2	-176.6	173.1	-175.9	-2.7	114	L25 I26	L25-R28 PolarHBondContact O-N 3.07Å; I26-R28 PolarHBondContact O-N 3.48Å
29	C	67.4	Low	67.1	Low	20 Å²	20	87.6 Å²	87.6	14%	0.135	44%	0.44	C	S	.	.			trans	-109.5	113.4	-179.6	176.1	0	0	0	0	109.7	L25 I26 F31 A32 R33	L25-C29 PolarHBondContact O-N 3.44Å; L25-C29 VanDerWaalsContact O-N 3.08Å; I26-C29 PolarHBondContact O-N 3.28Å; C29-F31 PolarHBondContact O-N 3.27Å; C29-F31 VanDerWaalsContact O-N 3.1Å; C29-A32 HydrophobicContact CB-CB 3.74Å; C29-A32 PolarHBondContact O-N 3.2Å; C29-A32 VanDerWaalsContact O-N 3.11Å; C29-A32 PolarHBondContact SG-N 3.47Å; C29-A32 VanDerWaalsContact SG-N 3.37Å; C29-R33 WeakPolarHBondContact O-CB 3.38Å; C29-R33 PolarHBondContact O-N 3.21Å
30	P	68.1	Low	65.2	Low	75 Å²	75	89.9 Å²	89.9	49%	0.487	46%	0.459	S	S	.	.	H	α-helix	trans	-55.8	-32.7	-179.8	-23.2	31	0	0	0	113.2	R34 F75	P30-R34 PolarHBondContact O-N 3.32Å; P30-F75 WeakPolarHBondContact CD-O 3.2Å
31	F	65.4	Low	63.1	Low	108 Å²	108	91.8 Å²	91.8	47%	0.474	47%	0.473	S	S	.	.	H	α-helix	trans	-75.4	-43.1	179.1	-128.4	-86.6	0	0	0	112.5	C29 L35	C29-F31 PolarHBondContact O-N 3.27Å; C29-F31 VanDerWaalsContact O-N 3.1Å; F31-L35 HydrophobicContact CD1-CD1 4.44Å; F31-L35 PolarHBondContact O-N 2.89Å
32	A	67.6	Low	61.1	Low	21 Å²	21	93 Å²	93	17%	0.174	49%	0.491	C	S	.	.	H	α-helix	trans	-69.9	-40.2	178.3	0	0	0	0	0	111	I26 C29 R34 L35 F36	I26-A32 HydrophobicContact CG1-CB 4.37Å; C29-A32 HydrophobicContact CB-CB 3.74Å; C29-A32 PolarHBondContact O-N 3.2Å; C29-A32 VanDerWaalsContact O-N 3.11Å; C29-A32 PolarHBondContact SG-N 3.47Å; C29-A32 VanDerWaalsContact SG-N 3.37Å; A32-R34 VanDerWaalsContact C-N 3.35Å; A32-R34 PolarHBondContact O-N 3.22Å; A32-L35 WeakPolarHBondContact O-CB 3.45Å; A32-L35 PolarHBondContact O-N 2.85Å; A32-F36 WeakPolarHBondContact O-CD2 3.34Å; A32-F36 PolarHBondContact O-N 3.16Å; A32-F36 VanDerWaalsContact O-N 3.07Å
33	R	67.2	Low	59	Low	134 Å²	134	97.5 Å²	97.5	51%	0.506	52%	0.524	S	S	.	.	H	α-helix	trans	-56	-48.3	177.6	-152.2	173.8	-174.9	174	0.8	111.6	C29 L35 F36 D37	C29-R33 WeakPolarHBondContact O-CB 3.38Å; C29-R33 PolarHBondContact O-N 3.21Å; R33-L35 VanDerWaalsContact C-N 3.31Å; R33-L35 PolarHBondContact O-N 3.11Å; R33-F36 PolarHBondContact O-N 3.15Å; R33-F36 VanDerWaalsContact O-N 3.16Å; R33-D37 WeakPolarHBondContact O-CB 3.42Å; R33-D37 PolarHBondContact O-N 2.8Å
34	R	62.1	Low	57	Low	196 Å²	196	98.7 Å²	98.7	74%	0.74	54%	0.537	S	S	*	.	H	α-helix	trans	-65.9	-28.1	175.7	-72.9	-177.3	-175	173.7	1.8	114.4	P30 A32	P30-R34 PolarHBondContact O-N 3.32Å; A32-R34 VanDerWaalsContact C-N 3.35Å; A32-R34 PolarHBondContact O-N 3.22Å
35	L	61.8	Low	54.8	Low	77 Å²	77	103.1 Å²	103.1	40%	0.403	55%	0.547	S	S	.	.	H	α-helix	trans	-73.2	-27.2	174.8	-91.9	160.1	0	0	0	112.8	F31 A32 R33	F31-L35 HydrophobicContact CD1-CD1 4.44Å; F31-L35 PolarHBondContact O-N 2.89Å; A32-L35 WeakPolarHBondContact O-CB 3.45Å; A32-L35 PolarHBondContact O-N 2.85Å; R33-L35 VanDerWaalsContact C-N 3.31Å; R33-L35 PolarHBondContact O-N 3.11Å
36	F	62.6	Low	52.9	Low	120 Å²	120	109.6 Å²	109.6	53%	0.526	58%	0.579	S	S	.	*	H	α-helix	trans	-98.3	-26.6	-179	-83.1	-86.4	0	0	0	113.7	I26 A32 R33 G38	I26-F36 HydrophobicContact CB-CD2 4.46Å; I26-F36 HydrophobicContact CD1-CD1 3.99Å; I26-F36 HydrophobicContact CD1-CD2 3.46Å; I26-F36 VanDerWaalsContact CD1-CD2 3.46Å; I26-F36 HydrophobicContact CD1-CE1 3.85Å; I26-F36 HydrophobicContact CD1-CE2 3.3Å; I26-F36 HydrophobicContact CD1-CG 3.81Å; I26-F36 HydrophobicContact CD1-CZ 3.5Å; I26-F36 HydrophobicContact CG1-CD2 3.73Å; I26-F36 HydrophobicContact CG1-CE2 3.71Å; I26-F36 HydrophobicContact CG1-CG 4.43Å; I26-F36 HydrophobicContact CG1-CZ 4.38Å; I26-F36 HydrophobicContact CG2-CB 3.95Å; I26-F36 HydrophobicContact CG2-CD2 3.84Å; I26-F36 HydrophobicContact CG2-CG 4.06Å; A32-F36 WeakPolarHBondContact O-CD2 3.34Å; A32-F36 PolarHBondContact O-N 3.16Å; A32-F36 VanDerWaalsContact O-N 3.07Å; R33-F36 PolarHBondContact O-N 3.15Å; R33-F36 VanDerWaalsContact O-N 3.16Å; F36-G38 VanDerWaalsContact C-N 3.25Å; F36-G38 PolarHBondContact O-N 3.4Å
37	D	62.7	Low	51	Low	105 Å²	105	118.9 Å²	118.9	56%	0.561	61%	0.614	S	S	*	*	S	Bend	trans	-78.3	-0.6	-179.2	-72.2	-16.5	0	0	0	114.2	R33 T39	R33-D37 WeakPolarHBondContact O-CB 3.42Å; R33-D37 PolarHBondContact O-N 2.8Å; D37-T39 PolarHBondContact O-N 3.42Å
38	G	47.6	Very low	49.2	Very low	68 Å²	68	119.2 Å²	119.2	70%	0.701	62%	0.618	S	S	*	*			trans	65	4.7	172.3	0	0	0	0	0	116.2	F36	F36-G38 VanDerWaalsContact C-N 3.25Å; F36-G38 PolarHBondContact O-N 3.4Å
39	T	38.6	Very low	47.3	Very low	96 Å²	96	119.3 Å²	119.3	59%	0.589	63%	0.63	S	S	*	*			trans	-64.9	127.3	-179.1	25.5	0	0	0	0	112.5	D37	D37-T39 PolarHBondContact O-N 3.42Å
40	P	36.4	Very low	45.6	Very low	118 Å²	118	124.7 Å²	124.7	77%	0.766	66%	0.661	S	S	*	*			trans	-65.9	146.3	175.1	-12.4	25.3	0	0	0	112.2	S42	P40-S42 PolarHBondContact O-N 3.41Å
41	L	33	Very low	43.9	Very low	179 Å²	179	125 Å²	125	94%	0.937	67%	0.671	S	S	*	*			trans	-71.1	103.1	169.1	-82.5	151.5	0	0	0	110.1
42	S	35.2	Very low	42.3	Very low	109 Å²	109	126.1 Å²	126.1	76%	0.762	69%	0.686	S	S	*	*			trans	-109.2	93.2	163.7	58.3	0	0	0	0	109.8	P40	P40-S42 PolarHBondContact O-N 3.41Å
43	S	30.8	Very low	40.6	Very low	112 Å²	112	132.7 Å²	132.7	78%	0.783	71%	0.714	S	S	*	*	S	Bend	trans	52.8	144.5	160.5	-177.7	0	0	0	0	119.6
44	P	33.8	Very low	38.9	Very low	104 Å²	104	133.4 Å²	133.4	68%	0.675	72%	0.722	S	S	*	*			cis	-128.4	-179.5	-23.9	30.9	-11.4	0	0	0	111.6
45	R	28.5	Very low	37.4	Very low	237 Å²	237	132 Å²	132	89%	0.894	72%	0.724	S	S	*	*			trans	89.9	89.8	170.2	-55.1	177.8	174.5	-173.4	-3.3	116.2
46	M	29.5	Very low	35.9	Very low	172 Å²	172	133.2 Å²	133.2	85%	0.847	74%	0.739	S	S	*	*			trans	155	110.2	139.2	-88.6	-159.2	149.5	0	0	110.6
47	Y	29.3	Very low	34.5	Very low	219 Å²	219	135.7 Å²	135.7	86%	0.859	76%	0.758	S	S	*	*			trans	-146.2	115.8	154.5	-99.2	-90.3	0	0	0	105
48	S	32.6	Very low	33.1	Very low	85 Å²	85	139.1 Å²	139.1	59%	0.594	77%	0.77	S	S	*	*				94.8	138.5	98.6	84.5	0	0	0	0	109
49	D	32.8	Very low	32.6	Very low	151 Å²	151	141.3 Å²	141.3	81%	0.807	78%	0.775	S	S	*	*			cis	-147	149.4	29.7	-85.3	-63.3	0	0	0	112.9
50	V	32.3	Very low	33	Very low	132 Å²	132	141.2 Å²	141.2	80%	0.8	78%	0.779	S	S	*	*			trans	-97.9	133.9	169.1	170.4	0	0	0	0	106.8
51	A	31.3	Very low	33.4	Very low	83 Å²	83	142.5 Å²	142.5	69%	0.686	78%	0.784	S	S	*	*			trans	157.1	116.8	134	0	0	0	0	0	111.8
52	T	32.6	Very low	34.1	Very low	130 Å²	130	136.1 Å²	136.1	80%	0.798	75%	0.754	S	S	*	*			trans	178.2	99.5	139.3	18.8	0	0	0	0	106.6
53	E	31	Very low	35.1	Very low	160 Å²	160	138.8 Å²	138.8	75%	0.748	75%	0.752	S	S	*	*				81	113.8	103.6	-83.9	-171.9	170.5	0	0	114.7
54	H	32.3	Very low	36.2	Very low	149 Å²	149	136.6 Å²	136.6	69%	0.69	73%	0.731	S	S	*	*			trans	117.7	120.4	138.9	-72.6	-47.9	0	0	0	120.6
55	Q	30.8	Very low	37.2	Very low	165 Å²	165	131.8 Å²	131.8	77%	0.771	70%	0.7	S	S	*	*			trans	72.6	88.7	145.1	-67.7	171.1	-0.5	0	0	116.2
56	S	31	Very low	38.7	Very low	104 Å²	104	123.2 Å²	123.2	73%	0.727	68%	0.676	S	S	*	*				67.9	99.7	86.3	70.2	0	0	0	0	112.7
57	D	32.7	Very low	40.1	Very low	171 Å²	171	119.9 Å²	119.9	91%	0.914	66%	0.658	S	S	*	*			trans	-135	112	142.5	-137.1	-6.2	0	0	0	107.7
58	E	34	Very low	41.3	Very low	177 Å²	177	110.3 Å²	110.3	83%	0.827	62%	0.624	S	S	*	*			trans	-77.8	124.7	-178	-67.7	179.3	140.6	0	0	109.5
59	S	37.1	Very low	42.5	Very low	114 Å²	114	107.4 Å²	107.4	80%	0.797	60%	0.601	S	S	*	*			trans	166.2	95.2	140.1	48.6	0	0	0	0	111.9
60	S	46.4	Very low	43.5	Very low	95 Å²	95	106.2 Å²	106.2	66%	0.664	59%	0.594	S	S	*	*			trans	170.3	84.8	139.9	46.2	0	0	0	0	109.2	C62	S60-C62 PolarHBondContact O-N 2.89Å
61	V	45.1	Very low	44.5	Very low	145 Å²	145	109 Å²	109	88%	0.879	60%	0.595	S	S	*	*			trans	-72.2	115.5	168.1	-178.3	0	0	0	0	107.4
62	C	47.6	Very low	45.9	Very low	45 Å²	45	111.4 Å²	111.4	30%	0.304	59%	0.591	S	S	.	*			trans	-65.6	134.5	172.7	-62.1	0	0	0	0	109.1	S60 C68	S60-C62 PolarHBondContact O-N 2.89Å; C62-C68 HydrophobicContact CB-CB 4.1Å
63	K	56.2	Low	47.1	Very low	165 Å²	165	106.1 Å²	106.1	72%	0.717	56%	0.558	S	S	*	*	S	Bend	trans	-74.9	-27.8	-172.6	-68.7	178.7	175.6	176.9	0	113.4	E67	K63-E67 WeakPolarHBondContact CB-OE2 3.4Å; K63-E67 PolarHBondContact N-OE2 3.37Å
64	N	53.9	Low	48.1	Very low	65 Å²	65	103.5 Å²	103.5	35%	0.348	56%	0.555	S	S	.	*	S	Bend	trans	-156.8	166.3	178.2	56.8	46.7	0	0	0	112.3	S66 E67 C68	N64-S66 PolarHBondContact O-N 3.1Å; N64-S66 WeakPolarHBondContact OD1-CB 3.44Å; N64-S66 PolarHBondContact OD1-N 3.15Å; N64-E67 PolarHBondContact O-N 3.21Å; N64-E67 VanDerWaalsContact O-N 3.16Å; N64-E67 WeakPolarHBondContact OD1-CB 3.37Å; N64-E67 PolarHBondContact OD1-N 3.15Å; N64-C68 PolarHBondContact O-N 3.12Å
65	V	54.9	Low	49.4	Very low	4 Å²	4	101.8 Å²	101.8	2%	0.024	55%	0.546	C	S	.	.	H	α-helix	trans	-53.9	-37.3	176.6	159.8	0	0	0	0	111.7	V14 D18 Q21 E67 C68 L69	V14-V65 HydrophobicContact CG1-CG2 4.17Å; D18-V65 HydrophobicContact CB-CB 4.06Å; D18-V65 HydrophobicContact CB-CG2 3.46Å; D18-V65 VanDerWaalsContact CB-CG2 3.46Å; D18-V65 WeakPolarHBondContact OD2-CG2 3.36Å; Q21-V65 HydrophobicContact CB-CG1 4.23Å; V65-E67 PolarHBondContact O-N 3.11Å; V65-C68 PolarHBondContact O-N 3.37Å; V65-L69 HydrophobicContact CB-CD1 4.26Å; V65-L69 HydrophobicContact CG1-CD1 3.23Å; V65-L69 WeakPolarHBondContact O-CB 3.48Å; V65-L69 WeakPolarHBondContact O-CD1 3.43Å; V65-L69 PolarHBondContact O-N 3.25Å
66	S	60.1	Low	50.6	Low	57 Å²	57	95.6 Å²	95.6	40%	0.399	52%	0.519	S	S	.	.	H	α-helix	trans	-61.7	-42.7	177.9	-39.1	0	0	0	0	112.8	N64 C68 L70	N64-S66 PolarHBondContact O-N 3.1Å; N64-S66 WeakPolarHBondContact OD1-CB 3.44Å; N64-S66 PolarHBondContact OD1-N 3.15Å; S66-C68 VanDerWaalsContact C-N 3.3Å; S66-C68 PolarHBondContact O-N 3.27Å; S66-L70 PolarHBondContact O-N 3.18Å
67	E	58.4	Low	51.5	Low	101 Å²	101	95.9 Å²	95.9	47%	0.472	52%	0.517	S	S	.	.	H	α-helix	trans	-69.4	-30	177.4	-158.3	175.5	-146.7	0	0	111.9	K63 N64 V65	K63-E67 WeakPolarHBondContact CB-OE2 3.4Å; K63-E67 PolarHBondContact N-OE2 3.37Å; N64-E67 PolarHBondContact O-N 3.21Å; N64-E67 VanDerWaalsContact O-N 3.16Å; N64-E67 WeakPolarHBondContact OD1-CB 3.37Å; N64-E67 PolarHBondContact OD1-N 3.15Å; V65-E67 PolarHBondContact O-N 3.11Å
68	C	54	Low	52	Low	19 Å²	19	93.5 Å²	93.5	13%	0.128	50%	0.504	C	S	.	.	H	α-helix	trans	-83.8	-35.4	-178.4	-154.5	0	0	0	0	113.3	C62 N64 V65 S66	C62-C68 HydrophobicContact CB-CB 4.1Å; N64-C68 PolarHBondContact O-N 3.12Å; V65-C68 PolarHBondContact O-N 3.37Å; S66-C68 VanDerWaalsContact C-N 3.3Å; S66-C68 PolarHBondContact O-N 3.27Å
69	L	57.3	Low	52	Low	24 Å²	24	89.4 Å²	89.4	13%	0.126	50%	0.495	C	S	.	.	H	α-helix	trans	-89.7	-30.5	-171.4	-91.3	136.1	0	0	0	115.2	F6 L25 V65 C73 T76	F6-L69 HydrophobicContact CE1-CG 4.33Å; L25-L69 HydrophobicContact CD1-CD1 3.35Å; L25-L69 HydrophobicContact CD1-CD2 3.67Å; L25-L69 HydrophobicContact CD1-CG 4.07Å; L25-L69 HydrophobicContact CD2-CD2 4.19Å; V65-L69 HydrophobicContact CB-CD1 4.26Å; V65-L69 HydrophobicContact CG1-CD1 3.23Å; V65-L69 WeakPolarHBondContact O-CB 3.48Å; V65-L69 WeakPolarHBondContact O-CD1 3.43Å; V65-L69 PolarHBondContact O-N 3.25Å; L69-C73 HydrophobicContact CD2-CB 4.48Å; L69-T76 HydrophobicContact CD2-CG2 3.99Å
70	L	54.3	Low	51.8	Low	126 Å²	126	93.4 Å²	93.4	66%	0.66	50%	0.498	S	S	*	.	H	α-helix	trans	-83.4	-11.5	-176.6	-78.1	163.4	0	0	0	114.3	S66	S66-L70 PolarHBondContact O-N 3.18Å
71	K	54.4	Low	50.8	Low	190 Å²	190	98.1 Å²	98.1	83%	0.826	51%	0.51	S	S	*	.	H	α-helix	trans	-124.5	-13	-176.4	-71.4	-171.2	176.6	-178.6	0	116.2
72	K	59.4	Low	50	Low	134 Å²	134	96.8 Å²	96.8	58%	0.583	51%	0.507	S	S	*	.	H	α-helix	trans	-137.2	-3.5	-168.3	-69.5	-170.8	179	-179.9	0	116.9	P74	K72-P74 WeakPolarHBondContact O-CD 3.46Å
73	C	57.5	Low	48.9	Very low	18 Å²	18	101.1 Å²	101.1	12%	0.122	53%	0.532	C	S	.	.			trans	-90	110.7	177.9	-171.7	0	0	0	0	110.6	F6 L69 F75 T76	F6-C73 HydrophobicContact CD2-CB 4.36Å; F6-C73 HydrophobicContact CE1-CB 4.47Å; F6-C73 HydrophobicContact CE2-CB 3.83Å; F6-C73 HydrophobicContact CZ-CB 3.88Å; L69-C73 HydrophobicContact CD2-CB 4.48Å; C73-F75 PolarHBondContact O-N 3.08Å; C73-T76 HydrophobicContact CB-CG2 4.38Å; C73-T76 PolarHBondContact O-OG1 2.82Å
74	P	53.3	Low	47.6	Very low	105 Å²	105	99.7 Å²	99.7	68%	0.682	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	0.6	178.3	28.8	-33.9	0	0	0	113.6	K72	K72-P74 WeakPolarHBondContact O-CD 3.46Å
75	F	59.7	Low	46.3	Very low	113 Å²	113	101.4 Å²	101.4	50%	0.496	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.7	-2	-174.1	-54.6	-71.1	0	0	0	114.5	P30 C73	P30-F75 WeakPolarHBondContact CD-O 3.2Å; C73-F75 PolarHBondContact O-N 3.08Å
76	T	55.9	Low	45.2	Very low	35 Å²	35	108 Å²	108	22%	0.215	59%	0.594	C	S	.	*			trans	-94.3	122	176.4	36.8	0	0	0	0	110.4	L69 C73	L69-T76 HydrophobicContact CD2-CG2 3.99Å; C73-T76 HydrophobicContact CB-CG2 4.38Å; C73-T76 PolarHBondContact O-OG1 2.82Å
77	V	50	Low	43.7	Very low	111 Å²	111	111.7 Å²	111.7	67%	0.673	61%	0.609	S	S	*	*			trans	-80.7	117.5	175.4	-163.4	0	0	0	0	108.5	S79	V77-S79 PolarHBondContact O-N 3.07Å
78	N	42.9	Very low	42.5	Very low	121 Å²	121	118.3 Å²	118.3	65%	0.647	63%	0.631	S	S	*	*			trans	-78.4	109.7	169.5	-85.8	-16.1	0	0	0	108.8
79	S	33	Very low	41.5	Very low	90 Å²	90	125.3 Å²	125.3	63%	0.629	67%	0.666	S	S	*	*			trans	-96	99.4	163.7	57	0	0	0	0	108.5	V77	V77-S79 PolarHBondContact O-N 3.07Å
80	F	33.1	Very low	40	Very low	198 Å²	198	129.5 Å²	129.5	87%	0.868	70%	0.697	S	S	*	*			trans	-122.7	113.3	160.9	-103.1	-85.9	0	0	0	107.5
81	E	26.2	Very low	38.9	Very low	195 Å²	195	127.2 Å²	127.2	91%	0.911	70%	0.704	S	S	*	*			trans	-66.5	131.7	168.8	-67.7	170.1	154.1	0	0	109.4
82	S	28.8	Very low	37.7	Very low	116 Å²	116	126.1 Å²	126.1	81%	0.811	70%	0.702	S	S	*	*			trans	-148.1	108.8	156.8	64.2	0	0	0	0	109.1
83	T	24	Very low	36.4	Very low	136 Å²	136	126 Å²	126	83%	0.834	71%	0.712	S	S	*	*			trans	-62.7	134.2	169.2	43.7	0	0	0	0	111.6
84	C	28.3	Very low	35	Very low	135 Å²	135	129.6 Å²	129.6	91%	0.912	74%	0.737	S	S	*	*			trans	-150.8	120.4	147.3	-104.7	0	0	0	0	109.3
85	S	26.8	Very low	34	Very low	102 Å²	102	131 Å²	131	71%	0.713	74%	0.739	S	S	*	*			trans	-78.7	147	-179.1	38.5	0	0	0	0	112.8
86	N	31.1	Very low	32.6	Very low	143 Å²	143	131.8 Å²	131.8	77%	0.765	75%	0.748	S	S	*	*				171.8	107.9	121.8	-85.4	-3.2	0	0	0	111
87	D	29.6	Very low	31.5	Very low	134 Å²	134	137.5 Å²	137.5	72%	0.717	77%	0.772	S	S	*	*			trans	28.1	122.7	135.2	-55.1	-22.7	0	0	0	120.4
88	Y	32.4	Very low	30.6	Very low	239 Å²	239	139.6 Å²	139.6	94%	0.937	78%	0.775	S	S	*	*				-151.5	136	123.8	-102.5	-78.3	0	0	0	110.4
89	L	33.5	Very low	30	Very low	166 Å²	166	140 Å²	140	87%	0.869	78%	0.777	S	S	*	*			trans	-70.5	154.6	-162.5	-90.6	96.7	0	0	0	116.7
90	C	25.6	Very low	29.8	Very low	113 Å²	113	143.5 Å²	143.5	76%	0.764	78%	0.784	S	S	*	*			trans	-74.7	149	168.8	-175.8	0	0	0	0	112.9
91	G	31.8	Very low	29.6	Very low	78 Å²	78	140.6 Å²	140.6	80%	0.804	78%	0.776	S	S	*	*			trans	-161.8	109.5	164.4	0	0	0	0	0	110.7
92	Q	28.6	Very low	29.6	Very low	167 Å²	167	141.3 Å²	141.3	78%	0.78	78%	0.777	S	S	*	*			trans	-86.7	174.3	180	-69.6	179.9	-31.6	0	0	112.8
93	T	31.7	Very low	29.6	Very low	131 Å²	131	143.5 Å²	143.5	80%	0.804	77%	0.774	S	S	*	*			trans	89	142.1	162.4	73.3	0	0	0	0	114.9
94	S	29.4	Very low	29.8	Very low	93 Å²	93	143.7 Å²	143.7	65%	0.65	77%	0.77	S	S	*	*			cis	-179.7	157.7	-21.3	44.8	0	0	0	0	105.4
95	D	31.1	Very low	29.8	Very low	134 Å²	134	146 Å²	146	72%	0.717	77%	0.767	S	S	*	*			trans	83.8	117.5	151.6	-66	-7.7	0	0	0	123.1
96	N	31.4	Very low	29.8	Very low	130 Å²	130	150 Å²	150	70%	0.695	78%	0.78	S	S	*	*				89	141.7	124.3	-65.3	-19.6	0	0	0	123.5
97	H	32.6	Very low	29.6	Very low	155 Å²	155	149.3 Å²	149.3	72%	0.718	79%	0.785	S	S	*	*			trans	77.7	108.4	164.9	-66.1	-69.1	0	0	0	117.4
98	E	30.6	Very low	29.4	Very low	155 Å²	155	146.3 Å²	146.3	72%	0.724	79%	0.785	S	S	*	*				79.1	124.1	73.4	-81.6	-172.7	151.2	0	0	114.6
99	N	30.2	Very low	29.2	Very low	129 Å²	129	143.3 Å²	143.3	69%	0.69	78%	0.784	S	S	*	*			trans	72.6	124.5	147.3	-71.9	-18.8	0	0	0	122.4
100	E	29.2	Very low	29.2	Very low	165 Å²	165	140.4 Å²	140.4	77%	0.771	78%	0.777	S	S	*	*			trans	84.2	128.5	131.7	-78.4	-177.6	173.5	0	0	121.2
101	L	28.7	Very low	29.4	Very low	137 Å²	137	142.1 Å²	142.1	72%	0.717	78%	0.779	S	S	*	*			trans	65.8	92.1	146	-82	141.4	0	0	0	118
102	F	27.4	Very low	29.5	Very low	210 Å²	210	146 Å²	146	92%	0.921	78%	0.781	S	S	*	*			trans	-132.9	86.4	145.4	-103.7	-89.7	0	0	0	110.3
103	Q	27	Very low	29.5	Very low	162 Å²	162	146 Å²	146	76%	0.757	79%	0.785	S	S	*	*			trans	-76.4	146.4	143.7	-91.5	-173.7	-24.3	0	0	108
104	N	28.8	Very low	29.6	Very low	139 Å²	139	145.1 Å²	145.1	74%	0.743	78%	0.783	S	S	*	*			trans	105	131.7	167.5	-60.7	-33.7	0	0	0	116.5
105	Q	28.1	Very low	29.7	Very low	184 Å²	184	145.6 Å²	145.6	86%	0.86	78%	0.777	S	S	*	*			trans	79.1	84.9	162.1	-63.7	173.2	-12.4	0	0	116.7
106	L	27.8	Very low	29.7	Very low	186 Å²	186	144 Å²	144	97%	0.974	77%	0.774	S	S	*	*				-142.2	95.4	123.9	-97.1	164.2	0	0	0	108.3
107	C	26.4	Very low	30	Very low	129 Å²	129	145.4 Å²	145.4	87%	0.872	78%	0.781	S	S	*	*			trans	-82.9	140.7	168.8	-154.3	0	0	0	0	107.9
108	G	25.8	Very low	30.1	Very low	70 Å²	70	144.2 Å²	144.2	72%	0.722	79%	0.785	S	S	*	*			trans	82.1	87.7	157.4	0	0	0	0	0	116.9
109	I	28.5	Very low	30.2	Very low	176 Å²	176	140.1 Å²	140.1	90%	0.903	77%	0.773	S	S	*	*			trans	-122.7	102.1	144.3	-61	-179.9	0	0	0	106.4
110	S	32.9	Very low	30.4	Very low	106 Å²	106	138.5 Å²	138.5	74%	0.741	78%	0.778	S	S	*	*			trans	-64.8	153.4	168.5	48.9	0	0	0	0	111.4	D112	S110-D112 PolarHBondContact O-N 3.34Å
111	D	28.9	Very low	30.9	Very low	149 Å²	149	137.8 Å²	137.8	80%	0.797	78%	0.778	S	S	*	*	S	Bend	trans	-42	117.6	170.2	-64	-53.1	0	0	0	113.1
112	D	33.6	Very low	31.6	Very low	160 Å²	160	135.5 Å²	135.5	86%	0.856	76%	0.763	S	S	*	*			trans	-178.9	88.7	146	-95.1	-25.5	0	0	0	109	S110 C114	S110-D112 PolarHBondContact O-N 3.34Å; D112-C114 PolarHBondContact O-N 2.84Å
113	I	29.7	Very low	32.4	Very low	167 Å²	167	128.5 Å²	128.5	86%	0.856	74%	0.743	S	S	*	*			trans	-74.6	95.8	166.6	-63.3	176.2	0	0	0	107.3	I115	I113-I115 PolarHBondContact O-N 3.38Å
114	C	33.9	Very low	33.1	Very low	112 Å²	112	123.1 Å²	123.1	76%	0.757	73%	0.731	S	S	*	*			trans	-70.3	109.2	168.9	-155.4	0	0	0	0	109	D112	D112-C114 PolarHBondContact O-N 2.84Å
115	I	30.8	Very low	33.9	Very low	103 Å²	103	122.3 Å²	122.3	53%	0.528	72%	0.718	S	S	.	*			trans	-68.2	127.6	173.2	-60.1	172.8	0	0	0	108	I113 N117 F122	I113-I115 PolarHBondContact O-N 3.38Å; I115-N117 PolarHBondContact O-N 3.35Å; I115-F122 HydrophobicContact CD1-CZ 4.47Å
116	P	32.4	Very low	34.9	Very low	99 Å²	99	119.2 Å²	119.2	64%	0.643	70%	0.703	S	S	*	*			trans	-59.1	129.5	179.7	-21.6	31.1	0	0	0	112.3	T118	P116-T118 PolarHBondContact O-N 3.01Å
117	N	35.9	Very low	36.1	Very low	160 Å²	160	118.6 Å²	118.6	86%	0.856	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	30.9	-177.5	-76	-30.2	0	0	0	115.4	I115	I115-N117 PolarHBondContact O-N 3.35Å
118	T	35.7	Very low	37	Very low	131 Å²	131	114.6 Å²	114.6	80%	0.804	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.4	9.4	-174.6	54.4	0	0	0	0	115.2	P116 A120	P116-T118 PolarHBondContact O-N 3.01Å; T118-A120 PolarHBondContact O-N 3.14Å
119	C	31.8	Very low	38.2	Very low	68 Å²	68	114.2 Å²	114.2	46%	0.459	65%	0.647	S	S	.	*			trans	-85.7	109.5	171.4	-171.3	0	0	0	0	111.1	L121 F122	C119-L121 PolarHBondContact O-N 3.41Å; C119-F122 HydrophobicContact CB-CB 4.35Å; C119-F122 WeakPolarHBondContact O-CB 3.34Å; C119-F122 PolarHBondContact O-N 2.61Å
120	A	35.7	Very low	39.2	Very low	96 Å²	96	111.1 Å²	111.1	79%	0.793	64%	0.636	S	S	*	*	H	α-helix	trans	-57.5	-16.3	176.5	0	0	0	0	0	114.1	T118	T118-A120 PolarHBondContact O-N 3.14Å
121	L	38.5	Very low	39.9	Very low	150 Å²	150	109.2 Å²	109.2	79%	0.785	63%	0.627	S	S	*	*	H	α-helix	trans	-80.2	-21	173	-74.1	156.4	0	0	0	113.4	C119	C119-L121 PolarHBondContact O-N 3.41Å
122	F	44	Very low	40.8	Very low	89 Å²	89	112 Å²	112	39%	0.39	63%	0.626	S	S	.	*	H	α-helix	trans	-84.5	-35.8	-177.6	-140.1	-95	0	0	0	112.7	I115 C119 G124 W125 Q126	I115-F122 HydrophobicContact CD1-CZ 4.47Å; C119-F122 HydrophobicContact CB-CB 4.35Å; C119-F122 WeakPolarHBondContact O-CB 3.34Å; C119-F122 PolarHBondContact O-N 2.61Å; F122-G124 VanDerWaalsContact C-N 3.3Å; F122-G124 PolarHBondContact O-N 2.75Å; F122-W125 HydrophobicContact CE1-CE3 4.29Å; F122-W125 HydrophobicContact CE1-CZ3 4.37Å; F122-W125 HydrophobicContact CZ-CE3 4.31Å; F122-W125 HydrophobicContact CZ-CZ3 4.24Å; F122-W125 PolarHBondContact O-N 3.22Å; F122-Q126 PolarHBondContact O-N 3.02Å
123	A	44.9	Very low	41.4	Very low	62 Å²	62	113 Å²	113	51%	0.512	62%	0.623	S	S	.	*	H	α-helix	trans	-65.6	-31.9	176.5	0	0	0	0	0	112.8
124	G	41.8	Very low	41.7	Very low	49 Å²	49	109.2 Å²	109.2	51%	0.505	61%	0.611	S	S	.	*	H	α-helix	trans	-69.1	-34.4	173.2	0	0	0	0	0	113.1	F122 S128	F122-G124 VanDerWaalsContact C-N 3.3Å; F122-G124 PolarHBondContact O-N 2.75Å; G124-S128 PolarHBondContact O-N 3.16Å
125	W	44.9	Very low	41.8	Very low	123 Å²	123	111 Å²	111	47%	0.466	61%	0.612	S	S	.	*	H	α-helix	trans	-72.3	-44.6	-178.6	-176.5	71.7	0	0	0	112.6	F122 K127 S128 I129	F122-W125 HydrophobicContact CE1-CE3 4.29Å; F122-W125 HydrophobicContact CE1-CZ3 4.37Å; F122-W125 HydrophobicContact CZ-CE3 4.31Å; F122-W125 HydrophobicContact CZ-CZ3 4.24Å; F122-W125 PolarHBondContact O-N 3.22Å; W125-K127 PolarHBondContact O-N 3.05Å; W125-S128 WeakPolarHBondContact O-CB 3.36Å; W125-S128 PolarHBondContact O-N 3.26Å; W125-S128 VanDerWaalsContact O-N 3.07Å; W125-S128 PolarHBondContact O-OG 3.13Å; W125-I129 HydrophobicContact CD2-CD1 3.79Å; W125-I129 HydrophobicContact CE3-CD1 4.06Å; W125-I129 HydrophobicContact CH2-CD1 3.58Å; W125-I129 HydrophobicContact CZ2-CD1 3.27Å; W125-I129 HydrophobicContact CZ3-CD1 3.96Å; W125-I129 PolarHBondContact O-N 2.79Å
126	Q	48.8	Very low	42.2	Very low	118 Å²	118	114.8 Å²	114.8	55%	0.551	63%	0.628	S	S	*	*	H	α-helix	trans	-61.5	-40.5	177.2	-86	-175.7	-32.8	0	0	112.8	F122 S128 I129 V130	F122-Q126 PolarHBondContact O-N 3.02Å; Q126-S128 VanDerWaalsContact C-N 3.26Å; Q126-S128 PolarHBondContact O-N 2.94Å; Q126-I129 PolarHBondContact O-N 3.15Å; Q126-V130 PolarHBondContact O-N 2.79Å
127	K	52.6	Low	42.5	Very low	173 Å²	173	115.7 Å²	115.7	75%	0.752	63%	0.634	S	S	*	*	H	α-helix	trans	-62.8	-32.1	174.2	-75.6	-173.7	176.7	-176.6	0	112.4	W125 A131	W125-K127 PolarHBondContact O-N 3.05Å; K127-A131 WeakPolarHBondContact O-CB 3.12Å; K127-A131 PolarHBondContact O-N 3.43Å
128	S	45.3	Very low	42.2	Very low	45 Å²	45	114.7 Å²	114.7	32%	0.315	63%	0.634	S	S	.	*	H	α-helix	trans	-74.9	-23.5	177.4	84.5	0	0	0	0	114.5	G124 W125 Q126 R132	G124-S128 PolarHBondContact O-N 3.16Å; W125-S128 WeakPolarHBondContact O-CB 3.36Å; W125-S128 PolarHBondContact O-N 3.26Å; W125-S128 VanDerWaalsContact O-N 3.07Å; W125-S128 PolarHBondContact O-OG 3.13Å; Q126-S128 VanDerWaalsContact C-N 3.26Å; Q126-S128 PolarHBondContact O-N 2.94Å; S128-R132 WeakPolarHBondContact O-CG 3.38Å
129	I	51.8	Low	42.1	Very low	63 Å²	63	115.2 Å²	115.2	32%	0.323	64%	0.637	S	S	.	*	H	α-helix	trans	-84.1	-39.8	178.4	-71.6	177	0	0	0	111.4	W125 Q126 A131 R132 K133	W125-I129 HydrophobicContact CD2-CD1 3.79Å; W125-I129 HydrophobicContact CE3-CD1 4.06Å; W125-I129 HydrophobicContact CH2-CD1 3.58Å; W125-I129 HydrophobicContact CZ2-CD1 3.27Å; W125-I129 HydrophobicContact CZ3-CD1 3.96Å; W125-I129 PolarHBondContact O-N 2.79Å; Q126-I129 PolarHBondContact O-N 3.15Å; I129-A131 VanDerWaalsContact C-N 3.29Å; I129-A131 PolarHBondContact O-N 2.79Å; I129-R132 PolarHBondContact O-N 2.82Å; I129-R132 VanDerWaalsContact O-N 3.11Å; I129-K133 PolarHBondContact O-N 3.24Å
130	V	49.9	Very low	42.2	Very low	111 Å²	111	117 Å²	117	67%	0.673	66%	0.656	S	S	*	*	H	α-helix	trans	-65.4	-36.7	176.5	179.8	0	0	0	0	110.5	Q126 R132	Q126-V130 PolarHBondContact O-N 2.79Å; V130-R132 PolarHBondContact O-N 3.44Å
131	A	47.5	Very low	42.1	Very low	66 Å²	66	120.6 Å²	120.6	55%	0.545	66%	0.659	S	S	.	*	H	α-helix	trans	-69.9	-11.6	174.1	0	0	0	0	0	114.8	K127 I129	K127-A131 WeakPolarHBondContact O-CB 3.12Å; K127-A131 PolarHBondContact O-N 3.43Å; I129-A131 VanDerWaalsContact C-N 3.29Å; I129-A131 PolarHBondContact O-N 2.79Å
132	R	46.7	Very low	41.7	Very low	206 Å²	206	119.3 Å²	119.3	78%	0.777	66%	0.657	S	S	*	*	H	α-helix	trans	-105.1	-10.6	-180	-78.7	-179.2	178.4	169.8	2.2	114.5	S128 I129 V130	S128-R132 WeakPolarHBondContact O-CG 3.38Å; I129-R132 PolarHBondContact O-N 2.82Å; I129-R132 VanDerWaalsContact O-N 3.11Å; V130-R132 PolarHBondContact O-N 3.44Å
133	K	45.8	Very low	41.3	Very low	183 Å²	183	122.1 Å²	122.1	80%	0.796	67%	0.674	S	S	*	*	H	α-helix	trans	-92.6	-6.6	176.8	-80.9	-171.9	173.2	-175	0	114.3	I129 L135	I129-K133 PolarHBondContact O-N 3.24Å; K133-L135 PolarHBondContact O-N 3.37Å
134	S	37.2	Very low	40.6	Very low	87 Å²	87	127.4 Å²	127.4	61%	0.608	69%	0.685	S	S	*	*	S	Bend	trans	-98.6	66.5	172.8	60	0	0	0	0	110.9
135	L	36.9	Very low	40.4	Very low	148 Å²	148	131.6 Å²	131.6	78%	0.775	70%	0.696	S	S	*	*			trans	-157.9	123	168.2	-98.2	138.6	0	0	0	109.7	K133	K133-L135 PolarHBondContact O-N 3.37Å
136	Q	38.9	Very low	40	Very low	183 Å²	183	131.8 Å²	131.8	86%	0.855	71%	0.711	S	S	*	*			trans	103.5	144.5	170.8	-62.2	-171.9	-8	0	0	117
137	P	37.5	Very low	39.4	Very low	118 Å²	118	133.4 Å²	133.4	77%	0.766	72%	0.723	S	S	*	*			cis	-135.6	144.2	-34.9	32.4	-14.9	0	0	0	113
138	T	29.7	Very low	38.8	Very low	139 Å²	139	130.1 Å²	130.1	85%	0.853	72%	0.72	S	S	*	*			trans	-84.5	119.7	177	47.5	0	0	0	0	112.4
139	T	33.7	Very low	38.5	Very low	143 Å²	143	136.6 Å²	136.6	88%	0.877	75%	0.745	S	S	*	*			trans	-158.1	102.7	140.1	-26.1	0	0	0	0	110.7
140	A	34.2	Very low	37.8	Very low	104 Å²	104	141.8 Å²	141.8	86%	0.86	77%	0.767	S	S	*	*			trans	-171.8	123.7	146.3	0	0	0	0	0	109.5
141	M	32.6	Very low	37.3	Very low	173 Å²	173	141.6 Å²	141.6	85%	0.852	77%	0.768	S	S	*	*			trans	-79.3	142.6	-171.4	-76.7	170	129.4	0	0	113.4
142	T	31.5	Very low	36.6	Very low	122 Å²	122	147.5 Å²	147.5	75%	0.748	79%	0.785	S	S	*	*			trans	63.4	129.5	138.4	62.3	0	0	0	0	117.8
143	M	34.2	Very low	36.2	Very low	149 Å²	149	144.2 Å²	144.2	73%	0.734	79%	0.788	S	S	*	*			cis	-166	146.3	44.7	-88	-155.7	-97.7	0	0	112.1
144	K	32	Very low	35.8	Very low	172 Å²	172	142.3 Å²	142.3	75%	0.748	79%	0.785	S	S	*	*			trans	73.4	112.4	135.6	-72.7	177.7	179.7	-178.6	0	121.2
145	D	35.8	Very low	35.9	Very low	137 Å²	137	146.6 Å²	146.6	73%	0.733	80%	0.801	S	S	*	*				157.7	100.2	121	-79.4	-17	0	0	0	108.5
146	T	37.9	Very low	36	Very low	127 Å²	127	143.7 Å²	143.7	78%	0.779	79%	0.793	S	S	*	*				64.3	130.5	106.6	54.1	0	0	0	0	113.2
147	D	36.2	Very low	35.9	Very low	153 Å²	153	140.9 Å²	140.9	82%	0.818	79%	0.788	S	S	*	*			cis	-164.7	172.2	-3.2	-138.8	9.6	0	0	0	104.8
148	P	39.3	Very low	35.9	Very low	104 Å²	104	146.8 Å²	146.8	68%	0.675	80%	0.795	S	S	*	*			trans	-116.8	169.2	-144.7	26.4	-2.8	0	0	0	114.1
149	E	39	Very low	36.6	Very low	181 Å²	181	147.8 Å²	147.8	85%	0.846	80%	0.795	S	S	*	*			trans	-169.3	140.7	147.4	-111.1	173.2	-161.7	0	0	112.5
150	H	38	Very low	37.2	Very low	171 Å²	171	148.7 Å²	148.7	79%	0.792	80%	0.795	S	S	*	*			trans	92.6	144.2	156.6	-91.9	53.9	0	0	0	121
151	P	38.2	Very low	37.7	Very low	107 Å²	107	147.5 Å²	147.5	70%	0.695	79%	0.792	S	S	*	*				-126.2	172.5	-94.6	25.1	-3.2	0	0	0	114.9
152	Q	33.4	Very low	38.5	Very low	191 Å²	191	145.4 Å²	145.4	89%	0.893	78%	0.784	S	S	*	*			trans	-42.3	129.4	179.2	-62.7	172.2	-23.7	0	0	116.3
153	T	39	Very low	39.5	Very low	137 Å²	137	145.6 Å²	145.6	84%	0.84	79%	0.786	S	S	*	*			trans	-124.8	102	147.8	47.7	0	0	0	0	109.8	D155	T153-D155 PolarHBondContact O-N 2.66Å
154	I	35.8	Very low	40.5	Very low	143 Å²	143	143.5 Å²	143.5	73%	0.733	78%	0.784	S	S	*	*			trans	-3.1	105.9	152.5	-56.3	165.5	0	0	0	115.2
155	D	40.3	Very low	42.4	Very low	176 Å²	176	144 Å²	144	94%	0.941	79%	0.794	S	S	*	*			trans	-129.6	68.3	141.9	-103.1	-20.9	0	0	0	106.8	T153	T153-D155 PolarHBondContact O-N 2.66Å
156	S	38.2	Very low	44.9	Very low	87 Å²	87	139.8 Å²	139.8	61%	0.608	78%	0.783	S	S	*	*			trans	-95.6	128.5	174	61.9	0	0	0	0	109.9
157	V	37.1	Very low	47.5	Very low	125 Å²	125	139.6 Å²	139.6	76%	0.758	77%	0.772	S	S	*	*			trans	89.1	86.6	152.9	-159.1	0	0	0	0	117.5
158	R	37.9	Very low	50.2	Low	241 Å²	241	136.9 Å²	136.9	91%	0.909	76%	0.757	S	S	*	*				-136.3	81	119.3	-79.7	-167.8	176.7	174.2	-2.2	108.4	D160	R158-D160 PolarHBondContact O-N 3.38Å
159	N	44.8	Very low	53	Low	160 Å²	160	139.1 Å²	139.1	86%	0.856	75%	0.753	S	S	*	*			trans	-69.5	114.1	161.9	-104	-13.2	0	0	0	106.8	G161	N159-G161 PolarHBondContact O-N 2.79Å
160	D	44.8	Very low	55.7	Low	163 Å²	163	136.4 Å²	136.4	87%	0.872	74%	0.744	S	S	*	*	S	Bend	trans	-63.4	84.2	172.6	-83.8	-26.4	0	0	0	109.8	R158	R158-D160 PolarHBondContact O-N 3.38Å
161	G	45	Very low	58.5	Low	78 Å²	78	135.6 Å²	135.6	80%	0.804	74%	0.739	S	S	*	*			trans	-120.1	23.3	161.2	0	0	0	0	0	111.1	N159	N159-G161 PolarHBondContact O-N 2.79Å
162	D	50.9	Low	61.3	Low	129 Å²	129	134.6 Å²	134.6	69%	0.69	72%	0.724	S	S	*	*			trans	-113	115.8	-171.3	-159	3.8	0	0	0	111.8	C164	D162-C164 PolarHBondContact O-N 3.44Å
163	T	51.6	Low	64.4	Low	126 Å²	126	130.9 Å²	130.9	77%	0.773	71%	0.705	S	S	*	*			trans	-56.1	72.6	163.6	40.4	0	0	0	0	111.2	L165	T163-L165 PolarHBondContact O-N 3Å; T163-L165 VanDerWaalsContact O-N 3.13Å
164	C	54.7	Low	67.2	Low	105 Å²	105	127 Å²	127	71%	0.709	69%	0.686	S	S	*	*			trans	-77.5	98.9	168.9	-163.4	0	0	0	0	108.7	D162 G166	D162-C164 PolarHBondContact O-N 3.44Å; C164-G166 PolarHBondContact O-N 2.9Å
165	L	72.2	Confident	70.1	Confident	183 Å²	183	122.4 Å²	122.4	96%	0.958	67%	0.667	S	S	*	*			trans	-61.6	6.1	172.8	-84.3	156.8	0	0	0	114.3	T163	T163-L165 PolarHBondContact O-N 3Å; T163-L165 VanDerWaalsContact O-N 3.13Å
166	G	87.7	Confident	72.8	Confident	48 Å²	48	117.7 Å²	117.7	50%	0.495	64%	0.639	S	S	.	*	S	Bend	trans	-90.2	156.8	179.7	0	0	0	0	0	113.7	C164 N168	C164-G166 PolarHBondContact O-N 2.9Å; G166-N168 PolarHBondContact O-N 3.05Å
167	F	93.4	Very high	75.6	Confident	123 Å²	123	116.3 Å²	116.3	54%	0.539	63%	0.627	S	S	.	*			trans	-65.4	123.6	173.3	-174.3	-93.2	0	0	0	110.8	Y169 F172	F167-Y169 AromaticContact CD1-CD1 3.71Å; F167-Y169 HydrophobicContact CD1-CD1 3.71Å; F167-Y169 HydrophobicContact CD1-CD2 4.38Å; F167-Y169 AromaticContact CD1-CE1 3.86Å; F167-Y169 HydrophobicContact CD1-CE1 3.86Å; F167-Y169 HydrophobicContact CD1-CE2 4.5Å; F167-Y169 AromaticContact CD1-CG 3.99Å; F167-Y169 HydrophobicContact CD1-CG 3.99Å; F167-Y169 HydrophobicContact CE1-CD1 4.07Å; F167-Y169 HydrophobicContact CE1-CE1 4.46Å; F167-Y169 WeakPolarHBondContact O-CD2 3.39Å; F167-Y169 WeakPolarHBondContact O-CE2 3.43Å; F167-Y169 PolarHBondContact O-N 3.34Å; F167-F172 HydrophobicContact CE1-CB 3.5Å; F167-F172 HydrophobicContact CE1-CD1 4.18Å; F167-F172 HydrophobicContact CE1-CD2 4.35Å; F167-F172 AromaticContact CE1-CG 3.76Å; F167-F172 HydrophobicContact CE1-CG 3.76Å; F167-F172 HydrophobicContact CZ-CB 3.55Å; F167-F172 HydrophobicContact CZ-CD1 4.22Å; F167-F172 AromaticContact CZ-CD2 3.64Å; F167-F172 HydrophobicContact CZ-CD2 3.64Å; F167-F172 HydrophobicContact CZ-CE2 4.4Å; F167-F172 AromaticContact CZ-CG 3.53Å; F167-F172 HydrophobicContact CZ-CG 3.53Å
168	N	94	Very high	78.4	Confident	96 Å²	96	114.2 Å²	114.2	51%	0.513	61%	0.609	S	S	.	*			trans	-80	89.9	177.1	-172.6	-28.8	0	0	0	110.8	G166 N170 K171 F172	G166-N168 PolarHBondContact O-N 3.05Å; N168-N170 PolarHBondContact O-N 2.75Å; N168-N170 PolarHBondContact OD1-N 3.5Å; N168-K171 HydrophobicContact CB-CB 4Å; N168-K171 VanDerWaalsContact CG-CB 3.49Å; N168-K171 PolarHBondContact O-N 2.86Å; N168-K171 WeakPolarHBondContact OD1-CB 3.29Å; N168-K171 PolarHBondContact OD1-N 3.3Å; N168-F172 PolarHBondContact O-N 3.34Å
169	Y	96.6	Very high	81.2	Confident	151 Å²	151	108.5 Å²	108.5	59%	0.592	59%	0.591	S	S	*	*	H	α-helix	trans	-56.1	-43.7	180	-62.6	-84	0	0	0	113.4	F167 K171 F172 F173	F167-Y169 AromaticContact CD1-CD1 3.71Å; F167-Y169 HydrophobicContact CD1-CD1 3.71Å; F167-Y169 HydrophobicContact CD1-CD2 4.38Å; F167-Y169 AromaticContact CD1-CE1 3.86Å; F167-Y169 HydrophobicContact CD1-CE1 3.86Å; F167-Y169 HydrophobicContact CD1-CE2 4.5Å; F167-Y169 AromaticContact CD1-CG 3.99Å; F167-Y169 HydrophobicContact CD1-CG 3.99Å; F167-Y169 HydrophobicContact CE1-CD1 4.07Å; F167-Y169 HydrophobicContact CE1-CE1 4.46Å; F167-Y169 WeakPolarHBondContact O-CD2 3.39Å; F167-Y169 WeakPolarHBondContact O-CE2 3.43Å; F167-Y169 PolarHBondContact O-N 3.34Å; Y169-K171 PolarHBondContact O-N 2.9Å; Y169-F172 WeakPolarHBondContact O-CB 3.26Å; Y169-F172 PolarHBondContact O-N 3.3Å; Y169-F173 HydrophobicContact CD1-CZ 4.48Å; Y169-F173 VanDerWaalsContact O-CD2 3.24Å; Y169-F173 WeakPolarHBondContact O-CD2 3.02Å; Y169-F173 WeakPolarHBondContact O-CG 3.48Å; Y169-F173 PolarHBondContact O-N 3.49Å
170	N	96.5	Very high	83.5	Confident	124 Å²	124	104.7 Å²	104.7	66%	0.663	57%	0.567	S	S	*	*	H	α-helix	trans	-64.4	-41.9	-178.8	-72.8	-24.1	0	0	0	112	N168 F172 F173 A174	N168-N170 PolarHBondContact O-N 2.75Å; N168-N170 PolarHBondContact OD1-N 3.5Å; N170-F172 VanDerWaalsContact C-N 3.32Å; N170-F173 PolarHBondContact O-N 2.92Å; N170-A174 WeakPolarHBondContact O-CB 3.17Å; N170-A174 PolarHBondContact O-N 3.04Å
171	K	96.7	Very high	85.8	Confident	154 Å²	154	101.6 Å²	101.6	67%	0.67	55%	0.546	S	S	*	.	H	α-helix	trans	-63	-41.1	174.5	-174.6	177.7	-178.9	178.3	0	111.1	N168 Y169 S175	N168-K171 HydrophobicContact CB-CB 4Å; N168-K171 VanDerWaalsContact CG-CB 3.49Å; N168-K171 PolarHBondContact O-N 2.86Å; N168-K171 WeakPolarHBondContact OD1-CB 3.29Å; N168-K171 PolarHBondContact OD1-N 3.3Å; Y169-K171 PolarHBondContact O-N 2.9Å; K171-S175 WeakPolarHBondContact O-CB 3.16Å; K171-S175 PolarHBondContact O-N 2.99Å
172	F	97.4	Very high	88.1	Confident	87 Å²	87	106.1 Å²	106.1	38%	0.382	54%	0.543	S	S	.	.	H	α-helix	trans	-62.4	-50	175.3	177.7	-102.4	0	0	0	111.9	F167 N168 Y169 N170 A174 S175 E176	F167-F172 HydrophobicContact CE1-CB 3.5Å; F167-F172 HydrophobicContact CE1-CD1 4.18Å; F167-F172 HydrophobicContact CE1-CD2 4.35Å; F167-F172 AromaticContact CE1-CG 3.76Å; F167-F172 HydrophobicContact CE1-CG 3.76Å; F167-F172 HydrophobicContact CZ-CB 3.55Å; F167-F172 HydrophobicContact CZ-CD1 4.22Å; F167-F172 AromaticContact CZ-CD2 3.64Å; F167-F172 HydrophobicContact CZ-CD2 3.64Å; F167-F172 HydrophobicContact CZ-CE2 4.4Å; F167-F172 AromaticContact CZ-CG 3.53Å; F167-F172 HydrophobicContact CZ-CG 3.53Å; N168-F172 PolarHBondContact O-N 3.34Å; Y169-F172 WeakPolarHBondContact O-CB 3.26Å; Y169-F172 PolarHBondContact O-N 3.3Å; N170-F172 VanDerWaalsContact C-N 3.32Å; F172-A174 VanDerWaalsContact C-N 3.35Å; F172-A174 PolarHBondContact O-N 3.32Å; F172-S175 WeakPolarHBondContact O-CA 3.47Å; F172-S175 WeakPolarHBondContact O-CB 3.15Å; F172-S175 PolarHBondContact O-N 3.37Å; F172-S175 PolarHBondContact O-OG 2.93Å; F172-E176 HydrophobicContact CD1-CG 4.42Å; F172-E176 HydrophobicContact CE1-CG 3.95Å; F172-E176 HydrophobicContact CE2-CG 4.21Å; F172-E176 HydrophobicContact CZ-CG 3.84Å; F172-E176 PolarHBondContact O-N 3.41Å
173	F	97.8	Very high	89.9	Confident	113 Å²	113	103.7 Å²	103.7	50%	0.496	53%	0.53	S	S	.	.	H	α-helix	trans	-58.2	-45.5	177.4	-58.4	-31.7	0	0	0	112.2	Y169 N170 S175 E176 V177	Y169-F173 HydrophobicContact CD1-CZ 4.48Å; Y169-F173 VanDerWaalsContact O-CD2 3.24Å; Y169-F173 WeakPolarHBondContact O-CD2 3.02Å; Y169-F173 WeakPolarHBondContact O-CG 3.48Å; Y169-F173 PolarHBondContact O-N 3.49Å; N170-F173 PolarHBondContact O-N 2.92Å; F173-S175 VanDerWaalsContact C-N 3.29Å; F173-S175 PolarHBondContact O-N 3.49Å; F173-E176 PolarHBondContact O-N 3.13Å; F173-V177 WeakPolarHBondContact O-CG2 3.33Å; F173-V177 PolarHBondContact O-N 2.83Å; F173-V177 VanDerWaalsContact O-N 3.08Å
174	A	96.9	Very high	91.7	Very high	54 Å²	54	99.5 Å²	99.5	45%	0.446	51%	0.506	S	S	.	.	H	α-helix	trans	-59.3	-42.8	175	0	0	0	0	0	111.1	N170 F172 E176 V177 E178	N170-A174 WeakPolarHBondContact O-CB 3.17Å; N170-A174 PolarHBondContact O-N 3.04Å; F172-A174 VanDerWaalsContact C-N 3.35Å; F172-A174 PolarHBondContact O-N 3.32Å; A174-E176 PolarHBondContact O-N 3.27Å; A174-V177 PolarHBondContact O-N 3.05Å; A174-E178 WeakPolarHBondContact O-CB 3.36Å; A174-E178 WeakPolarHBondContact O-CG 3.34Å; A174-E178 PolarHBondContact O-N 2.65Å
175	S	97.5	Very high	93.3	Very high	48 Å²	48	95 Å²	95	34%	0.336	48%	0.475	S	S	.	.	H	α-helix	trans	-63.6	-38.3	178.4	79.1	0	0	0	0	113.3	K171 F172 F173 E178 K179	K171-S175 WeakPolarHBondContact O-CB 3.16Å; K171-S175 PolarHBondContact O-N 2.99Å; F172-S175 WeakPolarHBondContact O-CA 3.47Å; F172-S175 WeakPolarHBondContact O-CB 3.15Å; F172-S175 PolarHBondContact O-N 3.37Å; F172-S175 PolarHBondContact O-OG 2.93Å; F173-S175 VanDerWaalsContact C-N 3.29Å; F173-S175 PolarHBondContact O-N 3.49Å; S175-E178 PolarHBondContact O-N 2.99Å; S175-K179 WeakPolarHBondContact O-CG 3.48Å; S175-K179 PolarHBondContact O-N 3.28Å
176	E	97.5	Very high	94.2	Very high	77 Å²	77	91.9 Å²	91.9	36%	0.36	45%	0.451	S	S	.	.	H	α-helix	trans	-66.1	-41.3	175.6	-70.3	-61.2	105.9	0	0	111.8	F172 F173 A174 K179 K180	F172-E176 HydrophobicContact CD1-CG 4.42Å; F172-E176 HydrophobicContact CE1-CG 3.95Å; F172-E176 HydrophobicContact CE2-CG 4.21Å; F172-E176 HydrophobicContact CZ-CG 3.84Å; F172-E176 PolarHBondContact O-N 3.41Å; F173-E176 PolarHBondContact O-N 3.13Å; A174-E176 PolarHBondContact O-N 3.27Å; E176-K179 WeakPolarHBondContact O-CB 3.46Å; E176-K179 PolarHBondContact O-N 3.18Å; E176-K179 WeakPolarHBondContact OE1-CE 3.29Å; E176-K179 IonicContact OE1-NZ 3.99Å; E176-K179 PolarHBondContact OE1-NZ 3.36Å; E176-K180 PolarHBondContact O-N 3.06Å
177	V	96.3	Very high	94.3	Very high	58 Å²	58	95.8 Å²	95.8	35%	0.352	45%	0.451	S	S	.	.	H	α-helix	trans	-66.3	-41.6	175.3	172.2	0	0	0	0	111.3	F173 A174 K179 K180 K181 Y186	F173-V177 WeakPolarHBondContact O-CG2 3.33Å; F173-V177 PolarHBondContact O-N 2.83Å; F173-V177 VanDerWaalsContact O-N 3.08Å; A174-V177 PolarHBondContact O-N 3.05Å; V177-K179 VanDerWaalsContact C-N 3.28Å; V177-K179 PolarHBondContact O-N 2.98Å; V177-K180 PolarHBondContact O-N 3.31Å; V177-K180 VanDerWaalsContact O-N 3.15Å; V177-K181 HydrophobicContact CG1-CD 4.49Å; V177-K181 PolarHBondContact O-N 2.87Å; V177-Y186 HydrophobicContact CG1-CD2 4.1Å; V177-Y186 HydrophobicContact CG1-CE2 3.84Å
178	E	97.1	Very high	94.2	Very high	81 Å²	81	94.3 Å²	94.3	38%	0.379	45%	0.452	S	S	.	.	H	α-helix	trans	-63.9	-32	176.9	-73.2	-53.3	127.3	0	0	112.4	A174 S175 K181 K182	A174-E178 WeakPolarHBondContact O-CB 3.36Å; A174-E178 WeakPolarHBondContact O-CG 3.34Å; A174-E178 PolarHBondContact O-N 2.65Å; S175-E178 PolarHBondContact O-N 2.99Å; E178-K181 PolarHBondContact O-N 3.49Å; E178-K181 WeakPolarHBondContact OE1-CD 3.5Å; E178-K181 IonicContact OE1-NZ 2.7Å; E178-K181 PolarHBondContact OE1-NZ 2.92Å; E178-K182 WeakPolarHBondContact O-CB 3.48Å; E178-K182 VanDerWaalsContact O-CG 3.28Å; E178-K182 WeakPolarHBondContact O-CG 3.31Å; E178-K182 PolarHBondContact O-N 3.34Å
179	K	95.6	Very high	94.2	Very high	120 Å²	120	98.1 Å²	98.1	52%	0.522	46%	0.464	S	S	.	.	H	α-helix	trans	-58.3	-48.5	170.7	-70.8	170.6	-173.7	177.1	0	111.1	S175 E176 V177 K181 K182 D183	S175-K179 WeakPolarHBondContact O-CG 3.48Å; S175-K179 PolarHBondContact O-N 3.28Å; E176-K179 WeakPolarHBondContact O-CB 3.46Å; E176-K179 PolarHBondContact O-N 3.18Å; E176-K179 WeakPolarHBondContact OE1-CE 3.29Å; E176-K179 IonicContact OE1-NZ 3.99Å; E176-K179 PolarHBondContact OE1-NZ 3.36Å; V177-K179 VanDerWaalsContact C-N 3.28Å; V177-K179 PolarHBondContact O-N 2.98Å; K179-K181 VanDerWaalsContact C-N 3.32Å; K179-K181 PolarHBondContact O-N 2.89Å; K179-K182 PolarHBondContact O-N 3.36Å; K179-D183 PolarHBondContact O-N 2.92Å
180	K	92.9	Very high	94	Very high	80 Å²	80	93 Å²	93	35%	0.348	44%	0.444	S	S	.	.	H	α-helix	trans	-65.7	-30.2	177.5	-70.6	-160.1	147.4	-67	0	114.2	E176 V177 D183 S184 T185 Y186	E176-K180 PolarHBondContact O-N 3.06Å; V177-K180 PolarHBondContact O-N 3.31Å; V177-K180 VanDerWaalsContact O-N 3.15Å; K180-D183 VanDerWaalsContact C-OD1 3.24Å; K180-D183 VanDerWaalsContact CA-OD1 3.23Å; K180-D183 WeakPolarHBondContact CA-OD1 3.28Å; K180-S184 PolarHBondContact O-N 3.38Å; K180-T185 PolarHBondContact NZ-OG1 2.95Å; K180-T185 PolarHBondContact O-N 3.47Å; K180-Y186 HydrophobicContact CB-CD2 4.47Å; K180-Y186 WeakPolarHBondContact O-CB 3.08Å; K180-Y186 PolarHBondContact O-N 3Å
181	K	93.4	Very high	93.9	Very high	99 Å²	99	93.8 Å²	93.8	43%	0.43	44%	0.438	S	S	.	.	H	α-helix	trans	-72.3	-41.3	174	-71	178.8	-173.7	166.5	0	111	V177 E178 K179 S184 Y186	V177-K181 HydrophobicContact CG1-CD 4.49Å; V177-K181 PolarHBondContact O-N 2.87Å; E178-K181 PolarHBondContact O-N 3.49Å; E178-K181 WeakPolarHBondContact OE1-CD 3.5Å; E178-K181 IonicContact OE1-NZ 2.7Å; E178-K181 PolarHBondContact OE1-NZ 2.92Å; K179-K181 VanDerWaalsContact C-N 3.32Å; K179-K181 PolarHBondContact O-N 2.89Å; K181-S184 PolarHBondContact O-N 3.34Å; K181-Y186 HydrophobicContact CG-CD1 4.41Å; K181-Y186 HydrophobicContact CG-CD2 4.27Å; K181-Y186 HydrophobicContact CG-CG 3.96Å
182	K	92.9	Very high	93.9	Very high	173 Å²	173	88.2 Å²	88.2	75%	0.752	42%	0.415	S	S	*	.	H	α-helix	trans	-65.1	-38.6	178.8	-74.7	175.8	-178.7	-176.4	0	112.6	E178 K179 S184	E178-K182 WeakPolarHBondContact O-CB 3.48Å; E178-K182 VanDerWaalsContact O-CG 3.28Å; E178-K182 WeakPolarHBondContact O-CG 3.31Å; E178-K182 PolarHBondContact O-N 3.34Å; K179-K182 PolarHBondContact O-N 3.36Å; K182-S184 VanDerWaalsContact C-N 3.28Å; K182-S184 PolarHBondContact O-N 3.34Å
183	D	89.1	Confident	93.8	Very high	77 Å²	77	89.2 Å²	89.2	41%	0.412	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	3.7	177.6	70.7	17.4	0	0	0	114	K179 K180 T185	K179-D183 PolarHBondContact O-N 2.92Å; K180-D183 VanDerWaalsContact C-OD1 3.24Å; K180-D183 VanDerWaalsContact CA-OD1 3.23Å; K180-D183 WeakPolarHBondContact CA-OD1 3.28Å; D183-T185 HydrophobicContact CB-CG2 4.46Å; D183-T185 VanDerWaalsContact CG-OG1 3.26Å; D183-T185 PolarHBondContact O-N 3.04Å; D183-T185 WeakPolarHBondContact OD1-CA 3.3Å; D183-T185 WeakPolarHBondContact OD1-CB 3.43Å; D183-T185 VanDerWaalsContact OD1-CG2 3.27Å; D183-T185 WeakPolarHBondContact OD1-CG2 3.41Å; D183-T185 PolarHBondContact OD1-N 3.37Å; D183-T185 PolarHBondContact OD1-OG1 3.48Å; D183-T185 PolarHBondContact OD2-OG1 3.3Å
184	S	89.3	Confident	93.8	Very high	38 Å²	38	89.6 Å²	89.6	27%	0.266	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	23.3	-177.6	-52.9	0	0	0	0	115	K180 K181 K182	K180-S184 PolarHBondContact O-N 3.38Å; K181-S184 PolarHBondContact O-N 3.34Å; K182-S184 VanDerWaalsContact C-N 3.28Å; K182-S184 PolarHBondContact O-N 3.34Å
185	T	88	Confident	93.7	Very high	10 Å²	10	89 Å²	89	6%	0.061	41%	0.411	C	S	.	.			trans	-101.5	0	175.4	73.8	0	0	0	0	113.9	K180 D183 R187 Y528	K180-T185 PolarHBondContact NZ-OG1 2.95Å; K180-T185 PolarHBondContact O-N 3.47Å; D183-T185 HydrophobicContact CB-CG2 4.46Å; D183-T185 VanDerWaalsContact CG-OG1 3.26Å; D183-T185 PolarHBondContact O-N 3.04Å; D183-T185 WeakPolarHBondContact OD1-CA 3.3Å; D183-T185 WeakPolarHBondContact OD1-CB 3.43Å; D183-T185 VanDerWaalsContact OD1-CG2 3.27Å; D183-T185 WeakPolarHBondContact OD1-CG2 3.41Å; D183-T185 PolarHBondContact OD1-N 3.37Å; D183-T185 PolarHBondContact OD1-OG1 3.48Å; D183-T185 PolarHBondContact OD2-OG1 3.3Å; T185-R187 PolarHBondContact O-N 3.12Å; T185-Y528 HydrophobicContact CG2-CD1 4.27Å
186	Y	91.5	Very high	93.5	Very high	118 Å²	118	89.2 Å²	89.2	46%	0.463	42%	0.415	S	S	.	.			trans	-63.9	127.9	172.2	-176.4	-98.1	0	0	0	110.5	V177 K180 K181 V188	V177-Y186 HydrophobicContact CG1-CD2 4.1Å; V177-Y186 HydrophobicContact CG1-CE2 3.84Å; K180-Y186 HydrophobicContact CB-CD2 4.47Å; K180-Y186 WeakPolarHBondContact O-CB 3.08Å; K180-Y186 PolarHBondContact O-N 3Å; K181-Y186 HydrophobicContact CG-CD1 4.41Å; K181-Y186 HydrophobicContact CG-CD2 4.27Å; K181-Y186 HydrophobicContact CG-CG 3.96Å; Y186-V188 HydrophobicContact CD1-CG2 4.09Å; Y186-V188 HydrophobicContact CE1-CG2 3.87Å
187	R	89.9	Confident	93.2	Very high	130 Å²	130	90.1 Å²	90.1	49%	0.491	43%	0.431	S	S	.	.			trans	-99.9	125.5	-172.6	-62	179.4	-180	-175.4	-7.1	110.6	T185 F189 T530	T185-R187 PolarHBondContact O-N 3.12Å; R187-F189 HydrophobicContact CB-CD1 4.44Å; R187-F189 HydrophobicContact CB-CE1 4.01Å; R187-T530 PolarHBondContact NH2-OG1 3.25Å
188	V	91.7	Very high	93.1	Very high	93 Å²	93	92.5 Å²	92.5	56%	0.564	44%	0.438	S	S	*	.			trans	-108.1	112.6	167.3	-178.5	0	0	0	0	107.5	Y186	Y186-V188 HydrophobicContact CD1-CG2 4.09Å; Y186-V188 HydrophobicContact CE1-CG2 3.87Å
189	F	93	Very high	93	Very high	175 Å²	175	89.9 Å²	89.9	77%	0.768	43%	0.425	S	S	*	.			trans	-72	135.6	-177.6	-58.8	-32.4	0	0	0	111.5	R187	R187-F189 HydrophobicContact CB-CD1 4.44Å; R187-F189 HydrophobicContact CB-CE1 4.01Å
190	R	93.2	Very high	93.1	Very high	45 Å²	45	84.4 Å²	84.4	17%	0.17	40%	0.402	C	S	.	.			trans	-73	141.9	172.7	-54.3	-56.4	177.5	-150	-14.2	109.8	I192 S206 E513 L516 Y522	R190-I192 HydrophobicContact CB-CD1 4.24Å; R190-I192 HydrophobicContact CB-CG1 3.88Å; R190-I192 PolarHBondContact O-N 3.35Å; R190-S206 WeakPolarHBondContact CA-OG 3.33Å; R190-E513 IonicContact CZ-OE1 3.96Å; R190-E513 IonicContact NH1-OE1 3.29Å; R190-E513 PolarHBondContact NH1-OE1 3.16Å; R190-E513 IonicContact NH2-OE1 2.99Å; R190-E513 PolarHBondContact NH2-OE1 3.34Å; R190-L516 HydrophobicContact CG-CD2 4.12Å; R190-Y522 HydrophobicContact CB-CE2 4.32Å; R190-Y522 HydrophobicContact CG-CE2 3.8Å
191	R	95.2	Very high	93.3	Very high	139 Å²	139	83.5 Å²	83.5	53%	0.525	40%	0.398	S	S	.	.			trans	-97.1	80.9	-175.4	-63	173.2	64.8	-162.4	2.4	109.5	Y205 S206	R191-Y205 PolarHBondContact NH1-O 3.48Å; R191-Y205 PolarHBondContact O-N 2.94Å; R191-S206 PolarHBondContact N-OG 2.9Å
192	I	95.2	Very high	93.6	Very high	38 Å²	38	78.8 Å²	78.8	20%	0.195	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.6	-171	-55.8	-61.8	0	0	0	111	R190 R194 A202 D203 D204 V213 Y522	R190-I192 HydrophobicContact CB-CD1 4.24Å; R190-I192 HydrophobicContact CB-CG1 3.88Å; R190-I192 PolarHBondContact O-N 3.35Å; I192-R194 HydrophobicContact CG2-CG 4.45Å; I192-A202 HydrophobicContact CG2-CB 3.39Å; I192-D203 WeakPolarHBondContact CA-O 3.29Å; I192-D204 HydrophobicContact CD1-CB 3.64Å; I192-D204 VanDerWaalsContact CD1-OD1 3.31Å; I192-D204 WeakPolarHBondContact CD1-OD1 3.2Å; I192-V213 HydrophobicContact CD1-CG2 4.36Å; I192-Y522 HydrophobicContact CD1-CD1 4.28Å; I192-Y522 HydrophobicContact CG1-CD1 4Å; I192-Y522 HydrophobicContact CG1-CE1 3.89Å
193	L	96.6	Very high	93.8	Very high	107 Å²	107	71.7 Å²	71.7	56%	0.56	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	106	166.3	-64	-179.8	0	0	0	109.2	A202 D203 Y205	L193-A202 CarbonylContact O-C 3.59Å; L193-A202 VanDerWaalsContact O-CA 3.28Å; L193-A202 WeakPolarHBondContact O-CA 3.43Å; L193-A202 WeakPolarHBondContact O-CB 3.39Å; L193-D203 PolarHBondContact N-O 3.45Å; L193-D203 PolarHBondContact O-N 3.44Å; L193-Y205 HydrophobicContact CD1-CE2 3.84Å; L193-Y205 HydrophobicContact CG-CE2 4.17Å
194	R	96.8	Very high	94.1	Very high	122 Å²	122	68.2 Å²	68.2	46%	0.46	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	136.3	178.3	-61.4	-173.5	-62.2	138.2	3.5	110.2	I192 A202 D220 S225	I192-R194 HydrophobicContact CG2-CG 4.45Å; R194-A202 HydrophobicContact CG-CB 4.43Å; R194-D220 IonicContact NH1-OD2 3.25Å; R194-D220 PolarHBondContact NH1-OD2 3.12Å; R194-D220 VanDerWaalsContact NH1-OD2 3.12Å; R194-S225 PolarHBondContact NH1-OG 3.46Å
195	D	95.2	Very high	94.5	Very high	41 Å²	41	69.6 Å²	69.6	22%	0.219	33%	0.329	C	S	.	.			trans	-90.6	122.2	-177.4	-166.8	-25.5	0	0	0	110.8	S197 F201 R212	D195-S197 VanDerWaalsContact C-N 3.33Å; D195-S197 WeakPolarHBondContact OD1-CB 3.47Å; D195-S197 PolarHBondContact OD1-N 3.34Å; D195-S197 PolarHBondContact OD1-OG 2.83Å; D195-F201 PolarHBondContact N-O 3.04Å; D195-R212 IonicContact OD2-CZ 3.68Å; D195-R212 VanDerWaalsContact OD2-CZ 3.22Å; D195-R212 IonicContact OD2-NH1 2.97Å; D195-R212 PolarHBondContact OD2-NH1 2.8Å; D195-R212 IonicContact OD2-NH2 2.96Å; D195-R212 PolarHBondContact OD2-NH2 3.33Å
196	A	92.9	Very high	94.6	Very high	52 Å²	52	71.1 Å²	71.1	43%	0.43	34%	0.34	S	S	.	.	S	Bend	trans	-78	-17.5	178.7	0	0	0	0	0	113.3	W226	A196-W226 HydrophobicContact CB-CB 4.28Å; A196-W226 WeakPolarHBondContact O-CB 3.27Å
197	S	92.5	Very high	94.5	Very high	97 Å²	97	68.5 Å²	68.5	68%	0.678	34%	0.339	S	S	*	.	S	Bend	trans	-88.8	-22.5	179.2	66	0	0	0	0	113.2	D195	D195-S197 VanDerWaalsContact C-N 3.33Å; D195-S197 WeakPolarHBondContact OD1-CB 3.47Å; D195-S197 PolarHBondContact OD1-N 3.34Å; D195-S197 PolarHBondContact OD1-OG 2.83Å
198	E	93.5	Very high	94.4	Very high	107 Å²	107	65.1 Å²	65.1	50%	0.5	35%	0.345	S	S	.	.	S	Bend	trans	-141	60.9	-172.6	-77.1	-174.4	-156.8	0	0	110.7	F201 R212	E198-F201 HydrophobicContact CB-CD2 4.46Å; E198-F201 VanDerWaalsContact O-CB 3.29Å; E198-F201 WeakPolarHBondContact O-CB 3.3Å; E198-F201 WeakPolarHBondContact O-CD2 3.17Å; E198-F201 PolarHBondContact O-N 2.87Å; E198-R212 IonicContact OE2-CZ 3.74Å; E198-R212 IonicContact OE2-NE 2.82Å; E198-R212 IonicContact OE2-NH2 2.71Å; E198-R212 PolarHBondContact OE2-NH2 3.26Å
199	F	94.9	Very high	94.4	Very high	27 Å²	27	67.3 Å²	67.3	12%	0.118	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	136.6	172.7	-176.5	-94	0	0	0	110.8	D220 W226 T543 H545	F199-D220 HydrophobicContact CE2-CB 4.5Å; F199-D220 WeakPolarHBondContact CZ-O 3.49Å; F199-W226 HydrophobicContact CB-CD2 4.08Å; F199-W226 HydrophobicContact CB-CG 3.89Å; F199-W226 HydrophobicContact CB-CZ2 4.42Å; F199-W226 AromaticContact CD1-CD1 3.93Å; F199-W226 HydrophobicContact CD1-CZ2 4.47Å; F199-W226 AromaticContact CD1-NE1 3.21Å; F199-W226 AromaticContact CD2-CD1 3.47Å; F199-W226 VanDerWaalsContact CD2-CD1 3.47Å; F199-W226 AromaticContact CD2-NE1 3.66Å; F199-W226 AromaticContact CE1-NE1 3.89Å; F199-W226 AromaticContact CG-CD1 3.31Å; F199-W226 HydrophobicContact CG-CG 4.31Å; F199-W226 AromaticContact CG-NE1 3.06Å; F199-T543 HydrophobicContact CE1-CG2 4.11Å; F199-T543 WeakPolarHBondContact CE1-OG1 3.46Å; F199-T543 HydrophobicContact CZ-CG2 3.96Å; F199-H545 HydrophobicContact CD1-CB 3.67Å; F199-H545 AromaticContact CD1-CD2 3.58Å; F199-H545 AromaticContact CD1-CG 3.71Å; F199-H545 HydrophobicContact CE1-CB 4Å; F199-H545 AromaticContact CE1-CD2 3.57Å
200	P	97.1	Very high	94.5	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.032	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	cis	-101.4	33.7	13.3	40	-35.7	0	0	0	114.7	V215 H546 L550	P200-V215 WeakPolarHBondContact O-CB 3.28Å; P200-V215 PolarHBondContact O-N 2.81Å; P200-H546 WeakPolarHBondContact CG-NE2 3.39Å; P200-L550 HydrophobicContact CG-CD1 4.19Å
201	F	98.3	Very high	94.6	Very high	61 Å²	61	66.8 Å²	66.8	27%	0.268	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	163	-179.7	-63.7	-85.9	0	0	0	113.6	D195 E198 R212 V213 A214 L550	D195-F201 PolarHBondContact N-O 3.04Å; E198-F201 HydrophobicContact CB-CD2 4.46Å; E198-F201 VanDerWaalsContact O-CB 3.29Å; E198-F201 WeakPolarHBondContact O-CB 3.3Å; E198-F201 WeakPolarHBondContact O-CD2 3.17Å; E198-F201 PolarHBondContact O-N 2.87Å; F201-R212 VanDerWaalsContact CB-NE 3.27Å; F201-R212 HydrophobicContact CD1-CG 4.36Å; F201-V213 CarbonylContact C-O 3.51Å; F201-V213 VanDerWaalsContact CA-O 3.3Å; F201-V213 WeakPolarHBondContact CA-O 3.38Å; F201-A214 HydrophobicContact CD1-CB 4.16Å; F201-A214 HydrophobicContact CE1-CB 4.04Å; F201-L550 HydrophobicContact CE1-CD2 4.17Å; F201-L550 HydrophobicContact CZ-CD1 4.33Å; F201-L550 HydrophobicContact CZ-CD2 3.86Å
202	A	97.9	Very high	94.6	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	161	176.4	0	0	0	0	0	112.1	I192 L193 R194 V213 V215	I192-A202 HydrophobicContact CG2-CB 3.39Å; L193-A202 CarbonylContact O-C 3.59Å; L193-A202 VanDerWaalsContact O-CA 3.28Å; L193-A202 WeakPolarHBondContact O-CA 3.43Å; L193-A202 WeakPolarHBondContact O-CB 3.39Å; R194-A202 HydrophobicContact CG-CB 4.43Å; A202-V213 HydrophobicContact CB-CG2 4.24Å; A202-V213 PolarHBondContact N-O 3.47Å; A202-V213 PolarHBondContact O-N 2.91Å; A202-V215 HydrophobicContact CB-CG2 3.55Å
203	D	97.3	Very high	94.8	Very high	23 Å²	23	62 Å²	62	12%	0.123	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	118.7	167.6	-68	-18.1	0	0	0	110.1	I192 L193 Y205 K210 R211 R212	I192-D203 WeakPolarHBondContact CA-O 3.29Å; L193-D203 PolarHBondContact N-O 3.45Å; L193-D203 PolarHBondContact O-N 3.44Å; D203-Y205 HydrophobicContact CB-CD2 4.48Å; D203-Y205 HydrophobicContact CB-CE2 3.63Å; D203-K210 HydrophobicContact CB-CD 4.45Å; D203-K210 HydrophobicContact CB-CG 4.27Å; D203-K210 VanDerWaalsContact OD1-CE 3.28Å; D203-K210 WeakPolarHBondContact OD1-CE 3.35Å; D203-K210 IonicContact OD1-NZ 3.73Å; D203-K210 WeakPolarHBondContact OD2-CE 3.45Å; D203-K210 IonicContact OD2-NZ 3.4Å; D203-K210 PolarHBondContact OD2-NZ 3.35Å; D203-R211 CarbonylContact C-O 3.48Å; D203-R211 WeakPolarHBondContact CA-O 3.26Å; D203-R212 IonicContact OD1-NH1 2.7Å; D203-R212 PolarHBondContact OD1-NH1 2.97Å
204	D	97	Very high	94.9	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	133.5	171.2	175.6	54.7	0	0	0	111.8	I192 S206 M209 K210 R211 V213 L516	I192-D204 HydrophobicContact CD1-CB 3.64Å; I192-D204 VanDerWaalsContact CD1-OD1 3.31Å; I192-D204 WeakPolarHBondContact CD1-OD1 3.2Å; D204-S206 WeakPolarHBondContact OD1-CB 3.44Å; D204-S206 PolarHBondContact OD1-N 3.48Å; D204-S206 PolarHBondContact OD1-OG 3.41Å; D204-S206 PolarHBondContact OD2-N 3.41Å; D204-M209 VanDerWaalsContact O-O 3.06Å; D204-K210 CarbonylContact O-C 3.12Å; D204-K210 WeakPolarHBondContact O-CA 3.41Å; D204-R211 HydrophobicContact CB-CB 4.47Å; D204-R211 PolarHBondContact N-O 2.99Å; D204-R211 PolarHBondContact O-N 3.35Å; D204-V213 HydrophobicContact CB-CG1 3.92Å; D204-V213 HydrophobicContact CB-CG2 4.14Å; D204-L516 HydrophobicContact CB-CD1 4.4Å
205	Y	96.4	Very high	94.9	Very high	68 Å²	68	51.7 Å²	51.7	27%	0.267	28%	0.282	S	S	.	.			trans	-120.7	14.7	175	-61.6	-94.2	0	0	0	112.2	R191 L193 D203 S207 G208 K210	R191-Y205 PolarHBondContact NH1-O 3.48Å; R191-Y205 PolarHBondContact O-N 2.94Å; L193-Y205 HydrophobicContact CD1-CE2 3.84Å; L193-Y205 HydrophobicContact CG-CE2 4.17Å; D203-Y205 HydrophobicContact CB-CD2 4.48Å; D203-Y205 HydrophobicContact CB-CE2 3.63Å; Y205-S207 VanDerWaalsContact C-N 3.29Å; Y205-S207 PolarHBondContact O-N 2.9Å; Y205-G208 PolarHBondContact O-N 3.07Å; Y205-G208 VanDerWaalsContact O-N 3.12Å; Y205-K210 HydrophobicContact CD1-CB 4.33Å; Y205-K210 HydrophobicContact CE1-CB 3.79Å; Y205-K210 HydrophobicContact CE1-CG 4.36Å
206	S	91.6	Very high	95.1	Very high	42 Å²	42	49.8 Å²	49.8	29%	0.294	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-31.8	-175.5	-58.2	0	0	0	0	112.4	R190 R191 D204 G208	R190-S206 WeakPolarHBondContact CA-OG 3.33Å; R191-S206 PolarHBondContact N-OG 2.9Å; D204-S206 WeakPolarHBondContact OD1-CB 3.44Å; D204-S206 PolarHBondContact OD1-N 3.48Å; D204-S206 PolarHBondContact OD1-OG 3.41Å; D204-S206 PolarHBondContact OD2-N 3.41Å; S206-G208 VanDerWaalsContact C-N 3.31Å
207	S	87.7	Confident	95.4	Very high	63 Å²	63	48.3 Å²	48.3	44%	0.441	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-6.6	175	67.8	0	0	0	0	114.3	Y205 M209	Y205-S207 VanDerWaalsContact C-N 3.29Å; Y205-S207 PolarHBondContact O-N 2.9Å; S207-M209 VanDerWaalsContact C-N 3.32Å; S207-M209 PolarHBondContact OG-N 2.88Å; S207-M209 PolarHBondContact OG-O 3.23Å
208	G	89.1	Confident	95.6	Very high	59 Å²	59	44.7 Å²	44.7	61%	0.608	23%	0.233	S	C	*	.	S	Bend	trans	89	-13.1	-171.2	0	0	0	0	0	114.5	Y205 S206	Y205-G208 PolarHBondContact O-N 3.07Å; Y205-G208 VanDerWaalsContact O-N 3.12Å; S206-G208 VanDerWaalsContact C-N 3.31Å
209	M	90.6	Very high	95.8	Very high	138 Å²	138	42 Å²	42	68%	0.68	22%	0.222	S	C	*	.	S	Bend	trans	-112.8	145.8	171	-65.5	177	66	0	0	110.2	D204 S207 R211	D204-M209 VanDerWaalsContact O-O 3.06Å; S207-M209 VanDerWaalsContact C-N 3.32Å; S207-M209 PolarHBondContact OG-N 2.88Å; S207-M209 PolarHBondContact OG-O 3.23Å; M209-R211 PolarHBondContact O-N 2.72Å
210	K	94.9	Very high	96	Very high	124 Å²	124	41 Å²	41	54%	0.539	22%	0.218	S	C	.	.			trans	-63.8	127.2	173.5	173.5	171.6	162.6	155.6	0	109.8	D203 D204 Y205	D203-K210 HydrophobicContact CB-CD 4.45Å; D203-K210 HydrophobicContact CB-CG 4.27Å; D203-K210 VanDerWaalsContact OD1-CE 3.28Å; D203-K210 WeakPolarHBondContact OD1-CE 3.35Å; D203-K210 IonicContact OD1-NZ 3.73Å; D203-K210 WeakPolarHBondContact OD2-CE 3.45Å; D203-K210 IonicContact OD2-NZ 3.4Å; D203-K210 PolarHBondContact OD2-NZ 3.35Å; D204-K210 CarbonylContact O-C 3.12Å; D204-K210 WeakPolarHBondContact O-CA 3.41Å; Y205-K210 HydrophobicContact CD1-CB 4.33Å; Y205-K210 HydrophobicContact CE1-CB 3.79Å; Y205-K210 HydrophobicContact CE1-CG 4.36Å
211	R	95.1	Very high	96	Very high	86 Å²	86	40.8 Å²	40.8	33%	0.325	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.6	172	-66	-178.3	178	-168	-5.7	110.2	D203 D204 M209 V213 S517	D203-R211 CarbonylContact C-O 3.48Å; D203-R211 WeakPolarHBondContact CA-O 3.26Å; D204-R211 HydrophobicContact CB-CB 4.47Å; D204-R211 PolarHBondContact N-O 2.99Å; D204-R211 PolarHBondContact O-N 3.35Å; M209-R211 PolarHBondContact O-N 2.72Å; R211-V213 HydrophobicContact CB-CG1 4.44Å; R211-S517 PolarHBondContact NH1-O 2.68Å
212	R	97.3	Very high	96	Very high	74 Å²	74	38 Å²	38	28%	0.279	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	126	175.2	-172.5	58.8	162.1	-169.7	-0.9	109.4	D195 E198 F201 D203 N520	D195-R212 IonicContact OD2-CZ 3.68Å; D195-R212 VanDerWaalsContact OD2-CZ 3.22Å; D195-R212 IonicContact OD2-NH1 2.97Å; D195-R212 PolarHBondContact OD2-NH1 2.8Å; D195-R212 IonicContact OD2-NH2 2.96Å; D195-R212 PolarHBondContact OD2-NH2 3.33Å; E198-R212 IonicContact OE2-CZ 3.74Å; E198-R212 IonicContact OE2-NE 2.82Å; E198-R212 IonicContact OE2-NH2 2.71Å; E198-R212 PolarHBondContact OE2-NH2 3.26Å; F201-R212 VanDerWaalsContact CB-NE 3.27Å; F201-R212 HydrophobicContact CD1-CG 4.36Å; D203-R212 IonicContact OD1-NH1 2.7Å; D203-R212 PolarHBondContact OD1-NH1 2.97Å; R212-N520 WeakPolarHBondContact O-CB 3.4Å
213	V	98.1	Very high	96	Very high	1 Å²	1	38 Å²	38	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.7	-176.5	-55.1	0	0	0	0	112.1	I192 F201 A202 D204 R211 L516 N520	I192-V213 HydrophobicContact CD1-CG2 4.36Å; F201-V213 CarbonylContact C-O 3.51Å; F201-V213 VanDerWaalsContact CA-O 3.3Å; F201-V213 WeakPolarHBondContact CA-O 3.38Å; A202-V213 HydrophobicContact CB-CG2 4.24Å; A202-V213 PolarHBondContact N-O 3.47Å; A202-V213 PolarHBondContact O-N 2.91Å; D204-V213 HydrophobicContact CB-CG1 3.92Å; D204-V213 HydrophobicContact CB-CG2 4.14Å; R211-V213 HydrophobicContact CB-CG1 4.44Å; V213-L516 HydrophobicContact CB-CD1 4.28Å; V213-L516 HydrophobicContact CG1-CD1 3.85Å; V213-L516 HydrophobicContact CG2-CD1 4.31Å; V213-N520 CarbonylContact C-O 3.6Å; V213-N520 WeakPolarHBondContact CA-O 3.47Å; V213-N520 WeakPolarHBondContact CB-O 3.43Å; V213-N520 HydrophobicContact CG1-CB 4.31Å
214	A	98.4	Very high	96	Very high	5 Å²	5	37 Å²	37	4%	0.041	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.5	171.5	0	0	0	0	0	110.3	F201 N520 Y522 L550	F201-A214 HydrophobicContact CD1-CB 4.16Å; F201-A214 HydrophobicContact CE1-CB 4.04Å; A214-N520 PolarHBondContact N-O 3.44Å; A214-Y522 PolarHBondContact O-N 3.14Å; A214-L550 HydrophobicContact CB-CD2 4.16Å
215	V	98.5	Very high	96	Very high	8 Å²	8	38.4 Å²	38.4	5%	0.048	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	111.5	-175.2	-177.3	0	0	0	0	111.8	P200 A202 Y522 H546	P200-V215 WeakPolarHBondContact O-CB 3.28Å; P200-V215 PolarHBondContact O-N 2.81Å; A202-V215 HydrophobicContact CB-CG2 3.55Å; V215-Y522 HydrophobicContact CG1-CD1 4Å; V215-Y522 HydrophobicContact CG2-CD1 4.28Å; V215-H546 PolarHBondContact O-CE1 2.77Å; V215-H546 PolarHBondContact O-NE2 2.88Å; V215-H546 VanDerWaalsContact O-NE2 3.11Å
216	W	98.7	Very high	95.8	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	21%	0.21	C	C	.	.	S	Bend	trans	-105.6	2.7	-176.9	-73	90.9	0	0	0	114.6	V479 Y522 V523 I540 A541 P542 H546 L550 L554	W216-V479 HydrophobicContact CH2-CG2 4.25Å; W216-V479 HydrophobicContact CZ3-CG1 4.32Å; W216-V479 HydrophobicContact CZ3-CG2 3.95Å; W216-Y522 PolarHBondContact N-O 3.48Å; W216-V523 HydrophobicContact CB-CB 4.37Å; W216-I540 HydrophobicContact CE3-CG2 3.85Å; W216-I540 HydrophobicContact CZ3-CG2 4.5Å; W216-I540 CarbonylContact O-C 3.44Å; W216-I540 WeakPolarHBondContact O-CA 3.28Å; W216-A541 PolarHBondContact O-N 3Å; W216-P542 HydrophobicContact CZ3-CB 4.37Å; W216-P542 HydrophobicContact CZ3-CG 4.44Å; W216-H546 AromaticContact CD2-CD2 3.5Å; W216-H546 AromaticContact CD2-NE2 3.6Å; W216-H546 AromaticContact CE2-CD2 3.44Å; W216-H546 VanDerWaalsContact CE2-CD2 3.44Å; W216-H546 AromaticContact CE2-NE2 3.89Å; W216-H546 AromaticContact CE3-CD2 3.47Å; W216-H546 VanDerWaalsContact CE3-CD2 3.47Å; W216-H546 AromaticContact CE3-NE2 3.73Å; W216-H546 HydrophobicContact CH2-CB 3.78Å; W216-H546 AromaticContact CH2-CD2 3.46Å; W216-H546 VanDerWaalsContact CH2-CD2 3.46Å; W216-H546 WeakPolarHBondContact CH2-CD2 3.38Å; W216-H546 AromaticContact CH2-CG 3.86Å; W216-H546 HydrophobicContact CZ2-CB 4.46Å; W216-H546 AromaticContact CZ2-CD2 3.44Å; W216-H546 VanDerWaalsContact CZ2-CD2 3.44Å; W216-H546 WeakPolarHBondContact CZ2-CD2 3.32Å; W216-H546 HydrophobicContact CZ3-CB 3.89Å; W216-H546 AromaticContact CZ3-CD2 3.46Å; W216-H546 VanDerWaalsContact CZ3-CD2 3.46Å; W216-H546 WeakPolarHBondContact CZ3-CD2 3.46Å; W216-H546 AromaticContact CZ3-CG 3.71Å; W216-L550 HydrophobicContact CH2-CB 4.48Å; W216-L550 HydrophobicContact CZ2-CB 3.89Å; W216-L550 VanDerWaalsContact CZ2-O 3.3Å; W216-L550 WeakPolarHBondContact CZ2-O 3.33Å; W216-L554 HydrophobicContact CD2-CD1 4.31Å; W216-L554 HydrophobicContact CD2-CD2 3.76Å; W216-L554 HydrophobicContact CD2-CG 4.46Å; W216-L554 HydrophobicContact CE3-CD2 3.66Å; W216-L554 HydrophobicContact CG-CD1 4.29Å; W216-L554 HydrophobicContact CG-CD2 4.49Å; W216-L554 HydrophobicContact CH2-CB 4.25Å; W216-L554 HydrophobicContact CH2-CD2 3.75Å; W216-L554 HydrophobicContact CZ2-CB 3.73Å; W216-L554 HydrophobicContact CZ2-CD2 3.86Å; W216-L554 HydrophobicContact CZ2-CG 4.31Å; W216-L554 HydrophobicContact CZ3-CD2 3.65Å
217	C	98.1	Very high	96.1	Very high	22 Å²	22	37.6 Å²	37.6	15%	0.149	20%	0.2	C	C	.	.	S	Bend	trans	-122.4	8.7	-176.2	62.2	0	0	0	0	114	Y522 Q524	C217-Y522 VanDerWaalsContact SG-CE1 3.51Å; C217-Q524 HydrophobicContact CB-CB 4.05Å
218	S	97.6	Very high	96.5	Very high	21 Å²	21	38.6 Å²	38.6	15%	0.147	21%	0.205	C	C	.	.			trans	-67.9	144.6	176.5	-176.8	0	0	0	0	111	D220 A541	S218-D220 WeakPolarHBondContact OG-CB 3.32Å; S218-D220 PolarHBondContact OG-N 2.84Å; S218-D220 VanDerWaalsContact OG-N 3.11Å; S218-A541 WeakPolarHBondContact O-CB 3.5Å
219	N	98.1	Very high	97	Very high	49 Å²	49	41.8 Å²	41.8	26%	0.262	20%	0.202	S	C	.	.	S	Bend	trans	-95.9	7	169.8	-66.3	-29.7	0	0	0	113.1	Y221 K413 R539	N219-Y221 HydrophobicContact CB-CE1 4.21Å; N219-Y221 HydrophobicContact CB-CE2 4.09Å; N219-Y221 WeakPolarHBondContact O-CD2 3.35Å; N219-Y221 PolarHBondContact O-N 3.43Å; N219-Y221 PolarHBondContact OD1-OH 3.36Å; N219-K413 HydrophobicContact CB-CB 4.26Å; N219-K413 HydrophobicContact CB-CD 4.13Å; N219-K413 HydrophobicContact CB-CG 3.77Å; N219-K413 CarbonylContact O-C 3.54Å; N219-K413 WeakPolarHBondContact O-CA 3.43Å; N219-K413 WeakPolarHBondContact O-CB 3.45Å; N219-R539 PolarHBondContact OD1-NH1 2.83Å
220	D	98.1	Very high	97.3	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.037	17%	0.172	C	C	.	.			trans	-75.4	69.6	162.9	-178.2	12.2	0	0	0	109.3	R194 F199 S218 L222 G223 M224 S225 A416	R194-D220 IonicContact NH1-OD2 3.25Å; R194-D220 PolarHBondContact NH1-OD2 3.12Å; R194-D220 VanDerWaalsContact NH1-OD2 3.12Å; F199-D220 HydrophobicContact CE2-CB 4.5Å; F199-D220 WeakPolarHBondContact CZ-O 3.49Å; S218-D220 WeakPolarHBondContact OG-CB 3.32Å; S218-D220 PolarHBondContact OG-N 2.84Å; S218-D220 VanDerWaalsContact OG-N 3.11Å; D220-L222 PolarHBondContact O-N 2.85Å; D220-G223 PolarHBondContact O-N 3.17Å; D220-G223 VanDerWaalsContact OD1-CA 3.28Å; D220-G223 WeakPolarHBondContact OD1-CA 3.47Å; D220-G223 PolarHBondContact OD1-N 3.43Å; D220-G223 VanDerWaalsContact OD1-N 3.13Å; D220-M224 PolarHBondContact OD1-N 3.46Å; D220-S225 VanDerWaalsContact OD2-CB 3.27Å; D220-S225 WeakPolarHBondContact OD2-CB 3.12Å; D220-S225 PolarHBondContact OD2-N 2.94Å; D220-S225 PolarHBondContact OD2-OG 3.26Å; D220-A416 WeakPolarHBondContact OD1-CB 3.23Å
221	Y	98.5	Very high	97.5	Very high	1 Å²	1	33 Å²	33	0%	0.004	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-26.4	-164.9	-64.4	-58.2	0	0	0	114.4	N219 H382 L386 K413 A414 H496 R539 A541 T543 P544	N219-Y221 HydrophobicContact CB-CE1 4.21Å; N219-Y221 HydrophobicContact CB-CE2 4.09Å; N219-Y221 WeakPolarHBondContact O-CD2 3.35Å; N219-Y221 PolarHBondContact O-N 3.43Å; N219-Y221 PolarHBondContact OD1-OH 3.36Å; Y221-H382 AromaticContact CE2-ND1 4Å; Y221-H382 AromaticContact CZ-ND1 3.77Å; Y221-H382 PolarHBondContact OH-CE1 2.83Å; Y221-H382 PolarHBondContact OH-ND1 2.65Å; Y221-L386 HydrophobicContact CD2-CD1 3.57Å; Y221-L386 HydrophobicContact CD2-CD2 4.37Å; Y221-L386 HydrophobicContact CD2-CG 4.42Å; Y221-L386 HydrophobicContact CE2-CD1 4.1Å; Y221-L386 HydrophobicContact CG-CD1 3.99Å; Y221-L386 HydrophobicContact CG-CD2 4.38Å; Y221-K413 HydrophobicContact CD2-CB 4.17Å; Y221-K413 HydrophobicContact CE2-CB 3.92Å; Y221-K413 HydrophobicContact CE2-CD 4.14Å; Y221-K413 HydrophobicContact CE2-CG 4.43Å; Y221-A414 HydrophobicContact CD2-CB 4.45Å; Y221-H496 AromaticContact CD1-CD2 3.64Å; Y221-H496 AromaticContact CD1-NE2 3.79Å; Y221-H496 AromaticContact CD2-NE2 4Å; Y221-H496 AromaticContact CE1-CD2 3.67Å; Y221-H496 AromaticContact CE1-NE2 3.48Å; Y221-H496 WeakPolarHBondContact CE1-NE2 3.43Å; Y221-H496 AromaticContact CE2-NE2 3.65Å; Y221-H496 AromaticContact CZ-NE2 3.38Å; Y221-R539 PolarHBondContact OH-NH2 3.19Å; Y221-A541 HydrophobicContact CD1-CB 4.22Å; Y221-A541 HydrophobicContact CE1-CB 3.88Å; Y221-T543 WeakPolarHBondContact O-CA 3.49Å; Y221-T543 WeakPolarHBondContact O-CB 3.18Å; Y221-T543 VanDerWaalsContact O-CG2 3.31Å; Y221-T543 WeakPolarHBondContact O-CG2 3.37Å; Y221-P544 VanDerWaalsContact O-CD 3.31Å; Y221-P544 WeakPolarHBondContact O-CD 3.42Å
222	L	98.3	Very high	97.6	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	2.2	-176.9	-59	-178.4	0	0	0	112.6	D220 M224 L386 L460 H472 P544	D220-L222 PolarHBondContact O-N 2.85Å; L222-M224 VanDerWaalsContact C-N 3.32Å; L222-M224 HydrophobicContact CB-CG 4.09Å; L222-L386 HydrophobicContact CD1-CD2 3.84Å; L222-L386 HydrophobicContact CD2-CD2 3.83Å; L222-L386 HydrophobicContact CG-CD2 3.63Å; L222-L460 HydrophobicContact CD1-CD1 3.77Å; L222-L460 HydrophobicContact CD1-CD2 3.49Å; L222-L460 VanDerWaalsContact CD1-CD2 3.49Å; L222-L460 HydrophobicContact CD1-CG 4.31Å; L222-H472 HydrophobicContact CD2-CB 3.79Å; L222-P544 HydrophobicContact CD2-CG 4.06Å
223	G	96.9	Very high	97.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.01	16%	0.162	C	C	.	.			trans	69.9	27.7	-176.9	0	0	0	0	0	113.4	D220 S225 W226	D220-G223 PolarHBondContact O-N 3.17Å; D220-G223 VanDerWaalsContact OD1-CA 3.28Å; D220-G223 WeakPolarHBondContact OD1-CA 3.47Å; D220-G223 PolarHBondContact OD1-N 3.43Å; D220-G223 VanDerWaalsContact OD1-N 3.13Å; G223-S225 PolarHBondContact O-N 3.42Å; G223-W226 PolarHBondContact O-N 3.07Å; G223-W226 PolarHBondContact O-NE1 2.87Å
224	M	98.1	Very high	97.7	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-70	-17.1	-177.7	-64.6	-53.6	-60.7	0	0	112.2	D220 L222 W226 H227 V230 A414 A416 S456 I459 L460 L468	D220-M224 PolarHBondContact OD1-N 3.46Å; L222-M224 VanDerWaalsContact C-N 3.32Å; L222-M224 HydrophobicContact CB-CG 4.09Å; M224-W226 PolarHBondContact O-N 2.94Å; M224-H227 HydrophobicContact CE-CB 3.86Å; M224-H227 PolarHBondContact O-N 3.3Å; M224-H227 HydrophobicContact SD-CB 4.38Å; M224-V230 HydrophobicContact CE-CG2 3.83Å; M224-A414 WeakPolarHBondContact CB-O 3.48Å; M224-A414 WeakPolarHBondContact CG-O 3.28Å; M224-A416 VanDerWaalsContact C-CB 3.46Å; M224-A416 HydrophobicContact CB-CB 3.57Å; M224-S456 WeakPolarHBondContact CB-OG 3.45Å; M224-I459 HydrophobicContact CE-CB 3.97Å; M224-I459 HydrophobicContact CE-CD1 3.88Å; M224-I459 HydrophobicContact CE-CG2 3.79Å; M224-L460 HydrophobicContact CE-CD2 4.44Å; M224-L460 HydrophobicContact CG-CD1 4.18Å; M224-L460 HydrophobicContact CG-CD2 4.17Å; M224-L460 HydrophobicContact CG-CG 4.31Å; M224-L460 HydrophobicContact SD-CD2 3.79Å; M224-L460 HydrophobicContact SD-CG 4.33Å; M224-L468 HydrophobicContact SD-CD1 4.05Å
225	S	95.8	Very high	97.7	Very high	34 Å²	34	34.7 Å²	34.7	24%	0.238	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-70	-18.8	179.1	66.6	0	0	0	0	113.6	R194 D220 G223	R194-S225 PolarHBondContact NH1-OG 3.46Å; D220-S225 VanDerWaalsContact OD2-CB 3.27Å; D220-S225 WeakPolarHBondContact OD2-CB 3.12Å; D220-S225 PolarHBondContact OD2-N 2.94Å; D220-S225 PolarHBondContact OD2-OG 3.26Å; G223-S225 PolarHBondContact O-N 3.42Å
226	W	93.5	Very high	97.7	Very high	73 Å²	73	36.5 Å²	36.5	28%	0.277	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-109.4	-1	176.8	66.9	-90.2	0	0	0	113.3	A196 F199 G223 M224 P228 H545	A196-W226 HydrophobicContact CB-CB 4.28Å; A196-W226 WeakPolarHBondContact O-CB 3.27Å; F199-W226 HydrophobicContact CB-CD2 4.08Å; F199-W226 HydrophobicContact CB-CG 3.89Å; F199-W226 HydrophobicContact CB-CZ2 4.42Å; F199-W226 AromaticContact CD1-CD1 3.93Å; F199-W226 HydrophobicContact CD1-CZ2 4.47Å; F199-W226 AromaticContact CD1-NE1 3.21Å; F199-W226 AromaticContact CD2-CD1 3.47Å; F199-W226 VanDerWaalsContact CD2-CD1 3.47Å; F199-W226 AromaticContact CD2-NE1 3.66Å; F199-W226 AromaticContact CE1-NE1 3.89Å; F199-W226 AromaticContact CG-CD1 3.31Å; F199-W226 HydrophobicContact CG-CG 4.31Å; F199-W226 AromaticContact CG-NE1 3.06Å; G223-W226 PolarHBondContact O-N 3.07Å; G223-W226 PolarHBondContact O-NE1 2.87Å; M224-W226 PolarHBondContact O-N 2.94Å; W226-P228 WeakPolarHBondContact O-CD 3.5Å; W226-H545 AromaticContact CH2-CE1 3.94Å; W226-H545 AromaticContact CZ2-CD2 3.95Å; W226-H545 AromaticContact CZ2-CE1 3.41Å; W226-H545 VanDerWaalsContact CZ2-CE1 3.41Å; W226-H545 WeakPolarHBondContact CZ2-CE1 3.31Å; W226-H545 AromaticContact CZ2-ND1 3.74Å; W226-H545 AromaticContact CZ2-NE2 3.53Å
227	H	97.2	Very high	97.7	Very high	20 Å²	20	37.1 Å²	37.1	9%	0.093	20%	0.2	C	C	.	.			trans	-60.6	124	-180	-173.2	-65.3	0	0	0	110.6	M224 K229 V230 Q231 E464	M224-H227 HydrophobicContact CE-CB 3.86Å; M224-H227 PolarHBondContact O-N 3.3Å; M224-H227 HydrophobicContact SD-CB 4.38Å; H227-K229 VanDerWaalsContact C-N 3.34Å; H227-K229 PolarHBondContact ND1-N 3.26Å; H227-K229 PolarHBondContact O-N 2.9Å; H227-V230 HydrophobicContact CB-CB 4.19Å; H227-V230 HydrophobicContact CB-CG2 3.9Å; H227-V230 WeakPolarHBondContact O-CA 3.3Å; H227-V230 WeakPolarHBondContact O-CB 3.04Å; H227-V230 PolarHBondContact O-N 3.06Å; H227-Q231 PolarHBondContact O-N 2.78Å; H227-E464 IonicContact CD2-OE1 3.23Å; H227-E464 IonicContact NE2-OE1 2.75Å; H227-E464 PolarHBondContact NE2-OE1 3.17Å; H227-E464 IonicContact NE2-OE2 2.77Å
228	P	97	Very high	97.7	Very high	84 Å²	84	39.2 Å²	39.2	55%	0.545	21%	0.21	S	C	.	.	H	α-helix	trans	-55.8	-43	-170.8	-28.7	34.4	0	0	0	114.3	W226 V230 Q231 E232	W226-P228 WeakPolarHBondContact O-CD 3.5Å; P228-V230 VanDerWaalsContact C-N 3.31Å; P228-V230 PolarHBondContact O-N 2.99Å; P228-Q231 PolarHBondContact O-N 2.65Å; P228-E232 WeakPolarHBondContact O-CB 3.49Å; P228-E232 PolarHBondContact O-N 3.08Å
229	K	98	Very high	97.8	Very high	126 Å²	126	47.5 Å²	47.5	55%	0.548	24%	0.238	S	C	.	.	H	α-helix	trans	-63.6	-32.9	176.7	-62.1	177.2	-169	155.8	0	113.2	H227 A233 I459 E464	H227-K229 VanDerWaalsContact C-N 3.34Å; H227-K229 PolarHBondContact ND1-N 3.26Å; H227-K229 PolarHBondContact O-N 2.9Å; K229-A233 WeakPolarHBondContact O-CB 3.06Å; K229-A233 PolarHBondContact O-N 3.39Å; K229-A233 VanDerWaalsContact O-N 3.1Å; K229-I459 HydrophobicContact CB-CD1 3.95Å; K229-I459 HydrophobicContact CD-CD1 4.32Å; K229-I459 HydrophobicContact CD-CG1 4.46Å; K229-E464 IonicContact NZ-OE2 3.41Å; K229-E464 PolarHBondContact NZ-OE2 2.92Å
230	V	98.4	Very high	97.8	Very high	6 Å²	6	52.9 Å²	52.9	4%	0.036	26%	0.259	C	S	.	.	H	α-helix	trans	-73	-42.8	178.2	176.4	0	0	0	0	109.9	M224 H227 P228 A233 A234 A452 A455 I459	M224-V230 HydrophobicContact CE-CG2 3.83Å; H227-V230 HydrophobicContact CB-CB 4.19Å; H227-V230 HydrophobicContact CB-CG2 3.9Å; H227-V230 WeakPolarHBondContact O-CA 3.3Å; H227-V230 WeakPolarHBondContact O-CB 3.04Å; H227-V230 PolarHBondContact O-N 3.06Å; P228-V230 VanDerWaalsContact C-N 3.31Å; P228-V230 PolarHBondContact O-N 2.99Å; V230-A233 PolarHBondContact O-N 3.33Å; V230-A234 PolarHBondContact O-N 2.86Å; V230-A234 VanDerWaalsContact O-N 3.16Å; V230-A452 HydrophobicContact CG1-CB 3.94Å; V230-A455 HydrophobicContact CG2-CB 4.48Å; V230-I459 HydrophobicContact CG2-CD1 3.76Å
231	Q	97.8	Very high	97.7	Very high	70 Å²	70	57.3 Å²	57.3	33%	0.327	28%	0.279	S	S	.	.	H	α-helix	trans	-61.9	-46.6	174.5	-67.4	-176	-20.2	0	0	111.8	H227 P228 A233 A234 I235	H227-Q231 PolarHBondContact O-N 2.78Å; P228-Q231 PolarHBondContact O-N 2.65Å; Q231-A233 VanDerWaalsContact C-N 3.32Å; Q231-A233 PolarHBondContact O-N 3.39Å; Q231-A234 WeakPolarHBondContact O-CB 3.35Å; Q231-A234 PolarHBondContact O-N 3.43Å; Q231-A234 VanDerWaalsContact O-N 3.12Å; Q231-I235 HydrophobicContact CB-CD1 4.44Å; Q231-I235 VanDerWaalsContact O-CG1 3.28Å; Q231-I235 WeakPolarHBondContact O-CG1 3.42Å; Q231-I235 PolarHBondContact O-N 3.19Å
232	E	98.3	Very high	97.7	Very high	97 Å²	97	58.8 Å²	58.8	45%	0.453	30%	0.295	S	S	.	.	H	α-helix	trans	-63	-38.8	179	-177	53.1	-145	0	0	111.8	P228 A234 I235 S236	P228-E232 WeakPolarHBondContact O-CB 3.49Å; P228-E232 PolarHBondContact O-N 3.08Å; E232-A234 VanDerWaalsContact C-N 3.3Å; E232-A234 PolarHBondContact O-N 3.32Å; E232-I235 PolarHBondContact O-N 2.92Å; E232-S236 VanDerWaalsContact O-CB 3.26Å; E232-S236 WeakPolarHBondContact O-CB 3.45Å; E232-S236 PolarHBondContact O-N 3.46Å; E232-S236 PolarHBondContact O-OG 3.32Å
233	A	98.5	Very high	97.7	Very high	20 Å²	20	63.1 Å²	63.1	17%	0.165	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-40.8	173.8	0	0	0	0	0	112.1	K229 V230 Q231 S236 T237 A455	K229-A233 WeakPolarHBondContact O-CB 3.06Å; K229-A233 PolarHBondContact O-N 3.39Å; K229-A233 VanDerWaalsContact O-N 3.1Å; V230-A233 PolarHBondContact O-N 3.33Å; Q231-A233 VanDerWaalsContact C-N 3.32Å; Q231-A233 PolarHBondContact O-N 3.39Å; A233-S236 PolarHBondContact O-OG 3.05Å; A233-T237 VanDerWaalsContact O-CB 3.29Å; A233-T237 WeakPolarHBondContact O-CB 3.36Å; A233-T237 PolarHBondContact O-N 3.27Å; A233-T237 PolarHBondContact O-OG1 3.24Å; A233-A455 HydrophobicContact CB-CB 3.76Å
234	A	98.3	Very high	97.7	Very high	18 Å²	18	65.5 Å²	65.5	15%	0.149	35%	0.345	C	S	.	.	H	α-helix	trans	-67.1	-52	174.5	0	0	0	0	0	111.8	V230 Q231 E232 T237 I238 H448 A452	V230-A234 PolarHBondContact O-N 2.86Å; V230-A234 VanDerWaalsContact O-N 3.16Å; Q231-A234 WeakPolarHBondContact O-CB 3.35Å; Q231-A234 PolarHBondContact O-N 3.43Å; Q231-A234 VanDerWaalsContact O-N 3.12Å; E232-A234 VanDerWaalsContact C-N 3.3Å; E232-A234 PolarHBondContact O-N 3.32Å; A234-T237 PolarHBondContact O-N 3.28Å; A234-I238 WeakPolarHBondContact O-CG1 3.44Å; A234-I238 PolarHBondContact O-N 3.32Å; A234-H448 HydrophobicContact CB-CB 4.43Å; A234-H448 WeakPolarHBondContact O-CB 3.46Å; A234-A452 HydrophobicContact CB-CB 4.17Å
235	I	98.4	Very high	97.6	Very high	67 Å²	67	66.4 Å²	66.4	34%	0.344	35%	0.352	S	S	.	.	H	α-helix	trans	-61.9	-48.4	-174.6	-68.8	164.9	0	0	0	111.2	Q231 E232 T237 I238 R239	Q231-I235 HydrophobicContact CB-CD1 4.44Å; Q231-I235 VanDerWaalsContact O-CG1 3.28Å; Q231-I235 WeakPolarHBondContact O-CG1 3.42Å; Q231-I235 PolarHBondContact O-N 3.19Å; E232-I235 PolarHBondContact O-N 2.92Å; I235-T237 VanDerWaalsContact C-N 3.3Å; I235-T237 PolarHBondContact O-N 3.11Å; I235-I238 PolarHBondContact O-N 3.41Å; I235-R239 VanDerWaalsContact CG2-CZ 3.46Å; I235-R239 WeakPolarHBondContact O-CG 3.3Å; I235-R239 PolarHBondContact O-N 3.37Å
236	S	98.5	Very high	97.7	Very high	47 Å²	47	68 Å²	68	33%	0.329	37%	0.374	S	S	.	.	H	α-helix	trans	-59.9	-41.2	177.1	59.2	0	0	0	0	111.7	E232 A233 R239 K240	E232-S236 VanDerWaalsContact O-CB 3.26Å; E232-S236 WeakPolarHBondContact O-CB 3.45Å; E232-S236 PolarHBondContact O-N 3.46Å; E232-S236 PolarHBondContact O-OG 3.32Å; A233-S236 PolarHBondContact O-OG 3.05Å; S236-R239 PolarHBondContact O-N 2.93Å; S236-K240 WeakPolarHBondContact O-CB 3.42Å; S236-K240 PolarHBondContact O-N 2.82Å; S236-K240 VanDerWaalsContact O-N 3.11Å
237	T	98.5	Very high	97.9	Very high	13 Å²	13	65.1 Å²	65.1	8%	0.08	37%	0.367	C	S	.	.	H	α-helix	trans	-66.5	-40.6	176.8	-59.5	0	0	0	0	111.9	A233 A234 I235 K240 H241 L257 P447 H448 A451	A233-T237 VanDerWaalsContact O-CB 3.29Å; A233-T237 WeakPolarHBondContact O-CB 3.36Å; A233-T237 PolarHBondContact O-N 3.27Å; A233-T237 PolarHBondContact O-OG1 3.24Å; A234-T237 PolarHBondContact O-N 3.28Å; I235-T237 VanDerWaalsContact C-N 3.3Å; I235-T237 PolarHBondContact O-N 3.11Å; T237-K240 PolarHBondContact O-N 3.46Å; T237-H241 HydrophobicContact CG2-CB 4.45Å; T237-H241 WeakPolarHBondContact O-CB 3.44Å; T237-H241 PolarHBondContact O-N 3.15Å; T237-L257 HydrophobicContact CG2-CD1 3.83Å; T237-P447 HydrophobicContact CG2-CB 3.82Å; T237-H448 HydrophobicContact CG2-CB 3.99Å; T237-A451 HydrophobicContact CG2-CB 4.29Å; T237-A451 VanDerWaalsContact OG1-CB 3.22Å; T237-A451 WeakPolarHBondContact OG1-CB 3.43Å
238	I	98.5	Very high	97.9	Very high	67 Å²	67	65.6 Å²	65.6	34%	0.344	37%	0.371	S	S	.	.	H	α-helix	trans	-59.4	-48.3	174.2	-70	169.5	0	0	0	110.4	A234 I235 K240 G242 V243 H448	A234-I238 WeakPolarHBondContact O-CG1 3.44Å; A234-I238 PolarHBondContact O-N 3.32Å; I235-I238 PolarHBondContact O-N 3.41Å; I238-K240 PolarHBondContact O-N 2.99Å; I238-G242 VanDerWaalsContact O-CA 3.29Å; I238-G242 WeakPolarHBondContact O-CA 3.35Å; I238-G242 PolarHBondContact O-N 2.89Å; I238-V243 HydrophobicContact CG2-CG2 4.47Å; I238-H448 HydrophobicContact CD1-CB 4.2Å; I238-H448 HydrophobicContact CG1-CB 3.51Å
239	R	98.4	Very high	98	Very high	194 Å²	194	63.3 Å²	63.3	73%	0.732	35%	0.352	S	S	*	.	H	α-helix	trans	-59.3	-34.5	179.9	-72.4	173.2	176.6	152.6	-0.5	112.4	I235 S236	I235-R239 VanDerWaalsContact CG2-CZ 3.46Å; I235-R239 WeakPolarHBondContact O-CG 3.3Å; I235-R239 PolarHBondContact O-N 3.37Å; S236-R239 PolarHBondContact O-N 2.93Å
240	K	98	Very high	97.9	Very high	163 Å²	163	63.8 Å²	63.8	71%	0.709	36%	0.36	S	S	*	.	H	α-helix	trans	-91.3	-36.4	-175.3	-170.4	176.4	173.7	-177.2	0	114.4	S236 T237 I238	S236-K240 WeakPolarHBondContact O-CB 3.42Å; S236-K240 PolarHBondContact O-N 2.82Å; S236-K240 VanDerWaalsContact O-N 3.11Å; T237-K240 PolarHBondContact O-N 3.46Å; I238-K240 PolarHBondContact O-N 2.99Å
241	H	97.6	Very high	97.8	Very high	100 Å²	100	68.7 Å²	68.7	46%	0.463	39%	0.385	S	S	.	.	H	α-helix	trans	-125.3	0	-167.2	-61.6	-61.5	0	0	0	113.7	T237 P447	T237-H241 HydrophobicContact CG2-CB 4.45Å; T237-H241 WeakPolarHBondContact O-CB 3.44Å; T237-H241 PolarHBondContact O-N 3.15Å; H241-P447 HydrophobicContact CB-CB 4.35Å
242	G	97.3	Very high	97.7	Very high	32 Å²	32	70 Å²	70	33%	0.33	40%	0.402	S	S	.	.			trans	74.4	-162.3	-177.1	0	0	0	0	0	113	I238	I238-G242 VanDerWaalsContact O-CA 3.29Å; I238-G242 WeakPolarHBondContact O-CA 3.35Å; I238-G242 PolarHBondContact O-N 2.89Å
243	V	97.8	Very high	97.7	Very high	93 Å²	93	65.5 Å²	65.5	56%	0.564	38%	0.381	S	S	*	.	S	Bend	trans	-95.2	-72.5	-170.9	-176.5	0	0	0	0	111.4	I238 P446 P447 H448	I238-V243 HydrophobicContact CG2-CG2 4.47Å; V243-P446 VanDerWaalsContact O-CB 3.28Å; V243-P446 WeakPolarHBondContact O-CB 3.2Å; V243-P447 WeakPolarHBondContact O-CD 3.48Å; V243-H448 PolarHBondContact O-ND1 3.25Å
244	G	97	Very high	97.7	Very high	51 Å²	51	67.4 Å²	67.4	53%	0.526	39%	0.389	S	S	.	.	S	Bend	trans	-78.5	151.6	-176.2	0	0	0	0	0	112.9	G246	G244-G246 PolarHBondContact O-N 3.21Å
245	S	97.1	Very high	97.6	Very high	19 Å²	19	68.2 Å²	68.2	13%	0.133	39%	0.394	C	S	.	.			trans	-69.6	-19.6	174.7	63.3	0	0	0	0	113.7	G247 S444	S245-G247 VanDerWaalsContact C-N 3.34Å; S245-G247 PolarHBondContact O-N 3.43Å; S245-G247 PolarHBondContact OG-O 2.73Å; S245-S444 WeakPolarHBondContact CB-OG 3.1Å; S245-S444 PolarHBondContact OG-O 3.1Å; S245-S444 VanDerWaalsContact OG-O 3.05Å; S245-S444 PolarHBondContact OG-OG 3.26Å
246	G	96.9	Very high	97.6	Very high	69 Å²	69	71.7 Å²	71.7	71%	0.711	41%	0.412	S	S	*	.			trans	82.4	-0.7	176.1	0	0	0	0	0	115.5	G244	G244-G246 PolarHBondContact O-N 3.21Å
247	G	97.6	Very high	97.6	Very high	12 Å²	12	71.2 Å²	71.2	12%	0.124	41%	0.406	C	S	.	.	S	Bend	trans	179.4	-172.2	176.1	0	0	0	0	0	114.9	S245 I251 T443 S444	S245-G247 VanDerWaalsContact C-N 3.34Å; S245-G247 PolarHBondContact O-N 3.43Å; S245-G247 PolarHBondContact OG-O 2.73Å; G247-I251 CarbonylContact C-O 3.55Å; G247-I251 WeakPolarHBondContact CA-O 3.17Å; G247-T443 WeakPolarHBondContact O-CA 3.24Å; G247-S444 PolarHBondContact O-N 3.38Å; G247-S444 PolarHBondContact O-OG 3.22Å
248	T	98	Very high	97.6	Very high	30 Å²	30	70.8 Å²	70.8	18%	0.184	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-75.8	166.1	175	73.4	0	0	0	0	110.3	N250 I251 G253 T442	T248-N250 PolarHBondContact O-N 3.48Å; T248-N250 VanDerWaalsContact O-N 3.14Å; T248-I251 PolarHBondContact N-O 2.9Å; T248-I251 CarbonylContact O-C 3.58Å; T248-I251 VanDerWaalsContact O-C 3.32Å; T248-I251 PolarHBondContact O-N 2.93Å; T248-I251 PolarHBondContact OG1-N 3.24Å; T248-G253 WeakPolarHBondContact O-CA 3.45Å; T248-G253 PolarHBondContact O-N 3.43Å; T248-T442 WeakPolarHBondContact CA-O 3.45Å; T248-T442 WeakPolarHBondContact CB-O 3.49Å; T248-T442 WeakPolarHBondContact CG2-O 3.25Å
249	R	98.1	Very high	97.6	Very high	36 Å²	36	72.1 Å²	72.1	14%	0.136	41%	0.408	C	S	.	.	I	π-helix	trans	-51.6	-40.1	177	-69.3	-69.7	-63.2	-87	8.4	112.3	N254 E262 F439	R249-N254 PolarHBondContact NE-OD1 3.4Å; R249-N254 PolarHBondContact NH2-OD1 3.16Å; R249-N254 WeakPolarHBondContact O-CB 3.24Å; R249-N254 PolarHBondContact O-N 3.15Å; R249-E262 IonicContact CZ-OE1 3.46Å; R249-E262 IonicContact CZ-OE2 3.81Å; R249-E262 IonicContact NH1-OE1 3.12Å; R249-E262 PolarHBondContact NH1-OE1 3.43Å; R249-E262 IonicContact NH1-OE2 2.7Å; R249-E262 IonicContact NH2-OE1 3.3Å; R249-E262 PolarHBondContact NH2-OE1 3.27Å; R249-E262 IonicContact NH2-OE2 2.9Å; R249-E262 PolarHBondContact NH2-OE2 3.01Å; R249-F439 HydrophobicContact CB-CE1 4.47Å; R249-F439 HydrophobicContact CB-CZ 4.14Å; R249-F439 HydrophobicContact CG-CE1 4.41Å; R249-F439 HydrophobicContact CG-CE2 3.99Å; R249-F439 HydrophobicContact CG-CZ 3.71Å
250	N	97.3	Very high	97.6	Very high	136 Å²	136	65.2 Å²	65.2	73%	0.727	39%	0.389	S	S	*	.	I	π-helix	trans	-78.8	-24.3	-179.9	-168.3	50	0	0	0	114	T248	T248-N250 PolarHBondContact O-N 3.48Å; T248-N250 VanDerWaalsContact O-N 3.14Å
251	I	96.6	Very high	97.6	Very high	109 Å²	109	57.5 Å²	57.5	56%	0.559	36%	0.355	S	S	*	.	I	π-helix	trans	-118.8	89.3	-174.5	-52.2	173.3	0	0	0	108.4	G247 T248 G253	G247-I251 CarbonylContact C-O 3.55Å; G247-I251 WeakPolarHBondContact CA-O 3.17Å; T248-I251 PolarHBondContact N-O 2.9Å; T248-I251 CarbonylContact O-C 3.58Å; T248-I251 VanDerWaalsContact O-C 3.32Å; T248-I251 PolarHBondContact O-N 2.93Å; T248-I251 PolarHBondContact OG1-N 3.24Å; I251-G253 PolarHBondContact O-N 2.93Å
252	S	96	Very high	97.7	Very high	97 Å²	97	53.9 Å²	53.9	68%	0.678	34%	0.339	S	S	*	.	I	π-helix	trans	56.2	-0.7	176.9	52.9	0	0	0	0	117.8
253	G	97.7	Very high	97.8	Very high	2 Å²	2	55.1 Å²	55.1	2%	0.021	35%	0.346	C	S	.	.	I	π-helix	trans	-92.4	-7.1	-179.9	0	0	0	0	0	115.2	T248 I251 H258 S444	T248-G253 WeakPolarHBondContact O-CA 3.45Å; T248-G253 PolarHBondContact O-N 3.43Å; I251-G253 PolarHBondContact O-N 2.93Å; G253-H258 PolarHBondContact O-CE1 3.41Å; G253-S444 WeakPolarHBondContact CA-OG 3.29Å; G253-S444 WeakPolarHBondContact O-CB 3.41Å; G253-S444 PolarHBondContact O-OG 2.79Å
254	N	98	Very high	97.8	Very high	60 Å²	60	52 Å²	52	32%	0.321	33%	0.325	S	S	.	.			trans	-86.2	121.6	172.1	-173.1	71.9	0	0	0	110.4	R249 E259	R249-N254 PolarHBondContact NE-OD1 3.4Å; R249-N254 PolarHBondContact NH2-OD1 3.16Å; R249-N254 WeakPolarHBondContact O-CB 3.24Å; R249-N254 PolarHBondContact O-N 3.15Å; N254-E259 PolarHBondContact ND2-OE1 2.61Å
255	S	97.4	Very high	97.9	Very high	36 Å²	36	49.6 Å²	49.6	25%	0.252	30%	0.3	S	S	.	.			trans	-122.2	163.7	176.8	69.7	0	0	0	0	110.5	L257 H258 E259	S255-L257 PolarHBondContact O-N 2.93Å; S255-L257 VanDerWaalsContact O-N 3.07Å; S255-L257 PolarHBondContact OG-N 3.2Å; S255-H258 PolarHBondContact N-ND1 3.36Å; S255-H258 WeakPolarHBondContact O-CB 3.38Å; S255-H258 PolarHBondContact O-N 2.97Å; S255-H258 PolarHBondContact OG-ND1 3.01Å; S255-E259 PolarHBondContact O-N 3.01Å
256	L	97.5	Very high	98	Very high	139 Å²	139	49.4 Å²	49.4	73%	0.728	30%	0.299	S	S	*	.	H	α-helix	trans	-57.2	-24.4	174.8	-66	176.6	0	0	0	112.9	H258 E259 S260	L256-H258 VanDerWaalsContact C-N 3.31Å; L256-E259 PolarHBondContact O-N 2.99Å; L256-S260 VanDerWaalsContact O-CB 3.26Å; L256-S260 WeakPolarHBondContact O-CB 3.47Å; L256-S260 PolarHBondContact O-N 3.27Å
257	L	98.3	Very high	98.1	Very high	38 Å²	38	51.3 Å²	51.3	20%	0.199	29%	0.293	C	S	.	.	H	α-helix	trans	-68.9	-29.5	175.1	-62.6	167.8	0	0	0	112.5	T237 S255 L261 P447 L450 A451	T237-L257 HydrophobicContact CG2-CD1 3.83Å; S255-L257 PolarHBondContact O-N 2.93Å; S255-L257 VanDerWaalsContact O-N 3.07Å; S255-L257 PolarHBondContact OG-N 3.2Å; L257-L261 WeakPolarHBondContact O-CB 3.47Å; L257-L261 PolarHBondContact O-N 2.76Å; L257-L261 VanDerWaalsContact O-N 3.15Å; L257-P447 HydrophobicContact CD1-CB 3.76Å; L257-L450 HydrophobicContact CB-CB 4.15Å; L257-L450 HydrophobicContact CB-CD1 4.12Å; L257-A451 HydrophobicContact CD2-CB 4.43Å
258	H	98.7	Very high	98.1	Very high	3 Å²	3	51.1 Å²	51.1	1%	0.014	29%	0.289	C	S	.	.	H	α-helix	trans	-68.4	-52.3	173	-68.2	79.6	0	0	0	110.2	G253 S255 L256 S260 L261 E262 S444 L450	G253-H258 PolarHBondContact O-CE1 3.41Å; S255-H258 PolarHBondContact N-ND1 3.36Å; S255-H258 WeakPolarHBondContact O-CB 3.38Å; S255-H258 PolarHBondContact O-N 2.97Å; S255-H258 PolarHBondContact OG-ND1 3.01Å; L256-H258 VanDerWaalsContact C-N 3.31Å; H258-S260 VanDerWaalsContact C-N 3.31Å; H258-S260 PolarHBondContact O-N 2.94Å; H258-L261 PolarHBondContact O-N 2.8Å; H258-E262 WeakPolarHBondContact O-CB 3.35Å; H258-E262 WeakPolarHBondContact O-CG 3.42Å; H258-E262 PolarHBondContact O-N 3.24Å; H258-S444 WeakPolarHBondContact NE2-CB 3.43Å; H258-S444 PolarHBondContact NE2-OG 3.36Å; H258-L450 HydrophobicContact CB-CD1 4.43Å; H258-L450 WeakPolarHBondContact CE1-CD1 3.29Å; H258-L450 VanDerWaalsContact ND1-CD1 3.32Å; H258-L450 WeakPolarHBondContact ND1-CD1 3.22Å; H258-L450 WeakPolarHBondContact NE2-CD1 3.33Å
259	E	98.2	Very high	98.1	Very high	96 Å²	96	49.8 Å²	49.8	45%	0.449	28%	0.28	S	S	.	.	H	α-helix	trans	-62	-40.3	-178.5	-66.5	173.5	-158.4	0	0	111.3	N254 S255 L256 E262 A263	N254-E259 PolarHBondContact ND2-OE1 2.61Å; S255-E259 PolarHBondContact O-N 3.01Å; L256-E259 PolarHBondContact O-N 2.99Å; E259-E262 PolarHBondContact O-N 2.88Å; E259-A263 WeakPolarHBondContact O-CB 3.28Å; E259-A263 PolarHBondContact O-N 2.98Å
260	S	98.5	Very high	98.1	Very high	49 Å²	49	50.9 Å²	50.9	34%	0.343	30%	0.303	S	S	.	.	H	α-helix	trans	-66.9	-38.4	177.3	-168.6	0	0	0	0	112.8	L256 H258 E264 Q454	L256-S260 VanDerWaalsContact O-CB 3.26Å; L256-S260 WeakPolarHBondContact O-CB 3.47Å; L256-S260 PolarHBondContact O-N 3.27Å; H258-S260 VanDerWaalsContact C-N 3.31Å; H258-S260 PolarHBondContact O-N 2.94Å; S260-E264 WeakPolarHBondContact O-CB 3.46Å; S260-E264 PolarHBondContact O-N 2.99Å; S260-Q454 PolarHBondContact OG-NE2 3.49Å; S260-Q454 PolarHBondContact OG-OE1 3.33Å
261	L	98.8	Very high	98.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-70.4	-40.3	175.4	178.4	61.8	0	0	0	111.4	L257 H258 A263 E264 L265 V276 L411 L450 A453 Q454 I457	L257-L261 WeakPolarHBondContact O-CB 3.47Å; L257-L261 PolarHBondContact O-N 2.76Å; L257-L261 VanDerWaalsContact O-N 3.15Å; H258-L261 PolarHBondContact O-N 2.8Å; L261-A263 VanDerWaalsContact C-N 3.32Å; L261-A263 PolarHBondContact O-N 3.48Å; L261-E264 PolarHBondContact O-N 2.96Å; L261-L265 HydrophobicContact CD1-CD1 4.3Å; L261-L265 HydrophobicContact CD1-CG 4.29Å; L261-L265 HydrophobicContact CG-CD1 4.04Å; L261-L265 HydrophobicContact CG-CG 4.49Å; L261-L265 WeakPolarHBondContact O-CB 3.31Å; L261-L265 VanDerWaalsContact O-CG 3.28Å; L261-L265 WeakPolarHBondContact O-CG 3.36Å; L261-L265 PolarHBondContact O-N 2.87Å; L261-V276 HydrophobicContact CD2-CG2 4.04Å; L261-V276 HydrophobicContact CG-CG2 4.17Å; L261-L411 HydrophobicContact CD2-CD1 3.79Å; L261-L450 HydrophobicContact CD2-CB 4.23Å; L261-L450 HydrophobicContact CD2-CD2 3.58Å; L261-A453 HydrophobicContact CD1-CB 4.19Å; L261-A453 HydrophobicContact CD2-CB 4.1Å; L261-Q454 HydrophobicContact CD1-CB 4.05Å; L261-I457 HydrophobicContact CD1-CD1 3.65Å
262	E	98.9	Very high	98.3	Very high	24 Å²	24	44.8 Å²	44.8	11%	0.112	28%	0.275	C	S	.	.	H	α-helix	trans	-59.8	-42.8	174.2	-75.3	171.5	164.5	0	0	110.9	R249 H258 E259 L265 S266 A274 V276	R249-E262 IonicContact CZ-OE1 3.46Å; R249-E262 IonicContact CZ-OE2 3.81Å; R249-E262 IonicContact NH1-OE1 3.12Å; R249-E262 PolarHBondContact NH1-OE1 3.43Å; R249-E262 IonicContact NH1-OE2 2.7Å; R249-E262 IonicContact NH2-OE1 3.3Å; R249-E262 PolarHBondContact NH2-OE1 3.27Å; R249-E262 IonicContact NH2-OE2 2.9Å; R249-E262 PolarHBondContact NH2-OE2 3.01Å; H258-E262 WeakPolarHBondContact O-CB 3.35Å; H258-E262 WeakPolarHBondContact O-CG 3.42Å; H258-E262 PolarHBondContact O-N 3.24Å; E259-E262 PolarHBondContact O-N 2.88Å; E262-L265 PolarHBondContact O-N 3.2Å; E262-S266 WeakPolarHBondContact O-CB 3.25Å; E262-S266 PolarHBondContact O-N 2.75Å; E262-A274 WeakPolarHBondContact O-CB 3.49Å; E262-V276 HydrophobicContact CG-CB 4.27Å; E262-V276 HydrophobicContact CG-CG2 3.69Å; E262-V276 PolarHBondContact OE1-N 2.96Å
263	A	98.8	Very high	98.4	Very high	59 Å²	59	41.1 Å²	41.1	49%	0.488	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-44.2	173.8	0	0	0	0	0	112.7	E259 L261 L265 S266 D267	E259-A263 WeakPolarHBondContact O-CB 3.28Å; E259-A263 PolarHBondContact O-N 2.98Å; L261-A263 VanDerWaalsContact C-N 3.32Å; L261-A263 PolarHBondContact O-N 3.48Å; A263-L265 VanDerWaalsContact C-N 3.32Å; A263-L265 PolarHBondContact O-N 3.21Å; A263-S266 VanDerWaalsContact O-CB 3.31Å; A263-S266 WeakPolarHBondContact O-CB 3.43Å; A263-S266 PolarHBondContact O-N 2.82Å; A263-D267 WeakPolarHBondContact O-CB 3.44Å; A263-D267 PolarHBondContact O-N 3.39Å
264	E	98.7	Very high	98.5	Very high	28 Å²	28	41.4 Å²	41.4	13%	0.131	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-38.8	177.7	-170.5	74.2	-134.5	0	0	112	S260 L261 L268 Q454 I457 Q458 K461	S260-E264 WeakPolarHBondContact O-CB 3.46Å; S260-E264 PolarHBondContact O-N 2.99Å; L261-E264 PolarHBondContact O-N 2.96Å; E264-L268 WeakPolarHBondContact O-CB 3.08Å; E264-L268 PolarHBondContact O-N 2.93Å; E264-Q454 HydrophobicContact CB-CG 4.43Å; E264-Q454 HydrophobicContact CG-CG 4.32Å; E264-I457 HydrophobicContact CG-CB 4.29Å; E264-I457 HydrophobicContact CG-CG2 3.7Å; E264-Q458 HydrophobicContact CG-CG 4.44Å; E264-Q458 PolarHBondContact OE2-NE2 3.48Å; E264-K461 WeakPolarHBondContact OE1-CD 3.25Å; E264-K461 IonicContact OE1-NZ 3.44Å; E264-K461 PolarHBondContact OE1-NZ 3.48Å
265	L	98.8	Very high	98.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-69.7	-39.3	175	-72	167.1	0	0	0	112	L261 E262 A263 D267 L268 H269 A274 V276 L411 Y421 I457	L261-L265 HydrophobicContact CD1-CD1 4.3Å; L261-L265 HydrophobicContact CD1-CG 4.29Å; L261-L265 HydrophobicContact CG-CD1 4.04Å; L261-L265 HydrophobicContact CG-CG 4.49Å; L261-L265 WeakPolarHBondContact O-CB 3.31Å; L261-L265 VanDerWaalsContact O-CG 3.28Å; L261-L265 WeakPolarHBondContact O-CG 3.36Å; L261-L265 PolarHBondContact O-N 2.87Å; E262-L265 PolarHBondContact O-N 3.2Å; A263-L265 VanDerWaalsContact C-N 3.32Å; A263-L265 PolarHBondContact O-N 3.21Å; L265-D267 VanDerWaalsContact C-N 3.33Å; L265-L268 PolarHBondContact O-N 3.47Å; L265-H269 PolarHBondContact O-CD2 2.79Å; L265-H269 VanDerWaalsContact O-CD2 3.3Å; L265-H269 PolarHBondContact O-N 2.86Å; L265-A274 HydrophobicContact CB-CB 3.78Å; L265-V276 HydrophobicContact CD1-CG2 3.73Å; L265-L411 HydrophobicContact CD2-CD2 4.33Å; L265-Y421 HydrophobicContact CD1-CD1 3.84Å; L265-Y421 HydrophobicContact CD1-CD2 4.3Å; L265-Y421 HydrophobicContact CD1-CG 3.69Å; L265-Y421 HydrophobicContact CD2-CD1 3.67Å; L265-Y421 HydrophobicContact CD2-CD2 4.18Å; L265-Y421 HydrophobicContact CD2-CE1 3.54Å; L265-Y421 HydrophobicContact CD2-CE2 4.09Å; L265-Y421 HydrophobicContact CD2-CG 4Å; L265-Y421 HydrophobicContact CG-CD1 4.4Å; L265-Y421 HydrophobicContact CG-CG 4.39Å; L265-I457 HydrophobicContact CD2-CD1 3.69Å; L265-I457 HydrophobicContact CG-CD1 4.21Å
266	S	98.7	Very high	98.6	Very high	15 Å²	15	37.2 Å²	37.2	11%	0.105	23%	0.228	C	C	.	.	H	α-helix	trans	-57.8	-48.1	173.7	-152.7	0	0	0	0	110.9	E262 A263 H269 G270 K271 P272 A273	E262-S266 WeakPolarHBondContact O-CB 3.25Å; E262-S266 PolarHBondContact O-N 2.75Å; A263-S266 VanDerWaalsContact O-CB 3.31Å; A263-S266 WeakPolarHBondContact O-CB 3.43Å; A263-S266 PolarHBondContact O-N 2.82Å; S266-H269 PolarHBondContact O-N 2.88Å; S266-G270 PolarHBondContact O-N 3.05Å; S266-G270 VanDerWaalsContact O-N 3.1Å; S266-K271 PolarHBondContact O-N 3.12Å; S266-K271 PolarHBondContact OG-O 3.48Å; S266-P272 VanDerWaalsContact OG-C 3.23Å; S266-P272 PolarHBondContact OG-O 3.4Å; S266-A273 VanDerWaalsContact OG-CA 3.25Å; S266-A273 WeakPolarHBondContact OG-CA 3.35Å; S266-A273 PolarHBondContact OG-N 3.06Å; S266-A273 VanDerWaalsContact OG-N 3.16Å
267	D	98.6	Very high	98.7	Very high	108 Å²	108	31 Å²	31	58%	0.578	20%	0.195	S	C	*	.	H	α-helix	trans	-64	-46.1	177.3	-178.2	72.4	0	0	0	111.8	A263 L265 H269 G270 K461	A263-D267 WeakPolarHBondContact O-CB 3.44Å; A263-D267 PolarHBondContact O-N 3.39Å; L265-D267 VanDerWaalsContact C-N 3.33Å; D267-H269 VanDerWaalsContact C-N 3.27Å; D267-H269 PolarHBondContact O-N 2.94Å; D267-G270 PolarHBondContact O-N 3.04Å; D267-G270 VanDerWaalsContact O-N 3.14Å; D267-K461 IonicContact OD2-NZ 2.71Å; D267-K461 PolarHBondContact OD2-NZ 3.46Å
268	L	98.7	Very high	98.7	Very high	9 Å²	9	31 Å²	31	5%	0.047	20%	0.197	C	C	.	.	H	α-helix	trans	-53.5	-43.7	177.9	178.1	66.8	0	0	0	112.3	E264 L265 A392 F415 I457 K461	E264-L268 WeakPolarHBondContact O-CB 3.08Å; E264-L268 PolarHBondContact O-N 2.93Å; L265-L268 PolarHBondContact O-N 3.47Å; L268-A392 HydrophobicContact CD1-CB 3.73Å; L268-A392 HydrophobicContact CG-CB 3.84Å; L268-A392 WeakPolarHBondContact O-CB 3.39Å; L268-F415 HydrophobicContact CD2-CE2 4.5Å; L268-F415 HydrophobicContact CD2-CZ 3.88Å; L268-I457 HydrophobicContact CD2-CG2 4.23Å; L268-K461 HydrophobicContact CD1-CD 3.98Å; L268-K461 HydrophobicContact CD1-CG 3.77Å
269	H	98.7	Very high	98.7	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-1.8	-176.2	-72.4	-72.8	0	0	0	114.1	L265 S266 D267 K271 A392 I407 Y421 A423	L265-H269 PolarHBondContact O-CD2 2.79Å; L265-H269 VanDerWaalsContact O-CD2 3.3Å; L265-H269 PolarHBondContact O-N 2.86Å; S266-H269 PolarHBondContact O-N 2.88Å; D267-H269 VanDerWaalsContact C-N 3.27Å; D267-H269 PolarHBondContact O-N 2.94Å; H269-K271 HydrophobicContact CB-CG 3.96Å; H269-K271 PolarHBondContact O-N 3.2Å; H269-A392 PolarHBondContact CE1-O 3.23Å; H269-I407 HydrophobicContact CB-CD1 4.16Å; H269-Y421 AromaticContact CD2-CE2 3.79Å; H269-Y421 AromaticContact NE2-CE2 3.46Å; H269-Y421 WeakPolarHBondContact NE2-CE2 3.35Å; H269-Y421 AromaticContact NE2-CZ 3.54Å; H269-Y421 PolarHBondContact NE2-OH 2.89Å; H269-A423 HydrophobicContact CB-CB 4.05Å
270	G	98.2	Very high	98.7	Very high	60 Å²	60	28.5 Å²	28.5	62%	0.619	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	38.1	-172.9	0	0	0	0	0	112.5	S266 D267	S266-G270 PolarHBondContact O-N 3.05Å; S266-G270 VanDerWaalsContact O-N 3.1Å; D267-G270 PolarHBondContact O-N 3.04Å; D267-G270 VanDerWaalsContact O-N 3.14Å
271	K	98.6	Very high	98.7	Very high	26 Å²	26	30.8 Å²	30.8	11%	0.113	19%	0.192	C	C	.	.			trans	-109.3	152.8	179.4	-65.5	-62.6	168.7	-169.5	0	111.2	S266 H269 A273 M401 I404 A423	S266-K271 PolarHBondContact O-N 3.12Å; S266-K271 PolarHBondContact OG-O 3.48Å; H269-K271 HydrophobicContact CB-CG 3.96Å; H269-K271 PolarHBondContact O-N 3.2Å; K271-A273 VanDerWaalsContact C-N 3.3Å; K271-A273 PolarHBondContact O-N 3.23Å; K271-M401 WeakPolarHBondContact CE-O 3.4Å; K271-M401 PolarHBondContact NZ-O 3.06Å; K271-I404 VanDerWaalsContact CE-O 3.25Å; K271-I404 WeakPolarHBondContact CE-O 3.4Å; K271-I404 PolarHBondContact NZ-O 3.18Å; K271-A423 HydrophobicContact CB-CB 4.22Å; K271-A423 HydrophobicContact CG-CB 4.15Å
272	P	98.4	Very high	98.7	Very high	90 Å²	90	32.1 Å²	32.1	58%	0.584	20%	0.2	S	C	*	.	S	Bend	trans	-63	-30.2	177.7	-27.2	35.4	0	0	0	115.2	S266 G424 S426	S266-P272 VanDerWaalsContact OG-C 3.23Å; S266-P272 PolarHBondContact OG-O 3.4Å; P272-G424 WeakPolarHBondContact CD-O 3.39Å; P272-S426 WeakPolarHBondContact CB-OG 3.19Å
273	A	98.8	Very high	98.7	Very high	20 Å²	20	31 Å²	31	17%	0.165	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	158.7	179.6	0	0	0	0	0	112.5	S266 K271 A423 G424 V429	S266-A273 VanDerWaalsContact OG-CA 3.25Å; S266-A273 WeakPolarHBondContact OG-CA 3.35Å; S266-A273 PolarHBondContact OG-N 3.06Å; S266-A273 VanDerWaalsContact OG-N 3.16Å; K271-A273 VanDerWaalsContact C-N 3.3Å; K271-A273 PolarHBondContact O-N 3.23Å; A273-A423 WeakPolarHBondContact O-CA 3.47Å; A273-G424 PolarHBondContact N-O 3.02Å; A273-G424 PolarHBondContact O-N 2.87Å; A273-V429 HydrophobicContact CB-CB 3.82Å; A273-V429 HydrophobicContact CB-CG1 3.87Å; A273-V429 HydrophobicContact CB-CG2 3.89Å
274	A	98.9	Very high	98.7	Very high	8 Å²	8	28.2 Å²	28.2	7%	0.066	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	161.5	166.3	0	0	0	0	0	111.7	E262 L265 L422 A423	E262-A274 WeakPolarHBondContact O-CB 3.49Å; L265-A274 HydrophobicContact CB-CB 3.78Å; A274-L422 CarbonylContact C-O 3.51Å; A274-L422 WeakPolarHBondContact CA-O 3.35Å; A274-L422 WeakPolarHBondContact CB-O 3.43Å; A274-A423 HydrophobicContact CB-CB 4.13Å
275	L	98.9	Very high	98.7	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	126.4	-178.2	-168.5	69.1	0	0	0	110.9	F277 Y421 L422 V429 I432 R433 F439	L275-F277 HydrophobicContact CB-CE2 4.17Å; L275-F277 HydrophobicContact CD2-CE2 3.89Å; L275-F277 HydrophobicContact CD2-CZ 3.76Å; L275-F277 HydrophobicContact CG-CE2 4.07Å; L275-F277 HydrophobicContact CG-CZ 4.4Å; L275-F277 WeakPolarHBondContact O-CD2 3.34Å; L275-Y421 CarbonylContact O-C 3.32Å; L275-Y421 WeakPolarHBondContact O-CA 3.48Å; L275-Y421 WeakPolarHBondContact O-CB 3.4Å; L275-L422 PolarHBondContact N-O 3.28Å; L275-L422 PolarHBondContact O-N 3.43Å; L275-V429 HydrophobicContact CB-CG1 3.96Å; L275-I432 HydrophobicContact CD2-CB 4.45Å; L275-I432 HydrophobicContact CD2-CG2 3.84Å; L275-R433 HydrophobicContact CD1-CB 4.01Å; L275-R433 HydrophobicContact CD1-CG 3.91Å; L275-R433 HydrophobicContact CD2-CB 3.9Å; L275-F439 HydrophobicContact CD1-CD2 4.34Å; L275-F439 HydrophobicContact CD1-CE1 4.44Å; L275-F439 HydrophobicContact CD1-CE2 3.55Å; L275-F439 HydrophobicContact CD1-CZ 3.62Å; L275-F439 HydrophobicContact CD2-CD2 4Å; L275-F439 HydrophobicContact CD2-CE2 4.04Å; L275-F439 HydrophobicContact CD2-CG 4.33Å; L275-F439 HydrophobicContact CD2-CZ 4.43Å; L275-F439 HydrophobicContact CG-CD2 4.08Å; L275-F439 HydrophobicContact CG-CE2 3.74Å; L275-F439 HydrophobicContact CG-CZ 4.26Å
276	V	98.8	Very high	98.7	Very high	6 Å²	6	29.9 Å²	29.9	4%	0.036	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	136	-177.9	173.8	0	0	0	0	112.1	L261 E262 L265 F439 L445 L450	L261-V276 HydrophobicContact CD2-CG2 4.04Å; L261-V276 HydrophobicContact CG-CG2 4.17Å; E262-V276 HydrophobicContact CG-CB 4.27Å; E262-V276 HydrophobicContact CG-CG2 3.69Å; E262-V276 PolarHBondContact OE1-N 2.96Å; L265-V276 HydrophobicContact CD1-CG2 3.73Å; V276-F439 WeakPolarHBondContact O-CE2 3.48Å; V276-L445 HydrophobicContact CG1-CD1 3.67Å; V276-L450 HydrophobicContact CG1-CD2 4.2Å
277	F	98.8	Very high	98.7	Very high	7 Å²	7	29.1 Å²	29.1	3%	0.031	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	166.9	177.7	-63.8	-101.7	0	0	0	111.1	L275 S279 V282 A283 A286 V287 G419 G420 L422 I432 F439	L275-F277 HydrophobicContact CB-CE2 4.17Å; L275-F277 HydrophobicContact CD2-CE2 3.89Å; L275-F277 HydrophobicContact CD2-CZ 3.76Å; L275-F277 HydrophobicContact CG-CE2 4.07Å; L275-F277 HydrophobicContact CG-CZ 4.4Å; L275-F277 WeakPolarHBondContact O-CD2 3.34Å; F277-S279 VanDerWaalsContact C-N 3.25Å; F277-S279 PolarHBondContact O-N 3.11Å; F277-V282 HydrophobicContact CD1-CG1 4.05Å; F277-A283 HydrophobicContact CB-CB 4.09Å; F277-A283 HydrophobicContact CD2-CB 3.63Å; F277-A283 HydrophobicContact CE2-CB 4.13Å; F277-A283 HydrophobicContact CG-CB 3.85Å; F277-A286 HydrophobicContact CE1-CB 4.04Å; F277-V287 HydrophobicContact CZ-CG2 4.11Å; F277-G419 WeakPolarHBondContact O-CA 3.43Å; F277-G420 PolarHBondContact N-O 2.88Å; F277-G420 PolarHBondContact O-N 3.4Å; F277-L422 HydrophobicContact CE2-CB 4.12Å; F277-I432 HydrophobicContact CZ-CG2 3.7Å; F277-F439 HydrophobicContact CD1-CB 4.1Å; F277-F439 HydrophobicContact CD1-CD2 4.29Å; F277-F439 HydrophobicContact CE1-CB 3.7Å; F277-F439 HydrophobicContact CE1-CD2 4.25Å; F277-F439 HydrophobicContact CE1-CG 4.39Å; F277-F439 HydrophobicContact CZ-CB 4.5Å
278	T	98.4	Very high	98.7	Very high	40 Å²	40	24 Å²	24	25%	0.245	15%	0.148	C	C	.	.	S	Bend	trans	-65.1	-24.6	179.8	54.8	0	0	0	0	114.3	G419 T442	T278-G419 WeakPolarHBondContact O-CA 3.49Å; T278-T442 HydrophobicContact CG2-CG2 3.98Å
279	S	98.7	Very high	98.7	Very high	39 Å²	39	26.4 Å²	26.4	27%	0.273	16%	0.159	S	C	.	.			trans	-162.4	163.2	173.2	66.8	0	0	0	0	109.8	F277 Y281 V282 A283	F277-S279 VanDerWaalsContact C-N 3.25Å; F277-S279 PolarHBondContact O-N 3.11Å; S279-Y281 PolarHBondContact O-N 2.91Å; S279-Y281 PolarHBondContact OG-N 2.83Å; S279-V282 PolarHBondContact O-N 2.75Å; S279-V282 WeakPolarHBondContact OG-CG2 3.12Å; S279-V282 PolarHBondContact OG-N 3.06Å; S279-A283 PolarHBondContact O-N 3.35Å
280	C	98.7	Very high	98.7	Very high	7 Å²	7	26.6 Å²	26.6	5%	0.047	16%	0.161	C	C	.	.	H	α-helix	trans	-71.5	-18.8	172.6	-155.5	0	0	0	0	112.7	V282 A283 N284 V381 G409	C280-V282 VanDerWaalsContact C-N 3.33Å; C280-A283 PolarHBondContact O-N 3.43Å; C280-N284 VanDerWaalsContact O-CB 3.29Å; C280-N284 WeakPolarHBondContact O-CB 3.22Å; C280-N284 VanDerWaalsContact O-CG 3.22Å; C280-N284 PolarHBondContact O-N 3.34Å; C280-N284 PolarHBondContact O-ND2 3.11Å; C280-V381 HydrophobicContact CB-CG2 3.75Å; C280-V381 WeakPolarHBondContact SG-CG2 3.45Å; C280-G409 VanDerWaalsContact SG-C 3.56Å; C280-G409 PolarHBondContact SG-O 3.02Å
281	Y	98.7	Very high	98.7	Very high	97 Å²	97	24 Å²	24	38%	0.38	13%	0.133	S	C	.	.	H	α-helix	trans	-58.6	-51.3	167.9	-172.2	-69.7	0	0	0	109.6	S279 N284 E285	S279-Y281 PolarHBondContact O-N 2.91Å; S279-Y281 PolarHBondContact OG-N 2.83Å; Y281-N284 PolarHBondContact O-N 3.32Å; Y281-E285 HydrophobicContact CE1-CB 4.49Å; Y281-E285 VanDerWaalsContact O-CB 3.3Å; Y281-E285 WeakPolarHBondContact O-CB 3.48Å; Y281-E285 PolarHBondContact O-N 3.29Å
282	V	98.7	Very high	98.7	Very high	27 Å²	27	23.2 Å²	23.2	16%	0.164	13%	0.132	C	C	.	.	H	α-helix	trans	-67.4	-39.4	179.5	176	0	0	0	0	111.3	F277 S279 C280 A286 G438	F277-V282 HydrophobicContact CD1-CG1 4.05Å; S279-V282 PolarHBondContact O-N 2.75Å; S279-V282 WeakPolarHBondContact OG-CG2 3.12Å; S279-V282 PolarHBondContact OG-N 3.06Å; C280-V282 VanDerWaalsContact C-N 3.33Å; V282-A286 WeakPolarHBondContact O-CB 3.29Å; V282-A286 PolarHBondContact O-N 3.45Å; V282-G438 WeakPolarHBondContact CG1-O 3.45Å
283	A	98.8	Very high	98.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.7	-52.3	175.2	0	0	0	0	0	111.2	F277 S279 C280 A286 V287	F277-A283 HydrophobicContact CB-CB 4.09Å; F277-A283 HydrophobicContact CD2-CB 3.63Å; F277-A283 HydrophobicContact CE2-CB 4.13Å; F277-A283 HydrophobicContact CG-CB 3.85Å; S279-A283 PolarHBondContact O-N 3.35Å; C280-A283 PolarHBondContact O-N 3.43Å; A283-A286 PolarHBondContact O-N 3.34Å; A283-V287 VanDerWaalsContact O-CB 3.27Å; A283-V287 WeakPolarHBondContact O-CB 3.42Å; A283-V287 WeakPolarHBondContact O-CG2 3.29Å; A283-V287 PolarHBondContact O-N 3.07Å
284	N	98.9	Very high	98.6	Very high	2 Å²	2	27 Å²	27	1%	0.011	14%	0.142	C	C	.	.	H	α-helix	trans	-60.5	-50	179.5	-73.7	-8.8	0	0	0	112.1	C280 Y281 L288 S309 M310 D379 T408	C280-N284 VanDerWaalsContact O-CB 3.29Å; C280-N284 WeakPolarHBondContact O-CB 3.22Å; C280-N284 VanDerWaalsContact O-CG 3.22Å; C280-N284 PolarHBondContact O-N 3.34Å; C280-N284 PolarHBondContact O-ND2 3.11Å; Y281-N284 PolarHBondContact O-N 3.32Å; N284-L288 WeakPolarHBondContact O-CB 3.5Å; N284-L288 WeakPolarHBondContact O-CG 3.31Å; N284-L288 PolarHBondContact O-N 3.39Å; N284-L288 VanDerWaalsContact O-N 3.12Å; N284-S309 WeakPolarHBondContact CB-OG 3.4Å; N284-S309 PolarHBondContact ND2-OG 3.17Å; N284-M310 HydrophobicContact CB-CG 3.97Å; N284-D379 PolarHBondContact ND2-OD2 3.4Å; N284-T408 VanDerWaalsContact OD1-CB 3.29Å; N284-T408 WeakPolarHBondContact OD1-CB 3.37Å; N284-T408 WeakPolarHBondContact OD1-CG2 3.26Å; N284-T408 PolarHBondContact OD1-OG1 3.45Å
285	E	98.7	Very high	98.6	Very high	56 Å²	56	28.5 Å²	28.5	26%	0.262	15%	0.149	S	C	.	.	H	α-helix	trans	-57.5	-56.6	178.2	178.3	-166.4	169.4	0	0	110.8	Y281 V287 H289 H312 G313	Y281-E285 HydrophobicContact CE1-CB 4.49Å; Y281-E285 VanDerWaalsContact O-CB 3.3Å; Y281-E285 WeakPolarHBondContact O-CB 3.48Å; Y281-E285 PolarHBondContact O-N 3.29Å; E285-V287 PolarHBondContact O-N 2.97Å; E285-H289 WeakPolarHBondContact O-CB 3.28Å; E285-H289 PolarHBondContact O-N 2.95Å; E285-H312 IonicContact OE1-CD2 2.77Å; E285-H312 IonicContact OE1-NE2 2.72Å; E285-G313 WeakPolarHBondContact O-CA 3.49Å
286	A	98.6	Very high	98.5	Very high	6 Å²	6	33 Å²	33	5%	0.05	18%	0.178	C	C	.	.	H	α-helix	trans	-67.9	-36.8	-170.4	0	0	0	0	0	111.8	F277 V282 A283 T290 A436	F277-A286 HydrophobicContact CE1-CB 4.04Å; V282-A286 WeakPolarHBondContact O-CB 3.29Å; V282-A286 PolarHBondContact O-N 3.45Å; A283-A286 PolarHBondContact O-N 3.34Å; A286-T290 WeakPolarHBondContact O-CB 3.21Å; A286-T290 PolarHBondContact O-N 3.05Å; A286-T290 PolarHBondContact O-OG1 2.71Å; A286-A436 HydrophobicContact CB-CB 4.13Å
287	V	98.8	Very high	98.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68.9	-53.3	178	177.1	0	0	0	0	111.1	F277 A283 E285 H289 T290 L291 F377 L422 I432	F277-V287 HydrophobicContact CZ-CG2 4.11Å; A283-V287 VanDerWaalsContact O-CB 3.27Å; A283-V287 WeakPolarHBondContact O-CB 3.42Å; A283-V287 WeakPolarHBondContact O-CG2 3.29Å; A283-V287 PolarHBondContact O-N 3.07Å; E285-V287 PolarHBondContact O-N 2.97Å; V287-H289 VanDerWaalsContact C-N 3.33Å; V287-H289 PolarHBondContact O-N 3.08Å; V287-T290 PolarHBondContact O-N 2.93Å; V287-L291 HydrophobicContact CG1-CD1 3.67Å; V287-L291 HydrophobicContact CG1-CG 4.31Å; V287-L291 WeakPolarHBondContact O-CB 3.31Å; V287-L291 VanDerWaalsContact O-CG 3.31Å; V287-L291 WeakPolarHBondContact O-CG 3.4Å; V287-L291 PolarHBondContact O-N 3.22Å; V287-F377 HydrophobicContact CB-CE2 3.99Å; V287-F377 HydrophobicContact CG1-CD2 4.11Å; V287-F377 HydrophobicContact CG1-CE2 3.6Å; V287-L422 HydrophobicContact CG1-CD1 4.42Å; V287-L422 HydrophobicContact CG1-CD2 4.34Å; V287-L422 HydrophobicContact CG2-CB 4.26Å; V287-L422 HydrophobicContact CG2-CD1 4.48Å; V287-L422 HydrophobicContact CG2-CD2 3.85Å; V287-L422 HydrophobicContact CG2-CG 4.42Å; V287-I432 HydrophobicContact CB-CD1 4.35Å; V287-I432 HydrophobicContact CG1-CD1 4.05Å; V287-I432 HydrophobicContact CG1-CG1 4.36Å; V287-I432 HydrophobicContact CG2-CD1 4.34Å; V287-I432 HydrophobicContact CG2-CG1 4.35Å; V287-I432 HydrophobicContact CG2-CG2 3.89Å
288	L	98.9	Very high	98.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.6	-37.2	-179.2	-72.1	163.1	0	0	0	111.9	N284 G292 M310 I314 L346 A348 F377	N284-L288 WeakPolarHBondContact O-CB 3.5Å; N284-L288 WeakPolarHBondContact O-CG 3.31Å; N284-L288 PolarHBondContact O-N 3.39Å; N284-L288 VanDerWaalsContact O-N 3.12Å; L288-G292 PolarHBondContact O-N 2.91Å; L288-M310 HydrophobicContact CD1-CB 3.62Å; L288-M310 HydrophobicContact CD1-CG 3.68Å; L288-M310 HydrophobicContact CD1-SD 4.48Å; L288-I314 HydrophobicContact CB-CG1 4.21Å; L288-I314 HydrophobicContact CD1-CD1 4.31Å; L288-I314 HydrophobicContact CD1-CG1 4.1Å; L288-I314 HydrophobicContact CD2-CG1 4.25Å; L288-I314 HydrophobicContact CG-CG1 4.43Å; L288-L346 HydrophobicContact CD2-CD1 4.48Å; L288-L346 HydrophobicContact CD2-CD2 3.86Å; L288-A348 HydrophobicContact CD2-CB 4.31Å; L288-F377 HydrophobicContact CD1-CD1 4.21Å; L288-F377 HydrophobicContact CD1-CE1 3.83Å; L288-F377 HydrophobicContact CD1-CE2 4.49Å; L288-F377 HydrophobicContact CD1-CZ 3.98Å; L288-F377 HydrophobicContact CD2-CB 4.4Å; L288-F377 HydrophobicContact CD2-CD1 4.14Å; L288-F377 HydrophobicContact CD2-CD2 3.98Å; L288-F377 HydrophobicContact CD2-CE1 4.45Å; L288-F377 HydrophobicContact CD2-CE2 4.29Å; L288-F377 HydrophobicContact CD2-CG 3.9Å; L288-F377 HydrophobicContact CG-CD1 4.37Å; L288-F377 HydrophobicContact CG-CD2 4.21Å; L288-F377 HydrophobicContact CG-CE1 4.18Å; L288-F377 HydrophobicContact CG-CE2 4Å; L288-F377 HydrophobicContact CG-CG 4.4Å; L288-F377 HydrophobicContact CG-CZ 3.98Å
289	H	98.7	Very high	98.3	Very high	59 Å²	59	39.3 Å²	39.3	27%	0.273	21%	0.206	S	C	.	.	H	α-helix	trans	-58.1	-54.9	172.2	179.6	89.3	0	0	0	111.1	E285 V287 L291 G292 A293 G313 T316 S317	E285-H289 WeakPolarHBondContact O-CB 3.28Å; E285-H289 PolarHBondContact O-N 2.95Å; V287-H289 VanDerWaalsContact C-N 3.33Å; V287-H289 PolarHBondContact O-N 3.08Å; H289-L291 PolarHBondContact O-N 2.88Å; H289-G292 PolarHBondContact O-N 2.58Å; H289-A293 VanDerWaalsContact O-CB 3.3Å; H289-A293 WeakPolarHBondContact O-CB 3.08Å; H289-A293 PolarHBondContact O-N 3.42Å; H289-G313 WeakPolarHBondContact CA-O 3.36Å; H289-T316 PolarHBondContact CE1-O 3.48Å; H289-T316 PolarHBondContact ND1-O 3.25Å; H289-T316 PolarHBondContact ND1-OG1 2.67Å; H289-S317 PolarHBondContact ND1-N 2.85Å; H289-S317 WeakPolarHBondContact O-CB 3.47Å
290	T	98.7	Very high	98.3	Very high	6 Å²	6	37.4 Å²	37.4	4%	0.037	19%	0.193	C	C	.	.	H	α-helix	trans	-64.5	-43.2	-175.4	-56.3	0	0	0	0	111.2	A286 V287 A293 R294 M431 I432	A286-T290 WeakPolarHBondContact O-CB 3.21Å; A286-T290 PolarHBondContact O-N 3.05Å; A286-T290 PolarHBondContact O-OG1 2.71Å; V287-T290 PolarHBondContact O-N 2.93Å; T290-A293 PolarHBondContact O-N 2.65Å; T290-R294 HydrophobicContact CG2-CG 3.93Å; T290-R294 VanDerWaalsContact O-CB 3.29Å; T290-R294 WeakPolarHBondContact O-CB 3.26Å; T290-R294 WeakPolarHBondContact O-CG 3.18Å; T290-R294 PolarHBondContact O-N 2.86Å; T290-M431 HydrophobicContact CG2-CE 4.18Å; T290-I432 HydrophobicContact CG2-CD1 3.93Å
291	L	98.7	Very high	98.4	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-49.2	176.5	-71	169.5	0	0	0	111.5	V287 H289 A293 R294 I295 L298 L346 L428 M431 I432	V287-L291 HydrophobicContact CG1-CD1 3.67Å; V287-L291 HydrophobicContact CG1-CG 4.31Å; V287-L291 WeakPolarHBondContact O-CB 3.31Å; V287-L291 VanDerWaalsContact O-CG 3.31Å; V287-L291 WeakPolarHBondContact O-CG 3.4Å; V287-L291 PolarHBondContact O-N 3.22Å; H289-L291 PolarHBondContact O-N 2.88Å; L291-A293 VanDerWaalsContact C-N 3.3Å; L291-A293 PolarHBondContact O-N 3.34Å; L291-R294 PolarHBondContact O-N 3.12Å; L291-I295 HydrophobicContact CB-CD1 4.3Å; L291-I295 HydrophobicContact CD2-CD1 3.75Å; L291-I295 WeakPolarHBondContact O-CB 3.23Å; L291-I295 WeakPolarHBondContact O-CG1 3.48Å; L291-I295 PolarHBondContact O-N 3.38Å; L291-L298 HydrophobicContact CB-CD2 4.39Å; L291-L346 HydrophobicContact CD1-CD1 3.71Å; L291-L428 HydrophobicContact CD2-CD1 3.81Å; L291-M431 HydrophobicContact CD2-CE 3.7Å; L291-M431 HydrophobicContact CG-CE 4.45Å; L291-I432 HydrophobicContact CG-CD1 4.34Å
292	G	98.4	Very high	98.4	Very high	9 Å²	9	32.9 Å²	32.9	9%	0.093	18%	0.175	C	C	.	.	H	α-helix	trans	-66	-29.7	179.1	0	0	0	0	0	114.2	L288 H289	L288-G292 PolarHBondContact O-N 2.91Å; H289-G292 PolarHBondContact O-N 2.58Å
293	A	98.1	Very high	98.4	Very high	57 Å²	57	31.8 Å²	31.8	47%	0.471	17%	0.168	S	C	.	.	H	α-helix	trans	-82	-27.7	177.4	0	0	0	0	0	113.6	H289 T290 L291	H289-A293 VanDerWaalsContact O-CB 3.3Å; H289-A293 WeakPolarHBondContact O-CB 3.08Å; H289-A293 PolarHBondContact O-N 3.42Å; T290-A293 PolarHBondContact O-N 2.65Å; L291-A293 VanDerWaalsContact C-N 3.3Å; L291-A293 PolarHBondContact O-N 3.34Å
294	R	97.9	Very high	98.3	Very high	131 Å²	131	34.6 Å²	34.6	49%	0.494	19%	0.191	S	C	.	.	H	α-helix	trans	-102.9	-29.3	-172.9	-57.8	-60.7	-88	169.3	-0.4	114.1	T290 L291 P296 Y435	T290-R294 HydrophobicContact CG2-CG 3.93Å; T290-R294 VanDerWaalsContact O-CB 3.29Å; T290-R294 WeakPolarHBondContact O-CB 3.26Å; T290-R294 WeakPolarHBondContact O-CG 3.18Å; T290-R294 PolarHBondContact O-N 2.86Å; L291-R294 PolarHBondContact O-N 3.12Å; R294-P296 WeakPolarHBondContact O-CD 3.5Å; R294-Y435 PolarHBondContact NH2-OH 3.14Å
295	I	98	Very high	98.2	Very high	40 Å²	40	35.3 Å²	35.3	21%	0.205	20%	0.2	C	C	.	.	S	Bend	trans	-83.8	115.1	178.5	-59.7	174.7	0	0	0	109.1	L291 Q297 L298 P344 L375	L291-I295 HydrophobicContact CB-CD1 4.3Å; L291-I295 HydrophobicContact CD2-CD1 3.75Å; L291-I295 WeakPolarHBondContact O-CB 3.23Å; L291-I295 WeakPolarHBondContact O-CG1 3.48Å; L291-I295 PolarHBondContact O-N 3.38Å; I295-Q297 PolarHBondContact O-N 3.16Å; I295-L298 HydrophobicContact CB-CB 3.98Å; I295-L298 HydrophobicContact CB-CD2 4.34Å; I295-L298 HydrophobicContact CD1-CD1 4.45Å; I295-L298 HydrophobicContact CD1-CD2 4.28Å; I295-L298 HydrophobicContact CG2-CB 3.96Å; I295-L298 HydrophobicContact CG2-CD1 4.14Å; I295-L298 PolarHBondContact O-N 3Å; I295-P344 HydrophobicContact CG2-CB 3.68Å; I295-P344 HydrophobicContact CG2-CG 4.23Å; I295-L375 HydrophobicContact CD1-CD1 4.25Å
296	P	96.8	Very high	98.2	Very high	98 Å²	98	33 Å²	33	64%	0.636	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	131.6	-177.9	-23.4	34.7	0	0	0	111.7	R294 L298 P344	R294-P296 WeakPolarHBondContact O-CD 3.5Å; P296-L298 PolarHBondContact O-N 2.96Å; P296-L298 VanDerWaalsContact O-N 3.16Å; P296-P344 WeakPolarHBondContact O-CG 3.23Å
297	Q	96.1	Very high	98.2	Very high	167 Å²	167	36.1 Å²	36.1	78%	0.78	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	21.5	175.6	-52	176.6	51.1	0	0	114.8	I295 T299	I295-Q297 PolarHBondContact O-N 3.16Å; Q297-T299 PolarHBondContact O-N 3.47Å
298	L	98.3	Very high	98.1	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	22%	0.224	C	C	.	.			trans	-58.8	130.3	176.7	-175.6	69.6	0	0	0	111.4	L291 I295 P296 I300 P320 P344 L346	L291-L298 HydrophobicContact CB-CD2 4.39Å; I295-L298 HydrophobicContact CB-CB 3.98Å; I295-L298 HydrophobicContact CB-CD2 4.34Å; I295-L298 HydrophobicContact CD1-CD1 4.45Å; I295-L298 HydrophobicContact CD1-CD2 4.28Å; I295-L298 HydrophobicContact CG2-CB 3.96Å; I295-L298 HydrophobicContact CG2-CD1 4.14Å; I295-L298 PolarHBondContact O-N 3Å; P296-L298 PolarHBondContact O-N 2.96Å; P296-L298 VanDerWaalsContact O-N 3.16Å; L298-I300 HydrophobicContact CD2-CD1 4.16Å; L298-I300 HydrophobicContact CD2-CG1 3.87Å; L298-I300 HydrophobicContact CG-CG1 4.19Å; L298-P320 WeakPolarHBondContact O-CD 3.5Å; L298-P344 HydrophobicContact CD1-CB 4.03Å; L298-L346 HydrophobicContact CD1-CB 4.04Å; L298-L346 HydrophobicContact CD2-CB 4.38Å
299	T	98.5	Very high	98.1	Very high	16 Å²	16	38.8 Å²	38.8	10%	0.098	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.3	166	-58.3	0	0	0	0	110.2	Q297 F301 P320 V322 P344 K345 L346	Q297-T299 PolarHBondContact O-N 3.47Å; T299-F301 HydrophobicContact CG2-CD2 4.32Å; T299-F301 HydrophobicContact CG2-CE2 3.76Å; T299-F301 HydrophobicContact CG2-CZ 4.17Å; T299-P320 WeakPolarHBondContact CA-O 3.26Å; T299-P320 HydrophobicContact CG2-CB 4.19Å; T299-V322 HydrophobicContact CG2-CG2 3.94Å; T299-P344 PolarHBondContact N-O 3.01Å; T299-K345 WeakPolarHBondContact O-CA 3.31Å; T299-L346 PolarHBondContact O-N 3.41Å
300	I	98.7	Very high	98.1	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.2	177.9	-60.6	180	0	0	0	110.8	L298 I314 C319 P320 K321 V322 L346 A348	L298-I300 HydrophobicContact CD2-CD1 4.16Å; L298-I300 HydrophobicContact CD2-CG1 3.87Å; L298-I300 HydrophobicContact CG-CG1 4.19Å; I300-I314 HydrophobicContact CB-CG2 4.33Å; I300-I314 HydrophobicContact CD1-CG1 4.05Å; I300-I314 HydrophobicContact CD1-CG2 4.37Å; I300-I314 HydrophobicContact CG2-CD1 3.75Å; I300-I314 HydrophobicContact CG2-CG1 3.94Å; I300-I314 HydrophobicContact CG2-CG2 4.23Å; I300-C319 WeakPolarHBondContact CD1-SG 3.21Å; I300-C319 VanDerWaalsContact CG1-SG 3.58Å; I300-P320 PolarHBondContact N-O 3.43Å; I300-K321 CarbonylContact O-C 3.54Å; I300-K321 WeakPolarHBondContact O-CA 3.47Å; I300-V322 PolarHBondContact O-N 3.42Å; I300-L346 CarbonylContact C-O 3.52Å; I300-L346 WeakPolarHBondContact CA-O 3.38Å; I300-L346 HydrophobicContact CG1-CB 4.35Å; I300-L346 HydrophobicContact CG1-CD2 4.28Å; I300-L346 HydrophobicContact CG2-CD2 3.82Å; I300-A348 HydrophobicContact CG2-CB 4.49Å
301	F	98.7	Very high	98.1	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	111.8	171.1	-65.6	-101.3	0	0	0	108.5	T299 V322 Y324 L332 L335 L336 I339 K345 L346 I347 A348	T299-F301 HydrophobicContact CG2-CD2 4.32Å; T299-F301 HydrophobicContact CG2-CE2 3.76Å; T299-F301 HydrophobicContact CG2-CZ 4.17Å; F301-V322 CarbonylContact C-O 3.56Å; F301-V322 VanDerWaalsContact CA-O 3.26Å; F301-V322 WeakPolarHBondContact CA-O 3.47Å; F301-V322 HydrophobicContact CD1-CB 3.82Å; F301-V322 HydrophobicContact CD1-CG1 3.96Å; F301-V322 HydrophobicContact CE1-CB 3.95Å; F301-V322 HydrophobicContact CE1-CG1 4Å; F301-V322 HydrophobicContact CE1-CG2 4.2Å; F301-V322 HydrophobicContact CG-CB 4.42Å; F301-Y324 HydrophobicContact CB-CD1 4.36Å; F301-Y324 HydrophobicContact CB-CE1 4.45Å; F301-L332 HydrophobicContact CB-CD1 3.9Å; F301-L332 HydrophobicContact CD1-CD1 3.93Å; F301-L332 HydrophobicContact CG-CD1 4.17Å; F301-L335 HydrophobicContact CD1-CB 4.43Å; F301-L335 HydrophobicContact CE1-CB 4.09Å; F301-L336 HydrophobicContact CD1-CD2 4.14Å; F301-L336 HydrophobicContact CD1-CG 4.16Å; F301-L336 HydrophobicContact CD2-CD2 3.93Å; F301-L336 HydrophobicContact CE1-CD2 3.73Å; F301-L336 HydrophobicContact CE1-CG 3.84Å; F301-L336 HydrophobicContact CE2-CD2 3.53Å; F301-L336 HydrophobicContact CG-CD2 4.23Å; F301-L336 HydrophobicContact CZ-CD2 3.4Å; F301-L336 HydrophobicContact CZ-CG 4.03Å; F301-I339 HydrophobicContact CZ-CG1 3.95Å; F301-K345 HydrophobicContact CE2-CB 4.31Å; F301-K345 HydrophobicContact CE2-CD 3.98Å; F301-K345 HydrophobicContact CE2-CG 3.95Å; F301-K345 HydrophobicContact CZ-CD 4.46Å; F301-L346 PolarHBondContact N-O 3.37Å; F301-I347 HydrophobicContact CB-CG1 4Å; F301-I347 CarbonylContact O-C 3.58Å; F301-I347 WeakPolarHBondContact O-CA 3.27Å; F301-A348 PolarHBondContact O-N 3.05Å
302	S	98.8	Very high	98.1	Very high	8 Å²	8	41.9 Å²	41.9	6%	0.056	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.2	-175.3	-178.3	0	0	0	0	110.3	N306 V322 I323 Y324	S302-N306 PolarHBondContact OG-ND2 2.97Å; S302-V322 PolarHBondContact N-O 2.9Å; S302-I323 WeakPolarHBondContact O-CA 3.36Å; S302-Y324 VanDerWaalsContact C-CD1 3.49Å; S302-Y324 VanDerWaalsContact O-CD1 3.29Å; S302-Y324 WeakPolarHBondContact O-CD1 3.09Å; S302-Y324 PolarHBondContact O-N 3.3Å
303	D	98.7	Very high	98.1	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	140.6	165.1	-167.7	-76.9	0	0	0	110	G305 N306 Y324 H326 N327 A348 F349	D303-G305 PolarHBondContact O-N 3.5Å; D303-G305 WeakPolarHBondContact OD1-CA 3.41Å; D303-G305 PolarHBondContact OD1-N 2.7Å; D303-N306 PolarHBondContact N-ND2 3.48Å; D303-N306 WeakPolarHBondContact O-CB 3.26Å; D303-N306 PolarHBondContact O-N 3.26Å; D303-Y324 HydrophobicContact CB-CE1 4.21Å; D303-Y324 HydrophobicContact CB-CE2 3.94Å; D303-Y324 VanDerWaalsContact OD2-CE2 3.26Å; D303-Y324 WeakPolarHBondContact OD2-CE2 3.43Å; D303-H326 WeakPolarHBondContact OD1-CA 3.39Å; D303-H326 IonicContact OD1-CE1 3.46Å; D303-H326 IonicContact OD1-CG 2.83Å; D303-H326 IonicContact OD1-ND1 2.81Å; D303-H326 PolarHBondContact OD1-ND1 2.92Å; D303-H326 WeakPolarHBondContact OD2-CA 3.5Å; D303-H326 IonicContact OD2-ND1 3.62Å; D303-N327 PolarHBondContact OD2-N 3.41Å; D303-A348 PolarHBondContact N-O 3.41Å; D303-A348 VanDerWaalsContact N-O 3.1Å; D303-F349 HydrophobicContact CB-CB 4.02Å
304	A	98	Very high	98.1	Very high	59 Å²	59	38.9 Å²	38.9	49%	0.488	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-25.6	179.1	0	0	0	0	0	113.6	N306 I323 Y324	A304-N306 VanDerWaalsContact C-N 3.34Å; A304-I323 HydrophobicContact CB-CG2 3.86Å; A304-Y324 VanDerWaalsContact CB-O 3.26Å; A304-Y324 WeakPolarHBondContact CB-O 3.37Å; A304-Y324 PolarHBondContact N-O 3.14Å
305	G	96.3	Very high	98.1	Very high	18 Å²	18	40.2 Å²	40.2	19%	0.186	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	7.3	177.3	0	0	0	0	0	114.2	D303 H307 H353	D303-G305 PolarHBondContact O-N 3.5Å; D303-G305 WeakPolarHBondContact OD1-CA 3.41Å; D303-G305 PolarHBondContact OD1-N 2.7Å; G305-H307 PolarHBondContact O-N 2.7Å; G305-H353 PolarHBondContact O-CD2 3.1Å; G305-H353 PolarHBondContact O-NE2 3.24Å; G305-H353 VanDerWaalsContact O-NE2 3.09Å
306	N	98.4	Very high	98.1	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	22%	0.223	C	C	.	.			trans	-60.2	136.2	-177.4	-87	-12.5	0	0	0	113.3	S302 D303 A304 M310 I311 A348 F349	S302-N306 PolarHBondContact OG-ND2 2.97Å; D303-N306 PolarHBondContact N-ND2 3.48Å; D303-N306 WeakPolarHBondContact O-CB 3.26Å; D303-N306 PolarHBondContact O-N 3.26Å; A304-N306 VanDerWaalsContact C-N 3.34Å; N306-M310 HydrophobicContact CB-CB 4.34Å; N306-M310 HydrophobicContact CB-CE 3.69Å; N306-M310 VanDerWaalsContact CG-CE 3.48Å; N306-M310 VanDerWaalsContact OD1-CE 3.23Å; N306-M310 WeakPolarHBondContact OD1-CE 3.33Å; N306-I311 HydrophobicContact CB-CG1 4.4Å; N306-I311 WeakPolarHBondContact O-CD1 3.43Å; N306-A348 PolarHBondContact ND2-O 3.4Å; N306-F349 VanDerWaalsContact OD1-CA 3.29Å; N306-F349 WeakPolarHBondContact OD1-CA 3.46Å
307	H	98.2	Very high	98.2	Very high	72 Å²	72	36.4 Å²	36.4	33%	0.333	20%	0.196	S	C	.	.			trans	-53.4	148.5	176.2	-172.7	-107.5	0	0	0	113.3	G305 S309 M310 I311 E350	G305-H307 PolarHBondContact O-N 2.7Å; H307-S309 PolarHBondContact ND1-N 2.92Å; H307-S309 PolarHBondContact ND1-OG 3.34Å; H307-S309 PolarHBondContact O-N 3.3Å; H307-M310 HydrophobicContact CB-CE 4.11Å; H307-M310 PolarHBondContact O-N 3.12Å; H307-I311 PolarHBondContact O-N 2.79Å; H307-I311 VanDerWaalsContact O-N 3.11Å; H307-E350 WeakPolarHBondContact CA-OE1 3.42Å; H307-E350 VanDerWaalsContact CB-OE1 3.27Å; H307-E350 WeakPolarHBondContact CB-OE1 3.46Å; H307-E350 PolarHBondContact N-OE1 2.97Å
308	A	97.4	Very high	98.2	Very high	56 Å²	56	39.5 Å²	39.5	46%	0.463	20%	0.2	S	C	.	.	H	α-helix	trans	-52	-32.7	-177.9	0	0	0	0	0	113.9	H312	A308-H312 VanDerWaalsContact O-CB 3.31Å; A308-H312 WeakPolarHBondContact O-CB 3.35Å; A308-H312 PolarHBondContact O-N 3.17Å
309	S	98.5	Very high	98.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.4	-40.7	176.6	60.8	0	0	0	0	113	N284 H307 H312 G313	N284-S309 WeakPolarHBondContact CB-OG 3.4Å; N284-S309 PolarHBondContact ND2-OG 3.17Å; H307-S309 PolarHBondContact ND1-N 2.92Å; H307-S309 PolarHBondContact ND1-OG 3.34Å; H307-S309 PolarHBondContact O-N 3.3Å; S309-H312 PolarHBondContact O-N 3.24Å; S309-G313 PolarHBondContact O-N 3.3Å; S309-G313 VanDerWaalsContact O-N 3.07Å
310	M	98.8	Very high	98.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69.7	-45.3	176.2	-67.9	-170.3	-78.8	0	0	110.4	N284 L288 N306 H307 H312 G313 I314 E350 F377 D379	N284-M310 HydrophobicContact CB-CG 3.97Å; L288-M310 HydrophobicContact CD1-CB 3.62Å; L288-M310 HydrophobicContact CD1-CG 3.68Å; L288-M310 HydrophobicContact CD1-SD 4.48Å; N306-M310 HydrophobicContact CB-CB 4.34Å; N306-M310 HydrophobicContact CB-CE 3.69Å; N306-M310 VanDerWaalsContact CG-CE 3.48Å; N306-M310 VanDerWaalsContact OD1-CE 3.23Å; N306-M310 WeakPolarHBondContact OD1-CE 3.33Å; H307-M310 HydrophobicContact CB-CE 4.11Å; H307-M310 PolarHBondContact O-N 3.12Å; M310-H312 PolarHBondContact O-N 3.13Å; M310-G313 PolarHBondContact O-N 3.07Å; M310-I314 WeakPolarHBondContact O-CB 3.46Å; M310-I314 VanDerWaalsContact O-CG1 3.23Å; M310-I314 WeakPolarHBondContact O-CG1 3.37Å; M310-I314 PolarHBondContact O-N 2.75Å; M310-E350 HydrophobicContact CE-CG 3.45Å; M310-E350 VanDerWaalsContact CE-CG 3.45Å; M310-F377 HydrophobicContact CG-CE1 4.12Å; M310-F377 HydrophobicContact SD-CD1 4.15Å; M310-F377 HydrophobicContact SD-CE1 3.78Å; M310-D379 HydrophobicContact CE-CB 4.11Å; M310-D379 HydrophobicContact SD-CB 4.01Å
311	I	98.5	Very high	98	Very high	68 Å²	68	48 Å²	48	35%	0.349	25%	0.246	S	C	.	.	H	α-helix	trans	-55.4	-41.8	174.1	-65.4	174.6	0	0	0	110.7	N306 H307 R315	N306-I311 HydrophobicContact CB-CG1 4.4Å; N306-I311 WeakPolarHBondContact O-CD1 3.43Å; H307-I311 PolarHBondContact O-N 2.79Å; H307-I311 VanDerWaalsContact O-N 3.11Å; I311-R315 HydrophobicContact CG2-CG 4.31Å; I311-R315 VanDerWaalsContact O-CB 3.25Å; I311-R315 WeakPolarHBondContact O-CB 3.46Å; I311-R315 VanDerWaalsContact O-CG 3.26Å; I311-R315 WeakPolarHBondContact O-CG 3.33Å; I311-R315 PolarHBondContact O-N 2.74Å
312	H	98.2	Very high	98	Very high	67 Å²	67	49.7 Å²	49.7	31%	0.31	26%	0.256	S	S	.	.	H	α-helix	trans	-65.4	-48.8	179.3	-161	81.7	0	0	0	112	E285 A308 S309 M310 I314 R315 T316	E285-H312 IonicContact OE1-CD2 2.77Å; E285-H312 IonicContact OE1-NE2 2.72Å; A308-H312 VanDerWaalsContact O-CB 3.31Å; A308-H312 WeakPolarHBondContact O-CB 3.35Å; A308-H312 PolarHBondContact O-N 3.17Å; S309-H312 PolarHBondContact O-N 3.24Å; M310-H312 PolarHBondContact O-N 3.13Å; H312-I314 PolarHBondContact O-N 3.23Å; H312-R315 PolarHBondContact O-N 2.61Å; H312-T316 WeakPolarHBondContact O-CB 3.25Å; H312-T316 VanDerWaalsContact O-CG2 3.3Å; H312-T316 WeakPolarHBondContact O-CG2 3.3Å; H312-T316 PolarHBondContact O-N 2.93Å; H312-T316 PolarHBondContact O-OG1 2.91Å
313	G	98.6	Very high	98	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.2	-47	176.2	0	0	0	0	0	112.7	E285 H289 S309 M310 R315 T316 S317	E285-G313 WeakPolarHBondContact O-CA 3.49Å; H289-G313 WeakPolarHBondContact CA-O 3.36Å; S309-G313 PolarHBondContact O-N 3.3Å; S309-G313 VanDerWaalsContact O-N 3.07Å; M310-G313 PolarHBondContact O-N 3.07Å; G313-R315 PolarHBondContact O-N 3.24Å; G313-T316 PolarHBondContact O-N 3.02Å; G313-T316 PolarHBondContact O-OG1 2.84Å; G313-S317 PolarHBondContact O-N 2.89Å
314	I	98.7	Very high	98	Very high	4 Å²	4	54 Å²	54	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-40.5	178.4	-64.2	167.4	0	0	0	111.5	L288 I300 M310 H312 S317 K321 A348	L288-I314 HydrophobicContact CB-CG1 4.21Å; L288-I314 HydrophobicContact CD1-CD1 4.31Å; L288-I314 HydrophobicContact CD1-CG1 4.1Å; L288-I314 HydrophobicContact CD2-CG1 4.25Å; L288-I314 HydrophobicContact CG-CG1 4.43Å; I300-I314 HydrophobicContact CB-CG2 4.33Å; I300-I314 HydrophobicContact CD1-CG1 4.05Å; I300-I314 HydrophobicContact CD1-CG2 4.37Å; I300-I314 HydrophobicContact CG2-CD1 3.75Å; I300-I314 HydrophobicContact CG2-CG1 3.94Å; I300-I314 HydrophobicContact CG2-CG2 4.23Å; M310-I314 WeakPolarHBondContact O-CB 3.46Å; M310-I314 VanDerWaalsContact O-CG1 3.23Å; M310-I314 WeakPolarHBondContact O-CG1 3.37Å; M310-I314 PolarHBondContact O-N 2.75Å; H312-I314 PolarHBondContact O-N 3.23Å; I314-S317 PolarHBondContact O-OG 3.33Å; I314-K321 HydrophobicContact CG2-CB 3.85Å; I314-K321 HydrophobicContact CG2-CD 3.95Å; I314-A348 HydrophobicContact CD1-CB 4.42Å
315	R	98.3	Very high	98	Very high	159 Å²	159	57.3 Å²	57.3	60%	0.6	28%	0.281	S	S	*	.	H	α-helix	trans	-69.5	-40.7	179.1	-82.3	-179.4	52.7	-165.5	-11.6	112.7	I311 H312 G313 R318	I311-R315 HydrophobicContact CG2-CG 4.31Å; I311-R315 VanDerWaalsContact O-CB 3.25Å; I311-R315 WeakPolarHBondContact O-CB 3.46Å; I311-R315 VanDerWaalsContact O-CG 3.26Å; I311-R315 WeakPolarHBondContact O-CG 3.33Å; I311-R315 PolarHBondContact O-N 2.74Å; H312-R315 PolarHBondContact O-N 2.61Å; G313-R315 PolarHBondContact O-N 3.24Å; R315-R318 PolarHBondContact O-N 3.06Å
316	T	98.1	Very high	98.1	Very high	47 Å²	47	59.4 Å²	59.4	29%	0.288	29%	0.285	S	S	.	.	H	α-helix	trans	-78.4	-22.9	-175.7	56.1	0	0	0	0	112.7	H289 H312 G313 R318	H289-T316 PolarHBondContact CE1-O 3.48Å; H289-T316 PolarHBondContact ND1-O 3.25Å; H289-T316 PolarHBondContact ND1-OG1 2.67Å; H312-T316 WeakPolarHBondContact O-CB 3.25Å; H312-T316 VanDerWaalsContact O-CG2 3.3Å; H312-T316 WeakPolarHBondContact O-CG2 3.3Å; H312-T316 PolarHBondContact O-N 2.93Å; H312-T316 PolarHBondContact O-OG1 2.91Å; G313-T316 PolarHBondContact O-N 3.02Å; G313-T316 PolarHBondContact O-OG1 2.84Å; T316-R318 PolarHBondContact O-N 2.88Å
317	S	97.8	Very high	98.1	Very high	11 Å²	11	60.6 Å²	60.6	8%	0.077	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.9	171.7	76.2	0	0	0	0	113.1	H289 G313 I314 C319	H289-S317 PolarHBondContact ND1-N 2.85Å; H289-S317 WeakPolarHBondContact O-CB 3.47Å; G313-S317 PolarHBondContact O-N 2.89Å; I314-S317 PolarHBondContact O-OG 3.33Å; S317-C319 PolarHBondContact O-N 3.13Å; S317-C319 VanDerWaalsContact O-N 3.12Å; S317-C319 PolarHBondContact OG-N 2.94Å; S317-C319 PolarHBondContact OG-SG 3.06Å
318	R	96.8	Very high	98.1	Very high	231 Å²	231	59.5 Å²	59.5	87%	0.872	29%	0.289	S	S	*	.			trans	59.6	12	-175.2	-53.2	178.3	-177.5	-177.4	-0.1	114.5	R315 T316	R315-R318 PolarHBondContact O-N 3.06Å; T316-R318 PolarHBondContact O-N 2.88Å
319	C	96.2	Very high	98.2	Very high	17 Å²	17	58.2 Å²	58.2	12%	0.115	28%	0.275	C	S	.	.			trans	-71.9	158.1	175.4	75	0	0	0	0	111	I300 S317 K321	I300-C319 WeakPolarHBondContact CD1-SG 3.21Å; I300-C319 VanDerWaalsContact CG1-SG 3.58Å; S317-C319 PolarHBondContact O-N 3.13Å; S317-C319 VanDerWaalsContact O-N 3.12Å; S317-C319 PolarHBondContact OG-N 2.94Å; S317-C319 PolarHBondContact OG-SG 3.06Å; C319-K321 PolarHBondContact O-N 2.85Å
320	P	97.4	Very high	98.2	Very high	76 Å²	76	66.6 Å²	66.6	49%	0.494	31%	0.311	S	S	.	.			trans	-49.8	135.8	167.3	-27.6	33.8	0	0	0	111.5	L298 T299 I300	L298-P320 WeakPolarHBondContact O-CD 3.5Å; T299-P320 WeakPolarHBondContact CA-O 3.26Å; T299-P320 HydrophobicContact CG2-CB 4.19Å; I300-P320 PolarHBondContact N-O 3.43Å
321	K	98	Very high	98.2	Very high	104 Å²	104	69 Å²	69	45%	0.452	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.1	176.5	73.5	-176	-177.9	-175.7	0	111.3	I300 I314 C319	I300-K321 CarbonylContact O-C 3.54Å; I300-K321 WeakPolarHBondContact O-CA 3.47Å; I314-K321 HydrophobicContact CG2-CB 3.85Å; I314-K321 HydrophobicContact CG2-CD 3.95Å; C319-K321 PolarHBondContact O-N 2.85Å
322	V	98.3	Very high	98.2	Very high	36 Å²	36	65.8 Å²	65.8	22%	0.218	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.6	177.4	179.8	0	0	0	0	107.8	T299 I300 F301 S302 L335	T299-V322 HydrophobicContact CG2-CG2 3.94Å; I300-V322 PolarHBondContact O-N 3.42Å; F301-V322 CarbonylContact C-O 3.56Å; F301-V322 VanDerWaalsContact CA-O 3.26Å; F301-V322 WeakPolarHBondContact CA-O 3.47Å; F301-V322 HydrophobicContact CD1-CB 3.82Å; F301-V322 HydrophobicContact CD1-CG1 3.96Å; F301-V322 HydrophobicContact CE1-CB 3.95Å; F301-V322 HydrophobicContact CE1-CG1 4Å; F301-V322 HydrophobicContact CE1-CG2 4.2Å; F301-V322 HydrophobicContact CG-CB 4.42Å; S302-V322 PolarHBondContact N-O 2.9Å; V322-L335 HydrophobicContact CG1-CB 4.08Å; V322-L335 HydrophobicContact CG1-CD1 3.79Å; V322-L335 HydrophobicContact CG1-CD2 3.89Å; V322-L335 HydrophobicContact CG1-CG 4.13Å
323	I	98.6	Very high	98.2	Very high	100 Å²	100	65.5 Å²	65.5	51%	0.513	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.2	-179.4	-59.3	171.8	0	0	0	108.6	S302 A304	S302-I323 WeakPolarHBondContact O-CA 3.36Å; A304-I323 HydrophobicContact CB-CG2 3.86Å
324	Y	98.7	Very high	98.1	Very high	1 Å²	1	68.4 Å²	68.4	0%	0.004	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	161.2	170.9	66.3	-87.1	0	0	0	110.4	F301 S302 D303 A304 L332 I347 F349 L365	F301-Y324 HydrophobicContact CB-CD1 4.36Å; F301-Y324 HydrophobicContact CB-CE1 4.45Å; S302-Y324 VanDerWaalsContact C-CD1 3.49Å; S302-Y324 VanDerWaalsContact O-CD1 3.29Å; S302-Y324 WeakPolarHBondContact O-CD1 3.09Å; S302-Y324 PolarHBondContact O-N 3.3Å; D303-Y324 HydrophobicContact CB-CE1 4.21Å; D303-Y324 HydrophobicContact CB-CE2 3.94Å; D303-Y324 VanDerWaalsContact OD2-CE2 3.26Å; D303-Y324 WeakPolarHBondContact OD2-CE2 3.43Å; A304-Y324 VanDerWaalsContact CB-O 3.26Å; A304-Y324 WeakPolarHBondContact CB-O 3.37Å; A304-Y324 PolarHBondContact N-O 3.14Å; Y324-L332 HydrophobicContact CD1-CB 4.38Å; Y324-L332 HydrophobicContact CD1-CD1 3.7Å; Y324-L332 HydrophobicContact CD1-CG 4.46Å; Y324-L332 HydrophobicContact CD2-CB 3.95Å; Y324-L332 HydrophobicContact CE1-CD1 3.96Å; Y324-L332 HydrophobicContact CE1-CD2 4.38Å; Y324-L332 HydrophobicContact CE2-CB 4.45Å; Y324-L332 HydrophobicContact CE2-CD2 4.46Å; Y324-L332 HydrophobicContact CG-CB 3.91Å; Y324-L332 HydrophobicContact CG-CD1 4.09Å; Y324-L332 HydrophobicContact CG-CG 4.48Å; Y324-I347 HydrophobicContact CE1-CG2 4.3Å; Y324-F349 WeakPolarHBondContact OH-CB 3.12Å; Y324-L365 HydrophobicContact CE2-CD2 4.36Å
325	K	98.5	Very high	98.1	Very high	129 Å²	129	70.1 Å²	70.1	56%	0.561	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-69.4	146.3	-176.1	-76.6	169.2	-175.2	-179	0	108.9	N327 D328 H331	K325-N327 PolarHBondContact O-N 2.85Å; K325-D328 HydrophobicContact CB-CB 3.61Å; K325-D328 VanDerWaalsContact O-CB 3.32Å; K325-D328 WeakPolarHBondContact O-CB 3.39Å; K325-D328 PolarHBondContact O-N 2.84Å; K325-H331 WeakPolarHBondContact CG-ND1 3.39Å; K325-H331 PolarHBondContact N-ND1 2.72Å
326	H	98.1	Very high	98.1	Very high	62 Å²	62	62.6 Å²	62.6	29%	0.287	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	122	-175.6	-175.5	54.9	0	0	0	111.8	D303 D328 H353 D358	D303-H326 WeakPolarHBondContact OD1-CA 3.39Å; D303-H326 IonicContact OD1-CE1 3.46Å; D303-H326 IonicContact OD1-CG 2.83Å; D303-H326 IonicContact OD1-ND1 2.81Å; D303-H326 PolarHBondContact OD1-ND1 2.92Å; D303-H326 WeakPolarHBondContact OD2-CA 3.5Å; D303-H326 IonicContact OD2-ND1 3.62Å; H326-D328 PolarHBondContact O-N 3.22Å; H326-H353 AromaticContact CE1-CG 3.93Å; H326-D358 IonicContact CD2-OD2 3.61Å; H326-D358 IonicContact NE2-OD2 3.58Å; H326-D358 PolarHBondContact NE2-OD2 3.09Å
327	N	98.2	Very high	97.9	Very high	33 Å²	33	64 Å²	64	18%	0.176	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	56	15.2	-178.5	-70.6	-37.3	0	0	0	115.7	D303 K325 V329 C360 P361	D303-N327 PolarHBondContact OD2-N 3.41Å; K325-N327 PolarHBondContact O-N 2.85Å; N327-V329 PolarHBondContact O-N 2.97Å; N327-C360 VanDerWaalsContact OD1-CA 3.29Å; N327-C360 WeakPolarHBondContact OD1-CA 3.33Å; N327-C360 WeakPolarHBondContact OD1-CB 3.47Å; N327-P361 HydrophobicContact CB-CG 4.47Å
328	D	98.6	Very high	97.7	Very high	49 Å²	49	69.7 Å²	69.7	26%	0.262	36%	0.356	S	S	.	.			trans	-90.3	91	-176.8	-170.1	-18.6	0	0	0	111.7	K325 H326 K330 H331 L332	K325-D328 HydrophobicContact CB-CB 3.61Å; K325-D328 VanDerWaalsContact O-CB 3.32Å; K325-D328 WeakPolarHBondContact O-CB 3.39Å; K325-D328 PolarHBondContact O-N 2.84Å; H326-D328 PolarHBondContact O-N 3.22Å; D328-K330 PolarHBondContact O-N 3.01Å; D328-K330 WeakPolarHBondContact OD1-CB 3.45Å; D328-K330 PolarHBondContact OD1-N 3.3Å; D328-H331 HydrophobicContact CB-CB 3.98Å; D328-H331 VanDerWaalsContact CG-CB 3.45Å; D328-H331 PolarHBondContact O-N 2.75Å; D328-H331 PolarHBondContact OD1-N 2.86Å; D328-H331 WeakPolarHBondContact OD2-CB 2.93Å; D328-L332 PolarHBondContact O-N 3.45Å
329	V	98.6	Very high	97.6	Very high	29 Å²	29	61.2 Å²	61.2	18%	0.176	33%	0.328	C	S	.	.	H	α-helix	trans	-58.4	-35.4	177.1	-176.7	0	0	0	0	112	N327 T333 P361 N364 L365 V368	N327-V329 PolarHBondContact O-N 2.97Å; V329-T333 WeakPolarHBondContact O-CB 3.22Å; V329-T333 PolarHBondContact O-N 2.84Å; V329-T333 PolarHBondContact O-OG1 3.1Å; V329-P361 HydrophobicContact CG2-CB 4.29Å; V329-P361 HydrophobicContact CG2-CG 3.62Å; V329-N364 HydrophobicContact CG1-CB 4.1Å; V329-N364 HydrophobicContact CG2-CB 3.8Å; V329-L365 HydrophobicContact CG2-CD2 4.01Å; V329-L365 HydrophobicContact CG2-CG 4.21Å; V329-V368 HydrophobicContact CG1-CG2 3.66Å
330	K	98.5	Very high	97.4	Very high	176 Å²	176	65 Å²	65	77%	0.765	35%	0.351	S	S	*	.	H	α-helix	trans	-71.2	-44	-177.6	-68.1	-178.4	-179.8	177.8	0	110.7	D328 T333 S334	D328-K330 PolarHBondContact O-N 3.01Å; D328-K330 WeakPolarHBondContact OD1-CB 3.45Å; D328-K330 PolarHBondContact OD1-N 3.3Å; K330-T333 PolarHBondContact O-N 3.29Å; K330-S334 PolarHBondContact O-N 3.23Å
331	H	98.6	Very high	97	Very high	51 Å²	51	67.2 Å²	67.2	24%	0.236	35%	0.353	C	S	.	.	H	α-helix	trans	-65.2	-42.4	176	-173.4	-152.3	0	0	0	111.5	K325 D328 T333 S334 L335	K325-H331 WeakPolarHBondContact CG-ND1 3.39Å; K325-H331 PolarHBondContact N-ND1 2.72Å; D328-H331 HydrophobicContact CB-CB 3.98Å; D328-H331 VanDerWaalsContact CG-CB 3.45Å; D328-H331 PolarHBondContact O-N 2.75Å; D328-H331 PolarHBondContact OD1-N 2.86Å; D328-H331 WeakPolarHBondContact OD2-CB 2.93Å; H331-T333 VanDerWaalsContact C-N 3.32Å; H331-T333 PolarHBondContact O-N 3.08Å; H331-S334 PolarHBondContact O-N 3.36Å; H331-S334 PolarHBondContact O-OG 3.25Å; H331-L335 WeakPolarHBondContact O-CD1 3.48Å; H331-L335 VanDerWaalsContact O-CG 3.24Å; H331-L335 WeakPolarHBondContact O-CG 3.45Å; H331-L335 PolarHBondContact O-N 2.76Å
332	L	98.7	Very high	96.7	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-56.8	-46.8	172.7	174.5	59.8	0	0	0	111.6	F301 Y324 D328 S334 L335 L336 I347 L365 V368	F301-L332 HydrophobicContact CB-CD1 3.9Å; F301-L332 HydrophobicContact CD1-CD1 3.93Å; F301-L332 HydrophobicContact CG-CD1 4.17Å; Y324-L332 HydrophobicContact CD1-CB 4.38Å; Y324-L332 HydrophobicContact CD1-CD1 3.7Å; Y324-L332 HydrophobicContact CD1-CG 4.46Å; Y324-L332 HydrophobicContact CD2-CB 3.95Å; Y324-L332 HydrophobicContact CE1-CD1 3.96Å; Y324-L332 HydrophobicContact CE1-CD2 4.38Å; Y324-L332 HydrophobicContact CE2-CB 4.45Å; Y324-L332 HydrophobicContact CE2-CD2 4.46Å; Y324-L332 HydrophobicContact CG-CB 3.91Å; Y324-L332 HydrophobicContact CG-CD1 4.09Å; Y324-L332 HydrophobicContact CG-CG 4.48Å; D328-L332 PolarHBondContact O-N 3.45Å; L332-S334 PolarHBondContact O-N 2.84Å; L332-L335 PolarHBondContact O-N 3.46Å; L332-L336 HydrophobicContact CD1-CD1 3.74Å; L332-L336 HydrophobicContact CD1-CG 4.15Å; L332-L336 HydrophobicContact CG-CD1 3.81Å; L332-L336 WeakPolarHBondContact O-CG 2.95Å; L332-L336 PolarHBondContact O-N 2.98Å; L332-I347 HydrophobicContact CD1-CG1 4.37Å; L332-I347 HydrophobicContact CD1-CG2 4.49Å; L332-I347 HydrophobicContact CD2-CD1 4.29Å; L332-I347 HydrophobicContact CD2-CG2 3.93Å; L332-L365 HydrophobicContact CD2-CD2 3.68Å; L332-V368 HydrophobicContact CD2-CG1 3.98Å; L332-V368 HydrophobicContact CG-CG1 4Å
333	T	98.2	Very high	96.6	Very high	61 Å²	61	67.8 Å²	67.8	37%	0.374	36%	0.362	S	S	.	.	H	α-helix	trans	-61	-43.8	179.3	-56.9	0	0	0	0	111.9	V329 K330 H331 L335 L336 A337 V368	V329-T333 WeakPolarHBondContact O-CB 3.22Å; V329-T333 PolarHBondContact O-N 2.84Å; V329-T333 PolarHBondContact O-OG1 3.1Å; K330-T333 PolarHBondContact O-N 3.29Å; H331-T333 VanDerWaalsContact C-N 3.32Å; H331-T333 PolarHBondContact O-N 3.08Å; T333-L335 VanDerWaalsContact C-N 3.33Å; T333-L335 PolarHBondContact O-N 3.38Å; T333-L336 PolarHBondContact O-N 3.47Å; T333-A337 PolarHBondContact O-N 3.21Å; T333-A337 VanDerWaalsContact O-N 3.08Å; T333-V368 WeakPolarHBondContact OG1-CG2 3.42Å
334	S	97.9	Very high	96.5	Very high	61 Å²	61	65.4 Å²	65.4	43%	0.427	35%	0.354	S	S	.	.	H	α-helix	trans	-67.2	-34	179.3	70.2	0	0	0	0	112.6	K330 H331 L332 N338	K330-S334 PolarHBondContact O-N 3.23Å; H331-S334 PolarHBondContact O-N 3.36Å; H331-S334 PolarHBondContact O-OG 3.25Å; L332-S334 PolarHBondContact O-N 2.84Å; S334-N338 PolarHBondContact O-ND2 3.21Å; S334-N338 VanDerWaalsContact O-ND2 3.12Å
335	L	98	Very high	96.5	Very high	39 Å²	39	65.6 Å²	65.6	20%	0.204	35%	0.354	C	S	.	.	H	α-helix	trans	-69	-42.5	175.3	-69.6	165.6	0	0	0	111.8	F301 V322 H331 L332 T333 A337 N338	F301-L335 HydrophobicContact CD1-CB 4.43Å; F301-L335 HydrophobicContact CE1-CB 4.09Å; V322-L335 HydrophobicContact CG1-CB 4.08Å; V322-L335 HydrophobicContact CG1-CD1 3.79Å; V322-L335 HydrophobicContact CG1-CD2 3.89Å; V322-L335 HydrophobicContact CG1-CG 4.13Å; H331-L335 WeakPolarHBondContact O-CD1 3.48Å; H331-L335 VanDerWaalsContact O-CG 3.24Å; H331-L335 WeakPolarHBondContact O-CG 3.45Å; H331-L335 PolarHBondContact O-N 2.76Å; L332-L335 PolarHBondContact O-N 3.46Å; T333-L335 VanDerWaalsContact C-N 3.33Å; T333-L335 PolarHBondContact O-N 3.38Å; L335-A337 VanDerWaalsContact C-N 3.32Å; L335-A337 PolarHBondContact O-N 3.06Å; L335-N338 PolarHBondContact O-N 3.25Å
336	L	97.4	Very high	96.5	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-64.8	-33.7	177.2	-77.6	162.6	0	0	0	112.9	F301 L332 T333 N338 I339 K345 I347 V368 N372	F301-L336 HydrophobicContact CD1-CD2 4.14Å; F301-L336 HydrophobicContact CD1-CG 4.16Å; F301-L336 HydrophobicContact CD2-CD2 3.93Å; F301-L336 HydrophobicContact CE1-CD2 3.73Å; F301-L336 HydrophobicContact CE1-CG 3.84Å; F301-L336 HydrophobicContact CE2-CD2 3.53Å; F301-L336 HydrophobicContact CG-CD2 4.23Å; F301-L336 HydrophobicContact CZ-CD2 3.4Å; F301-L336 HydrophobicContact CZ-CG 4.03Å; L332-L336 HydrophobicContact CD1-CD1 3.74Å; L332-L336 HydrophobicContact CD1-CG 4.15Å; L332-L336 HydrophobicContact CG-CD1 3.81Å; L332-L336 WeakPolarHBondContact O-CG 2.95Å; L332-L336 PolarHBondContact O-N 2.98Å; T333-L336 PolarHBondContact O-N 3.47Å; L336-N338 PolarHBondContact O-N 3.04Å; L336-N338 VanDerWaalsContact O-N 3.11Å; L336-I339 PolarHBondContact O-N 3.12Å; L336-K345 HydrophobicContact CD2-CD 3.73Å; L336-I347 HydrophobicContact CD1-CD1 3.98Å; L336-V368 HydrophobicContact CD1-CG1 3.34Å; L336-N372 HydrophobicContact CD1-CB 4.3Å; L336-N372 HydrophobicContact CD2-CB 4.22Å
337	A	95.3	Very high	96.6	Very high	77 Å²	77	56.6 Å²	56.6	64%	0.636	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.3	178.2	0	0	0	0	0	113.7	T333 L335	T333-A337 PolarHBondContact O-N 3.21Å; T333-A337 VanDerWaalsContact O-N 3.08Å; L335-A337 VanDerWaalsContact C-N 3.32Å; L335-A337 PolarHBondContact O-N 3.06Å
338	N	93.3	Very high	96.6	Very high	131 Å²	131	55 Å²	55	70%	0.701	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	2.4	179.1	-63.8	-49.1	0	0	0	113.8	S334 L335 L336	S334-N338 PolarHBondContact O-ND2 3.21Å; S334-N338 VanDerWaalsContact O-ND2 3.12Å; L335-N338 PolarHBondContact O-N 3.25Å; L336-N338 PolarHBondContact O-N 3.04Å; L336-N338 VanDerWaalsContact O-N 3.11Å
339	I	93.6	Very high	96.6	Very high	53 Å²	53	52.7 Å²	52.7	27%	0.272	29%	0.293	S	S	.	.	S	Bend	trans	-117.7	137.7	-176.4	-61.5	-60.8	0	0	0	110	F301 L336 K341 S343 K345	F301-I339 HydrophobicContact CZ-CG1 3.95Å; L336-I339 PolarHBondContact O-N 3.12Å; I339-K341 PolarHBondContact O-N 3.11Å; I339-S343 WeakPolarHBondContact CG2-OG 3.26Å; I339-K345 HydrophobicContact CG2-CD 3.9Å; I339-K345 HydrophobicContact CG2-CG 4.39Å
340	P	93.3	Very high	96.6	Very high	95 Å²	95	51.8 Å²	51.8	62%	0.617	29%	0.287	S	S	*	.			trans	-54.2	132	179.5	-27.1	34.8	0	0	0	112.1	D342 S343 K345	P340-D342 VanDerWaalsContact C-N 3.26Å; P340-D342 PolarHBondContact O-N 3.3Å; P340-S343 WeakPolarHBondContact O-CB 3.47Å; P340-S343 PolarHBondContact O-N 2.97Å; P340-S343 VanDerWaalsContact O-N 3.08Å; P340-S343 PolarHBondContact O-OG 2.87Å; P340-K345 PolarHBondContact O-NZ 3.15Å
341	K	88.6	Confident	96.6	Very high	123 Å²	123	43.4 Å²	43.4	54%	0.535	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-37.9	-173.8	-168.4	171.1	-174.2	170.6	0	113.1	I339 K345 A371	I339-K341 PolarHBondContact O-N 3.11Å; K341-K345 PolarHBondContact O-NZ 3.46Å; K341-A371 WeakPolarHBondContact CE-O 3.49Å; K341-A371 PolarHBondContact NZ-O 2.8Å
342	D	91.1	Very high	96.6	Very high	127 Å²	127	41 Å²	41	68%	0.679	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-1.2	-177.4	-58.8	-45.5	0	0	0	114.7	P340 K373	P340-D342 VanDerWaalsContact C-N 3.26Å; P340-D342 PolarHBondContact O-N 3.3Å; D342-K373 IonicContact OD1-NZ 3.8Å; D342-K373 PolarHBondContact OD1-NZ 2.97Å
343	S	96.2	Very high	96.6	Very high	26 Å²	26	42.4 Å²	42.4	18%	0.182	25%	0.247	C	C	.	.	S	Bend	trans	-68.5	146.5	172.5	60.2	0	0	0	0	111.5	I339 P340 K345	I339-S343 WeakPolarHBondContact CG2-OG 3.26Å; P340-S343 WeakPolarHBondContact O-CB 3.47Å; P340-S343 PolarHBondContact O-N 2.97Å; P340-S343 VanDerWaalsContact O-N 3.08Å; P340-S343 PolarHBondContact O-OG 2.87Å; S343-K345 PolarHBondContact O-N 3.39Å; S343-K345 PolarHBondContact O-NZ 3.42Å; S343-K345 PolarHBondContact OG-NZ 3.3Å
344	P	98	Very high	96.4	Very high	50 Å²	50	39.9 Å²	39.9	33%	0.325	23%	0.231	S	C	.	.			trans	-64.7	128.8	175.4	-25	37.5	0	0	0	111.9	I295 P296 L298 T299	I295-P344 HydrophobicContact CG2-CB 3.68Å; I295-P344 HydrophobicContact CG2-CG 4.23Å; P296-P344 WeakPolarHBondContact O-CG 3.23Å; L298-P344 HydrophobicContact CD1-CB 4.03Å; T299-P344 PolarHBondContact N-O 3.01Å
345	K	98.5	Very high	96.3	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.017	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	146.1	-177.1	-70	177.2	-78.9	-62.9	0	110.7	T299 F301 L336 I339 P340 K341 S343 N372 A374 L375	T299-K345 WeakPolarHBondContact O-CA 3.31Å; F301-K345 HydrophobicContact CE2-CB 4.31Å; F301-K345 HydrophobicContact CE2-CD 3.98Å; F301-K345 HydrophobicContact CE2-CG 3.95Å; F301-K345 HydrophobicContact CZ-CD 4.46Å; L336-K345 HydrophobicContact CD2-CD 3.73Å; I339-K345 HydrophobicContact CG2-CD 3.9Å; I339-K345 HydrophobicContact CG2-CG 4.39Å; P340-K345 PolarHBondContact O-NZ 3.15Å; K341-K345 PolarHBondContact O-NZ 3.46Å; S343-K345 PolarHBondContact O-N 3.39Å; S343-K345 PolarHBondContact O-NZ 3.42Å; S343-K345 PolarHBondContact OG-NZ 3.3Å; K345-N372 WeakPolarHBondContact CE-O 3.46Å; K345-A374 HydrophobicContact CB-CB 3.67Å; K345-A374 CarbonylContact O-C 3.58Å; K345-A374 WeakPolarHBondContact O-CA 3.29Å; K345-L375 PolarHBondContact O-N 2.9Å
346	L	98.8	Very high	96	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	135.3	171.9	178.8	152.8	0	0	0	109.4	L288 L291 L298 T299 I300 F301 A348 L375 F377	L288-L346 HydrophobicContact CD2-CD1 4.48Å; L288-L346 HydrophobicContact CD2-CD2 3.86Å; L291-L346 HydrophobicContact CD1-CD1 3.71Å; L298-L346 HydrophobicContact CD1-CB 4.04Å; L298-L346 HydrophobicContact CD2-CB 4.38Å; T299-L346 PolarHBondContact O-N 3.41Å; I300-L346 CarbonylContact C-O 3.52Å; I300-L346 WeakPolarHBondContact CA-O 3.38Å; I300-L346 HydrophobicContact CG1-CB 4.35Å; I300-L346 HydrophobicContact CG1-CD2 4.28Å; I300-L346 HydrophobicContact CG2-CD2 3.82Å; F301-L346 PolarHBondContact N-O 3.37Å; L346-A348 HydrophobicContact CD2-CB 3.85Å; L346-L375 CarbonylContact C-O 3.39Å; L346-L375 VanDerWaalsContact CA-O 3.28Å; L346-L375 WeakPolarHBondContact CA-O 3.29Å; L346-L375 HydrophobicContact CB-CB 4.34Å; L346-L375 HydrophobicContact CD1-CB 4.4Å; L346-L375 HydrophobicContact CG-CB 4.31Å; L346-F377 HydrophobicContact CD1-CB 4.33Å; L346-F377 HydrophobicContact CD2-CB 3.91Å; L346-F377 HydrophobicContact CG-CB 4.27Å
347	I	98.8	Very high	95.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.3	176.4	-62.7	161.5	0	0	0	107.7	F301 Y324 L332 L336 F349 A369 A374 L375 F377	F301-I347 HydrophobicContact CB-CG1 4Å; F301-I347 CarbonylContact O-C 3.58Å; F301-I347 WeakPolarHBondContact O-CA 3.27Å; Y324-I347 HydrophobicContact CE1-CG2 4.3Å; L332-I347 HydrophobicContact CD1-CG1 4.37Å; L332-I347 HydrophobicContact CD1-CG2 4.49Å; L332-I347 HydrophobicContact CD2-CD1 4.29Å; L332-I347 HydrophobicContact CD2-CG2 3.93Å; L336-I347 HydrophobicContact CD1-CD1 3.98Å; I347-F349 HydrophobicContact CG2-CD1 3.9Å; I347-F349 HydrophobicContact CG2-CE1 4.08Å; I347-A369 HydrophobicContact CD1-CB 3.68Å; I347-A374 HydrophobicContact CD1-CB 3.71Å; I347-A374 HydrophobicContact CG1-CB 4.02Å; I347-L375 PolarHBondContact N-O 2.85Å; I347-F377 PolarHBondContact O-N 3.35Å
348	A	98.9	Very high	96	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.9	-175.3	0	0	0	0	0	111.8	L288 I300 F301 D303 N306 I314 L346 F377	L288-A348 HydrophobicContact CD2-CB 4.31Å; I300-A348 HydrophobicContact CG2-CB 4.49Å; F301-A348 PolarHBondContact O-N 3.05Å; D303-A348 PolarHBondContact N-O 3.41Å; D303-A348 VanDerWaalsContact N-O 3.1Å; N306-A348 PolarHBondContact ND2-O 3.4Å; I314-A348 HydrophobicContact CD1-CB 4.42Å; L346-A348 HydrophobicContact CD2-CB 3.85Å; A348-F377 VanDerWaalsContact CA-O 3.31Å; A348-F377 WeakPolarHBondContact CA-O 3.25Å; A348-F377 HydrophobicContact CB-CB 4.21Å; A348-F377 HydrophobicContact CB-CD1 4.16Å
349	F	98.9	Very high	96.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	164.3	179.8	57.4	-83.9	0	0	0	113.7	D303 N306 Y324 I347 C360 L362 L365 L366 F377 V378 D379	D303-F349 HydrophobicContact CB-CB 4.02Å; N306-F349 VanDerWaalsContact OD1-CA 3.29Å; N306-F349 WeakPolarHBondContact OD1-CA 3.46Å; Y324-F349 WeakPolarHBondContact OH-CB 3.12Å; I347-F349 HydrophobicContact CG2-CD1 3.9Å; I347-F349 HydrophobicContact CG2-CE1 4.08Å; F349-C360 HydrophobicContact CD2-CB 4.35Å; F349-L362 HydrophobicContact CE2-CD1 3.7Å; F349-L362 HydrophobicContact CZ-CD1 3.99Å; F349-L365 HydrophobicContact CD1-CD1 4.3Å; F349-L365 HydrophobicContact CD2-CD1 3.69Å; F349-L365 HydrophobicContact CE1-CB 4.08Å; F349-L365 HydrophobicContact CE1-CD1 4.34Å; F349-L365 HydrophobicContact CE2-CB 4.31Å; F349-L365 HydrophobicContact CE2-CD1 3.73Å; F349-L365 HydrophobicContact CG-CD1 3.99Å; F349-L365 HydrophobicContact CZ-CB 3.84Å; F349-L365 HydrophobicContact CZ-CD1 4.06Å; F349-L366 HydrophobicContact CZ-CD2 4.41Å; F349-F377 PolarHBondContact N-O 2.98Å; F349-F377 VanDerWaalsContact N-O 3.09Å; F349-V378 HydrophobicContact CD2-CG1 4.48Å; F349-V378 HydrophobicContact CE1-CG2 3.99Å; F349-V378 HydrophobicContact CE2-CG1 4.05Å; F349-V378 HydrophobicContact CE2-CG2 3.88Å; F349-V378 HydrophobicContact CZ-CG2 3.54Å; F349-V378 WeakPolarHBondContact O-CA 3.31Å; F349-D379 PolarHBondContact O-N 3.3Å
350	E	98.8	Very high	96.5	Very high	10 Å²	10	28.2 Å²	28.2	5%	0.047	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	147.5	170.4	-59.2	179	-144.6	0	0	111	H307 M310 H353 S354 C360 D379	H307-E350 WeakPolarHBondContact CA-OE1 3.42Å; H307-E350 VanDerWaalsContact CB-OE1 3.27Å; H307-E350 WeakPolarHBondContact CB-OE1 3.46Å; H307-E350 PolarHBondContact N-OE1 2.97Å; M310-E350 HydrophobicContact CE-CG 3.45Å; M310-E350 VanDerWaalsContact CE-CG 3.45Å; E350-H353 IonicContact OE1-CD2 3.55Å; E350-H353 IonicContact OE2-CD2 2.69Å; E350-S354 PolarHBondContact OE2-N 3.1Å; E350-S354 VanDerWaalsContact OE2-N 3.15Å; E350-C360 WeakPolarHBondContact O-CB 3.36Å; E350-D379 CarbonylContact C-O 3.51Å; E350-D379 WeakPolarHBondContact CA-O 3.48Å; E350-D379 HydrophobicContact CG-CB 4.11Å
351	T	98.8	Very high	96.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	14%	0.14	C	C	.	.	S	Bend	trans	-78.6	-53.3	169.5	58.8	0	0	0	0	112.4	V359 C360 L362 V378 D379 E380 A383 V394	T351-V359 CarbonylContact O-C 3.52Å; T351-V359 VanDerWaalsContact O-CA 3.24Å; T351-V359 WeakPolarHBondContact O-CA 3.46Å; T351-C360 PolarHBondContact O-N 3.2Å; T351-L362 HydrophobicContact CG2-CD1 4.47Å; T351-V378 HydrophobicContact CG2-CG1 3.33Å; T351-D379 PolarHBondContact N-O 3.24Å; T351-E380 WeakPolarHBondContact CB-OE2 3.45Å; T351-E380 HydrophobicContact CG2-CG 3.89Å; T351-E380 WeakPolarHBondContact CG2-OE2 3.24Å; T351-E380 PolarHBondContact OG1-OE2 3.15Å; T351-A383 WeakPolarHBondContact OG1-CB 3.29Å; T351-V394 HydrophobicContact CG2-CB 4.18Å
352	V	98.6	Very high	97.2	Very high	1 Å²	1	20 Å²	20	1%	0.006	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-109.6	109.2	174.2	178.1	0	0	0	0	107.6	S354 D358 V359 H382 A383 Y387 V394 I497	V352-S354 PolarHBondContact O-N 2.93Å; V352-D358 WeakPolarHBondContact CA-O 3.45Å; V352-V359 HydrophobicContact CG2-CG2 4.2Å; V352-H382 HydrophobicContact CB-CB 3.82Å; V352-H382 HydrophobicContact CG1-CB 3.84Å; V352-H382 WeakPolarHBondContact O-CB 3.36Å; V352-A383 HydrophobicContact CG2-CB 3.83Å; V352-Y387 HydrophobicContact CG2-CD2 4.29Å; V352-Y387 HydrophobicContact CG2-CE2 3.72Å; V352-V394 HydrophobicContact CG2-CG2 3.7Å; V352-I497 HydrophobicContact CG1-CD1 4.08Å
353	H	97.9	Very high	97.5	Very high	29 Å²	29	19 Å²	19	13%	0.134	10%	0.104	C	C	.	.			trans	-68.2	129	-177.2	178.2	-120	0	0	0	111	G305 H326 E350 M355 S356 G357 D358	G305-H353 PolarHBondContact O-CD2 3.1Å; G305-H353 PolarHBondContact O-NE2 3.24Å; G305-H353 VanDerWaalsContact O-NE2 3.09Å; H326-H353 AromaticContact CE1-CG 3.93Å; E350-H353 IonicContact OE1-CD2 3.55Å; E350-H353 IonicContact OE2-CD2 2.69Å; H353-M355 PolarHBondContact O-N 3.35Å; H353-M355 VanDerWaalsContact O-N 3.07Å; H353-S356 WeakPolarHBondContact ND1-CB 3.34Å; H353-S356 PolarHBondContact ND1-N 2.9Å; H353-S356 VanDerWaalsContact ND1-N 3.15Å; H353-S356 PolarHBondContact ND1-OG 3.39Å; H353-G357 PolarHBondContact O-N 3.06Å; H353-D358 HydrophobicContact CB-CB 4.42Å; H353-D358 PolarHBondContact N-O 2.9Å
354	S	93.8	Very high	97.7	Very high	7 Å²	7	21.7 Å²	21.7	5%	0.049	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-30.2	-170.2	66.5	0	0	0	0	115.8	E350 V352 H382 R539	E350-S354 PolarHBondContact OE2-N 3.1Å; E350-S354 VanDerWaalsContact OE2-N 3.15Å; V352-S354 PolarHBondContact O-N 2.93Å; S354-H382 WeakPolarHBondContact CA-NE2 3.11Å; S354-H382 VanDerWaalsContact CB-CD2 3.4Å; S354-H382 WeakPolarHBondContact CB-CD2 3.38Å; S354-H382 WeakPolarHBondContact CB-NE2 3.43Å; S354-R539 PolarHBondContact O-NE 2.97Å; S354-R539 PolarHBondContact O-NH2 3.13Å
355	M	95.2	Very high	97.7	Very high	24 Å²	24	19.3 Å²	19.3	12%	0.118	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-40.1	-170.9	-64.9	-57.1	122.5	0	0	115.3	H353 I526 T530 V531	H353-M355 PolarHBondContact O-N 3.35Å; H353-M355 VanDerWaalsContact O-N 3.07Å; M355-I526 HydrophobicContact SD-CG2 3.86Å; M355-T530 HydrophobicContact CE-CG2 4.14Å; M355-T530 HydrophobicContact CG-CG2 3.97Å; M355-T530 HydrophobicContact SD-CG2 3.64Å; M355-V531 HydrophobicContact CB-CG1 3.91Å; M355-V531 HydrophobicContact CG-CG1 4.01Å
356	S	93.3	Very high	97.7	Very high	13 Å²	13	19.2 Å²	19.2	9%	0.091	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-22.1	179.2	65.7	0	0	0	0	112.6	H353 D358 A493 P499	H353-S356 WeakPolarHBondContact ND1-CB 3.34Å; H353-S356 PolarHBondContact ND1-N 2.9Å; H353-S356 VanDerWaalsContact ND1-N 3.15Å; H353-S356 PolarHBondContact ND1-OG 3.39Å; S356-D358 WeakPolarHBondContact CB-OD2 3.44Å; S356-D358 PolarHBondContact O-N 3.01Å; S356-D358 WeakPolarHBondContact OG-CB 3.24Å; S356-D358 PolarHBondContact OG-N 3.4Å; S356-D358 PolarHBondContact OG-OD2 3.45Å; S356-A493 WeakPolarHBondContact O-CB 3.04Å; S356-P499 VanDerWaalsContact O-CG 3.22Å; S356-P499 WeakPolarHBondContact O-CG 3.26Å
357	G	94.5	Very high	97.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.115	C	C	.	.			trans	76	9.4	-174.1	0	0	0	0	0	113.9	H353 A493 S495	H353-G357 PolarHBondContact O-N 3.06Å; G357-A493 VanDerWaalsContact O-CB 3.25Å; G357-A493 WeakPolarHBondContact O-CB 3.43Å; G357-S495 VanDerWaalsContact C-OG 3.29Å; G357-S495 WeakPolarHBondContact CA-OG 3.29Å; G357-S495 WeakPolarHBondContact O-CB 3.18Å; G357-S495 PolarHBondContact O-N 3.17Å; G357-S495 PolarHBondContact O-OG 2.87Å
358	D	96.8	Very high	97.7	Very high	50 Å²	50	22.5 Å²	22.5	27%	0.267	12%	0.119	S	C	.	.			trans	-63	148.2	173.5	-67.2	-46.2	0	0	0	111.2	H326 V352 H353 S356	H326-D358 IonicContact CD2-OD2 3.61Å; H326-D358 IonicContact NE2-OD2 3.58Å; H326-D358 PolarHBondContact NE2-OD2 3.09Å; V352-D358 WeakPolarHBondContact CA-O 3.45Å; H353-D358 HydrophobicContact CB-CB 4.42Å; H353-D358 PolarHBondContact N-O 2.9Å; S356-D358 WeakPolarHBondContact CB-OD2 3.44Å; S356-D358 PolarHBondContact O-N 3.01Å; S356-D358 WeakPolarHBondContact OG-CB 3.24Å; S356-D358 PolarHBondContact OG-N 3.4Å; S356-D358 PolarHBondContact OG-OD2 3.45Å
359	V	98.4	Very high	97.6	Very high	26 Å²	26	22.6 Å²	22.6	16%	0.158	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-112.2	125.1	168.6	177.7	0	0	0	0	107.9	T351 V352 V394 P494	T351-V359 CarbonylContact O-C 3.52Å; T351-V359 VanDerWaalsContact O-CA 3.24Å; T351-V359 WeakPolarHBondContact O-CA 3.46Å; V352-V359 HydrophobicContact CG2-CG2 4.2Å; V359-V394 HydrophobicContact CG1-CG1 3.99Å; V359-V394 HydrophobicContact CG1-CG2 4.17Å; V359-P494 HydrophobicContact CB-CG 3.93Å; V359-P494 HydrophobicContact CG2-CB 4.48Å; V359-P494 HydrophobicContact CG2-CG 3.81Å
360	C	98.5	Very high	97.5	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.034	14%	0.143	C	C	.	.			trans	-62.7	152.3	-176	80.1	0	0	0	0	112	N327 F349 E350 T351 L362 L365	N327-C360 VanDerWaalsContact OD1-CA 3.29Å; N327-C360 WeakPolarHBondContact OD1-CA 3.33Å; N327-C360 WeakPolarHBondContact OD1-CB 3.47Å; F349-C360 HydrophobicContact CD2-CB 4.35Å; E350-C360 WeakPolarHBondContact O-CB 3.36Å; T351-C360 PolarHBondContact O-N 3.2Å; C360-L362 PolarHBondContact O-N 2.92Å; C360-L365 HydrophobicContact CB-CD1 3.94Å
361	P	98.4	Very high	97.4	Very high	44 Å²	44	29.7 Å²	29.7	29%	0.286	16%	0.163	S	C	.	.			trans	-75.3	66.7	170.1	32.6	-35	0	0	0	110.2	N327 V329 K363 N364 L365	N327-P361 HydrophobicContact CB-CG 4.47Å; V329-P361 HydrophobicContact CG2-CB 4.29Å; V329-P361 HydrophobicContact CG2-CG 3.62Å; P361-K363 PolarHBondContact O-N 3.29Å; P361-N364 HydrophobicContact CB-CB 4.35Å; P361-N364 PolarHBondContact O-N 3.37Å; P361-L365 HydrophobicContact CG-CD1 4.33Å; P361-L365 HydrophobicContact CG-CG 4.28Å; P361-L365 PolarHBondContact O-N 2.87Å
362	L	98.7	Very high	97.4	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-50	-52.8	-166.5	178.1	61	0	0	0	112.9	F349 T351 C360 N364 L365 L366 V394 A395 Q400 I404	F349-L362 HydrophobicContact CE2-CD1 3.7Å; F349-L362 HydrophobicContact CZ-CD1 3.99Å; T351-L362 HydrophobicContact CG2-CD1 4.47Å; C360-L362 PolarHBondContact O-N 2.92Å; L362-N364 VanDerWaalsContact C-N 3.29Å; L362-N364 PolarHBondContact O-N 2.98Å; L362-L365 PolarHBondContact O-N 3.38Å; L362-L366 HydrophobicContact CD1-CD1 3.73Å; L362-L366 HydrophobicContact CD1-CG 4Å; L362-L366 HydrophobicContact CG-CD1 3.85Å; L362-L366 HydrophobicContact CG-CG 4.46Å; L362-L366 VanDerWaalsContact O-CG 3.31Å; L362-L366 WeakPolarHBondContact O-CG 3.28Å; L362-L366 PolarHBondContact O-N 3.17Å; L362-V394 HydrophobicContact CD2-CG1 4.15Å; L362-A395 VanDerWaalsContact CD2-CA 3.48Å; L362-A395 HydrophobicContact CD2-CB 3.86Å; L362-Q400 HydrophobicContact CD2-CB 3.95Å; L362-Q400 HydrophobicContact CD2-CG 4.26Å; L362-Q400 HydrophobicContact CG-CB 4.34Å; L362-Q400 HydrophobicContact CG-CG 4.45Å; L362-I404 HydrophobicContact CD1-CD1 4.4Å
363	K	98.7	Very high	97.3	Very high	104 Å²	104	37.3 Å²	37.3	45%	0.452	20%	0.198	S	C	.	.	H	α-helix	trans	-54.6	-46.9	179.9	-174.9	-171	175.8	-63.8	0	111.5	P361 L366 D367	P361-K363 PolarHBondContact O-N 3.29Å; K363-L366 PolarHBondContact O-N 3.01Å; K363-D367 IonicContact NZ-OD1 2.78Å; K363-D367 PolarHBondContact NZ-OD1 3.33Å; K363-D367 IonicContact NZ-OD2 3.37Å; K363-D367 PolarHBondContact NZ-OD2 3.41Å; K363-D367 WeakPolarHBondContact O-CB 3.37Å; K363-D367 PolarHBondContact O-N 2.71Å; K363-D367 VanDerWaalsContact O-OD1 3.12Å
364	N	98.7	Very high	97.3	Very high	84 Å²	84	36.3 Å²	36.3	45%	0.449	20%	0.195	S	C	.	.	H	α-helix	trans	-69.3	-37.2	-176.7	-64.4	63.5	0	0	0	112.2	V329 P361 L362 D367 V368	V329-N364 HydrophobicContact CG1-CB 4.1Å; V329-N364 HydrophobicContact CG2-CB 3.8Å; P361-N364 HydrophobicContact CB-CB 4.35Å; P361-N364 PolarHBondContact O-N 3.37Å; L362-N364 VanDerWaalsContact C-N 3.29Å; L362-N364 PolarHBondContact O-N 2.98Å; N364-D367 PolarHBondContact O-N 3.28Å; N364-V368 WeakPolarHBondContact O-CG2 3.47Å; N364-V368 PolarHBondContact O-N 2.95Å; N364-V368 VanDerWaalsContact O-N 3.14Å
365	L	98.7	Very high	97.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.7	-41.7	174	-70.9	169.9	0	0	0	111.3	Y324 V329 L332 F349 C360 P361 L362 V368 A369	Y324-L365 HydrophobicContact CE2-CD2 4.36Å; V329-L365 HydrophobicContact CG2-CD2 4.01Å; V329-L365 HydrophobicContact CG2-CG 4.21Å; L332-L365 HydrophobicContact CD2-CD2 3.68Å; F349-L365 HydrophobicContact CD1-CD1 4.3Å; F349-L365 HydrophobicContact CD2-CD1 3.69Å; F349-L365 HydrophobicContact CE1-CB 4.08Å; F349-L365 HydrophobicContact CE1-CD1 4.34Å; F349-L365 HydrophobicContact CE2-CB 4.31Å; F349-L365 HydrophobicContact CE2-CD1 3.73Å; F349-L365 HydrophobicContact CG-CD1 3.99Å; F349-L365 HydrophobicContact CZ-CB 3.84Å; F349-L365 HydrophobicContact CZ-CD1 4.06Å; C360-L365 HydrophobicContact CB-CD1 3.94Å; P361-L365 HydrophobicContact CG-CD1 4.33Å; P361-L365 HydrophobicContact CG-CG 4.28Å; P361-L365 PolarHBondContact O-N 2.87Å; L362-L365 PolarHBondContact O-N 3.38Å; L365-V368 PolarHBondContact O-N 3.15Å; L365-A369 PolarHBondContact O-N 3.04Å
366	L	98.8	Very high	97.7	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-67.9	-39.6	175.9	-65	172.7	0	0	0	112.4	F349 L362 K363 V368 A369 E370 Q400 R403 I404	F349-L366 HydrophobicContact CZ-CD2 4.41Å; L362-L366 HydrophobicContact CD1-CD1 3.73Å; L362-L366 HydrophobicContact CD1-CG 4Å; L362-L366 HydrophobicContact CG-CD1 3.85Å; L362-L366 HydrophobicContact CG-CG 4.46Å; L362-L366 VanDerWaalsContact O-CG 3.31Å; L362-L366 WeakPolarHBondContact O-CG 3.28Å; L362-L366 PolarHBondContact O-N 3.17Å; K363-L366 PolarHBondContact O-N 3.01Å; L366-V368 PolarHBondContact O-N 3.41Å; L366-A369 WeakPolarHBondContact O-CB 3.43Å; L366-A369 PolarHBondContact O-N 2.89Å; L366-A369 VanDerWaalsContact O-N 3.13Å; L366-E370 WeakPolarHBondContact O-CG 3.35Å; L366-E370 PolarHBondContact O-N 3.5Å; L366-Q400 HydrophobicContact CD1-CB 3.84Å; L366-Q400 HydrophobicContact CD1-CG 4.46Å; L366-R403 HydrophobicContact CD1-CB 4.07Å; L366-I404 HydrophobicContact CD1-CG1 4.04Å; L366-I404 HydrophobicContact CD2-CG1 4.04Å
367	D	98.6	Very high	97.9	Very high	56 Å²	56	37.4 Å²	37.4	30%	0.299	20%	0.199	S	C	.	.	H	α-helix	trans	-56.7	-42.2	173.9	-66.2	-14.3	0	0	0	110.5	K363 N364 A371 R403	K363-D367 IonicContact NZ-OD1 2.78Å; K363-D367 PolarHBondContact NZ-OD1 3.33Å; K363-D367 IonicContact NZ-OD2 3.37Å; K363-D367 PolarHBondContact NZ-OD2 3.41Å; K363-D367 WeakPolarHBondContact O-CB 3.37Å; K363-D367 PolarHBondContact O-N 2.71Å; K363-D367 VanDerWaalsContact O-OD1 3.12Å; N364-D367 PolarHBondContact O-N 3.28Å; D367-A371 VanDerWaalsContact O-CB 3.26Å; D367-A371 WeakPolarHBondContact O-CB 3.48Å; D367-A371 PolarHBondContact O-N 2.61Å; D367-R403 IonicContact OD1-CZ 3.62Å; D367-R403 VanDerWaalsContact OD1-CZ 3.29Å; D367-R403 IonicContact OD1-NH1 2.65Å; D367-R403 PolarHBondContact OD1-NH1 3.19Å; D367-R403 IonicContact OD1-NH2 2.58Å; D367-R403 PolarHBondContact OD1-NH2 3.42Å
368	V	98	Very high	98.1	Very high	15 Å²	15	37.4 Å²	37.4	9%	0.091	20%	0.199	C	C	.	.	H	α-helix	trans	-68.6	-40.4	176.4	170.7	0	0	0	0	111.9	V329 L332 T333 L336 N364 L365 L366 N372	V329-V368 HydrophobicContact CG1-CG2 3.66Å; L332-V368 HydrophobicContact CD2-CG1 3.98Å; L332-V368 HydrophobicContact CG-CG1 4Å; T333-V368 WeakPolarHBondContact OG1-CG2 3.42Å; L336-V368 HydrophobicContact CD1-CG1 3.34Å; N364-V368 WeakPolarHBondContact O-CG2 3.47Å; N364-V368 PolarHBondContact O-N 2.95Å; N364-V368 VanDerWaalsContact O-N 3.14Å; L365-V368 PolarHBondContact O-N 3.15Å; L366-V368 PolarHBondContact O-N 3.41Å; V368-N372 WeakPolarHBondContact O-CB 3.32Å; V368-N372 PolarHBondContact O-N 3.31Å; V368-N372 PolarHBondContact O-ND2 2.77Å
369	A	98	Very high	98.2	Very high	3 Å²	3	35.2 Å²	35.2	3%	0.025	19%	0.188	C	C	.	.	H	α-helix	trans	-60	-51.6	177.3	0	0	0	0	0	111.6	I347 L365 L366 N372 K373 A374	I347-A369 HydrophobicContact CD1-CB 3.68Å; L365-A369 PolarHBondContact O-N 3.04Å; L366-A369 WeakPolarHBondContact O-CB 3.43Å; L366-A369 PolarHBondContact O-N 2.89Å; L366-A369 VanDerWaalsContact O-N 3.13Å; A369-N372 CarbonylContact O-C 3.35Å; A369-N372 PolarHBondContact O-N 2.82Å; A369-K373 PolarHBondContact O-N 3.39Å; A369-A374 PolarHBondContact O-N 3.16Å
370	E	97.3	Very high	98.3	Very high	101 Å²	101	34 Å²	34	47%	0.472	18%	0.18	S	C	.	.	H	α-helix	trans	-62.9	-45.2	179.6	-70.7	169.5	-176.2	0	0	112	L366 N372 K373 R403	L366-E370 WeakPolarHBondContact O-CG 3.35Å; L366-E370 PolarHBondContact O-N 3.5Å; E370-N372 PolarHBondContact O-N 3.21Å; E370-N372 VanDerWaalsContact O-N 3.12Å; E370-K373 PolarHBondContact O-N 2.93Å; E370-R403 IonicContact OE1-CZ 3.71Å; E370-R403 IonicContact OE1-NE 3.19Å; E370-R403 PolarHBondContact OE1-NE 3.27Å; E370-R403 IonicContact OE1-NH2 3.99Å; E370-R403 PolarHBondContact OE1-NH2 2.9Å; E370-R403 IonicContact OE2-CZ 3.36Å; E370-R403 IonicContact OE2-NE 3.22Å; E370-R403 IonicContact OE2-NH2 2.78Å; E370-R403 PolarHBondContact OE2-NH2 2.91Å
371	A	96.6	Very high	98.3	Very high	58 Å²	58	34.2 Å²	34.2	48%	0.479	18%	0.181	S	C	.	.	H	α-helix	trans	-58.6	-28.4	178.3	0	0	0	0	0	113.1	K341 D367	K341-A371 WeakPolarHBondContact CE-O 3.49Å; K341-A371 PolarHBondContact NZ-O 2.8Å; D367-A371 VanDerWaalsContact O-CB 3.26Å; D367-A371 WeakPolarHBondContact O-CB 3.48Å; D367-A371 PolarHBondContact O-N 2.61Å
372	N	97.1	Very high	98.3	Very high	30 Å²	30	32.5 Å²	32.5	16%	0.16	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	9.3	-179.7	-68.8	-79.8	0	0	0	113.9	L336 K345 V368 A369 E370 A374	L336-N372 HydrophobicContact CD1-CB 4.3Å; L336-N372 HydrophobicContact CD2-CB 4.22Å; K345-N372 WeakPolarHBondContact CE-O 3.46Å; V368-N372 WeakPolarHBondContact O-CB 3.32Å; V368-N372 PolarHBondContact O-N 3.31Å; V368-N372 PolarHBondContact O-ND2 2.77Å; A369-N372 CarbonylContact O-C 3.35Å; A369-N372 PolarHBondContact O-N 2.82Å; E370-N372 PolarHBondContact O-N 3.21Å; E370-N372 VanDerWaalsContact O-N 3.12Å; N372-A374 PolarHBondContact O-N 2.84Å
373	K	96.6	Very high	98.3	Very high	131 Å²	131	32.4 Å²	32.4	57%	0.57	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	36.8	-177.4	-53.9	178.9	-178.3	175.6	0	112.9	D342 A369 E370	D342-K373 IonicContact OD1-NZ 3.8Å; D342-K373 PolarHBondContact OD1-NZ 2.97Å; A369-K373 PolarHBondContact O-N 3.39Å; E370-K373 PolarHBondContact O-N 2.93Å
374	A	98.2	Very high	98.3	Very high	9 Å²	9	27.5 Å²	27.5	7%	0.074	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-95.7	142.1	178.8	0	0	0	0	0	110.5	K345 I347 A369 N372	K345-A374 HydrophobicContact CB-CB 3.67Å; K345-A374 CarbonylContact O-C 3.58Å; K345-A374 WeakPolarHBondContact O-CA 3.29Å; I347-A374 HydrophobicContact CD1-CB 3.71Å; I347-A374 HydrophobicContact CG1-CB 4.02Å; A369-A374 PolarHBondContact O-N 3.16Å; N372-A374 PolarHBondContact O-N 2.84Å
375	L	98.4	Very high	98.3	Very high	64 Å²	64	23.5 Å²	23.5	34%	0.335	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	141.6	168.1	-65.7	175.5	0	0	0	110	I295 K345 L346 I347 D405	I295-L375 HydrophobicContact CD1-CD1 4.25Å; K345-L375 PolarHBondContact O-N 2.9Å; L346-L375 CarbonylContact C-O 3.39Å; L346-L375 VanDerWaalsContact CA-O 3.28Å; L346-L375 WeakPolarHBondContact CA-O 3.29Å; L346-L375 HydrophobicContact CB-CB 4.34Å; L346-L375 HydrophobicContact CD1-CB 4.4Å; L346-L375 HydrophobicContact CG-CB 4.31Å; I347-L375 PolarHBondContact N-O 2.85Å; L375-D405 WeakPolarHBondContact CA-OD2 3.38Å; L375-D405 HydrophobicContact CD2-CB 4.08Å
376	S	98.8	Very high	98.3	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.014	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	121.2	173.4	55	0	0	0	0	110.7	I404 D405 A406	S376-I404 WeakPolarHBondContact OG-CA 3.46Å; S376-D405 PolarHBondContact N-OD2 3.49Å; S376-D405 PolarHBondContact O-N 3.31Å; S376-D405 PolarHBondContact OG-N 2.65Å; S376-D405 PolarHBondContact OG-OD2 3.28Å; S376-A406 PolarHBondContact O-N 3.03Å
377	F	98.9	Very high	98.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	112.7	170.3	-178.4	-79.7	0	0	0	108.4	V287 L288 M310 L346 I347 A348 F349 A406 T408	V287-F377 HydrophobicContact CB-CE2 3.99Å; V287-F377 HydrophobicContact CG1-CD2 4.11Å; V287-F377 HydrophobicContact CG1-CE2 3.6Å; L288-F377 HydrophobicContact CD1-CD1 4.21Å; L288-F377 HydrophobicContact CD1-CE1 3.83Å; L288-F377 HydrophobicContact CD1-CE2 4.49Å; L288-F377 HydrophobicContact CD1-CZ 3.98Å; L288-F377 HydrophobicContact CD2-CB 4.4Å; L288-F377 HydrophobicContact CD2-CD1 4.14Å; L288-F377 HydrophobicContact CD2-CD2 3.98Å; L288-F377 HydrophobicContact CD2-CE1 4.45Å; L288-F377 HydrophobicContact CD2-CE2 4.29Å; L288-F377 HydrophobicContact CD2-CG 3.9Å; L288-F377 HydrophobicContact CG-CD1 4.37Å; L288-F377 HydrophobicContact CG-CD2 4.21Å; L288-F377 HydrophobicContact CG-CE1 4.18Å; L288-F377 HydrophobicContact CG-CE2 4Å; L288-F377 HydrophobicContact CG-CG 4.4Å; L288-F377 HydrophobicContact CG-CZ 3.98Å; M310-F377 HydrophobicContact CG-CE1 4.12Å; M310-F377 HydrophobicContact SD-CD1 4.15Å; M310-F377 HydrophobicContact SD-CE1 3.78Å; L346-F377 HydrophobicContact CD1-CB 4.33Å; L346-F377 HydrophobicContact CD2-CB 3.91Å; L346-F377 HydrophobicContact CG-CB 4.27Å; I347-F377 PolarHBondContact O-N 3.35Å; A348-F377 VanDerWaalsContact CA-O 3.31Å; A348-F377 WeakPolarHBondContact CA-O 3.25Å; A348-F377 HydrophobicContact CB-CB 4.21Å; A348-F377 HydrophobicContact CB-CD1 4.16Å; F349-F377 PolarHBondContact N-O 2.98Å; F349-F377 VanDerWaalsContact N-O 3.09Å; F377-A406 HydrophobicContact CD2-CB 3.89Å; F377-T408 HydrophobicContact CE1-CG2 4.26Å; F377-T408 HydrophobicContact CE2-CG2 3.68Å; F377-T408 HydrophobicContact CZ-CG2 3.39Å
378	V	98.9	Very high	98.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	118.9	-171	-175	0	0	0	0	109.7	F349 T351 E380 I404 A406 I407 T408	F349-V378 HydrophobicContact CD2-CG1 4.48Å; F349-V378 HydrophobicContact CE1-CG2 3.99Å; F349-V378 HydrophobicContact CE2-CG1 4.05Å; F349-V378 HydrophobicContact CE2-CG2 3.88Å; F349-V378 HydrophobicContact CZ-CG2 3.54Å; F349-V378 WeakPolarHBondContact O-CA 3.31Å; T351-V378 HydrophobicContact CG2-CG1 3.33Å; V378-E380 HydrophobicContact CG1-CG 4.24Å; V378-I404 HydrophobicContact CB-CD1 4.22Å; V378-I404 HydrophobicContact CB-CG2 3.81Å; V378-I404 HydrophobicContact CG1-CD1 4.24Å; V378-I404 HydrophobicContact CG2-CB 4.46Å; V378-I404 HydrophobicContact CG2-CD1 4.11Å; V378-I404 HydrophobicContact CG2-CG1 4.14Å; V378-I404 HydrophobicContact CG2-CG2 3.53Å; V378-A406 PolarHBondContact N-O 3.46Å; V378-I407 WeakPolarHBondContact O-CA 3.46Å; V378-T408 PolarHBondContact O-N 3.03Å; V378-T408 PolarHBondContact O-OG1 2.74Å
379	D	98.9	Very high	98.3	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.027	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	110.6	174.1	-176.6	-29.3	0	0	0	109.8	N284 M310 F349 E350 T351 V381 T408	N284-D379 PolarHBondContact ND2-OD2 3.4Å; M310-D379 HydrophobicContact CE-CB 4.11Å; M310-D379 HydrophobicContact SD-CB 4.01Å; F349-D379 PolarHBondContact O-N 3.3Å; E350-D379 CarbonylContact C-O 3.51Å; E350-D379 WeakPolarHBondContact CA-O 3.48Å; E350-D379 HydrophobicContact CG-CB 4.11Å; T351-D379 PolarHBondContact N-O 3.24Å; D379-V381 WeakPolarHBondContact OD1-CB 3.31Å; D379-V381 WeakPolarHBondContact OD1-CG2 3.15Å; D379-V381 PolarHBondContact OD1-N 2.7Å; D379-T408 WeakPolarHBondContact CA-OG1 3.32Å
380	E	98.8	Very high	98.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.165	C	C	.	.			trans	-102.4	18.2	178	-70.6	-94.3	-150.3	0	0	111.8	T351 V378 H382 A383 V384 V394 A395 I407 T408	T351-E380 WeakPolarHBondContact CB-OE2 3.45Å; T351-E380 HydrophobicContact CG2-CG 3.89Å; T351-E380 WeakPolarHBondContact CG2-OE2 3.24Å; T351-E380 PolarHBondContact OG1-OE2 3.15Å; V378-E380 HydrophobicContact CG1-CG 4.24Å; E380-H382 VanDerWaalsContact C-N 3.27Å; E380-H382 PolarHBondContact O-N 3.05Å; E380-H382 VanDerWaalsContact O-N 3.16Å; E380-A383 HydrophobicContact CB-CB 4.34Å; E380-A383 WeakPolarHBondContact O-CA 3.05Å; E380-A383 PolarHBondContact O-N 2.78Å; E380-A383 WeakPolarHBondContact OE2-CB 3.32Å; E380-V384 HydrophobicContact CB-CG1 3.78Å; E380-V384 WeakPolarHBondContact O-CG1 3.35Å; E380-V384 PolarHBondContact O-N 3.09Å; E380-V394 PolarHBondContact OE1-N 3.41Å; E380-V394 PolarHBondContact OE2-N 3.35Å; E380-A395 WeakPolarHBondContact OE1-CB 3.38Å; E380-A395 PolarHBondContact OE1-N 3.14Å; E380-I407 HydrophobicContact CB-CG2 4.23Å; E380-I407 HydrophobicContact CG-CG2 3.97Å; E380-T408 PolarHBondContact N-O 3.34Å
381	V	98.8	Very high	98.3	Very high	10 Å²	10	24.3 Å²	24.3	6%	0.061	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-38	-173	160.7	0	0	0	0	113.7	C280 D379 A383 T410 K413	C280-V381 HydrophobicContact CB-CG2 3.75Å; C280-V381 WeakPolarHBondContact SG-CG2 3.45Å; D379-V381 WeakPolarHBondContact OD1-CB 3.31Å; D379-V381 WeakPolarHBondContact OD1-CG2 3.15Å; D379-V381 PolarHBondContact OD1-N 2.7Å; V381-A383 VanDerWaalsContact C-N 3.33Å; V381-T410 HydrophobicContact CB-CG2 4.35Å; V381-T410 HydrophobicContact CG1-CG2 3.69Å; V381-T410 HydrophobicContact CG2-CG2 4.5Å; V381-T410 WeakPolarHBondContact O-CG2 3.42Å; V381-K413 HydrophobicContact CG1-CD 3.82Å
382	H	98.7	Very high	98.4	Very high	8 Å²	8	21.6 Å²	21.6	4%	0.037	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	9.3	177.6	-78	-80.5	0	0	0	112.9	Y221 V352 S354 E380 L386 K413 H496 R539	Y221-H382 AromaticContact CE2-ND1 4Å; Y221-H382 AromaticContact CZ-ND1 3.77Å; Y221-H382 PolarHBondContact OH-CE1 2.83Å; Y221-H382 PolarHBondContact OH-ND1 2.65Å; V352-H382 HydrophobicContact CB-CB 3.82Å; V352-H382 HydrophobicContact CG1-CB 3.84Å; V352-H382 WeakPolarHBondContact O-CB 3.36Å; S354-H382 WeakPolarHBondContact CA-NE2 3.11Å; S354-H382 VanDerWaalsContact CB-CD2 3.4Å; S354-H382 WeakPolarHBondContact CB-CD2 3.38Å; S354-H382 WeakPolarHBondContact CB-NE2 3.43Å; E380-H382 VanDerWaalsContact C-N 3.27Å; E380-H382 PolarHBondContact O-N 3.05Å; E380-H382 VanDerWaalsContact O-N 3.16Å; H382-L386 WeakPolarHBondContact O-CD1 3.37Å; H382-K413 PolarHBondContact CD2-NZ 2.73Å; H382-K413 PolarHBondContact CE1-NZ 3.49Å; H382-K413 PolarHBondContact NE2-NZ 2.98Å; H382-H496 PolarHBondContact O-CE1 3.14Å; H382-R539 PolarHBondContact CE1-NH2 2.92Å; H382-R539 VanDerWaalsContact CE1-NH2 3.26Å
383	A	98.8	Very high	98.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-35.8	-176.5	0	0	0	0	0	113.5	T351 V352 E380 V381 G385 L386 Y387 V394	T351-A383 WeakPolarHBondContact OG1-CB 3.29Å; V352-A383 HydrophobicContact CG2-CB 3.83Å; E380-A383 HydrophobicContact CB-CB 4.34Å; E380-A383 WeakPolarHBondContact O-CA 3.05Å; E380-A383 PolarHBondContact O-N 2.78Å; E380-A383 WeakPolarHBondContact OE2-CB 3.32Å; V381-A383 VanDerWaalsContact C-N 3.33Å; A383-G385 PolarHBondContact O-N 3.19Å; A383-L386 WeakPolarHBondContact O-CA 3.36Å; A383-L386 WeakPolarHBondContact O-CB 3.45Å; A383-L386 PolarHBondContact O-N 2.71Å; A383-Y387 HydrophobicContact CB-CD2 3.85Å; A383-Y387 HydrophobicContact CB-CE2 4.39Å; A383-Y387 PolarHBondContact O-N 2.81Å; A383-Y387 VanDerWaalsContact O-N 3.17Å; A383-V394 HydrophobicContact CB-CG2 3.98Å
384	V	98.8	Very high	98.6	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.006	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	137.1	177.3	-65.9	0	0	0	0	110.8	E380 L386 A414 F415 Y421	E380-V384 HydrophobicContact CB-CG1 3.78Å; E380-V384 WeakPolarHBondContact O-CG1 3.35Å; E380-V384 PolarHBondContact O-N 3.09Å; V384-L386 PolarHBondContact O-N 2.76Å; V384-A414 WeakPolarHBondContact O-CB 3.18Å; V384-F415 HydrophobicContact CB-CE2 3.75Å; V384-F415 HydrophobicContact CB-CZ 3.95Å; V384-F415 HydrophobicContact CG2-CD2 4.37Å; V384-F415 HydrophobicContact CG2-CE2 3.75Å; V384-F415 HydrophobicContact CG2-CZ 4.38Å; V384-Y421 WeakPolarHBondContact CG1-OH 3.14Å
385	G	98.7	Very high	98.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	-21.4	-168.8	0	0	0	0	0	115.3	A383 G391 R469	A383-G385 PolarHBondContact O-N 3.19Å; G385-G391 WeakPolarHBondContact CA-O 3.4Å; G385-G391 PolarHBondContact N-O 3.31Å; G385-R469 WeakPolarHBondContact O-CD 2.96Å; G385-R469 WeakPolarHBondContact O-CG 3.37Å; G385-R469 PolarHBondContact O-NH1 2.98Å
386	L	98.8	Very high	98.6	Very high	3 Å²	3	11.7 Å²	11.7	2%	0.016	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-27.1	-164.8	-53.7	-179.8	0	0	0	115.3	Y221 L222 H382 A383 V384 A414 R469 H496	Y221-L386 HydrophobicContact CD2-CD1 3.57Å; Y221-L386 HydrophobicContact CD2-CD2 4.37Å; Y221-L386 HydrophobicContact CD2-CG 4.42Å; Y221-L386 HydrophobicContact CE2-CD1 4.1Å; Y221-L386 HydrophobicContact CG-CD1 3.99Å; Y221-L386 HydrophobicContact CG-CD2 4.38Å; L222-L386 HydrophobicContact CD1-CD2 3.84Å; L222-L386 HydrophobicContact CD2-CD2 3.83Å; L222-L386 HydrophobicContact CG-CD2 3.63Å; H382-L386 WeakPolarHBondContact O-CD1 3.37Å; A383-L386 WeakPolarHBondContact O-CA 3.36Å; A383-L386 WeakPolarHBondContact O-CB 3.45Å; A383-L386 PolarHBondContact O-N 2.71Å; V384-L386 PolarHBondContact O-N 2.76Å; L386-A414 HydrophobicContact CD2-CB 3.71Å; L386-A414 HydrophobicContact CG-CB 3.95Å; L386-R469 WeakPolarHBondContact O-CD 3.31Å; L386-R469 WeakPolarHBondContact O-CG 3.09Å; L386-H496 WeakPolarHBondContact CD1-CE1 3.49Å; L386-H496 WeakPolarHBondContact CD1-NE2 3.31Å
387	Y	98.7	Very high	98.6	Very high	15 Å²	15	17 Å²	17	6%	0.059	9%	0.091	C	C	.	.	S	Bend	trans	-126.2	152	-177.9	-59.2	-89.2	0	0	0	110.9	V352 A383 G391 A392 G393 V394 S495 H496	V352-Y387 HydrophobicContact CG2-CD2 4.29Å; V352-Y387 HydrophobicContact CG2-CE2 3.72Å; A383-Y387 HydrophobicContact CB-CD2 3.85Å; A383-Y387 HydrophobicContact CB-CE2 4.39Å; A383-Y387 PolarHBondContact O-N 2.81Å; A383-Y387 VanDerWaalsContact O-N 3.17Å; Y387-G391 CarbonylContact O-C 3.59Å; Y387-G391 WeakPolarHBondContact O-CA 3.47Å; Y387-A392 PolarHBondContact O-N 2.91Å; Y387-G393 CarbonylContact C-O 3.52Å; Y387-G393 WeakPolarHBondContact CB-O 3.49Å; Y387-G393 PolarHBondContact O-N 2.71Å; Y387-V394 HydrophobicContact CD2-CG2 4.17Å; Y387-V394 HydrophobicContact CG-CG2 4.12Å; Y387-S495 VanDerWaalsContact OH-CA 3.31Å; Y387-S495 WeakPolarHBondContact OH-CA 3.38Å; Y387-S495 WeakPolarHBondContact OH-CB 3.39Å; Y387-H496 AromaticContact CE2-ND1 3.73Å; Y387-H496 AromaticContact CZ-ND1 3.75Å; Y387-H496 PolarHBondContact OH-N 3.17Å; Y387-H496 VanDerWaalsContact OH-N 3.12Å; Y387-H496 PolarHBondContact OH-ND1 3.19Å
388	G	98.3	Very high	98.6	Very high	20 Å²	20	19.8 Å²	19.8	21%	0.206	11%	0.106	C	C	.	.	S	Bend	trans	88.2	169.7	-176.6	0	0	0	0	0	113.6	H390 E396 R469	G388-H390 VanDerWaalsContact C-N 3.32Å; G388-H390 PolarHBondContact O-N 2.94Å; G388-E396 WeakPolarHBondContact CA-OE2 3.37Å; G388-R469 PolarHBondContact O-NE 3.4Å
389	A	97.4	Very high	98.6	Very high	61 Å²	61	21.9 Å²	21.9	50%	0.504	13%	0.127	S	C	.	.	S	Bend	trans	-65.6	-36.6	-175.7	0	0	0	0	0	112	E396 R469	A389-E396 VanDerWaalsContact N-CD 3.34Å; A389-E396 PolarHBondContact N-OE2 3.47Å; A389-E396 VanDerWaalsContact N-OE2 3.13Å; A389-R469 PolarHBondContact O-NH2 3.12Å
390	H	98.5	Very high	98.6	Very high	94 Å²	94	23 Å²	23	44%	0.435	13%	0.132	S	C	.	.	S	Bend	trans	-112.5	3.6	-178.6	-48.9	95.6	0	0	0	112.8	G388 E396 K461	G388-H390 VanDerWaalsContact C-N 3.32Å; G388-H390 PolarHBondContact O-N 2.94Å; H390-E396 WeakPolarHBondContact CB-OE1 3.07Å; H390-E396 IonicContact CE1-OE1 2.71Å; H390-E396 IonicContact CG-OE1 2.74Å; H390-E396 PolarHBondContact N-OE1 3.31Å; H390-E396 PolarHBondContact N-OE2 3.01Å; H390-E396 IonicContact ND1-OE1 3.81Å; H390-E396 PolarHBondContact ND1-OE1 2.97Å; H390-K461 HydrophobicContact CB-CB 4.33Å; H390-K461 HydrophobicContact CB-CG 4.14Å; H390-K461 WeakPolarHBondContact O-CA 3.31Å; H390-K461 WeakPolarHBondContact O-CG 3.44Å
391	G	98.5	Very high	98.5	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	81.7	25.6	180	0	0	0	0	0	112.8	G385 Y387 G393 E396	G385-G391 WeakPolarHBondContact CA-O 3.4Å; G385-G391 PolarHBondContact N-O 3.31Å; Y387-G391 CarbonylContact O-C 3.59Å; Y387-G391 WeakPolarHBondContact O-CA 3.47Å; G391-G393 VanDerWaalsContact C-N 3.28Å; G391-G393 PolarHBondContact O-N 3.42Å; G391-E396 PolarHBondContact N-OE2 3.35Å
392	A	98.7	Very high	98.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.172	C	C	.	.			trans	-79.8	-9.2	178.5	0	0	0	0	0	113.3	L268 H269 Y387 E396 M401	L268-A392 HydrophobicContact CD1-CB 3.73Å; L268-A392 HydrophobicContact CG-CB 3.84Å; L268-A392 WeakPolarHBondContact O-CB 3.39Å; H269-A392 PolarHBondContact CE1-O 3.23Å; Y387-A392 PolarHBondContact O-N 2.91Å; A392-E396 HydrophobicContact CB-CB 3.83Å; A392-E396 HydrophobicContact CB-CG 4.24Å; A392-E396 PolarHBondContact N-OE2 2.98Å; A392-M401 HydrophobicContact CB-SD 3.74Å
393	G	98.8	Very high	98.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.177	C	C	.	.			trans	123.2	-167	172.4	0	0	0	0	0	113.7	Y387 G391 A395 E396 R397	Y387-G393 CarbonylContact C-O 3.52Å; Y387-G393 WeakPolarHBondContact CB-O 3.49Å; Y387-G393 PolarHBondContact O-N 2.71Å; G391-G393 VanDerWaalsContact C-N 3.28Å; G391-G393 PolarHBondContact O-N 3.42Å; G393-A395 VanDerWaalsContact C-N 3.27Å; G393-A395 PolarHBondContact O-N 3.04Å; G393-E396 PolarHBondContact O-N 2.97Å; G393-R397 PolarHBondContact O-N 3.43Å
394	V	98.7	Very high	98.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.9	-34.9	179.1	169.4	0	0	0	0	110.4	T351 V352 V359 L362 E380 A383 Y387 E396 R397 D398	T351-V394 HydrophobicContact CG2-CB 4.18Å; V352-V394 HydrophobicContact CG2-CG2 3.7Å; V359-V394 HydrophobicContact CG1-CG1 3.99Å; V359-V394 HydrophobicContact CG1-CG2 4.17Å; L362-V394 HydrophobicContact CD2-CG1 4.15Å; E380-V394 PolarHBondContact OE1-N 3.41Å; E380-V394 PolarHBondContact OE2-N 3.35Å; A383-V394 HydrophobicContact CB-CG2 3.98Å; Y387-V394 HydrophobicContact CD2-CG2 4.17Å; Y387-V394 HydrophobicContact CG-CG2 4.12Å; V394-E396 VanDerWaalsContact C-N 3.25Å; V394-E396 PolarHBondContact O-N 3.32Å; V394-R397 WeakPolarHBondContact O-CB 3.44Å; V394-R397 PolarHBondContact O-N 2.87Å; V394-D398 PolarHBondContact O-N 3Å
395	A	98.6	Very high	98.4	Very high	1 Å²	1	36 Å²	36	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-60.8	-33.9	175.6	0	0	0	0	0	113	L362 E380 G393 G399 Q400 M401 I404	L362-A395 VanDerWaalsContact CD2-CA 3.48Å; L362-A395 HydrophobicContact CD2-CB 3.86Å; E380-A395 WeakPolarHBondContact OE1-CB 3.38Å; E380-A395 PolarHBondContact OE1-N 3.14Å; G393-A395 VanDerWaalsContact C-N 3.27Å; G393-A395 PolarHBondContact O-N 3.04Å; A395-G399 CarbonylContact O-C 3.59Å; A395-G399 PolarHBondContact O-N 3.3Å; A395-G399 VanDerWaalsContact O-N 3.15Å; A395-Q400 PolarHBondContact O-N 2.73Å; A395-M401 VanDerWaalsContact C-CG 3.48Å; A395-M401 HydrophobicContact CB-CB 4.47Å; A395-M401 HydrophobicContact CB-CG 3.78Å; A395-M401 PolarHBondContact O-N 2.86Å; A395-I404 HydrophobicContact CB-CD1 3.43Å; A395-I404 VanDerWaalsContact CB-CD1 3.43Å
396	E	98.7	Very high	98.5	Very high	26 Å²	26	36.1 Å²	36.1	12%	0.121	20%	0.195	C	C	.	.	H	α-helix	trans	-70.8	-47.9	173	-173.1	-174.7	-160.5	0	0	111.1	G388 A389 H390 G391 A392 G393 V394 D398 G399 M401	G388-E396 WeakPolarHBondContact CA-OE2 3.37Å; A389-E396 VanDerWaalsContact N-CD 3.34Å; A389-E396 PolarHBondContact N-OE2 3.47Å; A389-E396 VanDerWaalsContact N-OE2 3.13Å; H390-E396 WeakPolarHBondContact CB-OE1 3.07Å; H390-E396 IonicContact CE1-OE1 2.71Å; H390-E396 IonicContact CG-OE1 2.74Å; H390-E396 PolarHBondContact N-OE1 3.31Å; H390-E396 PolarHBondContact N-OE2 3.01Å; H390-E396 IonicContact ND1-OE1 3.81Å; H390-E396 PolarHBondContact ND1-OE1 2.97Å; G391-E396 PolarHBondContact N-OE2 3.35Å; A392-E396 HydrophobicContact CB-CB 3.83Å; A392-E396 HydrophobicContact CB-CG 4.24Å; A392-E396 PolarHBondContact N-OE2 2.98Å; G393-E396 PolarHBondContact O-N 2.97Å; V394-E396 VanDerWaalsContact C-N 3.25Å; V394-E396 PolarHBondContact O-N 3.32Å; E396-D398 PolarHBondContact O-N 2.92Å; E396-G399 PolarHBondContact O-N 2.57Å; E396-M401 HydrophobicContact CB-CE 4.13Å; E396-M401 HydrophobicContact CB-CG 4.15Å; E396-M401 HydrophobicContact CB-SD 3.63Å; E396-M401 HydrophobicContact CG-CE 3.91Å; E396-M401 HydrophobicContact CG-SD 4.05Å
397	R	98.4	Very high	98.5	Very high	113 Å²	113	36 Å²	36	43%	0.426	19%	0.194	S	C	.	.	H	α-helix	trans	-51.8	-41.6	177.5	-174.2	-162.4	70.9	-172.4	-1.6	111.7	G393 V394	G393-R397 PolarHBondContact O-N 3.43Å; V394-R397 WeakPolarHBondContact O-CB 3.44Å; V394-R397 PolarHBondContact O-N 2.87Å
398	D	98.4	Very high	98.5	Very high	58 Å²	58	35.3 Å²	35.3	31%	0.31	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	1	-175.3	-63.2	-7.9	0	0	0	113.1	V394 E396 Q400	V394-D398 PolarHBondContact O-N 3Å; E396-D398 PolarHBondContact O-N 2.92Å; D398-Q400 VanDerWaalsContact C-N 3.3Å; D398-Q400 HydrophobicContact CB-CG 3.89Å; D398-Q400 WeakPolarHBondContact O-CG 3.44Å; D398-Q400 PolarHBondContact O-N 3.31Å; D398-Q400 PolarHBondContact O-NE2 3.4Å
399	G	98.3	Very high	98.5	Very high	44 Å²	44	34.3 Å²	34.3	45%	0.454	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	25.3	-178.8	0	0	0	0	0	114.6	A395 E396 H402	A395-G399 CarbonylContact O-C 3.59Å; A395-G399 PolarHBondContact O-N 3.3Å; A395-G399 VanDerWaalsContact O-N 3.15Å; E396-G399 PolarHBondContact O-N 2.57Å; G399-H402 PolarHBondContact O-CE1 2.94Å; G399-H402 PolarHBondContact O-ND1 3.23Å
400	Q	98.5	Very high	98.6	Very high	28 Å²	28	32.1 Å²	32.1	13%	0.131	16%	0.161	C	C	.	.			trans	-105	-1.6	-173.2	-54.9	-54.8	-59.5	0	0	114.6	L362 L366 A395 D398 H402 R403	L362-Q400 HydrophobicContact CD2-CB 3.95Å; L362-Q400 HydrophobicContact CD2-CG 4.26Å; L362-Q400 HydrophobicContact CG-CB 4.34Å; L362-Q400 HydrophobicContact CG-CG 4.45Å; L366-Q400 HydrophobicContact CD1-CB 3.84Å; L366-Q400 HydrophobicContact CD1-CG 4.46Å; A395-Q400 PolarHBondContact O-N 2.73Å; D398-Q400 VanDerWaalsContact C-N 3.3Å; D398-Q400 HydrophobicContact CB-CG 3.89Å; D398-Q400 WeakPolarHBondContact O-CG 3.44Å; D398-Q400 PolarHBondContact O-N 3.31Å; D398-Q400 PolarHBondContact O-NE2 3.4Å; Q400-H402 VanDerWaalsContact C-N 3.25Å; Q400-H402 PolarHBondContact O-N 3.02Å; Q400-H402 VanDerWaalsContact O-N 3.12Å; Q400-R403 WeakPolarHBondContact O-CB 3.26Å; Q400-R403 PolarHBondContact O-N 3.22Å
401	M	98	Very high	98.6	Very high	44 Å²	44	27.6 Å²	27.6	22%	0.217	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-49.9	-42.9	-175.6	-65.2	-170.9	-65	0	0	113.8	K271 A392 A395 E396 R403 I404	K271-M401 WeakPolarHBondContact CE-O 3.4Å; K271-M401 PolarHBondContact NZ-O 3.06Å; A392-M401 HydrophobicContact CB-SD 3.74Å; A395-M401 VanDerWaalsContact C-CG 3.48Å; A395-M401 HydrophobicContact CB-CB 4.47Å; A395-M401 HydrophobicContact CB-CG 3.78Å; A395-M401 PolarHBondContact O-N 2.86Å; E396-M401 HydrophobicContact CB-CE 4.13Å; E396-M401 HydrophobicContact CB-CG 4.15Å; E396-M401 HydrophobicContact CB-SD 3.63Å; E396-M401 HydrophobicContact CG-CE 3.91Å; E396-M401 HydrophobicContact CG-SD 4.05Å; M401-R403 PolarHBondContact O-N 3.23Å; M401-R403 VanDerWaalsContact O-N 3.13Å; M401-I404 PolarHBondContact O-N 3.43Å
402	H	98	Very high	98.5	Very high	148 Å²	148	29.3 Å²	29.3	69%	0.685	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-61.2	-23.6	-176.8	65.8	-81.9	0	0	0	113.7	G399 Q400	G399-H402 PolarHBondContact O-CE1 2.94Å; G399-H402 PolarHBondContact O-ND1 3.23Å; Q400-H402 VanDerWaalsContact C-N 3.25Å; Q400-H402 PolarHBondContact O-N 3.02Å; Q400-H402 VanDerWaalsContact O-N 3.12Å
403	R	98.1	Very high	98.5	Very high	34 Å²	34	31 Å²	31	13%	0.128	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-86.4	-17.1	-177	-58	174.9	68.4	-172.3	3.8	114.2	L366 D367 E370 Q400 M401	L366-R403 HydrophobicContact CD1-CB 4.07Å; D367-R403 IonicContact OD1-CZ 3.62Å; D367-R403 VanDerWaalsContact OD1-CZ 3.29Å; D367-R403 IonicContact OD1-NH1 2.65Å; D367-R403 PolarHBondContact OD1-NH1 3.19Å; D367-R403 IonicContact OD1-NH2 2.58Å; D367-R403 PolarHBondContact OD1-NH2 3.42Å; E370-R403 IonicContact OE1-CZ 3.71Å; E370-R403 IonicContact OE1-NE 3.19Å; E370-R403 PolarHBondContact OE1-NE 3.27Å; E370-R403 IonicContact OE1-NH2 3.99Å; E370-R403 PolarHBondContact OE1-NH2 2.9Å; E370-R403 IonicContact OE2-CZ 3.36Å; E370-R403 IonicContact OE2-NE 3.22Å; E370-R403 IonicContact OE2-NH2 2.78Å; E370-R403 PolarHBondContact OE2-NH2 2.91Å; Q400-R403 WeakPolarHBondContact O-CB 3.26Å; Q400-R403 PolarHBondContact O-N 3.22Å; M401-R403 PolarHBondContact O-N 3.23Å; M401-R403 VanDerWaalsContact O-N 3.13Å
404	I	98.7	Very high	98.5	Very high	2 Å²	2	31 Å²	31	1%	0.01	17%	0.166	C	C	.	.			trans	-84.1	131.8	-174.3	-58	173.1	0	0	0	110.7	K271 L362 L366 S376 V378 A395 M401 I407	K271-I404 VanDerWaalsContact CE-O 3.25Å; K271-I404 WeakPolarHBondContact CE-O 3.4Å; K271-I404 PolarHBondContact NZ-O 3.18Å; L362-I404 HydrophobicContact CD1-CD1 4.4Å; L366-I404 HydrophobicContact CD1-CG1 4.04Å; L366-I404 HydrophobicContact CD2-CG1 4.04Å; S376-I404 WeakPolarHBondContact OG-CA 3.46Å; V378-I404 HydrophobicContact CB-CD1 4.22Å; V378-I404 HydrophobicContact CB-CG2 3.81Å; V378-I404 HydrophobicContact CG1-CD1 4.24Å; V378-I404 HydrophobicContact CG2-CB 4.46Å; V378-I404 HydrophobicContact CG2-CD1 4.11Å; V378-I404 HydrophobicContact CG2-CG1 4.14Å; V378-I404 HydrophobicContact CG2-CG2 3.53Å; A395-I404 HydrophobicContact CB-CD1 3.43Å; A395-I404 VanDerWaalsContact CB-CD1 3.43Å; M401-I404 PolarHBondContact O-N 3.43Å; I404-I407 HydrophobicContact CB-CD1 4.21Å; I404-I407 HydrophobicContact CB-CG1 3.91Å; I404-I407 HydrophobicContact CD1-CD1 4.29Å; I404-I407 HydrophobicContact CD1-CG1 4.21Å; I404-I407 HydrophobicContact CG2-CD1 4.3Å; I404-I407 HydrophobicContact CG2-CG1 3.45Å; I404-I407 VanDerWaalsContact CG2-CG1 3.45Å
405	D	98.8	Very high	98.5	Very high	64 Å²	64	31.1 Å²	31.1	34%	0.342	17%	0.166	S	C	.	.	S	Bend	trans	-80.8	-45	-178.4	-56.9	-76.8	0	0	0	112.3	L375 S376 G424	L375-D405 WeakPolarHBondContact CA-OD2 3.38Å; L375-D405 HydrophobicContact CD2-CB 4.08Å; S376-D405 PolarHBondContact N-OD2 3.49Å; S376-D405 PolarHBondContact O-N 3.31Å; S376-D405 PolarHBondContact OG-N 2.65Å; S376-D405 PolarHBondContact OG-OD2 3.28Å; D405-G424 WeakPolarHBondContact O-CA 3.4Å
406	A	98.8	Very high	98.3	Very high	4 Å²	4	32.1 Å²	32.1	3%	0.033	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	111.8	-178.6	0	0	0	0	0	110.4	S376 F377 V378 L422 L428	S376-A406 PolarHBondContact O-N 3.03Å; F377-A406 HydrophobicContact CD2-CB 3.89Å; V378-A406 PolarHBondContact N-O 3.46Å; A406-L422 HydrophobicContact CB-CD1 3.86Å; A406-L428 HydrophobicContact CB-CD2 3.78Å
407	I	98.9	Very high	98.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.1	173	-60.6	168.7	0	0	0	108.5	H269 V378 E380 I404 L422 A423	H269-I407 HydrophobicContact CB-CD1 4.16Å; V378-I407 WeakPolarHBondContact O-CA 3.46Å; E380-I407 HydrophobicContact CB-CG2 4.23Å; E380-I407 HydrophobicContact CG-CG2 3.97Å; I404-I407 HydrophobicContact CB-CD1 4.21Å; I404-I407 HydrophobicContact CB-CG1 3.91Å; I404-I407 HydrophobicContact CD1-CD1 4.29Å; I404-I407 HydrophobicContact CD1-CG1 4.21Å; I404-I407 HydrophobicContact CG2-CD1 4.3Å; I404-I407 HydrophobicContact CG2-CG1 3.45Å; I404-I407 VanDerWaalsContact CG2-CG1 3.45Å; I407-L422 CarbonylContact O-C 3.09Å; I407-L422 WeakPolarHBondContact O-CA 3.42Å; I407-A423 PolarHBondContact N-O 3.05Å; I407-A423 PolarHBondContact O-N 3.47Å
408	T	98.9	Very high	98.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	148.7	169.5	54.2	0	0	0	0	111.4	N284 F377 V378 D379 E380 Y421 L422	N284-T408 VanDerWaalsContact OD1-CB 3.29Å; N284-T408 WeakPolarHBondContact OD1-CB 3.37Å; N284-T408 WeakPolarHBondContact OD1-CG2 3.26Å; N284-T408 PolarHBondContact OD1-OG1 3.45Å; F377-T408 HydrophobicContact CE1-CG2 4.26Å; F377-T408 HydrophobicContact CE2-CG2 3.68Å; F377-T408 HydrophobicContact CZ-CG2 3.39Å; V378-T408 PolarHBondContact O-N 3.03Å; V378-T408 PolarHBondContact O-OG1 2.74Å; D379-T408 WeakPolarHBondContact CA-OG1 3.32Å; E380-T408 PolarHBondContact N-O 3.34Å; T408-Y421 VanDerWaalsContact CA-O 3.31Å; T408-Y421 WeakPolarHBondContact CA-O 3.43Å; T408-L422 HydrophobicContact CG2-CD1 4.22Å
409	G	98.9	Very high	98.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	168.3	179	0	0	0	0	0	112.5	C280 G420 Y421	C280-G409 VanDerWaalsContact SG-C 3.56Å; C280-G409 PolarHBondContact SG-O 3.02Å; G409-G420 CarbonylContact O-C 3.37Å; G409-G420 VanDerWaalsContact O-CA 3.22Å; G409-G420 WeakPolarHBondContact O-CA 3.33Å; G409-Y421 VanDerWaalsContact C-CE1 3.4Å; G409-Y421 VanDerWaalsContact CA-CZ 3.49Å; G409-Y421 PolarHBondContact N-O 3.31Å; G409-Y421 WeakPolarHBondContact O-CD1 3.38Å; G409-Y421 PolarHBondContact O-N 2.92Å
410	T	98.8	Very high	98.1	Very high	14 Å²	14	26.3 Å²	26.3	9%	0.086	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	148.5	-177.9	-170.6	0	0	0	0	111.2	V381 G412 K413 F415 G419	V381-T410 HydrophobicContact CB-CG2 4.35Å; V381-T410 HydrophobicContact CG1-CG2 3.69Å; V381-T410 HydrophobicContact CG2-CG2 4.5Å; V381-T410 WeakPolarHBondContact O-CG2 3.42Å; T410-G412 PolarHBondContact OG1-N 3.23Å; T410-K413 HydrophobicContact CG2-CB 3.68Å; T410-K413 HydrophobicContact CG2-CD 3.79Å; T410-K413 HydrophobicContact CG2-CG 3.58Å; T410-F415 WeakPolarHBondContact O-CD2 3.27Å; T410-G419 PolarHBondContact OG1-O 3.3Å
411	L	98.8	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-91.3	-12.8	167.4	-53.8	178.9	0	0	0	111.7	L261 L265 F415 A416 S417 G419 Y421 A453 I457	L261-L411 HydrophobicContact CD2-CD1 3.79Å; L265-L411 HydrophobicContact CD2-CD2 4.33Å; L411-F415 HydrophobicContact CD2-CD2 4.11Å; L411-F415 CarbonylContact O-C 3.5Å; L411-A416 PolarHBondContact O-N 3.28Å; L411-S417 CarbonylContact O-C 3.33Å; L411-S417 PolarHBondContact O-N 3.35Å; L411-G419 PolarHBondContact N-O 3.21Å; L411-Y421 HydrophobicContact CD2-CD1 3.92Å; L411-Y421 HydrophobicContact CD2-CE1 4.1Å; L411-Y421 HydrophobicContact CG-CD1 4.4Å; L411-A453 HydrophobicContact CB-CB 4.31Å; L411-A453 HydrophobicContact CD1-CB 3.89Å; L411-A453 HydrophobicContact CD2-CB 4.25Å; L411-A453 HydrophobicContact CG-CB 4.37Å; L411-I457 HydrophobicContact CD2-CD1 4.21Å
412	G	97.9	Very high	98.2	Very high	36 Å²	36	22.9 Å²	22.9	37%	0.371	13%	0.128	S	C	.	.	S	Bend	trans	-98.1	20.8	-171.2	0	0	0	0	0	116.6	T410 S417	T410-G412 PolarHBondContact OG1-N 3.23Å; G412-S417 WeakPolarHBondContact CA-O 3.28Å
413	K	98.5	Very high	98.2	Very high	34 Å²	34	15.9 Å²	15.9	15%	0.148	10%	0.095	C	C	.	.	S	Bend	trans	-123	-104.9	175.2	-64.6	-176.3	-176.1	164.9	0	110.5	N219 Y221 V381 H382 T410 F415 A416	N219-K413 HydrophobicContact CB-CB 4.26Å; N219-K413 HydrophobicContact CB-CD 4.13Å; N219-K413 HydrophobicContact CB-CG 3.77Å; N219-K413 CarbonylContact O-C 3.54Å; N219-K413 WeakPolarHBondContact O-CA 3.43Å; N219-K413 WeakPolarHBondContact O-CB 3.45Å; Y221-K413 HydrophobicContact CD2-CB 4.17Å; Y221-K413 HydrophobicContact CE2-CB 3.92Å; Y221-K413 HydrophobicContact CE2-CD 4.14Å; Y221-K413 HydrophobicContact CE2-CG 4.43Å; V381-K413 HydrophobicContact CG1-CD 3.82Å; H382-K413 PolarHBondContact CD2-NZ 2.73Å; H382-K413 PolarHBondContact CE1-NZ 3.49Å; H382-K413 PolarHBondContact NE2-NZ 2.98Å; T410-K413 HydrophobicContact CG2-CB 3.68Å; T410-K413 HydrophobicContact CG2-CD 3.79Å; T410-K413 HydrophobicContact CG2-CG 3.58Å; K413-F415 VanDerWaalsContact C-N 3.26Å; K413-F415 PolarHBondContact O-N 3.01Å; K413-A416 WeakPolarHBondContact O-CA 3.35Å; K413-A416 PolarHBondContact O-N 3.29Å
414	A	98.5	Very high	98.3	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.008	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-34	179.4	0	0	0	0	0	113.3	Y221 M224 V384 L386 A416 L460	Y221-A414 HydrophobicContact CD2-CB 4.45Å; M224-A414 WeakPolarHBondContact CB-O 3.48Å; M224-A414 WeakPolarHBondContact CG-O 3.28Å; V384-A414 WeakPolarHBondContact O-CB 3.18Å; L386-A414 HydrophobicContact CD2-CB 3.71Å; L386-A414 HydrophobicContact CG-CB 3.95Å; A414-A416 VanDerWaalsContact C-N 3.28Å; A414-L460 HydrophobicContact CB-CD1 4.46Å
415	F	98.4	Very high	98.3	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.009	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-7.7	174.8	-56.4	-49.1	0	0	0	114.3	L268 V384 T410 L411 K413 S417 S456 I457 L460	L268-F415 HydrophobicContact CD2-CE2 4.5Å; L268-F415 HydrophobicContact CD2-CZ 3.88Å; V384-F415 HydrophobicContact CB-CE2 3.75Å; V384-F415 HydrophobicContact CB-CZ 3.95Å; V384-F415 HydrophobicContact CG2-CD2 4.37Å; V384-F415 HydrophobicContact CG2-CE2 3.75Å; V384-F415 HydrophobicContact CG2-CZ 4.38Å; T410-F415 WeakPolarHBondContact O-CD2 3.27Å; L411-F415 HydrophobicContact CD2-CD2 4.11Å; L411-F415 CarbonylContact O-C 3.5Å; K413-F415 VanDerWaalsContact C-N 3.26Å; K413-F415 PolarHBondContact O-N 3.01Å; F415-S417 VanDerWaalsContact C-N 3.26Å; F415-S417 PolarHBondContact O-N 2.7Å; F415-S456 VanDerWaalsContact CA-OG 3.31Å; F415-S456 WeakPolarHBondContact CA-OG 3.4Å; F415-S456 VanDerWaalsContact O-CB 3.24Å; F415-S456 WeakPolarHBondContact O-CB 3.28Å; F415-S456 PolarHBondContact O-OG 3.18Å; F415-I457 HydrophobicContact CD1-CB 4.42Å; F415-I457 HydrophobicContact CD1-CG1 3.56Å; F415-I457 HydrophobicContact CD2-CG1 4.07Å; F415-I457 HydrophobicContact CE1-CB 4.31Å; F415-I457 HydrophobicContact CE1-CG1 3.59Å; F415-I457 HydrophobicContact CE2-CG1 4.08Å; F415-I457 HydrophobicContact CG-CG1 3.84Å; F415-I457 HydrophobicContact CZ-CG1 3.86Å; F415-L460 HydrophobicContact CD1-CD1 3.68Å; F415-L460 HydrophobicContact CE1-CB 4.41Å; F415-L460 HydrophobicContact CE1-CD1 3.84Å
416	A	93.4	Very high	98.3	Very high	22 Å²	22	16 Å²	16	18%	0.182	11%	0.107	C	C	.	.			trans	48.6	32.7	169.1	0	0	0	0	0	118	D220 M224 L411 K413 A414	D220-A416 WeakPolarHBondContact OD1-CB 3.23Å; M224-A416 VanDerWaalsContact C-CB 3.46Å; M224-A416 HydrophobicContact CB-CB 3.57Å; L411-A416 PolarHBondContact O-N 3.28Å; K413-A416 WeakPolarHBondContact O-CA 3.35Å; K413-A416 PolarHBondContact O-N 3.29Å; A414-A416 VanDerWaalsContact C-N 3.28Å
417	S	95.4	Very high	98.2	Very high	28 Å²	28	22.6 Å²	22.6	20%	0.196	14%	0.137	C	C	.	.	S	Bend	trans	-111.7	-139.2	169.2	-173.8	0	0	0	0	110.2	L411 G412 F415 S449	L411-S417 CarbonylContact O-C 3.33Å; L411-S417 PolarHBondContact O-N 3.35Å; G412-S417 WeakPolarHBondContact CA-O 3.28Å; F415-S417 VanDerWaalsContact C-N 3.26Å; F415-S417 PolarHBondContact O-N 2.7Å; S417-S449 PolarHBondContact OG-O 3.36Å
418	I	98	Very high	98.2	Very high	90 Å²	90	23.9 Å²	23.9	46%	0.462	14%	0.143	S	C	.	.	S	Bend	trans	-141.5	142.8	172.2	-173.9	169	0	0	0	109.6	L445	I418-L445 HydrophobicContact CG2-CD2 4.26Å; I418-L445 WeakPolarHBondContact O-CD1 3.39Å
419	G	98.6	Very high	98.2	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.021	15%	0.146	C	C	.	.			trans	135.2	172.1	-179.2	0	0	0	0	0	112.9	F277 T278 T410 L411	F277-G419 WeakPolarHBondContact O-CA 3.43Å; T278-G419 WeakPolarHBondContact O-CA 3.49Å; T410-G419 PolarHBondContact OG1-O 3.3Å; L411-G419 PolarHBondContact N-O 3.21Å
420	G	98.8	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	172.8	166.3	0	0	0	0	0	110	F277 G409	F277-G420 PolarHBondContact N-O 2.88Å; F277-G420 PolarHBondContact O-N 3.4Å; G409-G420 CarbonylContact O-C 3.37Å; G409-G420 VanDerWaalsContact O-CA 3.22Å; G409-G420 WeakPolarHBondContact O-CA 3.33Å
421	Y	98.9	Very high	98.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	162.4	-179	62.3	-92.8	0	0	0	112.5	L265 H269 L275 V384 T408 G409 L411	L265-Y421 HydrophobicContact CD1-CD1 3.84Å; L265-Y421 HydrophobicContact CD1-CD2 4.3Å; L265-Y421 HydrophobicContact CD1-CG 3.69Å; L265-Y421 HydrophobicContact CD2-CD1 3.67Å; L265-Y421 HydrophobicContact CD2-CD2 4.18Å; L265-Y421 HydrophobicContact CD2-CE1 3.54Å; L265-Y421 HydrophobicContact CD2-CE2 4.09Å; L265-Y421 HydrophobicContact CD2-CG 4Å; L265-Y421 HydrophobicContact CG-CD1 4.4Å; L265-Y421 HydrophobicContact CG-CG 4.39Å; H269-Y421 AromaticContact CD2-CE2 3.79Å; H269-Y421 AromaticContact NE2-CE2 3.46Å; H269-Y421 WeakPolarHBondContact NE2-CE2 3.35Å; H269-Y421 AromaticContact NE2-CZ 3.54Å; H269-Y421 PolarHBondContact NE2-OH 2.89Å; L275-Y421 CarbonylContact O-C 3.32Å; L275-Y421 WeakPolarHBondContact O-CA 3.48Å; L275-Y421 WeakPolarHBondContact O-CB 3.4Å; V384-Y421 WeakPolarHBondContact CG1-OH 3.14Å; T408-Y421 VanDerWaalsContact CA-O 3.31Å; T408-Y421 WeakPolarHBondContact CA-O 3.43Å; G409-Y421 VanDerWaalsContact C-CE1 3.4Å; G409-Y421 VanDerWaalsContact CA-CZ 3.49Å; G409-Y421 PolarHBondContact N-O 3.31Å; G409-Y421 WeakPolarHBondContact O-CD1 3.38Å; G409-Y421 PolarHBondContact O-N 2.92Å; L411-Y421 HydrophobicContact CD2-CD1 3.92Å; L411-Y421 HydrophobicContact CD2-CE1 4.1Å; L411-Y421 HydrophobicContact CG-CD1 4.4Å
422	L	98.9	Very high	98.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137.1	163.8	169.3	67.8	0	0	0	108	A274 L275 F277 V287 A406 I407 T408 L428 V429 I432	A274-L422 CarbonylContact C-O 3.51Å; A274-L422 WeakPolarHBondContact CA-O 3.35Å; A274-L422 WeakPolarHBondContact CB-O 3.43Å; L275-L422 PolarHBondContact N-O 3.28Å; L275-L422 PolarHBondContact O-N 3.43Å; F277-L422 HydrophobicContact CE2-CB 4.12Å; V287-L422 HydrophobicContact CG1-CD1 4.42Å; V287-L422 HydrophobicContact CG1-CD2 4.34Å; V287-L422 HydrophobicContact CG2-CB 4.26Å; V287-L422 HydrophobicContact CG2-CD1 4.48Å; V287-L422 HydrophobicContact CG2-CD2 3.85Å; V287-L422 HydrophobicContact CG2-CG 4.42Å; A406-L422 HydrophobicContact CB-CD1 3.86Å; I407-L422 CarbonylContact O-C 3.09Å; I407-L422 WeakPolarHBondContact O-CA 3.42Å; T408-L422 HydrophobicContact CG2-CD1 4.22Å; L422-L428 HydrophobicContact CD1-CD2 4.47Å; L422-L428 HydrophobicContact CD2-CG 4.32Å; L422-V429 HydrophobicContact CD2-CG2 4.25Å; L422-V429 HydrophobicContact CG-CG2 4.36Å; L422-I432 HydrophobicContact CD2-CB 4.13Å; L422-I432 HydrophobicContact CD2-CG1 3.84Å; L422-I432 HydrophobicContact CD2-CG2 4.17Å
423	A	98.9	Very high	98.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.4	166	0	0	0	0	0	109.5	H269 K271 A273 A274 I407	H269-A423 HydrophobicContact CB-CB 4.05Å; K271-A423 HydrophobicContact CB-CB 4.22Å; K271-A423 HydrophobicContact CG-CB 4.15Å; A273-A423 WeakPolarHBondContact O-CA 3.47Å; A274-A423 HydrophobicContact CB-CB 4.13Å; I407-A423 PolarHBondContact N-O 3.05Å; I407-A423 PolarHBondContact O-N 3.47Å
424	G	98.7	Very high	98.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178	-161.3	-173.6	0	0	0	0	0	112.5	P272 A273 D405	P272-G424 WeakPolarHBondContact CD-O 3.39Å; A273-G424 PolarHBondContact N-O 3.02Å; A273-G424 PolarHBondContact O-N 2.87Å; D405-G424 WeakPolarHBondContact O-CA 3.4Å
425	S	98.7	Very high	98.3	Very high	47 Å²	47	39.8 Å²	39.8	33%	0.329	21%	0.208	S	C	.	.			trans	-64.9	155.5	173.4	79.2	0	0	0	0	111.6	E427 L428 V429	S425-E427 WeakPolarHBondContact CB-OE2 3.27Å; S425-E427 PolarHBondContact O-N 3.26Å; S425-E427 PolarHBondContact OG-OE2 3.07Å; S425-L428 PolarHBondContact O-N 3.18Å; S425-L428 WeakPolarHBondContact OG-CB 3.44Å; S425-L428 PolarHBondContact OG-N 3.15Å; S425-L428 VanDerWaalsContact OG-N 3.13Å; S425-V429 WeakPolarHBondContact O-CB 3.49Å; S425-V429 WeakPolarHBondContact O-CG2 3.19Å; S425-V429 PolarHBondContact O-N 3.2Å
426	S	98.7	Very high	98.3	Very high	57 Å²	57	39.7 Å²	39.7	40%	0.399	21%	0.207	S	C	.	.	H	α-helix	trans	-57.7	-40.7	177	-59	0	0	0	0	111.3	P272 V429 D430	P272-S426 WeakPolarHBondContact CB-OG 3.19Å; S426-V429 PolarHBondContact O-N 3.13Å; S426-D430 WeakPolarHBondContact O-CB 3.33Å; S426-D430 PolarHBondContact O-N 3.32Å
427	E	98.6	Very high	98.5	Very high	141 Å²	141	42 Å²	42	66%	0.659	22%	0.222	S	C	*	.	H	α-helix	trans	-66.4	-42.6	179.2	-59.7	76.2	-168.1	0	0	112.1	S425 M431	S425-E427 WeakPolarHBondContact CB-OE2 3.27Å; S425-E427 PolarHBondContact O-N 3.26Å; S425-E427 PolarHBondContact OG-OE2 3.07Å; E427-M431 VanDerWaalsContact O-CB 3.28Å; E427-M431 WeakPolarHBondContact O-CB 3.47Å; E427-M431 PolarHBondContact O-N 3.24Å
428	L	98.7	Very high	98.6	Very high	27 Å²	27	41.9 Å²	41.9	14%	0.141	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-52.5	176.4	170.3	63.1	0	0	0	110	L291 A406 L422 S425 D430 M431 I432	L291-L428 HydrophobicContact CD2-CD1 3.81Å; A406-L428 HydrophobicContact CB-CD2 3.78Å; L422-L428 HydrophobicContact CD1-CD2 4.47Å; L422-L428 HydrophobicContact CD2-CG 4.32Å; S425-L428 PolarHBondContact O-N 3.18Å; S425-L428 WeakPolarHBondContact OG-CB 3.44Å; S425-L428 PolarHBondContact OG-N 3.15Å; S425-L428 VanDerWaalsContact OG-N 3.13Å; L428-D430 VanDerWaalsContact C-N 3.3Å; L428-D430 PolarHBondContact O-N 2.51Å; L428-M431 HydrophobicContact CD1-CE 4.46Å; L428-M431 PolarHBondContact O-N 3.12Å; L428-I432 HydrophobicContact CD1-CG1 4.14Å; L428-I432 VanDerWaalsContact O-CG1 3.3Å; L428-I432 WeakPolarHBondContact O-CG1 3.17Å; L428-I432 PolarHBondContact O-N 2.95Å
429	V	98.8	Very high	98.6	Very high	10 Å²	10	38.3 Å²	38.3	6%	0.061	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-43.4	-179.1	164.4	0	0	0	0	110.8	A273 L275 L422 S425 S426 I432 R433	A273-V429 HydrophobicContact CB-CB 3.82Å; A273-V429 HydrophobicContact CB-CG1 3.87Å; A273-V429 HydrophobicContact CB-CG2 3.89Å; L275-V429 HydrophobicContact CB-CG1 3.96Å; L422-V429 HydrophobicContact CD2-CG2 4.25Å; L422-V429 HydrophobicContact CG-CG2 4.36Å; S425-V429 WeakPolarHBondContact O-CB 3.49Å; S425-V429 WeakPolarHBondContact O-CG2 3.19Å; S425-V429 PolarHBondContact O-N 3.2Å; S426-V429 PolarHBondContact O-N 3.13Å; V429-I432 PolarHBondContact O-N 3.2Å; V429-R433 VanDerWaalsContact O-CB 3.29Å; V429-R433 WeakPolarHBondContact O-CB 3.48Å; V429-R433 PolarHBondContact O-N 3.34Å
430	D	98.7	Very high	98.6	Very high	78 Å²	78	40.6 Å²	40.6	42%	0.417	22%	0.218	S	C	.	.	H	α-helix	trans	-70.1	-36.8	-178.2	-156.3	50.1	0	0	0	112.9	S426 L428 R433 S434	S426-D430 WeakPolarHBondContact O-CB 3.33Å; S426-D430 PolarHBondContact O-N 3.32Å; L428-D430 VanDerWaalsContact C-N 3.3Å; L428-D430 PolarHBondContact O-N 2.51Å; D430-R433 PolarHBondContact O-N 2.9Å; D430-R433 IonicContact OD1-CZ 3.07Å; D430-R433 IonicContact OD1-NE 2.75Å; D430-R433 PolarHBondContact OD1-NE 3.17Å; D430-R433 IonicContact OD1-NH2 2.61Å; D430-R433 PolarHBondContact OD1-NH2 3.47Å; D430-R433 IonicContact OD2-NH2 3.54Å; D430-S434 VanDerWaalsContact O-CB 3.26Å; D430-S434 WeakPolarHBondContact O-CB 3.46Å; D430-S434 PolarHBondContact O-N 2.94Å; D430-S434 PolarHBondContact O-OG 2.9Å
431	M	98.7	Very high	98.6	Very high	50 Å²	50	48.4 Å²	48.4	25%	0.246	25%	0.252	C	S	.	.	H	α-helix	trans	-61.5	-48.1	171.4	-173.9	-149.5	65.9	0	0	110.4	T290 L291 E427 L428 S434 Y435	T290-M431 HydrophobicContact CG2-CE 4.18Å; L291-M431 HydrophobicContact CD2-CE 3.7Å; L291-M431 HydrophobicContact CG-CE 4.45Å; E427-M431 VanDerWaalsContact O-CB 3.28Å; E427-M431 WeakPolarHBondContact O-CB 3.47Å; E427-M431 PolarHBondContact O-N 3.24Å; L428-M431 HydrophobicContact CD1-CE 4.46Å; L428-M431 PolarHBondContact O-N 3.12Å; M431-S434 PolarHBondContact O-N 2.86Å; M431-Y435 HydrophobicContact CG-CD2 3.97Å; M431-Y435 HydrophobicContact CG-CE2 4.48Å; M431-Y435 WeakPolarHBondContact O-CB 3.4Å; M431-Y435 VanDerWaalsContact O-CD2 3.31Å; M431-Y435 WeakPolarHBondContact O-CD2 3.45Å; M431-Y435 PolarHBondContact O-N 3.13Å
432	I	98.8	Very high	98.5	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.8	-48.4	177.9	-67	-59.2	0	0	0	110.9	L275 F277 V287 T290 L291 L422 L428 V429 S434 Y435 A436	L275-I432 HydrophobicContact CD2-CB 4.45Å; L275-I432 HydrophobicContact CD2-CG2 3.84Å; F277-I432 HydrophobicContact CZ-CG2 3.7Å; V287-I432 HydrophobicContact CB-CD1 4.35Å; V287-I432 HydrophobicContact CG1-CD1 4.05Å; V287-I432 HydrophobicContact CG1-CG1 4.36Å; V287-I432 HydrophobicContact CG2-CD1 4.34Å; V287-I432 HydrophobicContact CG2-CG1 4.35Å; V287-I432 HydrophobicContact CG2-CG2 3.89Å; T290-I432 HydrophobicContact CG2-CD1 3.93Å; L291-I432 HydrophobicContact CG-CD1 4.34Å; L422-I432 HydrophobicContact CD2-CB 4.13Å; L422-I432 HydrophobicContact CD2-CG1 3.84Å; L422-I432 HydrophobicContact CD2-CG2 4.17Å; L428-I432 HydrophobicContact CD1-CG1 4.14Å; L428-I432 VanDerWaalsContact O-CG1 3.3Å; L428-I432 WeakPolarHBondContact O-CG1 3.17Å; L428-I432 PolarHBondContact O-N 2.95Å; V429-I432 PolarHBondContact O-N 3.2Å; I432-S434 PolarHBondContact O-N 2.87Å; I432-S434 VanDerWaalsContact O-N 3.15Å; I432-Y435 PolarHBondContact O-N 3.11Å; I432-A436 HydrophobicContact CG2-CB 3.98Å; I432-A436 WeakPolarHBondContact O-CB 3.4Å; I432-A436 PolarHBondContact O-N 2.87Å
433	R	98.7	Very high	98.5	Very high	102 Å²	102	54.9 Å²	54.9	39%	0.385	29%	0.292	S	S	.	.	H	α-helix	trans	-53.2	-35.7	176.3	-173.8	-172.4	64.8	66.8	1.7	112.5	L275 V429 D430 F439	L275-R433 HydrophobicContact CD1-CB 4.01Å; L275-R433 HydrophobicContact CD1-CG 3.91Å; L275-R433 HydrophobicContact CD2-CB 3.9Å; V429-R433 VanDerWaalsContact O-CB 3.29Å; V429-R433 WeakPolarHBondContact O-CB 3.48Å; V429-R433 PolarHBondContact O-N 3.34Å; D430-R433 PolarHBondContact O-N 2.9Å; D430-R433 IonicContact OD1-CZ 3.07Å; D430-R433 IonicContact OD1-NE 2.75Å; D430-R433 PolarHBondContact OD1-NE 3.17Å; D430-R433 IonicContact OD1-NH2 2.61Å; D430-R433 PolarHBondContact OD1-NH2 3.47Å; D430-R433 IonicContact OD2-NH2 3.54Å; R433-F439 HydrophobicContact CB-CE1 4.28Å; R433-F439 HydrophobicContact CG-CD1 4.33Å; R433-F439 HydrophobicContact CG-CE1 3.52Å; R433-F439 HydrophobicContact CG-CZ 3.88Å; R433-F439 WeakPolarHBondContact O-CD1 3.28Å
434	S	98.7	Very high	98.5	Very high	50 Å²	50	55.4 Å²	55.4	35%	0.35	30%	0.296	S	S	.	.	H	α-helix	trans	-89.6	-19.9	-174.1	-57	0	0	0	0	114.5	D430 M431 I432 I440	D430-S434 VanDerWaalsContact O-CB 3.26Å; D430-S434 WeakPolarHBondContact O-CB 3.46Å; D430-S434 PolarHBondContact O-N 2.94Å; D430-S434 PolarHBondContact O-OG 2.9Å; M431-S434 PolarHBondContact O-N 2.86Å; I432-S434 PolarHBondContact O-N 2.87Å; I432-S434 VanDerWaalsContact O-N 3.15Å; S434-I440 WeakPolarHBondContact O-CD1 3.46Å
435	Y	98.6	Very high	98.4	Very high	129 Å²	129	56 Å²	56	51%	0.506	30%	0.299	S	S	.	.	H	α-helix	trans	-123	-21.5	-174	-72.4	-72.4	0	0	0	115.4	R294 M431 I432 S437	R294-Y435 PolarHBondContact NH2-OH 3.14Å; M431-Y435 HydrophobicContact CG-CD2 3.97Å; M431-Y435 HydrophobicContact CG-CE2 4.48Å; M431-Y435 WeakPolarHBondContact O-CB 3.4Å; M431-Y435 VanDerWaalsContact O-CD2 3.31Å; M431-Y435 WeakPolarHBondContact O-CD2 3.45Å; M431-Y435 PolarHBondContact O-N 3.13Å; I432-Y435 PolarHBondContact O-N 3.11Å; Y435-S437 PolarHBondContact O-N 2.93Å; Y435-S437 VanDerWaalsContact O-N 3.16Å
436	A	98.5	Very high	98.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.295	C	S	.	.			trans	-73.4	109.2	-175.5	0	0	0	0	0	111.5	A286 I432 G438 F439 I440	A286-A436 HydrophobicContact CB-CB 4.13Å; I432-A436 HydrophobicContact CG2-CB 3.98Å; I432-A436 WeakPolarHBondContact O-CB 3.4Å; I432-A436 PolarHBondContact O-N 2.87Å; A436-G438 VanDerWaalsContact C-N 3.29Å; A436-G438 PolarHBondContact O-N 2.64Å; A436-F439 HydrophobicContact CB-CB 4.07Å; A436-F439 WeakPolarHBondContact O-CB 3.33Å; A436-F439 PolarHBondContact O-N 3.02Å; A436-I440 WeakPolarHBondContact O-CG1 3.2Å; A436-I440 PolarHBondContact O-N 3.27Å
437	S	97.7	Very high	98.4	Very high	71 Å²	71	53.3 Å²	53.3	50%	0.497	28%	0.279	S	S	.	.	H	α-helix	trans	-58.5	-39.8	179.7	58	0	0	0	0	112.8	Y435 F439 I440 F441	Y435-S437 PolarHBondContact O-N 2.93Å; Y435-S437 VanDerWaalsContact O-N 3.16Å; S437-F439 PolarHBondContact O-N 3.08Å; S437-I440 PolarHBondContact O-N 2.83Å; S437-F441 PolarHBondContact O-N 2.85Å
438	G	97	Very high	98.4	Very high	26 Å²	26	48.2 Å²	48.2	27%	0.268	26%	0.255	S	S	.	.	H	α-helix	trans	-64.2	-14.2	175.7	0	0	0	0	0	114.8	V282 A436 T442	V282-G438 WeakPolarHBondContact CG1-O 3.45Å; A436-G438 VanDerWaalsContact C-N 3.29Å; A436-G438 PolarHBondContact O-N 2.64Å; G438-T442 WeakPolarHBondContact O-CG2 3.43Å
439	F	98.7	Very high	98.4	Very high	15 Å²	15	47.5 Å²	47.5	7%	0.066	25%	0.252	C	S	.	.	H	α-helix	trans	-94.7	-46.2	170.4	174.3	-98.8	0	0	0	112.1	R249 L275 V276 F277 R433 A436 S437	R249-F439 HydrophobicContact CB-CE1 4.47Å; R249-F439 HydrophobicContact CB-CZ 4.14Å; R249-F439 HydrophobicContact CG-CE1 4.41Å; R249-F439 HydrophobicContact CG-CE2 3.99Å; R249-F439 HydrophobicContact CG-CZ 3.71Å; L275-F439 HydrophobicContact CD1-CD2 4.34Å; L275-F439 HydrophobicContact CD1-CE1 4.44Å; L275-F439 HydrophobicContact CD1-CE2 3.55Å; L275-F439 HydrophobicContact CD1-CZ 3.62Å; L275-F439 HydrophobicContact CD2-CD2 4Å; L275-F439 HydrophobicContact CD2-CE2 4.04Å; L275-F439 HydrophobicContact CD2-CG 4.33Å; L275-F439 HydrophobicContact CD2-CZ 4.43Å; L275-F439 HydrophobicContact CG-CD2 4.08Å; L275-F439 HydrophobicContact CG-CE2 3.74Å; L275-F439 HydrophobicContact CG-CZ 4.26Å; V276-F439 WeakPolarHBondContact O-CE2 3.48Å; F277-F439 HydrophobicContact CD1-CB 4.1Å; F277-F439 HydrophobicContact CD1-CD2 4.29Å; F277-F439 HydrophobicContact CE1-CB 3.7Å; F277-F439 HydrophobicContact CE1-CD2 4.25Å; F277-F439 HydrophobicContact CE1-CG 4.39Å; F277-F439 HydrophobicContact CZ-CB 4.5Å; R433-F439 HydrophobicContact CB-CE1 4.28Å; R433-F439 HydrophobicContact CG-CD1 4.33Å; R433-F439 HydrophobicContact CG-CE1 3.52Å; R433-F439 HydrophobicContact CG-CZ 3.88Å; R433-F439 WeakPolarHBondContact O-CD1 3.28Å; A436-F439 HydrophobicContact CB-CB 4.07Å; A436-F439 WeakPolarHBondContact O-CB 3.33Å; A436-F439 PolarHBondContact O-N 3.02Å; S437-F439 PolarHBondContact O-N 3.08Å
440	I	98.5	Very high	98.4	Very high	50 Å²	50	47 Å²	47	26%	0.256	25%	0.25	S	C	.	.	H	α-helix	trans	-73.7	-43.3	-169.6	-63.6	168	0	0	0	112.4	S434 A436 S437 T442	S434-I440 WeakPolarHBondContact O-CD1 3.46Å; A436-I440 WeakPolarHBondContact O-CG1 3.2Å; A436-I440 PolarHBondContact O-N 3.27Å; S437-I440 PolarHBondContact O-N 2.83Å; I440-T442 PolarHBondContact O-N 2.71Å
441	F	98	Very high	98.4	Very high	164 Å²	164	43.8 Å²	43.8	72%	0.719	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.4	38.9	-167.4	-57.8	-70.7	0	0	0	113	S437	S437-F441 PolarHBondContact O-N 2.85Å
442	T	98.2	Very high	98.4	Very high	53 Å²	53	41.9 Å²	41.9	33%	0.325	23%	0.225	S	C	.	.	S	Bend	trans	-138.5	150.2	175.9	-170.3	0	0	0	0	111.2	T248 T278 G438 I440 S444	T248-T442 WeakPolarHBondContact CA-O 3.45Å; T248-T442 WeakPolarHBondContact CB-O 3.49Å; T248-T442 WeakPolarHBondContact CG2-O 3.25Å; T278-T442 HydrophobicContact CG2-CG2 3.98Å; G438-T442 WeakPolarHBondContact O-CG2 3.43Å; I440-T442 PolarHBondContact O-N 2.71Å; T442-S444 PolarHBondContact O-N 2.79Å
443	T	98.3	Very high	98.4	Very high	82 Å²	82	41.9 Å²	41.9	50%	0.503	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-60.4	135.4	170.3	-54.8	0	0	0	0	109.2	G247	G247-T443 WeakPolarHBondContact O-CA 3.24Å
444	S	98.1	Very high	98.3	Very high	12 Å²	12	38.3 Å²	38.3	8%	0.084	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-70	166.3	179.2	69.4	0	0	0	0	111.9	S245 G247 G253 H258 T442	S245-S444 WeakPolarHBondContact CB-OG 3.1Å; S245-S444 PolarHBondContact OG-O 3.1Å; S245-S444 VanDerWaalsContact OG-O 3.05Å; S245-S444 PolarHBondContact OG-OG 3.26Å; G247-S444 PolarHBondContact O-N 3.38Å; G247-S444 PolarHBondContact O-OG 3.22Å; G253-S444 WeakPolarHBondContact CA-OG 3.29Å; G253-S444 WeakPolarHBondContact O-CB 3.41Å; G253-S444 PolarHBondContact O-OG 2.79Å; H258-S444 WeakPolarHBondContact NE2-CB 3.43Å; H258-S444 PolarHBondContact NE2-OG 3.36Å; T442-S444 PolarHBondContact O-N 2.79Å
445	L	98.4	Very high	98.3	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.063	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-63.6	147.8	-178.7	-76.9	176.1	0	0	0	111.8	V276 I418 L450	V276-L445 HydrophobicContact CG1-CD1 3.67Å; I418-L445 HydrophobicContact CG2-CD2 4.26Å; I418-L445 WeakPolarHBondContact O-CD1 3.39Å; L445-L450 HydrophobicContact CB-CD2 3.92Å; L445-L450 HydrophobicContact CB-CG 4.25Å; L445-L450 HydrophobicContact CD1-CD2 4Å
446	P	98.3	Very high	98.4	Very high	37 Å²	37	30.5 Å²	30.5	24%	0.24	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-54.5	133.7	172.9	-26.9	36.4	0	0	0	112.4	V243 H448 S449 L450	V243-P446 VanDerWaalsContact O-CB 3.28Å; V243-P446 WeakPolarHBondContact O-CB 3.2Å; P446-H448 VanDerWaalsContact C-N 3.26Å; P446-H448 WeakPolarHBondContact CB-CE1 3.41Å; P446-H448 PolarHBondContact O-N 2.9Å; P446-H448 VanDerWaalsContact O-N 3.15Å; P446-S449 WeakPolarHBondContact O-CB 3.39Å; P446-S449 PolarHBondContact O-N 2.84Å; P446-L450 PolarHBondContact O-N 3.25Å
447	P	98.3	Very high	98.4	Very high	11 Å²	11	30.5 Å²	30.5	7%	0.071	18%	0.178	C	C	.	.	H	α-helix	trans	-47.9	-43.4	178.9	-35.1	39.3	0	0	0	114.8	T237 H241 V243 L257 S449 L450 A451	T237-P447 HydrophobicContact CG2-CB 3.82Å; H241-P447 HydrophobicContact CB-CB 4.35Å; V243-P447 WeakPolarHBondContact O-CD 3.48Å; L257-P447 HydrophobicContact CD1-CB 3.76Å; P447-S449 VanDerWaalsContact C-N 3.33Å; P447-S449 PolarHBondContact O-N 3.29Å; P447-L450 WeakPolarHBondContact O-CB 3.12Å; P447-L450 PolarHBondContact O-N 3.07Å; P447-A451 PolarHBondContact O-N 3.12Å; P447-A451 VanDerWaalsContact O-N 3.1Å
448	H	98.2	Very high	98.4	Very high	33 Å²	33	31.5 Å²	31.5	15%	0.153	18%	0.175	C	C	.	.	H	α-helix	trans	-68.1	-30.6	-178.4	64.2	-86.7	0	0	0	113.4	A234 T237 I238 V243 P446 L450 A452	A234-H448 HydrophobicContact CB-CB 4.43Å; A234-H448 WeakPolarHBondContact O-CB 3.46Å; T237-H448 HydrophobicContact CG2-CB 3.99Å; I238-H448 HydrophobicContact CD1-CB 4.2Å; I238-H448 HydrophobicContact CG1-CB 3.51Å; V243-H448 PolarHBondContact O-ND1 3.25Å; P446-H448 VanDerWaalsContact C-N 3.26Å; P446-H448 WeakPolarHBondContact CB-CE1 3.41Å; P446-H448 PolarHBondContact O-N 2.9Å; P446-H448 VanDerWaalsContact O-N 3.15Å; H448-L450 VanDerWaalsContact C-N 3.34Å; H448-A452 WeakPolarHBondContact O-CB 3.24Å; H448-A452 PolarHBondContact O-N 2.87Å
449	S	98.5	Very high	98.5	Very high	13 Å²	13	30.9 Å²	30.9	9%	0.091	17%	0.166	C	C	.	.	H	α-helix	trans	-68.1	-35.7	173.9	-53.8	0	0	0	0	111.6	S417 P446 P447 A453	S417-S449 PolarHBondContact OG-O 3.36Å; P446-S449 WeakPolarHBondContact O-CB 3.39Å; P446-S449 PolarHBondContact O-N 2.84Å; P447-S449 VanDerWaalsContact C-N 3.33Å; P447-S449 PolarHBondContact O-N 3.29Å; S449-A453 WeakPolarHBondContact O-CB 3.41Å; S449-A453 PolarHBondContact O-N 2.98Å
450	L	98.6	Very high	98.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67.7	-46.7	176.5	-57.9	167.1	0	0	0	111.1	L257 H258 L261 V276 L445 P446 P447 H448 A452 A453 Q454	L257-L450 HydrophobicContact CB-CB 4.15Å; L257-L450 HydrophobicContact CB-CD1 4.12Å; H258-L450 HydrophobicContact CB-CD1 4.43Å; H258-L450 WeakPolarHBondContact CE1-CD1 3.29Å; H258-L450 VanDerWaalsContact ND1-CD1 3.32Å; H258-L450 WeakPolarHBondContact ND1-CD1 3.22Å; H258-L450 WeakPolarHBondContact NE2-CD1 3.33Å; L261-L450 HydrophobicContact CD2-CB 4.23Å; L261-L450 HydrophobicContact CD2-CD2 3.58Å; V276-L450 HydrophobicContact CG1-CD2 4.2Å; L445-L450 HydrophobicContact CB-CD2 3.92Å; L445-L450 HydrophobicContact CB-CG 4.25Å; L445-L450 HydrophobicContact CD1-CD2 4Å; P446-L450 PolarHBondContact O-N 3.25Å; P447-L450 WeakPolarHBondContact O-CB 3.12Å; P447-L450 PolarHBondContact O-N 3.07Å; H448-L450 VanDerWaalsContact C-N 3.34Å; L450-A452 VanDerWaalsContact C-N 3.35Å; L450-A452 PolarHBondContact O-N 2.77Å; L450-A453 PolarHBondContact O-N 3.39Å; L450-Q454 WeakPolarHBondContact O-CB 3.36Å; L450-Q454 PolarHBondContact O-N 3.15Å
451	A	98.6	Very high	98.5	Very high	10 Å²	10	29.8 Å²	29.8	8%	0.083	16%	0.159	C	C	.	.	H	α-helix	trans	-60.8	-43.3	176.8	0	0	0	0	0	111.9	T237 L257 P447 Q454 A455	T237-A451 HydrophobicContact CG2-CB 4.29Å; T237-A451 VanDerWaalsContact OG1-CB 3.22Å; T237-A451 WeakPolarHBondContact OG1-CB 3.43Å; L257-A451 HydrophobicContact CD2-CB 4.43Å; P447-A451 PolarHBondContact O-N 3.12Å; P447-A451 VanDerWaalsContact O-N 3.1Å; A451-Q454 PolarHBondContact O-N 2.98Å; A451-A455 WeakPolarHBondContact O-CB 3.47Å; A451-A455 PolarHBondContact O-N 2.55Å
452	A	98.6	Very high	98.5	Very high	9 Å²	9	23.9 Å²	23.9	7%	0.074	14%	0.138	C	C	.	.	H	α-helix	trans	-61.6	-45.5	174.8	0	0	0	0	0	112.1	V230 A234 H448 L450 Q454 A455 S456	V230-A452 HydrophobicContact CG1-CB 3.94Å; A234-A452 HydrophobicContact CB-CB 4.17Å; H448-A452 WeakPolarHBondContact O-CB 3.24Å; H448-A452 PolarHBondContact O-N 2.87Å; L450-A452 VanDerWaalsContact C-N 3.35Å; L450-A452 PolarHBondContact O-N 2.77Å; A452-Q454 PolarHBondContact O-N 3.44Å; A452-A455 PolarHBondContact O-N 2.92Å; A452-S456 WeakPolarHBondContact O-CB 3.41Å; A452-S456 PolarHBondContact O-N 2.57Å
453	A	98.7	Very high	98.5	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.7	-44.9	177.8	0	0	0	0	0	111.6	L261 L411 S449 L450 S456 I457	L261-A453 HydrophobicContact CD1-CB 4.19Å; L261-A453 HydrophobicContact CD2-CB 4.1Å; L411-A453 HydrophobicContact CB-CB 4.31Å; L411-A453 HydrophobicContact CD1-CB 3.89Å; L411-A453 HydrophobicContact CD2-CB 4.25Å; L411-A453 HydrophobicContact CG-CB 4.37Å; S449-A453 WeakPolarHBondContact O-CB 3.41Å; S449-A453 PolarHBondContact O-N 2.98Å; L450-A453 PolarHBondContact O-N 3.39Å; A453-S456 PolarHBondContact O-N 3.18Å; A453-I457 VanDerWaalsContact O-CG1 3.3Å; A453-I457 WeakPolarHBondContact O-CG1 3.44Å; A453-I457 PolarHBondContact O-N 3.02Å
454	Q	98.7	Very high	98.5	Very high	28 Å²	28	25.2 Å²	25.2	13%	0.131	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-48.1	177.8	-172.8	179.3	6.4	0	0	111.4	S260 L261 E264 L450 A451 A452 S456 I457 Q458	S260-Q454 PolarHBondContact OG-NE2 3.49Å; S260-Q454 PolarHBondContact OG-OE1 3.33Å; L261-Q454 HydrophobicContact CD1-CB 4.05Å; E264-Q454 HydrophobicContact CB-CG 4.43Å; E264-Q454 HydrophobicContact CG-CG 4.32Å; L450-Q454 WeakPolarHBondContact O-CB 3.36Å; L450-Q454 PolarHBondContact O-N 3.15Å; A451-Q454 PolarHBondContact O-N 2.98Å; A452-Q454 PolarHBondContact O-N 3.44Å; Q454-S456 VanDerWaalsContact C-N 3.3Å; Q454-S456 PolarHBondContact O-N 3.02Å; Q454-I457 PolarHBondContact O-N 3.43Å; Q454-Q458 WeakPolarHBondContact O-CG 3.21Å; Q454-Q458 PolarHBondContact O-N 3.02Å
455	A	98.7	Very high	98.5	Very high	15 Å²	15	24.6 Å²	24.6	12%	0.124	14%	0.139	C	C	.	.	H	α-helix	trans	-58.3	-43.4	176.3	0	0	0	0	0	111.4	V230 A233 A451 A452 Q458 I459	V230-A455 HydrophobicContact CG2-CB 4.48Å; A233-A455 HydrophobicContact CB-CB 3.76Å; A451-A455 WeakPolarHBondContact O-CB 3.47Å; A451-A455 PolarHBondContact O-N 2.55Å; A452-A455 PolarHBondContact O-N 2.92Å; A455-Q458 PolarHBondContact O-N 3.26Å; A455-I459 VanDerWaalsContact O-CD1 3.29Å; A455-I459 WeakPolarHBondContact O-CD1 3.41Å; A455-I459 VanDerWaalsContact O-CG1 3.25Å; A455-I459 WeakPolarHBondContact O-CG1 3.45Å; A455-I459 PolarHBondContact O-N 3.27Å
456	S	98.8	Very high	98.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-42.5	177.1	-173.5	0	0	0	0	112.4	M224 F415 A452 A453 Q454 I459 L460	M224-S456 WeakPolarHBondContact CB-OG 3.45Å; F415-S456 VanDerWaalsContact CA-OG 3.31Å; F415-S456 WeakPolarHBondContact CA-OG 3.4Å; F415-S456 VanDerWaalsContact O-CB 3.24Å; F415-S456 WeakPolarHBondContact O-CB 3.28Å; F415-S456 PolarHBondContact O-OG 3.18Å; A452-S456 WeakPolarHBondContact O-CB 3.41Å; A452-S456 PolarHBondContact O-N 2.57Å; A453-S456 PolarHBondContact O-N 3.18Å; Q454-S456 VanDerWaalsContact C-N 3.3Å; Q454-S456 PolarHBondContact O-N 3.02Å; S456-I459 PolarHBondContact O-N 3.41Å; S456-L460 WeakPolarHBondContact O-CB 3.48Å; S456-L460 VanDerWaalsContact O-CG 3.32Å; S456-L460 WeakPolarHBondContact O-CG 3.2Å; S456-L460 PolarHBondContact O-N 3.19Å
457	I	98.8	Very high	98.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.1	-46.6	177.1	-69.6	160.4	0	0	0	110	L261 E264 L265 L268 L411 F415 A453 Q454 I459 L460 K461	L261-I457 HydrophobicContact CD1-CD1 3.65Å; E264-I457 HydrophobicContact CG-CB 4.29Å; E264-I457 HydrophobicContact CG-CG2 3.7Å; L265-I457 HydrophobicContact CD2-CD1 3.69Å; L265-I457 HydrophobicContact CG-CD1 4.21Å; L268-I457 HydrophobicContact CD2-CG2 4.23Å; L411-I457 HydrophobicContact CD2-CD1 4.21Å; F415-I457 HydrophobicContact CD1-CB 4.42Å; F415-I457 HydrophobicContact CD1-CG1 3.56Å; F415-I457 HydrophobicContact CD2-CG1 4.07Å; F415-I457 HydrophobicContact CE1-CB 4.31Å; F415-I457 HydrophobicContact CE1-CG1 3.59Å; F415-I457 HydrophobicContact CE2-CG1 4.08Å; F415-I457 HydrophobicContact CG-CG1 3.84Å; F415-I457 HydrophobicContact CZ-CG1 3.86Å; A453-I457 VanDerWaalsContact O-CG1 3.3Å; A453-I457 WeakPolarHBondContact O-CG1 3.44Å; A453-I457 PolarHBondContact O-N 3.02Å; Q454-I457 PolarHBondContact O-N 3.43Å; I457-I459 VanDerWaalsContact C-N 3.34Å; I457-I459 PolarHBondContact O-N 3.06Å; I457-L460 PolarHBondContact O-N 3.5Å; I457-L460 VanDerWaalsContact O-N 3.15Å; I457-K461 HydrophobicContact CG2-CD 3.73Å; I457-K461 HydrophobicContact CG2-CG 4.25Å; I457-K461 VanDerWaalsContact O-CG 3.31Å; I457-K461 WeakPolarHBondContact O-CG 3.31Å; I457-K461 PolarHBondContact O-N 3.12Å
458	Q	98.6	Very high	98.5	Very high	92 Å²	92	36 Å²	36	43%	0.43	19%	0.187	S	C	.	.	H	α-helix	trans	-60.7	-41.6	179.7	-72.1	174.1	-10	0	0	112.4	E264 Q454 A455 K461 S462	E264-Q458 HydrophobicContact CG-CG 4.44Å; E264-Q458 PolarHBondContact OE2-NE2 3.48Å; Q454-Q458 WeakPolarHBondContact O-CG 3.21Å; Q454-Q458 PolarHBondContact O-N 3.02Å; A455-Q458 PolarHBondContact O-N 3.26Å; Q458-K461 PolarHBondContact O-N 3.28Å; Q458-S462 PolarHBondContact O-N 3.4Å
459	I	98.7	Very high	98.5	Very high	13 Å²	13	35.1 Å²	35.1	7%	0.067	18%	0.182	C	C	.	.	H	α-helix	trans	-63.5	-47	174.3	-65.7	156.1	0	0	0	110.4	M224 K229 V230 A455 S456 I457 K461 S462 E464 G465	M224-I459 HydrophobicContact CE-CB 3.97Å; M224-I459 HydrophobicContact CE-CD1 3.88Å; M224-I459 HydrophobicContact CE-CG2 3.79Å; K229-I459 HydrophobicContact CB-CD1 3.95Å; K229-I459 HydrophobicContact CD-CD1 4.32Å; K229-I459 HydrophobicContact CD-CG1 4.46Å; V230-I459 HydrophobicContact CG2-CD1 3.76Å; A455-I459 VanDerWaalsContact O-CD1 3.29Å; A455-I459 WeakPolarHBondContact O-CD1 3.41Å; A455-I459 VanDerWaalsContact O-CG1 3.25Å; A455-I459 WeakPolarHBondContact O-CG1 3.45Å; A455-I459 PolarHBondContact O-N 3.27Å; S456-I459 PolarHBondContact O-N 3.41Å; I457-I459 VanDerWaalsContact C-N 3.34Å; I457-I459 PolarHBondContact O-N 3.06Å; I459-K461 VanDerWaalsContact C-N 3.28Å; I459-K461 PolarHBondContact O-N 3.2Å; I459-S462 WeakPolarHBondContact O-CB 3.39Å; I459-S462 PolarHBondContact O-N 3.06Å; I459-S462 PolarHBondContact O-OG 2.95Å; I459-E464 HydrophobicContact CG2-CB 4.43Å; I459-E464 HydrophobicContact CG2-CG 4.01Å; I459-G465 PolarHBondContact O-N 3.21Å
460	L	98.7	Very high	98.5	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-69.3	-23.7	-178	-67.4	-170.5	0	0	0	113.7	L222 M224 A414 F415 S456 I457 S462 L468 R469	L222-L460 HydrophobicContact CD1-CD1 3.77Å; L222-L460 HydrophobicContact CD1-CD2 3.49Å; L222-L460 VanDerWaalsContact CD1-CD2 3.49Å; L222-L460 HydrophobicContact CD1-CG 4.31Å; M224-L460 HydrophobicContact CE-CD2 4.44Å; M224-L460 HydrophobicContact CG-CD1 4.18Å; M224-L460 HydrophobicContact CG-CD2 4.17Å; M224-L460 HydrophobicContact CG-CG 4.31Å; M224-L460 HydrophobicContact SD-CD2 3.79Å; M224-L460 HydrophobicContact SD-CG 4.33Å; A414-L460 HydrophobicContact CB-CD1 4.46Å; F415-L460 HydrophobicContact CD1-CD1 3.68Å; F415-L460 HydrophobicContact CE1-CB 4.41Å; F415-L460 HydrophobicContact CE1-CD1 3.84Å; S456-L460 WeakPolarHBondContact O-CB 3.48Å; S456-L460 VanDerWaalsContact O-CG 3.32Å; S456-L460 WeakPolarHBondContact O-CG 3.2Å; S456-L460 PolarHBondContact O-N 3.19Å; I457-L460 PolarHBondContact O-N 3.5Å; I457-L460 VanDerWaalsContact O-N 3.15Å; L460-S462 VanDerWaalsContact C-N 3.34Å; L460-L468 HydrophobicContact CD2-CD1 4.03Å; L460-R469 PolarHBondContact O-NH1 3.48Å; L460-R469 PolarHBondContact O-NH2 2.98Å
461	K	98.5	Very high	98.5	Very high	41 Å²	41	41.4 Å²	41.4	18%	0.178	22%	0.217	C	C	.	.	H	α-helix	trans	-74	-24	169.9	-71.8	171.8	65.5	177.6	0	113.2	E264 D267 L268 H390 I457 Q458 I459	E264-K461 WeakPolarHBondContact OE1-CD 3.25Å; E264-K461 IonicContact OE1-NZ 3.44Å; E264-K461 PolarHBondContact OE1-NZ 3.48Å; D267-K461 IonicContact OD2-NZ 2.71Å; D267-K461 PolarHBondContact OD2-NZ 3.46Å; L268-K461 HydrophobicContact CD1-CD 3.98Å; L268-K461 HydrophobicContact CD1-CG 3.77Å; H390-K461 HydrophobicContact CB-CB 4.33Å; H390-K461 HydrophobicContact CB-CG 4.14Å; H390-K461 WeakPolarHBondContact O-CA 3.31Å; H390-K461 WeakPolarHBondContact O-CG 3.44Å; I457-K461 HydrophobicContact CG2-CD 3.73Å; I457-K461 HydrophobicContact CG2-CG 4.25Å; I457-K461 VanDerWaalsContact O-CG 3.31Å; I457-K461 WeakPolarHBondContact O-CG 3.31Å; I457-K461 PolarHBondContact O-N 3.12Å; Q458-K461 PolarHBondContact O-N 3.28Å; I459-K461 VanDerWaalsContact C-N 3.28Å; I459-K461 PolarHBondContact O-N 3.2Å
462	S	98.5	Very high	98.5	Very high	39 Å²	39	41 Å²	41	27%	0.273	21%	0.213	S	C	.	.	S	Bend	trans	-79.6	174.3	-175.9	84.9	0	0	0	0	113	Q458 I459 L460 E464 G465 K466	Q458-S462 PolarHBondContact O-N 3.4Å; I459-S462 WeakPolarHBondContact O-CB 3.39Å; I459-S462 PolarHBondContact O-N 3.06Å; I459-S462 PolarHBondContact O-OG 2.95Å; L460-S462 VanDerWaalsContact C-N 3.34Å; S462-E464 PolarHBondContact O-N 2.64Å; S462-E464 WeakPolarHBondContact OG-CB 3.1Å; S462-E464 PolarHBondContact OG-N 3.29Å; S462-G465 PolarHBondContact O-N 3.04Å; S462-K466 PolarHBondContact O-N 3.25Å
463	P	98.3	Very high	98.5	Very high	99 Å²	99	43.5 Å²	43.5	64%	0.643	22%	0.223	S	C	*	.	H	α-helix	trans	-54	-36	172	-27.7	36.8	0	0	0	114	G465 K466 E467	P463-G465 VanDerWaalsContact C-N 3.3Å; P463-G465 PolarHBondContact O-N 2.78Å; P463-K466 WeakPolarHBondContact O-CB 3.28Å; P463-K466 PolarHBondContact O-N 3.18Å; P463-E467 PolarHBondContact O-N 2.97Å
464	E	98.4	Very high	98.5	Very high	64 Å²	64	48.5 Å²	48.5	30%	0.299	25%	0.245	S	C	.	.	H	α-helix	trans	-58.1	-43.8	175.1	178.9	171	-164.4	0	0	111	H227 K229 I459 S462 K466 E467 L468	H227-E464 IonicContact CD2-OE1 3.23Å; H227-E464 IonicContact NE2-OE1 2.75Å; H227-E464 PolarHBondContact NE2-OE1 3.17Å; H227-E464 IonicContact NE2-OE2 2.77Å; K229-E464 IonicContact NZ-OE2 3.41Å; K229-E464 PolarHBondContact NZ-OE2 2.92Å; I459-E464 HydrophobicContact CG2-CB 4.43Å; I459-E464 HydrophobicContact CG2-CG 4.01Å; S462-E464 PolarHBondContact O-N 2.64Å; S462-E464 WeakPolarHBondContact OG-CB 3.1Å; S462-E464 PolarHBondContact OG-N 3.29Å; E464-K466 VanDerWaalsContact C-N 3.32Å; E464-K466 PolarHBondContact O-N 3.11Å; E464-E467 PolarHBondContact O-N 2.8Å; E464-L468 HydrophobicContact CG-CD1 4.44Å; E464-L468 WeakPolarHBondContact O-CG 3.43Å; E464-L468 PolarHBondContact O-N 3.42Å
465	G	98.6	Very high	98.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.1	-38.3	173.7	0	0	0	0	0	113.8	I459 S462 P463 L468 R469	I459-G465 PolarHBondContact O-N 3.21Å; S462-G465 PolarHBondContact O-N 3.04Å; P463-G465 VanDerWaalsContact C-N 3.3Å; P463-G465 PolarHBondContact O-N 2.78Å; G465-L468 PolarHBondContact O-N 3.36Å; G465-R469 WeakPolarHBondContact O-CG 3.48Å; G465-R469 PolarHBondContact O-N 2.78Å; G465-R469 PolarHBondContact O-NH1 2.99Å
466	K	98.2	Very high	98.5	Very high	132 Å²	132	47.9 Å²	47.9	57%	0.574	24%	0.238	S	C	*	.	H	α-helix	trans	-65.1	-44.2	176.4	-175.4	-179.5	177.6	-178.5	0	111	S462 P463 E464 R469 T470	S462-K466 PolarHBondContact O-N 3.25Å; P463-K466 WeakPolarHBondContact O-CB 3.28Å; P463-K466 PolarHBondContact O-N 3.18Å; E464-K466 VanDerWaalsContact C-N 3.32Å; E464-K466 PolarHBondContact O-N 3.11Å; K466-R469 PolarHBondContact O-N 2.69Å; K466-T470 PolarHBondContact O-N 2.89Å; K466-T470 PolarHBondContact O-OG1 2.88Å
467	E	98.4	Very high	98.4	Very high	138 Å²	138	50.9 Å²	50.9	65%	0.645	26%	0.259	S	S	*	.	H	α-helix	trans	-61.3	-46	175.6	-70	173.5	-170	0	0	111.6	P463 E464 R469 T470 E471	P463-E467 PolarHBondContact O-N 2.97Å; E464-E467 PolarHBondContact O-N 2.8Å; E467-R469 VanDerWaalsContact C-N 3.35Å; E467-R469 PolarHBondContact O-N 2.93Å; E467-T470 PolarHBondContact O-N 2.78Å; E467-E471 PolarHBondContact O-N 3.31Å
468	L	98.3	Very high	98.4	Very high	30 Å²	30	53 Å²	53	16%	0.157	27%	0.27	C	S	.	.	H	α-helix	trans	-58.2	-44	175.2	-75.1	170.7	0	0	0	112.1	M224 L460 E464 G465 H472 P544	M224-L468 HydrophobicContact SD-CD1 4.05Å; L460-L468 HydrophobicContact CD2-CD1 4.03Å; E464-L468 HydrophobicContact CG-CD1 4.44Å; E464-L468 WeakPolarHBondContact O-CG 3.43Å; E464-L468 PolarHBondContact O-N 3.42Å; G465-L468 PolarHBondContact O-N 3.36Å; L468-H472 WeakPolarHBondContact O-CB 3.42Å; L468-H472 PolarHBondContact O-N 3.23Å; L468-P544 HydrophobicContact CD2-CB 4.47Å; L468-P544 HydrophobicContact CD2-CG 4.29Å
469	R	98.5	Very high	98.4	Very high	14 Å²	14	48.7 Å²	48.7	5%	0.053	25%	0.25	C	C	.	.	H	α-helix	trans	-62.7	-42.8	175.3	-77.6	-172.3	-71.4	-71.6	-0.8	112.1	G385 L386 G388 A389 L460 G465 K466 E467 H472 Q473	G385-R469 WeakPolarHBondContact O-CD 2.96Å; G385-R469 WeakPolarHBondContact O-CG 3.37Å; G385-R469 PolarHBondContact O-NH1 2.98Å; L386-R469 WeakPolarHBondContact O-CD 3.31Å; L386-R469 WeakPolarHBondContact O-CG 3.09Å; G388-R469 PolarHBondContact O-NE 3.4Å; A389-R469 PolarHBondContact O-NH2 3.12Å; L460-R469 PolarHBondContact O-NH1 3.48Å; L460-R469 PolarHBondContact O-NH2 2.98Å; G465-R469 WeakPolarHBondContact O-CG 3.48Å; G465-R469 PolarHBondContact O-N 2.78Å; G465-R469 PolarHBondContact O-NH1 2.99Å; K466-R469 PolarHBondContact O-N 2.69Å; E467-R469 VanDerWaalsContact C-N 3.35Å; E467-R469 PolarHBondContact O-N 2.93Å; R469-H472 PolarHBondContact O-N 2.74Å; R469-Q473 WeakPolarHBondContact O-CG 3.42Å; R469-Q473 PolarHBondContact O-N 3.11Å
470	T	98.3	Very high	98.3	Very high	94 Å²	94	49.8 Å²	49.8	58%	0.577	25%	0.253	S	S	*	.	H	α-helix	trans	-63.4	-48.8	178.3	-65.4	0	0	0	0	111.6	K466 E467 H472 Q473 K474	K466-T470 PolarHBondContact O-N 2.89Å; K466-T470 PolarHBondContact O-OG1 2.88Å; E467-T470 PolarHBondContact O-N 2.78Å; T470-H472 VanDerWaalsContact C-N 3.34Å; T470-H472 PolarHBondContact O-N 3.24Å; T470-Q473 PolarHBondContact O-N 3.44Å; T470-K474 PolarHBondContact O-N 2.89Å; T470-K474 VanDerWaalsContact O-N 3.08Å
471	E	98.3	Very high	98.3	Very high	51 Å²	51	54.1 Å²	54.1	24%	0.238	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-38.2	177.6	-178.5	61.5	-167.5	0	0	111.3	E467 Q473 K474 R475 P544	E467-E471 PolarHBondContact O-N 3.31Å; E471-Q473 PolarHBondContact O-N 2.85Å; E471-K474 WeakPolarHBondContact O-CB 3.33Å; E471-K474 PolarHBondContact O-N 2.85Å; E471-K474 IonicContact OE1-NZ 3.65Å; E471-K474 WeakPolarHBondContact OE2-CD 3.22Å; E471-K474 IonicContact OE2-NZ 3.05Å; E471-K474 PolarHBondContact OE2-NZ 2.98Å; E471-R475 HydrophobicContact CG-CG 4.39Å; E471-R475 WeakPolarHBondContact O-CG 3.31Å; E471-R475 PolarHBondContact O-N 2.79Å; E471-R475 IonicContact OE1-CZ 2.78Å; E471-R475 IonicContact OE1-NE 2.97Å; E471-R475 PolarHBondContact OE1-NE 2.92Å; E471-R475 IonicContact OE1-NH2 3.59Å; E471-R475 PolarHBondContact OE1-NH2 3.46Å; E471-P544 HydrophobicContact CB-CB 4.32Å; E471-P544 HydrophobicContact CG-CB 3.93Å
472	H	98.7	Very high	98.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-56.9	-51.2	174.6	179.6	-150.3	0	0	0	111.8	L222 L468 R469 T470 K474 R475 V476 H496 P542 P544	L222-H472 HydrophobicContact CD2-CB 3.79Å; L468-H472 WeakPolarHBondContact O-CB 3.42Å; L468-H472 PolarHBondContact O-N 3.23Å; R469-H472 PolarHBondContact O-N 2.74Å; T470-H472 VanDerWaalsContact C-N 3.34Å; T470-H472 PolarHBondContact O-N 3.24Å; H472-K474 VanDerWaalsContact C-N 3.29Å; H472-K474 PolarHBondContact O-N 3.45Å; H472-R475 PolarHBondContact O-N 3.49Å; H472-V476 VanDerWaalsContact O-CG2 3.26Å; H472-V476 WeakPolarHBondContact O-CG2 3.46Å; H472-V476 PolarHBondContact O-N 3.31Å; H472-H496 WeakPolarHBondContact CE1-CB 3.46Å; H472-H496 AromaticContact CE1-CD2 3.83Å; H472-H496 AromaticContact CE1-CG 3.62Å; H472-P542 PolarHBondContact CD2-O 3.45Å; H472-P542 PolarHBondContact NE2-O 2.62Å; H472-P542 VanDerWaalsContact NE2-O 3.11Å; H472-P544 HydrophobicContact CB-CG 3.81Å
473	Q	98.4	Very high	98.2	Very high	62 Å²	62	52 Å²	52	29%	0.29	26%	0.263	S	S	.	.	H	α-helix	trans	-63.4	-36.5	179.5	-67.5	-59.3	-38.8	0	0	112	R469 T470 E471 S477	R469-Q473 WeakPolarHBondContact O-CG 3.42Å; R469-Q473 PolarHBondContact O-N 3.11Å; T470-Q473 PolarHBondContact O-N 3.44Å; E471-Q473 PolarHBondContact O-N 2.85Å; Q473-S477 WeakPolarHBondContact O-CB 3.1Å; Q473-S477 PolarHBondContact O-N 2.81Å
474	K	98.3	Very high	98.1	Very high	106 Å²	106	52 Å²	52	46%	0.461	25%	0.251	S	S	.	.	H	α-helix	trans	-62	-49.1	173	175.9	-179.4	152.7	-143.9	0	111.7	T470 E471 H472 V476 S477 I478	T470-K474 PolarHBondContact O-N 2.89Å; T470-K474 VanDerWaalsContact O-N 3.08Å; E471-K474 WeakPolarHBondContact O-CB 3.33Å; E471-K474 PolarHBondContact O-N 2.85Å; E471-K474 IonicContact OE1-NZ 3.65Å; E471-K474 WeakPolarHBondContact OE2-CD 3.22Å; E471-K474 IonicContact OE2-NZ 3.05Å; E471-K474 PolarHBondContact OE2-NZ 2.98Å; H472-K474 VanDerWaalsContact C-N 3.29Å; H472-K474 PolarHBondContact O-N 3.45Å; K474-V476 PolarHBondContact O-N 2.91Å; K474-S477 WeakPolarHBondContact O-CB 3.25Å; K474-S477 PolarHBondContact O-N 3.42Å; K474-S477 VanDerWaalsContact O-N 3.14Å; K474-I478 HydrophobicContact CG-CD1 3.98Å; K474-I478 WeakPolarHBondContact O-CG1 3.39Å; K474-I478 PolarHBondContact O-N 3.26Å
475	R	98.4	Very high	98	Very high	29 Å²	29	52.8 Å²	52.8	11%	0.109	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-43	177.4	-69.4	-58.5	-178.1	-179.2	-4.7	112.4	E471 H472 S477 I478 V479 H546 D548	E471-R475 HydrophobicContact CG-CG 4.39Å; E471-R475 WeakPolarHBondContact O-CG 3.31Å; E471-R475 PolarHBondContact O-N 2.79Å; E471-R475 IonicContact OE1-CZ 2.78Å; E471-R475 IonicContact OE1-NE 2.97Å; E471-R475 PolarHBondContact OE1-NE 2.92Å; E471-R475 IonicContact OE1-NH2 3.59Å; E471-R475 PolarHBondContact OE1-NH2 3.46Å; H472-R475 PolarHBondContact O-N 3.49Å; R475-S477 VanDerWaalsContact C-N 3.3Å; R475-S477 PolarHBondContact O-N 3.49Å; R475-I478 PolarHBondContact O-N 3.48Å; R475-V479 WeakPolarHBondContact O-CG2 3.43Å; R475-V479 PolarHBondContact O-N 2.98Å; R475-H546 VanDerWaalsContact CD-O 3.28Å; R475-H546 WeakPolarHBondContact CD-O 3.3Å; R475-D548 IonicContact CZ-OD2 3.66Å; R475-D548 IonicContact NH1-OD1 3.42Å; R475-D548 PolarHBondContact NH1-OD1 3.38Å; R475-D548 IonicContact NH1-OD2 2.73Å; R475-D548 PolarHBondContact NH1-OD2 3.28Å
476	V	98.4	Very high	97.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-55.8	-46.2	172.5	167.3	0	0	0	0	110.9	H472 K474 R480 H496 I498 P542	H472-V476 VanDerWaalsContact O-CG2 3.26Å; H472-V476 WeakPolarHBondContact O-CG2 3.46Å; H472-V476 PolarHBondContact O-N 3.31Å; K474-V476 PolarHBondContact O-N 2.91Å; V476-R480 VanDerWaalsContact O-CB 3.27Å; V476-R480 WeakPolarHBondContact O-CB 3.22Å; V476-R480 PolarHBondContact O-N 3.08Å; V476-H496 HydrophobicContact CG2-CB 3.74Å; V476-I498 HydrophobicContact CG1-CD1 4.37Å; V476-P542 HydrophobicContact CG2-CB 4.3Å; V476-P542 HydrophobicContact CG2-CG 4.41Å
477	S	97.9	Very high	97.8	Very high	63 Å²	63	48 Å²	48	44%	0.441	24%	0.24	S	C	.	.	H	α-helix	trans	-62.1	-45.5	178.7	-171.5	0	0	0	0	112.2	Q473 K474 R475 R480 Q481	Q473-S477 WeakPolarHBondContact O-CB 3.1Å; Q473-S477 PolarHBondContact O-N 2.81Å; K474-S477 WeakPolarHBondContact O-CB 3.25Å; K474-S477 PolarHBondContact O-N 3.42Å; K474-S477 VanDerWaalsContact O-N 3.14Å; R475-S477 VanDerWaalsContact C-N 3.3Å; R475-S477 PolarHBondContact O-N 3.49Å; S477-R480 PolarHBondContact O-N 2.91Å; S477-Q481 VanDerWaalsContact O-CB 3.3Å; S477-Q481 WeakPolarHBondContact O-CB 3.36Å; S477-Q481 PolarHBondContact O-N 2.89Å
478	I	98.3	Very high	97.7	Very high	46 Å²	46	41.7 Å²	41.7	24%	0.236	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-53.6	178.5	-68	166.3	0	0	0	110	K474 R475 R480 Q481 S482 T551	K474-I478 HydrophobicContact CG-CD1 3.98Å; K474-I478 WeakPolarHBondContact O-CG1 3.39Å; K474-I478 PolarHBondContact O-N 3.26Å; R475-I478 PolarHBondContact O-N 3.48Å; I478-R480 PolarHBondContact O-N 2.9Å; I478-Q481 PolarHBondContact O-N 2.83Å; I478-Q481 VanDerWaalsContact O-N 3.16Å; I478-S482 PolarHBondContact O-N 2.84Å; I478-S482 PolarHBondContact O-OG 3.12Å; I478-S482 VanDerWaalsContact O-OG 3.06Å; I478-T551 HydrophobicContact CG2-CG2 4.43Å
479	V	98.4	Very high	97.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.2	-45.9	-179.5	175.1	0	0	0	0	111.1	W216 R475 Q481 S482 L483 I498 I540 P542 T551 L554	W216-V479 HydrophobicContact CH2-CG2 4.25Å; W216-V479 HydrophobicContact CZ3-CG1 4.32Å; W216-V479 HydrophobicContact CZ3-CG2 3.95Å; R475-V479 WeakPolarHBondContact O-CG2 3.43Å; R475-V479 PolarHBondContact O-N 2.98Å; V479-Q481 VanDerWaalsContact C-N 3.34Å; V479-Q481 PolarHBondContact O-N 2.79Å; V479-S482 PolarHBondContact O-N 3.41Å; V479-L483 HydrophobicContact CG1-CD1 3.82Å; V479-L483 HydrophobicContact CG1-CG 4.34Å; V479-L483 VanDerWaalsContact O-CG 3.22Å; V479-L483 WeakPolarHBondContact O-CG 3.19Å; V479-L483 PolarHBondContact O-N 3.05Å; V479-I498 HydrophobicContact CB-CD1 4.06Å; V479-I498 HydrophobicContact CG1-CD1 3.85Å; V479-I540 HydrophobicContact CG1-CG2 4.38Å; V479-P542 HydrophobicContact CB-CG 3.9Å; V479-P542 HydrophobicContact CG1-CG 3.9Å; V479-P542 HydrophobicContact CG2-CB 4.07Å; V479-P542 HydrophobicContact CG2-CG 3.94Å; V479-T551 HydrophobicContact CB-CG2 4.33Å; V479-T551 HydrophobicContact CG2-CG2 3.79Å; V479-L554 HydrophobicContact CG1-CD2 4.26Å
480	R	97.9	Very high	97.5	Very high	36 Å²	36	41.7 Å²	41.7	14%	0.136	21%	0.213	C	C	.	.	H	α-helix	trans	-58.5	-46.3	177	-178.4	-179.8	-65.6	110.9	1.7	111.5	V476 S477 I478 R484 V490 A493 S495 I498	V476-R480 VanDerWaalsContact O-CB 3.27Å; V476-R480 WeakPolarHBondContact O-CB 3.22Å; V476-R480 PolarHBondContact O-N 3.08Å; S477-R480 PolarHBondContact O-N 2.91Å; I478-R480 PolarHBondContact O-N 2.9Å; R480-R484 WeakPolarHBondContact O-CB 3.16Å; R480-R484 VanDerWaalsContact O-CG 3.28Å; R480-R484 WeakPolarHBondContact O-CG 3.23Å; R480-R484 PolarHBondContact O-N 3.29Å; R480-V490 HydrophobicContact CG-CG1 4.4Å; R480-A493 PolarHBondContact NH2-O 3.4Å; R480-S495 PolarHBondContact NH2-O 2.71Å; R480-I498 HydrophobicContact CB-CD1 3.99Å
481	Q	97.4	Very high	97.3	Very high	93 Å²	93	39.5 Å²	39.5	44%	0.435	20%	0.198	S	C	.	.	H	α-helix	trans	-64.6	-44.9	-179.6	-178.3	173	2.4	0	0	111.6	S477 I478 V479 L483 R484 Q485	S477-Q481 VanDerWaalsContact O-CB 3.3Å; S477-Q481 WeakPolarHBondContact O-CB 3.36Å; S477-Q481 PolarHBondContact O-N 2.89Å; I478-Q481 PolarHBondContact O-N 2.83Å; I478-Q481 VanDerWaalsContact O-N 3.16Å; V479-Q481 VanDerWaalsContact C-N 3.34Å; V479-Q481 PolarHBondContact O-N 2.79Å; Q481-L483 PolarHBondContact O-N 3.38Å; Q481-R484 PolarHBondContact O-N 2.88Å; Q481-Q485 HydrophobicContact CG-CG 4.27Å; Q481-Q485 VanDerWaalsContact NE2-NE2 3.14Å; Q481-Q485 WeakPolarHBondContact O-CB 3.44Å; Q481-Q485 VanDerWaalsContact O-CG 3.31Å; Q481-Q485 WeakPolarHBondContact O-CG 3.22Å; Q481-Q485 PolarHBondContact O-N 3.3Å
482	S	97.8	Very high	97.1	Very high	34 Å²	34	41.8 Å²	41.8	24%	0.238	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-45.3	178.1	-58.6	0	0	0	0	111.8	I478 V479 R484 Q485 A486	I478-S482 PolarHBondContact O-N 2.84Å; I478-S482 PolarHBondContact O-OG 3.12Å; I478-S482 VanDerWaalsContact O-OG 3.06Å; V479-S482 PolarHBondContact O-N 3.41Å; S482-R484 PolarHBondContact O-N 2.95Å; S482-Q485 PolarHBondContact O-N 3.49Å; S482-A486 WeakPolarHBondContact O-CB 3.39Å; S482-A486 PolarHBondContact O-N 3.46Å
483	L	97.5	Very high	96.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.4	-43.1	176.1	-67	168.1	0	0	0	111.9	V479 Q481 A486 G487 L488 V490 I498 I540 V555 L558	V479-L483 HydrophobicContact CG1-CD1 3.82Å; V479-L483 HydrophobicContact CG1-CG 4.34Å; V479-L483 VanDerWaalsContact O-CG 3.22Å; V479-L483 WeakPolarHBondContact O-CG 3.19Å; V479-L483 PolarHBondContact O-N 3.05Å; Q481-L483 PolarHBondContact O-N 3.38Å; L483-A486 PolarHBondContact O-N 2.73Å; L483-G487 PolarHBondContact O-N 2.98Å; L483-L488 HydrophobicContact CB-CD1 4.49Å; L483-L488 HydrophobicContact CD2-CD1 3.51Å; L483-L488 WeakPolarHBondContact O-CB 3.48Å; L483-L488 PolarHBondContact O-N 2.9Å; L483-L488 VanDerWaalsContact O-N 3.07Å; L483-V490 HydrophobicContact CB-CG2 3.53Å; L483-V490 HydrophobicContact CD1-CG2 4.33Å; L483-I498 HydrophobicContact CD1-CG2 3.86Å; L483-I540 HydrophobicContact CD1-CD1 3.81Å; L483-I540 HydrophobicContact CD2-CD1 4.48Å; L483-V555 HydrophobicContact CD2-CG2 3.89Å; L483-V555 HydrophobicContact CG-CG2 4.26Å; L483-L558 HydrophobicContact CD2-CD1 3.51Å
484	R	95.9	Very high	96.6	Very high	100 Å²	100	43.4 Å²	43.4	38%	0.377	23%	0.225	S	C	.	.	H	α-helix	trans	-65.2	-43	177.1	-75.2	173.9	66.4	155.5	6.1	112.8	R480 Q481 S482 A486 G487 V490 E492	R480-R484 WeakPolarHBondContact O-CB 3.16Å; R480-R484 VanDerWaalsContact O-CG 3.28Å; R480-R484 WeakPolarHBondContact O-CG 3.23Å; R480-R484 PolarHBondContact O-N 3.29Å; Q481-R484 PolarHBondContact O-N 2.88Å; S482-R484 PolarHBondContact O-N 2.95Å; R484-A486 VanDerWaalsContact C-N 3.27Å; R484-A486 PolarHBondContact O-N 2.81Å; R484-G487 PolarHBondContact O-N 3.33Å; R484-V490 HydrophobicContact CG-CB 4.22Å; R484-V490 HydrophobicContact CG-CG2 4.24Å; R484-E492 WeakPolarHBondContact CD-OE1 3.25Å; R484-E492 IonicContact CZ-OE1 3.78Å; R484-E492 IonicContact CZ-OE2 3.16Å; R484-E492 IonicContact NE-OE1 3.09Å; R484-E492 PolarHBondContact NE-OE1 2.91Å; R484-E492 VanDerWaalsContact NE-OE1 3.16Å; R484-E492 IonicContact NH1-OE1 3.92Å; R484-E492 PolarHBondContact NH1-OE1 2.82Å; R484-E492 IonicContact NH1-OE2 3.03Å; R484-E492 PolarHBondContact NH1-OE2 3.01Å; R484-E492 IonicContact NH2-OE1 3.39Å
485	Q	95.9	Very high	96.6	Very high	81 Å²	81	38.4 Å²	38.4	38%	0.379	20%	0.203	S	C	.	.	H	α-helix	trans	-65.1	-33.3	178.9	-75.9	175.3	-14.9	0	0	111.7	Q481 S482 G487 A574 I577	Q481-Q485 HydrophobicContact CG-CG 4.27Å; Q481-Q485 VanDerWaalsContact NE2-NE2 3.14Å; Q481-Q485 WeakPolarHBondContact O-CB 3.44Å; Q481-Q485 VanDerWaalsContact O-CG 3.31Å; Q481-Q485 WeakPolarHBondContact O-CG 3.22Å; Q481-Q485 PolarHBondContact O-N 3.3Å; S482-Q485 PolarHBondContact O-N 3.49Å; Q485-G487 PolarHBondContact O-N 3.2Å; Q485-A574 WeakPolarHBondContact O-CB 3.43Å; Q485-I577 HydrophobicContact CG-CD1 4.13Å
486	A	96.3	Very high	96.6	Very high	31 Å²	31	37 Å²	37	26%	0.256	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-7.9	171.8	0	0	0	0	0	114.1	S482 L483 R484 L488 V555	S482-A486 WeakPolarHBondContact O-CB 3.39Å; S482-A486 PolarHBondContact O-N 3.46Å; L483-A486 PolarHBondContact O-N 2.73Å; R484-A486 VanDerWaalsContact C-N 3.27Å; R484-A486 PolarHBondContact O-N 2.81Å; A486-L488 HydrophobicContact CB-CD1 4.35Å; A486-L488 HydrophobicContact CB-CG 4.46Å; A486-V555 HydrophobicContact CB-CG1 3.56Å
487	G	96.1	Very high	96.6	Very high	1 Å²	1	37 Å²	37	1%	0.01	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	15.8	-179.1	0	0	0	0	0	114	L483 R484 Q485 L569 N570	L483-G487 PolarHBondContact O-N 2.98Å; R484-G487 PolarHBondContact O-N 3.33Å; Q485-G487 PolarHBondContact O-N 3.2Å; G487-L569 CarbonylContact O-C 3.55Å; G487-L569 VanDerWaalsContact O-CA 3.28Å; G487-L569 WeakPolarHBondContact O-CA 3.09Å; G487-N570 PolarHBondContact O-N 3Å
488	L	97.1	Very high	96.6	Very high	4 Å²	4	34 Å²	34	2%	0.021	18%	0.177	C	C	.	.			trans	-70.1	146.3	176.5	-70.7	163.1	0	0	0	110.6	L483 A486 V490 L500 L558 W562 L569	L483-L488 HydrophobicContact CB-CD1 4.49Å; L483-L488 HydrophobicContact CD2-CD1 3.51Å; L483-L488 WeakPolarHBondContact O-CB 3.48Å; L483-L488 PolarHBondContact O-N 2.9Å; L483-L488 VanDerWaalsContact O-N 3.07Å; A486-L488 HydrophobicContact CB-CD1 4.35Å; A486-L488 HydrophobicContact CB-CG 4.46Å; L488-V490 PolarHBondContact O-N 3.49Å; L488-L500 HydrophobicContact CB-CD1 3.71Å; L488-L500 HydrophobicContact CD2-CD2 4.49Å; L488-L558 HydrophobicContact CD1-CB 3.75Å; L488-L558 HydrophobicContact CD1-CD1 4.13Å; L488-L558 HydrophobicContact CD2-CB 4.33Å; L488-W562 HydrophobicContact CD2-CB 4.27Å; L488-W562 HydrophobicContact CD2-CD2 3.61Å; L488-W562 HydrophobicContact CD2-CE3 4Å; L488-W562 HydrophobicContact CD2-CG 3.71Å; L488-L569 HydrophobicContact CD2-CD2 3.8Å; L488-L569 HydrophobicContact CG-CD2 4.25Å
489	P	95.6	Very high	96.6	Very high	26 Å²	26	31.8 Å²	31.8	17%	0.169	17%	0.166	C	C	.	.			trans	-74.7	65.6	-175.5	32.6	-39.5	0	0	0	113.3	I491 L500 H501 W562	P489-I491 PolarHBondContact O-N 3.44Å; P489-L500 VanDerWaalsContact C-CD1 3.45Å; P489-L500 HydrophobicContact CG-CD1 4.05Å; P489-L500 HydrophobicContact CG-CG 4.36Å; P489-L500 WeakPolarHBondContact O-CD1 3.48Å; P489-H501 WeakPolarHBondContact CG-O 3.41Å; P489-H501 PolarHBondContact O-N 3.49Å; P489-W562 HydrophobicContact CG-CZ2 4.01Å
490	V	96.6	Very high	96.5	Very high	18 Å²	18	31.8 Å²	31.8	11%	0.109	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-70.1	126.6	177.3	-178.2	0	0	0	0	109.8	R480 L483 R484 L488 E492 I498 L500	R480-V490 HydrophobicContact CG-CG1 4.4Å; L483-V490 HydrophobicContact CB-CG2 3.53Å; L483-V490 HydrophobicContact CD1-CG2 4.33Å; R484-V490 HydrophobicContact CG-CB 4.22Å; R484-V490 HydrophobicContact CG-CG2 4.24Å; L488-V490 PolarHBondContact O-N 3.49Å; V490-E492 PolarHBondContact O-N 2.87Å; V490-I498 HydrophobicContact CG1-CG2 3.79Å; V490-L500 HydrophobicContact CG2-CD1 3.88Å
491	I	94.4	Very high	96.5	Very high	48 Å²	48	33.3 Å²	33.3	25%	0.246	17%	0.174	C	C	.	.			trans	-74.7	120.3	169.5	-65.7	173.8	0	0	0	107.7	P489 A493 P499 H501	P489-I491 PolarHBondContact O-N 3.44Å; I491-A493 PolarHBondContact O-N 3.08Å; I491-P499 HydrophobicContact CB-CB 4.15Å; I491-P499 HydrophobicContact CB-CG 3.92Å; I491-P499 HydrophobicContact CD1-CB 4.13Å; I491-P499 HydrophobicContact CG2-CG 4.25Å; I491-P499 PolarHBondContact N-O 2.97Å; I491-H501 HydrophobicContact CD1-CB 4.05Å; I491-H501 HydrophobicContact CG1-CB 4.13Å
492	E	93.7	Very high	96.4	Very high	100 Å²	100	29.7 Å²	29.7	47%	0.467	16%	0.159	S	C	.	.			trans	-70.6	115.5	-179.9	-67.3	-63.1	147.5	0	0	110.3	R484 V490	R484-E492 WeakPolarHBondContact CD-OE1 3.25Å; R484-E492 IonicContact CZ-OE1 3.78Å; R484-E492 IonicContact CZ-OE2 3.16Å; R484-E492 IonicContact NE-OE1 3.09Å; R484-E492 PolarHBondContact NE-OE1 2.91Å; R484-E492 VanDerWaalsContact NE-OE1 3.16Å; R484-E492 IonicContact NH1-OE1 3.92Å; R484-E492 PolarHBondContact NH1-OE1 2.82Å; R484-E492 IonicContact NH1-OE2 3.03Å; R484-E492 PolarHBondContact NH1-OE2 3.01Å; R484-E492 IonicContact NH2-OE1 3.39Å; V490-E492 PolarHBondContact O-N 2.87Å
493	A	92	Very high	96.3	Very high	9 Å²	9	29.2 Å²	29.2	7%	0.074	16%	0.159	C	C	.	.			trans	-147.2	145.8	178	0	0	0	0	0	110.2	S356 G357 R480 I491 S495	S356-A493 WeakPolarHBondContact O-CB 3.04Å; G357-A493 VanDerWaalsContact O-CB 3.25Å; G357-A493 WeakPolarHBondContact O-CB 3.43Å; R480-A493 PolarHBondContact NH2-O 3.4Å; I491-A493 PolarHBondContact O-N 3.08Å; A493-S495 PolarHBondContact O-N 3.04Å
494	P	95.4	Very high	96.2	Very high	87 Å²	87	33.3 Å²	33.3	57%	0.565	18%	0.178	S	C	*	.	S	Bend	trans	-79.5	-11.2	-172.9	30	-34.6	0	0	0	114.6	V359	V359-P494 HydrophobicContact CB-CG 3.93Å; V359-P494 HydrophobicContact CG2-CB 4.48Å; V359-P494 HydrophobicContact CG2-CG 3.81Å
495	S	98	Very high	96.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-81.5	-172.8	-175.5	75.6	0	0	0	0	114	G357 Y387 R480 A493 I497	G357-S495 VanDerWaalsContact C-OG 3.29Å; G357-S495 WeakPolarHBondContact CA-OG 3.29Å; G357-S495 WeakPolarHBondContact O-CB 3.18Å; G357-S495 PolarHBondContact O-N 3.17Å; G357-S495 PolarHBondContact O-OG 2.87Å; Y387-S495 VanDerWaalsContact OH-CA 3.31Å; Y387-S495 WeakPolarHBondContact OH-CA 3.38Å; Y387-S495 WeakPolarHBondContact OH-CB 3.39Å; R480-S495 PolarHBondContact NH2-O 2.71Å; A493-S495 PolarHBondContact O-N 3.04Å; S495-I497 VanDerWaalsContact C-N 3.28Å; S495-I497 PolarHBondContact OG-N 3.3Å
496	H	98.4	Very high	96.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-79.7	-7.8	173.7	62.2	-74.3	0	0	0	113.7	Y221 H382 L386 Y387 H472 V476	Y221-H496 AromaticContact CD1-CD2 3.64Å; Y221-H496 AromaticContact CD1-NE2 3.79Å; Y221-H496 AromaticContact CD2-NE2 4Å; Y221-H496 AromaticContact CE1-CD2 3.67Å; Y221-H496 AromaticContact CE1-NE2 3.48Å; Y221-H496 WeakPolarHBondContact CE1-NE2 3.43Å; Y221-H496 AromaticContact CE2-NE2 3.65Å; Y221-H496 AromaticContact CZ-NE2 3.38Å; H382-H496 PolarHBondContact O-CE1 3.14Å; L386-H496 WeakPolarHBondContact CD1-CE1 3.49Å; L386-H496 WeakPolarHBondContact CD1-NE2 3.31Å; Y387-H496 AromaticContact CE2-ND1 3.73Å; Y387-H496 AromaticContact CZ-ND1 3.75Å; Y387-H496 PolarHBondContact OH-N 3.17Å; Y387-H496 VanDerWaalsContact OH-N 3.12Å; Y387-H496 PolarHBondContact OH-ND1 3.19Å; H472-H496 WeakPolarHBondContact CE1-CB 3.46Å; H472-H496 AromaticContact CE1-CD2 3.83Å; H472-H496 AromaticContact CE1-CG 3.62Å; V476-H496 HydrophobicContact CG2-CB 3.74Å
497	I	98.3	Very high	96.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.			trans	-88	128.7	179.2	-58.8	164.5	0	0	0	107.9	V352 S495 P499 R539	V352-I497 HydrophobicContact CG1-CD1 4.08Å; S495-I497 VanDerWaalsContact C-N 3.28Å; S495-I497 PolarHBondContact OG-N 3.3Å; I497-P499 WeakPolarHBondContact O-CD 3.45Å; I497-R539 HydrophobicContact CG2-CG 3.85Å
498	I	98.1	Very high	96.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	96.8	-179.5	-53.7	174.2	0	0	0	108.2	V476 V479 R480 L483 V490 I540 P542	V476-I498 HydrophobicContact CG1-CD1 4.37Å; V479-I498 HydrophobicContact CB-CD1 4.06Å; V479-I498 HydrophobicContact CG1-CD1 3.85Å; R480-I498 HydrophobicContact CB-CD1 3.99Å; L483-I498 HydrophobicContact CD1-CG2 3.86Å; V490-I498 HydrophobicContact CG1-CG2 3.79Å; I498-I540 HydrophobicContact CB-CB 4.23Å; I498-I540 PolarHBondContact N-O 3.4Å; I498-I540 WeakPolarHBondContact O-CB 3.28Å; I498-I540 PolarHBondContact O-N 3.39Å; I498-P542 HydrophobicContact CD1-CG 3.72Å
499	P	97.4	Very high	96.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	131.8	177.4	9.5	7.4	0	0	0	110.2	S356 I491 I497	S356-P499 VanDerWaalsContact O-CG 3.22Å; S356-P499 WeakPolarHBondContact O-CG 3.26Å; I491-P499 HydrophobicContact CB-CB 4.15Å; I491-P499 HydrophobicContact CB-CG 3.92Å; I491-P499 HydrophobicContact CD1-CB 4.13Å; I491-P499 HydrophobicContact CG2-CG 4.25Å; I491-P499 PolarHBondContact N-O 2.97Å; I497-P499 WeakPolarHBondContact O-CD 3.45Å
500	L	97	Very high	96.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	110.3	175.3	-169.6	70.7	0	0	0	109.4	L488 P489 V490 R537 L538 L558 W562	L488-L500 HydrophobicContact CB-CD1 3.71Å; L488-L500 HydrophobicContact CD2-CD2 4.49Å; P489-L500 VanDerWaalsContact C-CD1 3.45Å; P489-L500 HydrophobicContact CG-CD1 4.05Å; P489-L500 HydrophobicContact CG-CG 4.36Å; P489-L500 WeakPolarHBondContact O-CD1 3.48Å; V490-L500 HydrophobicContact CG2-CD1 3.88Å; L500-R537 CarbonylContact O-C 3.31Å; L500-R537 WeakPolarHBondContact O-CA 3.22Å; L500-R537 VanDerWaalsContact O-CB 3.23Å; L500-R537 WeakPolarHBondContact O-CB 3.47Å; L500-L538 HydrophobicContact CB-CB 4.26Å; L500-L538 HydrophobicContact CD2-CD1 4.35Å; L500-L538 PolarHBondContact N-O 2.78Å; L500-L538 PolarHBondContact O-N 3.42Å; L500-L558 HydrophobicContact CD2-CD1 4.31Å; L500-L558 HydrophobicContact CD2-CD2 4.09Å; L500-W562 HydrophobicContact CD2-CH2 3.22Å; L500-W562 HydrophobicContact CD2-CZ2 3.71Å; L500-W562 HydrophobicContact CD2-CZ3 3.68Å; L500-W562 HydrophobicContact CG-CH2 3.85Å; L500-W562 HydrophobicContact CG-CZ2 3.95Å
501	H	96.7	Very high	96.3	Very high	67 Å²	67	33.9 Å²	33.9	31%	0.31	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	136.5	-173.9	-176.5	-101.6	0	0	0	111.4	P489 I491 G534	P489-H501 WeakPolarHBondContact CG-O 3.41Å; P489-H501 PolarHBondContact O-N 3.49Å; I491-H501 HydrophobicContact CD1-CB 4.05Å; I491-H501 HydrophobicContact CG1-CB 4.13Å; H501-G534 PolarHBondContact NE2-O 2.93Å
502	V	96.9	Very high	96.4	Very high	18 Å²	18	31.6 Å²	31.6	11%	0.109	17%	0.165	C	C	.	.			trans	-123	-41.7	173.6	-177.7	0	0	0	0	110.5	E504 L507 C508 I511 E536 L538 W562	V502-E504 VanDerWaalsContact C-N 3.32Å; V502-E504 PolarHBondContact O-N 2.85Å; V502-L507 HydrophobicContact CG1-CB 4.38Å; V502-L507 HydrophobicContact CG1-CD2 4.31Å; V502-L507 HydrophobicContact CG1-CG 4.11Å; V502-C508 HydrophobicContact CB-CB 3.97Å; V502-C508 HydrophobicContact CG1-CB 3.85Å; V502-C508 HydrophobicContact CG2-CB 4.25Å; V502-I511 HydrophobicContact CG1-CD1 4.03Å; V502-I511 HydrophobicContact CG2-CD1 4.37Å; V502-E536 PolarHBondContact N-O 3.28Å; V502-L538 HydrophobicContact CG2-CG 4.38Å; V502-W562 HydrophobicContact CG2-CH2 3.94Å; V502-W562 HydrophobicContact CG2-CZ2 4.11Å
503	G	95.5	Very high	96.5	Very high	24 Å²	24	30.6 Å²	30.6	25%	0.247	16%	0.16	C	C	.	.			trans	74.9	10	173.6	0	0	0	0	0	116.6	G534 E536	G503-G534 VanDerWaalsContact CA-O 3.25Å; G503-G534 WeakPolarHBondContact CA-O 3.27Å; G503-E536 PolarHBondContact N-O 2.94Å
504	E	95.3	Very high	96.8	Very high	86 Å²	86	30.7 Å²	30.7	40%	0.402	16%	0.159	S	C	.	.			trans	-149.5	124.5	173.6	-162.7	-82	119.1	0	0	110.7	V502 K506 L507 C508 E536	V502-E504 VanDerWaalsContact C-N 3.32Å; V502-E504 PolarHBondContact O-N 2.85Å; E504-K506 PolarHBondContact O-N 3.48Å; E504-K506 WeakPolarHBondContact OE1-CA 3.46Å; E504-K506 WeakPolarHBondContact OE1-CB 3.44Å; E504-K506 PolarHBondContact OE1-N 3.23Å; E504-L507 HydrophobicContact CB-CB 4.3Å; E504-L507 PolarHBondContact O-N 3.41Å; E504-L507 WeakPolarHBondContact OE2-CA 3.41Å; E504-L507 WeakPolarHBondContact OE2-CB 3.3Å; E504-L507 PolarHBondContact OE2-N 3.38Å; E504-C508 VanDerWaalsContact O-CB 3.22Å; E504-C508 WeakPolarHBondContact O-CB 3.2Å; E504-C508 PolarHBondContact O-N 2.91Å; E504-E536 PolarHBondContact N-OE2 3.4Å
505	A	95	Very high	96.9	Very high	6 Å²	6	26.6 Å²	26.6	5%	0.05	13%	0.133	C	C	.	.	H	α-helix	trans	-62.8	-42.3	-170.8	0	0	0	0	0	114.8	T509 N527 E536	A505-T509 WeakPolarHBondContact O-CB 3.4Å; A505-T509 PolarHBondContact O-N 2.89Å; A505-T509 PolarHBondContact O-OG1 3.18Å; A505-N527 HydrophobicContact CB-CB 4.07Å; A505-N527 PolarHBondContact O-ND2 3.06Å; A505-E536 HydrophobicContact CB-CG 3.97Å
506	K	95.6	Very high	96.8	Very high	115 Å²	115	26.9 Å²	26.9	50%	0.5	13%	0.134	S	C	.	.	H	α-helix	trans	-67.5	-46	-178.5	-172.8	-180	-179	176.5	0	110.4	E504 T509 K510	E504-K506 PolarHBondContact O-N 3.48Å; E504-K506 WeakPolarHBondContact OE1-CA 3.46Å; E504-K506 WeakPolarHBondContact OE1-CB 3.44Å; E504-K506 PolarHBondContact OE1-N 3.23Å; K506-T509 PolarHBondContact O-N 3.04Å; K506-K510 WeakPolarHBondContact O-CG 3.46Å; K506-K510 PolarHBondContact O-N 3.32Å
507	L	96.4	Very high	96.7	Very high	31 Å²	31	29.6 Å²	29.6	16%	0.162	15%	0.153	C	C	.	.	H	α-helix	trans	-65.4	-44.8	177	-179.1	57.7	0	0	0	111.5	V502 E504 T509 K510 I511 Y565 L567	V502-L507 HydrophobicContact CG1-CB 4.38Å; V502-L507 HydrophobicContact CG1-CD2 4.31Å; V502-L507 HydrophobicContact CG1-CG 4.11Å; E504-L507 HydrophobicContact CB-CB 4.3Å; E504-L507 PolarHBondContact O-N 3.41Å; E504-L507 WeakPolarHBondContact OE2-CA 3.41Å; E504-L507 WeakPolarHBondContact OE2-CB 3.3Å; E504-L507 PolarHBondContact OE2-N 3.38Å; L507-T509 PolarHBondContact O-N 2.68Å; L507-K510 PolarHBondContact O-N 2.73Å; L507-K510 VanDerWaalsContact O-N 3.12Å; L507-I511 HydrophobicContact CD1-CD1 4.1Å; L507-I511 HydrophobicContact CD1-CG1 4.17Å; L507-I511 HydrophobicContact CG-CD1 3.91Å; L507-I511 HydrophobicContact CG-CG1 4.44Å; L507-I511 VanDerWaalsContact O-CG1 3.31Å; L507-I511 WeakPolarHBondContact O-CG1 3.5Å; L507-I511 PolarHBondContact O-N 3.26Å; L507-Y565 HydrophobicContact CD1-CD1 3.57Å; L507-Y565 HydrophobicContact CD1-CD2 4.23Å; L507-Y565 HydrophobicContact CD1-CE1 4.16Å; L507-Y565 HydrophobicContact CD1-CG 3.63Å; L507-L567 HydrophobicContact CD2-CD1 4.07Å; L507-L567 HydrophobicContact CD2-CD2 3.67Å; L507-L567 HydrophobicContact CD2-CG 4.14Å
508	C	97.2	Very high	96.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56.4	-43	176.3	-167.8	0	0	0	0	111.3	V502 E504 I511 S512 S525 E536 R537	V502-C508 HydrophobicContact CB-CB 3.97Å; V502-C508 HydrophobicContact CG1-CB 3.85Å; V502-C508 HydrophobicContact CG2-CB 4.25Å; E504-C508 VanDerWaalsContact O-CB 3.22Å; E504-C508 WeakPolarHBondContact O-CB 3.2Å; E504-C508 PolarHBondContact O-N 2.91Å; C508-I511 PolarHBondContact O-N 2.87Å; C508-S512 PolarHBondContact O-N 3.26Å; C508-S512 VanDerWaalsContact O-N 3.08Å; C508-S525 WeakPolarHBondContact O-CB 3.4Å; C508-S525 VanDerWaalsContact SG-CB 3.57Å; C508-E536 HydrophobicContact CB-CB 4.16Å; C508-R537 VanDerWaalsContact SG-C 3.57Å; C508-R537 PolarHBondContact SG-O 3.31Å
509	T	96.5	Very high	96.5	Very high	31 Å²	31	37 Å²	37	19%	0.19	19%	0.188	C	C	.	.	H	α-helix	trans	-65	-44.6	175.8	-54.4	0	0	0	0	112.3	A505 K506 L507 I511 S512 E513 N527	A505-T509 WeakPolarHBondContact O-CB 3.4Å; A505-T509 PolarHBondContact O-N 2.89Å; A505-T509 PolarHBondContact O-OG1 3.18Å; K506-T509 PolarHBondContact O-N 3.04Å; L507-T509 PolarHBondContact O-N 2.68Å; T509-I511 PolarHBondContact O-N 2.83Å; T509-S512 PolarHBondContact O-N 2.9Å; T509-E513 WeakPolarHBondContact O-CG 3.21Å; T509-E513 PolarHBondContact O-N 3.12Å; T509-N527 PolarHBondContact OG1-ND2 3.46Å
510	K	96.6	Very high	96.5	Very high	90 Å²	90	40.8 Å²	40.8	39%	0.391	21%	0.208	S	C	.	.	H	α-helix	trans	-60.1	-43.4	176.5	-76.2	179.7	173.8	-169.9	0	112.7	K506 L507 E513 E514 Y565	K506-K510 WeakPolarHBondContact O-CG 3.46Å; K506-K510 PolarHBondContact O-N 3.32Å; L507-K510 PolarHBondContact O-N 2.73Å; L507-K510 VanDerWaalsContact O-N 3.12Å; K510-E513 PolarHBondContact O-N 3.2Å; K510-E514 WeakPolarHBondContact O-CB 3.48Å; K510-E514 PolarHBondContact O-N 3.14Å; K510-Y565 HydrophobicContact CB-CE1 4.49Å; K510-Y565 HydrophobicContact CD-CE1 4.3Å
511	I	97.8	Very high	96.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-47.7	176.8	-68.3	167.8	0	0	0	110.2	V502 L507 C508 T509 E513 E514 L515 L538 V561 W562 Y565 L567	V502-I511 HydrophobicContact CG1-CD1 4.03Å; V502-I511 HydrophobicContact CG2-CD1 4.37Å; L507-I511 HydrophobicContact CD1-CD1 4.1Å; L507-I511 HydrophobicContact CD1-CG1 4.17Å; L507-I511 HydrophobicContact CG-CD1 3.91Å; L507-I511 HydrophobicContact CG-CG1 4.44Å; L507-I511 VanDerWaalsContact O-CG1 3.31Å; L507-I511 WeakPolarHBondContact O-CG1 3.5Å; L507-I511 PolarHBondContact O-N 3.26Å; C508-I511 PolarHBondContact O-N 2.87Å; T509-I511 PolarHBondContact O-N 2.83Å; I511-E513 VanDerWaalsContact C-N 3.31Å; I511-E513 PolarHBondContact O-N 3.29Å; I511-E514 PolarHBondContact O-N 3.24Å; I511-L515 HydrophobicContact CG2-CD1 3.89Å; I511-L515 HydrophobicContact CG2-CG 4.46Å; I511-L515 WeakPolarHBondContact O-CB 3.4Å; I511-L515 VanDerWaalsContact O-CG 3.28Å; I511-L515 WeakPolarHBondContact O-CG 3.41Å; I511-L515 PolarHBondContact O-N 3.25Å; I511-L538 HydrophobicContact CG2-CD1 3.8Å; I511-V561 HydrophobicContact CB-CG1 4.2Å; I511-V561 HydrophobicContact CG1-CG1 4.02Å; I511-V561 HydrophobicContact CG2-CG1 3.86Å; I511-W562 HydrophobicContact CD1-CH2 4.32Å; I511-W562 HydrophobicContact CD1-CZ3 4.27Å; I511-W562 HydrophobicContact CG2-CE3 4.36Å; I511-W562 HydrophobicContact CG2-CH2 4.39Å; I511-W562 HydrophobicContact CG2-CZ3 3.7Å; I511-Y565 HydrophobicContact CG1-CD2 3.88Å; I511-Y565 HydrophobicContact CG1-CE2 4.11Å; I511-L567 HydrophobicContact CD1-CD1 3.57Å
512	S	97.4	Very high	96.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.6	-40.4	176.2	175.7	0	0	0	0	112.4	C508 T509 L516 V523 S525	C508-S512 PolarHBondContact O-N 3.26Å; C508-S512 VanDerWaalsContact O-N 3.08Å; T509-S512 PolarHBondContact O-N 2.9Å; S512-L516 WeakPolarHBondContact O-CB 3.21Å; S512-L516 PolarHBondContact O-N 3.01Å; S512-V523 WeakPolarHBondContact CB-O 3.4Å; S512-V523 PolarHBondContact OG-O 2.98Å; S512-S525 PolarHBondContact OG-N 2.88Å
513	E	96.2	Very high	96.7	Very high	78 Å²	78	38.6 Å²	38.6	36%	0.364	20%	0.196	S	C	.	.	H	α-helix	trans	-65.4	-43.3	176.6	-77.1	178.2	166.1	0	0	113	R190 T509 K510 I511 L516 S517	R190-E513 IonicContact CZ-OE1 3.96Å; R190-E513 IonicContact NH1-OE1 3.29Å; R190-E513 PolarHBondContact NH1-OE1 3.16Å; R190-E513 IonicContact NH2-OE1 2.99Å; R190-E513 PolarHBondContact NH2-OE1 3.34Å; T509-E513 WeakPolarHBondContact O-CG 3.21Å; T509-E513 PolarHBondContact O-N 3.12Å; K510-E513 PolarHBondContact O-N 3.2Å; I511-E513 VanDerWaalsContact C-N 3.31Å; I511-E513 PolarHBondContact O-N 3.29Å; E513-L516 PolarHBondContact O-N 2.95Å; E513-S517 VanDerWaalsContact O-CB 3.32Å; E513-S517 WeakPolarHBondContact O-CB 3.31Å; E513-S517 PolarHBondContact O-N 2.91Å; E513-S517 PolarHBondContact O-OG 2.9Å
514	E	96.9	Very high	96.8	Very high	12 Å²	12	40 Å²	40	6%	0.056	20%	0.196	C	C	.	.	H	α-helix	trans	-69.4	-43	-179.4	-172.4	167.8	139.1	0	0	112.1	K510 I511 L516 S517 E518 V561 K564 Y565	K510-E514 WeakPolarHBondContact O-CB 3.48Å; K510-E514 PolarHBondContact O-N 3.14Å; I511-E514 PolarHBondContact O-N 3.24Å; E514-L516 PolarHBondContact O-N 3.32Å; E514-S517 PolarHBondContact O-N 3.02Å; E514-E518 HydrophobicContact CG-CB 4.31Å; E514-E518 HydrophobicContact CG-CG 4.18Å; E514-E518 WeakPolarHBondContact O-CB 3.28Å; E514-E518 PolarHBondContact O-N 3.25Å; E514-V561 HydrophobicContact CB-CG1 4.47Å; E514-V561 HydrophobicContact CG-CG2 4.05Å; E514-K564 WeakPolarHBondContact OE1-CD 3.28Å; E514-K564 WeakPolarHBondContact OE1-CE 3.34Å; E514-K564 IonicContact OE1-NZ 3.98Å; E514-K564 PolarHBondContact OE1-NZ 2.88Å; E514-K564 IonicContact OE2-NZ 3.41Å; E514-K564 PolarHBondContact OE2-NZ 3.36Å; E514-Y565 VanDerWaalsContact OE2-CE2 3.25Å; E514-Y565 WeakPolarHBondContact OE2-CE2 3.43Å; E514-Y565 VanDerWaalsContact OE2-CZ 3.3Å; E514-Y565 PolarHBondContact OE2-OH 3.05Å
515	L	97.8	Very high	96.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57	-40.4	172.8	-71.4	167.4	0	0	0	111.2	I511 H519 N520 I521 V523 L538 L558 V561	I511-L515 HydrophobicContact CG2-CD1 3.89Å; I511-L515 HydrophobicContact CG2-CG 4.46Å; I511-L515 WeakPolarHBondContact O-CB 3.4Å; I511-L515 VanDerWaalsContact O-CG 3.28Å; I511-L515 WeakPolarHBondContact O-CG 3.41Å; I511-L515 PolarHBondContact O-N 3.25Å; L515-H519 CarbonylContact O-C 3.48Å; L515-H519 VanDerWaalsContact O-C 3.31Å; L515-H519 WeakPolarHBondContact O-CA 3.49Å; L515-H519 WeakPolarHBondContact O-CB 3.32Å; L515-H519 PolarHBondContact O-N 3.43Å; L515-N520 PolarHBondContact O-N 3.48Å; L515-N520 VanDerWaalsContact O-N 3.14Å; L515-I521 CarbonylContact C-O 3.54Å; L515-I521 HydrophobicContact CB-CB 4.3Å; L515-I521 HydrophobicContact CB-CG2 4.31Å; L515-I521 PolarHBondContact O-N 2.99Å; L515-V523 HydrophobicContact CD1-CG1 3.43Å; L515-V523 VanDerWaalsContact CD1-CG1 3.43Å; L515-L538 HydrophobicContact CD1-CD1 4.03Å; L515-L558 HydrophobicContact CD1-CD2 3.62Å; L515-L558 HydrophobicContact CD2-CD2 4.22Å; L515-L558 HydrophobicContact CD2-CG 4.43Å; L515-V561 HydrophobicContact CD2-CG2 3.89Å; L515-V561 HydrophobicContact CG-CG2 4.27Å
516	L	97	Very high	96.9	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-70.4	-46.1	178	-178.2	65	0	0	0	112.1	R190 D204 V213 S512 E513 E514 I521 Y522	R190-L516 HydrophobicContact CG-CD2 4.12Å; D204-L516 HydrophobicContact CB-CD1 4.4Å; V213-L516 HydrophobicContact CB-CD1 4.28Å; V213-L516 HydrophobicContact CG1-CD1 3.85Å; V213-L516 HydrophobicContact CG2-CD1 4.31Å; S512-L516 WeakPolarHBondContact O-CB 3.21Å; S512-L516 PolarHBondContact O-N 3.01Å; E513-L516 PolarHBondContact O-N 2.95Å; E514-L516 PolarHBondContact O-N 3.32Å; L516-I521 VanDerWaalsContact CA-O 3.28Å; L516-I521 WeakPolarHBondContact CA-O 3.38Å; L516-I521 PolarHBondContact N-O 2.97Å; L516-I521 VanDerWaalsContact N-O 3.12Å; L516-Y522 HydrophobicContact CD1-CD2 4.43Å; L516-Y522 HydrophobicContact CD1-CG 4.42Å
517	S	94.9	Very high	96.9	Very high	57 Å²	57	32.5 Å²	32.5	40%	0.399	16%	0.164	S	C	.	.	H	α-helix	trans	-86.1	-31	-169.2	69.5	0	0	0	0	114.5	R211 E513 E514	R211-S517 PolarHBondContact NH1-O 2.68Å; E513-S517 VanDerWaalsContact O-CB 3.32Å; E513-S517 WeakPolarHBondContact O-CB 3.31Å; E513-S517 PolarHBondContact O-N 2.91Å; E513-S517 PolarHBondContact O-OG 2.9Å; E514-S517 PolarHBondContact O-N 3.02Å
518	E	95.7	Very high	96.7	Very high	116 Å²	116	36 Å²	36	54%	0.542	18%	0.175	S	C	.	.	H	α-helix	trans	-107.1	-25.4	-176	-63.2	-178.3	-169.7	0	0	112	E514 K564	E514-E518 HydrophobicContact CG-CB 4.31Å; E514-E518 HydrophobicContact CG-CG 4.18Å; E514-E518 WeakPolarHBondContact O-CB 3.28Å; E514-E518 PolarHBondContact O-N 3.25Å; E518-K564 IonicContact OE1-NZ 2.89Å; E518-K564 PolarHBondContact OE1-NZ 2.77Å; E518-K564 IonicContact OE2-NZ 2.82Å; E518-K564 PolarHBondContact OE2-NZ 2.96Å; E518-K564 VanDerWaalsContact OE2-NZ 3.09Å
519	H	97.3	Very high	96.4	Very high	40 Å²	40	39.7 Å²	39.7	19%	0.185	20%	0.199	C	C	.	.	H	α-helix	trans	-120.3	2.1	-173	-59.8	-91.7	0	0	0	115.1	L515 I521 S557	L515-H519 CarbonylContact O-C 3.48Å; L515-H519 VanDerWaalsContact O-C 3.31Å; L515-H519 WeakPolarHBondContact O-CA 3.49Å; L515-H519 WeakPolarHBondContact O-CB 3.32Å; L515-H519 PolarHBondContact O-N 3.43Å; H519-I521 HydrophobicContact CB-CD1 4.14Å; H519-I521 PolarHBondContact O-N 2.82Å; H519-S557 WeakPolarHBondContact ND1-CB 3.42Å; H519-S557 PolarHBondContact ND1-OG 3.3Å; H519-S557 VanDerWaalsContact ND1-OG 3.13Å
520	N	97.3	Very high	96	Very high	79 Å²	79	41 Å²	41	42%	0.422	21%	0.207	S	C	.	.			trans	54.6	30.9	-177.6	-59.5	-43.9	0	0	0	114	R212 V213 A214 L515	R212-N520 WeakPolarHBondContact O-CB 3.4Å; V213-N520 CarbonylContact C-O 3.6Å; V213-N520 WeakPolarHBondContact CA-O 3.47Å; V213-N520 WeakPolarHBondContact CB-O 3.43Å; V213-N520 HydrophobicContact CG1-CB 4.31Å; A214-N520 PolarHBondContact N-O 3.44Å; L515-N520 PolarHBondContact O-N 3.48Å; L515-N520 VanDerWaalsContact O-N 3.14Å
521	I	98.3	Very high	95.8	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.7	-179.6	-74	159.7	0	0	0	109.2	L515 L516 H519 V523 L554 S557	L515-I521 CarbonylContact C-O 3.54Å; L515-I521 HydrophobicContact CB-CB 4.3Å; L515-I521 HydrophobicContact CB-CG2 4.31Å; L515-I521 PolarHBondContact O-N 2.99Å; L516-I521 VanDerWaalsContact CA-O 3.28Å; L516-I521 WeakPolarHBondContact CA-O 3.38Å; L516-I521 PolarHBondContact N-O 2.97Å; L516-I521 VanDerWaalsContact N-O 3.12Å; H519-I521 HydrophobicContact CB-CD1 4.14Å; H519-I521 PolarHBondContact O-N 2.82Å; I521-V523 HydrophobicContact CG2-CG1 4.43Å; I521-L554 HydrophobicContact CD1-CD1 4.43Å; I521-L554 HydrophobicContact CG2-CD1 3.81Å; I521-S557 VanDerWaalsContact CD1-CB 3.48Å; I521-S557 WeakPolarHBondContact CD1-OG 3.28Å
522	Y	98.2	Very high	95.6	Very high	33 Å²	33	43 Å²	43	13%	0.129	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	102.3	172.5	-176.5	-145.1	0	0	0	111.4	R190 I192 A214 V215 W216 C217 L516 Q524	R190-Y522 HydrophobicContact CB-CE2 4.32Å; R190-Y522 HydrophobicContact CG-CE2 3.8Å; I192-Y522 HydrophobicContact CD1-CD1 4.28Å; I192-Y522 HydrophobicContact CG1-CD1 4Å; I192-Y522 HydrophobicContact CG1-CE1 3.89Å; A214-Y522 PolarHBondContact O-N 3.14Å; V215-Y522 HydrophobicContact CG1-CD1 4Å; V215-Y522 HydrophobicContact CG2-CD1 4.28Å; W216-Y522 PolarHBondContact N-O 3.48Å; C217-Y522 VanDerWaalsContact SG-CE1 3.51Å; L516-Y522 HydrophobicContact CD1-CD2 4.43Å; L516-Y522 HydrophobicContact CD1-CG 4.42Å; Y522-Q524 HydrophobicContact CE2-CB 4.28Å; Y522-Q524 PolarHBondContact OH-OE1 2.97Å
523	V	97.9	Very high	95.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.256	C	S	.	.			trans	-124.6	129.2	163.8	62.6	0	0	0	0	108.8	W216 S512 L515 I521 L538 I540	W216-V523 HydrophobicContact CB-CB 4.37Å; S512-V523 WeakPolarHBondContact CB-O 3.4Å; S512-V523 PolarHBondContact OG-O 2.98Å; L515-V523 HydrophobicContact CD1-CG1 3.43Å; L515-V523 VanDerWaalsContact CD1-CG1 3.43Å; I521-V523 HydrophobicContact CG2-CG1 4.43Å; V523-L538 HydrophobicContact CG1-CD1 4.03Å; V523-L538 HydrophobicContact CG1-CD2 4.37Å; V523-L538 HydrophobicContact CG2-CB 3.95Å; V523-I540 HydrophobicContact CG2-CG1 3.94Å
524	Q	96.9	Very high	95.4	Very high	53 Å²	53	47.3 Å²	47.3	25%	0.248	26%	0.255	C	S	.	.			trans	-82.7	133.5	-173.5	-177.6	57.5	57.6	0	0	111	C217 Y522 I526	C217-Q524 HydrophobicContact CB-CB 4.05Å; Y522-Q524 HydrophobicContact CE2-CB 4.28Å; Y522-Q524 PolarHBondContact OH-OE1 2.97Å; Q524-I526 HydrophobicContact CB-CD1 4.5Å; Q524-I526 HydrophobicContact CG-CD1 4.09Å
525	S	96.9	Very high	95.4	Very high	10 Å²	10	50.1 Å²	50.1	7%	0.07	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	129.7	165.1	57.4	0	0	0	0	110.8	C508 S512	C508-S525 WeakPolarHBondContact O-CB 3.4Å; C508-S525 VanDerWaalsContact SG-CB 3.57Å; S512-S525 PolarHBondContact OG-N 2.88Å
526	I	96.4	Very high	95.3	Very high	24 Å²	24	50.5 Å²	50.5	12%	0.123	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	109.6	177.5	-52.6	-59.1	0	0	0	108.5	M355 Q524 T530 V531 E536 R537 R539	M355-I526 HydrophobicContact SD-CG2 3.86Å; Q524-I526 HydrophobicContact CB-CD1 4.5Å; Q524-I526 HydrophobicContact CG-CD1 4.09Å; I526-T530 HydrophobicContact CG2-CG2 3.53Å; I526-V531 HydrophobicContact CG2-CG1 3.79Å; I526-V531 HydrophobicContact CG2-CG2 4.14Å; I526-V531 WeakPolarHBondContact O-CG2 3.45Å; I526-E536 WeakPolarHBondContact O-CA 3.3Å; I526-R537 HydrophobicContact CB-CG 4.25Å; I526-R537 WeakPolarHBondContact CB-O 3.5Å; I526-R537 PolarHBondContact N-O 3.37Å; I526-R537 PolarHBondContact O-N 3.38Å; I526-R539 HydrophobicContact CD1-CB 4.41Å; I526-R539 HydrophobicContact CG1-CB 3.73Å
527	N	94.7	Very high	95.4	Very high	16 Å²	16	50.7 Å²	50.7	9%	0.086	27%	0.273	C	S	.	.			trans	-119.4	175.5	-179.2	-51.6	-28.7	0	0	0	110.6	A505 T509 T530 E536	A505-N527 HydrophobicContact CB-CB 4.07Å; A505-N527 PolarHBondContact O-ND2 3.06Å; T509-N527 PolarHBondContact OG1-ND2 3.46Å; N527-T530 WeakPolarHBondContact O-CB 3.33Å; N527-T530 PolarHBondContact O-N 2.92Å; N527-E536 HydrophobicContact CB-CG 4.15Å
528	Y	93.3	Very high	95.5	Very high	103 Å²	103	48 Å²	48	40%	0.404	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	139.9	170	-175.8	-93.6	0	0	0	112.2	T185 V531 I533	T185-Y528 HydrophobicContact CG2-CD1 4.27Å; Y528-V531 VanDerWaalsContact CA-O 3.28Å; Y528-V531 WeakPolarHBondContact CA-O 3.4Å; Y528-I533 HydrophobicContact CD2-CG1 4.06Å; Y528-I533 HydrophobicContact CG-CG1 4.18Å
529	P	90.7	Very high	95.6	Very high	78 Å²	78	43 Å²	43	51%	0.506	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.2	14.3	2.8	37.7	-39.8	0	0	0	115.2
530	T	87.8	Confident	95.7	Very high	59 Å²	59	41 Å²	41	36%	0.362	22%	0.221	S	C	.	.	S	Bend	trans	-76.7	-30.5	-179.1	-57.9	0	0	0	0	111.9	R187 M355 I526 N527	R187-T530 PolarHBondContact NH2-OG1 3.25Å; M355-T530 HydrophobicContact CE-CG2 4.14Å; M355-T530 HydrophobicContact CG-CG2 3.97Å; M355-T530 HydrophobicContact SD-CG2 3.64Å; I526-T530 HydrophobicContact CG2-CG2 3.53Å; N527-T530 WeakPolarHBondContact O-CB 3.33Å; N527-T530 PolarHBondContact O-N 2.92Å
531	V	93.1	Very high	95.7	Very high	13 Å²	13	37.3 Å²	37.3	8%	0.079	20%	0.201	C	C	.	.	S	Bend	trans	-133.3	163.6	170.7	-65.5	0	0	0	0	108.6	M355 I526 Y528	M355-V531 HydrophobicContact CB-CG1 3.91Å; M355-V531 HydrophobicContact CG-CG1 4.01Å; I526-V531 HydrophobicContact CG2-CG1 3.79Å; I526-V531 HydrophobicContact CG2-CG2 4.14Å; I526-V531 WeakPolarHBondContact O-CG2 3.45Å; Y528-V531 VanDerWaalsContact CA-O 3.28Å; Y528-V531 WeakPolarHBondContact CA-O 3.4Å
532	D	93.5	Very high	95.7	Very high	118 Å²	118	37 Å²	37	63%	0.631	20%	0.2	S	C	*	.			trans	-67.1	159.3	177.6	-71.3	-30	0	0	0	112.1	D535	D532-D535 HydrophobicContact CB-CB 4.27Å; D532-D535 VanDerWaalsContact O-CB 3.24Å; D532-D535 WeakPolarHBondContact O-CB 3.3Å; D532-D535 PolarHBondContact O-N 2.95Å; D532-D535 VanDerWaalsContact O-N 3.12Å
533	I	94.2	Very high	95.7	Very high	136 Å²	136	35.5 Å²	35.5	70%	0.697	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	131.9	177	-61.9	172.8	0	0	0	108.9	Y528 D535	Y528-I533 HydrophobicContact CD2-CG1 4.06Å; Y528-I533 HydrophobicContact CG-CG1 4.18Å; I533-D535 VanDerWaalsContact C-N 3.28Å
534	G	95.4	Very high	95.7	Very high	34 Å²	34	36.1 Å²	36.1	35%	0.351	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	-6.3	-173.1	0	0	0	0	0	113.7	H501 G503 E536	H501-G534 PolarHBondContact NE2-O 2.93Å; G503-G534 VanDerWaalsContact CA-O 3.25Å; G503-G534 WeakPolarHBondContact CA-O 3.27Å; G534-E536 VanDerWaalsContact C-OE2 3.26Å; G534-E536 WeakPolarHBondContact CA-OE2 3.44Å; G534-E536 PolarHBondContact N-OE1 3.5Å; G534-E536 PolarHBondContact N-OE2 2.95Å
535	D	95.4	Very high	95.7	Very high	70 Å²	70	36.1 Å²	36.1	37%	0.374	20%	0.198	S	C	.	.			trans	-110.6	13.1	-177.1	-110.2	29.3	0	0	0	112.1	D532 I533 R537	D532-D535 HydrophobicContact CB-CB 4.27Å; D532-D535 VanDerWaalsContact O-CB 3.24Å; D532-D535 WeakPolarHBondContact O-CB 3.3Å; D532-D535 PolarHBondContact O-N 2.95Å; D532-D535 VanDerWaalsContact O-N 3.12Å; I533-D535 VanDerWaalsContact C-N 3.28Å; D535-R537 VanDerWaalsContact CB-NH2 3.34Å; D535-R537 PolarHBondContact O-NE 3.04Å; D535-R537 PolarHBondContact O-NH2 3.01Å; D535-R537 IonicContact OD2-NH2 3.94Å; D535-R537 PolarHBondContact OD2-NH2 3.37Å
536	E	97.2	Very high	95.8	Very high	9 Å²	9	35.7 Å²	35.7	4%	0.042	19%	0.194	C	C	.	.			trans	-59.3	140.3	-179.6	-61.7	91	164.4	0	0	111.6	V502 G503 E504 A505 C508 I526 N527 G534	V502-E536 PolarHBondContact N-O 3.28Å; G503-E536 PolarHBondContact N-O 2.94Å; E504-E536 PolarHBondContact N-OE2 3.4Å; A505-E536 HydrophobicContact CB-CG 3.97Å; C508-E536 HydrophobicContact CB-CB 4.16Å; I526-E536 WeakPolarHBondContact O-CA 3.3Å; N527-E536 HydrophobicContact CB-CG 4.15Å; G534-E536 VanDerWaalsContact C-OE2 3.26Å; G534-E536 WeakPolarHBondContact CA-OE2 3.44Å; G534-E536 PolarHBondContact N-OE1 3.5Å; G534-E536 PolarHBondContact N-OE2 2.95Å
537	R	97.6	Very high	95.8	Very high	11 Å²	11	37.5 Å²	37.5	4%	0.042	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	156	-169.6	64.9	-165.2	73.7	-176.8	0.2	112.7	L500 C508 I526 D535	L500-R537 CarbonylContact O-C 3.31Å; L500-R537 WeakPolarHBondContact O-CA 3.22Å; L500-R537 VanDerWaalsContact O-CB 3.23Å; L500-R537 WeakPolarHBondContact O-CB 3.47Å; C508-R537 VanDerWaalsContact SG-C 3.57Å; C508-R537 PolarHBondContact SG-O 3.31Å; I526-R537 HydrophobicContact CB-CG 4.25Å; I526-R537 WeakPolarHBondContact CB-O 3.5Å; I526-R537 PolarHBondContact N-O 3.37Å; I526-R537 PolarHBondContact O-N 3.38Å; D535-R537 VanDerWaalsContact CB-NH2 3.34Å; D535-R537 PolarHBondContact O-NE 3.04Å; D535-R537 PolarHBondContact O-NH2 3.01Å; D535-R537 IonicContact OD2-NH2 3.94Å; D535-R537 PolarHBondContact OD2-NH2 3.37Å
538	L	98	Very high	96	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	133.2	160.7	-56.8	179.8	0	0	0	108.3	L500 V502 I511 L515 V523 L558 W562	L500-L538 HydrophobicContact CB-CB 4.26Å; L500-L538 HydrophobicContact CD2-CD1 4.35Å; L500-L538 PolarHBondContact N-O 2.78Å; L500-L538 PolarHBondContact O-N 3.42Å; V502-L538 HydrophobicContact CG2-CG 4.38Å; I511-L538 HydrophobicContact CG2-CD1 3.8Å; L515-L538 HydrophobicContact CD1-CD1 4.03Å; V523-L538 HydrophobicContact CG1-CD1 4.03Å; V523-L538 HydrophobicContact CG1-CD2 4.37Å; V523-L538 HydrophobicContact CG2-CB 3.95Å; L538-L558 HydrophobicContact CD1-CD2 3.86Å; L538-W562 HydrophobicContact CD1-CH2 3.91Å; L538-W562 HydrophobicContact CD1-CZ3 3.89Å
539	R	97.7	Very high	96.2	Very high	10 Å²	10	41.8 Å²	41.8	4%	0.038	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	102.7	178.4	-176.2	178.6	177.2	-78.2	0.4	110	N219 Y221 S354 H382 I497 I526	N219-R539 PolarHBondContact OD1-NH1 2.83Å; Y221-R539 PolarHBondContact OH-NH2 3.19Å; S354-R539 PolarHBondContact O-NE 2.97Å; S354-R539 PolarHBondContact O-NH2 3.13Å; H382-R539 PolarHBondContact CE1-NH2 2.92Å; H382-R539 VanDerWaalsContact CE1-NH2 3.26Å; I497-R539 HydrophobicContact CG2-CG 3.85Å; I526-R539 HydrophobicContact CD1-CB 4.41Å; I526-R539 HydrophobicContact CG1-CB 3.73Å
540	I	98.4	Very high	96.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	132	178.8	-57.3	166.1	0	0	0	108.5	W216 V479 L483 I498 V523 P542 L554 L558	W216-I540 HydrophobicContact CE3-CG2 3.85Å; W216-I540 HydrophobicContact CZ3-CG2 4.5Å; W216-I540 CarbonylContact O-C 3.44Å; W216-I540 WeakPolarHBondContact O-CA 3.28Å; V479-I540 HydrophobicContact CG1-CG2 4.38Å; L483-I540 HydrophobicContact CD1-CD1 3.81Å; L483-I540 HydrophobicContact CD2-CD1 4.48Å; I498-I540 HydrophobicContact CB-CB 4.23Å; I498-I540 PolarHBondContact N-O 3.4Å; I498-I540 WeakPolarHBondContact O-CB 3.28Å; I498-I540 PolarHBondContact O-N 3.39Å; V523-I540 HydrophobicContact CG2-CG1 3.94Å; I540-P542 HydrophobicContact CG2-CG 4.14Å; I540-L554 HydrophobicContact CD1-CD2 4.41Å; I540-L554 HydrophobicContact CG2-CD2 4.29Å; I540-L558 HydrophobicContact CD1-CD1 4.22Å
541	A	98.4	Very high	97.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.008	19%	0.192	C	C	.	.			trans	-130.8	81.6	180	0	0	0	0	0	109.1	W216 S218 Y221	W216-A541 PolarHBondContact O-N 3Å; S218-A541 WeakPolarHBondContact O-CB 3.5Å; Y221-A541 HydrophobicContact CD1-CB 4.22Å; Y221-A541 HydrophobicContact CE1-CB 3.88Å
542	P	98.3	Very high	97.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.			trans	-59.6	157.4	176	-20	34.3	0	0	0	110.8	W216 H472 V476 V479 I498 I540	W216-P542 HydrophobicContact CZ3-CB 4.37Å; W216-P542 HydrophobicContact CZ3-CG 4.44Å; H472-P542 PolarHBondContact CD2-O 3.45Å; H472-P542 PolarHBondContact NE2-O 2.62Å; H472-P542 VanDerWaalsContact NE2-O 3.11Å; V476-P542 HydrophobicContact CG2-CB 4.3Å; V476-P542 HydrophobicContact CG2-CG 4.41Å; V479-P542 HydrophobicContact CB-CG 3.9Å; V479-P542 HydrophobicContact CG1-CG 3.9Å; V479-P542 HydrophobicContact CG2-CB 4.07Å; V479-P542 HydrophobicContact CG2-CG 3.94Å; I498-P542 HydrophobicContact CD1-CG 3.72Å; I540-P542 HydrophobicContact CG2-CG 4.14Å
543	T	98.5	Very high	97.6	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	20%	0.204	C	C	.	.			trans	-130.3	168.7	176.3	71.9	0	0	0	0	108.5	F199 Y221 H545 H546	F199-T543 HydrophobicContact CE1-CG2 4.11Å; F199-T543 WeakPolarHBondContact CE1-OG1 3.46Å; F199-T543 HydrophobicContact CZ-CG2 3.96Å; Y221-T543 WeakPolarHBondContact O-CA 3.49Å; Y221-T543 WeakPolarHBondContact O-CB 3.18Å; Y221-T543 VanDerWaalsContact O-CG2 3.31Å; Y221-T543 WeakPolarHBondContact O-CG2 3.37Å; T543-H545 PolarHBondContact O-N 3.48Å; T543-H545 PolarHBondContact OG1-N 3.16Å; T543-H546 PolarHBondContact N-ND1 2.82Å; T543-H546 PolarHBondContact O-N 3.39Å; T543-H546 PolarHBondContact OG1-CE1 2.99Å; T543-H546 PolarHBondContact OG1-ND1 3.26Å
544	P	97.9	Very high	97.8	Very high	13 Å²	13	33 Å²	33	8%	0.084	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-20.7	172.2	-28	35.6	0	0	0	114.8	Y221 L222 L468 E471 H472	Y221-P544 VanDerWaalsContact O-CD 3.31Å; Y221-P544 WeakPolarHBondContact O-CD 3.42Å; L222-P544 HydrophobicContact CD2-CG 4.06Å; L468-P544 HydrophobicContact CD2-CB 4.47Å; L468-P544 HydrophobicContact CD2-CG 4.29Å; E471-P544 HydrophobicContact CB-CB 4.32Å; E471-P544 HydrophobicContact CG-CB 3.93Å; H472-P544 HydrophobicContact CB-CG 3.81Å
545	H	97	Very high	97.9	Very high	53 Å²	53	32 Å²	32	25%	0.245	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-1.9	-172.7	-53.5	-72.2	0	0	0	113.7	F199 W226 T543 T547	F199-H545 HydrophobicContact CD1-CB 3.67Å; F199-H545 AromaticContact CD1-CD2 3.58Å; F199-H545 AromaticContact CD1-CG 3.71Å; F199-H545 HydrophobicContact CE1-CB 4Å; F199-H545 AromaticContact CE1-CD2 3.57Å; W226-H545 AromaticContact CH2-CE1 3.94Å; W226-H545 AromaticContact CZ2-CD2 3.95Å; W226-H545 AromaticContact CZ2-CE1 3.41Å; W226-H545 VanDerWaalsContact CZ2-CE1 3.41Å; W226-H545 WeakPolarHBondContact CZ2-CE1 3.31Å; W226-H545 AromaticContact CZ2-ND1 3.74Å; W226-H545 AromaticContact CZ2-NE2 3.53Å; T543-H545 PolarHBondContact O-N 3.48Å; T543-H545 PolarHBondContact OG1-N 3.16Å; H545-T547 PolarHBondContact O-N 3.09Å
546	H	98.2	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.			trans	-80.1	96.6	170.9	-73.7	90.9	0	0	0	109.3	P200 V215 W216 R475 T543	P200-H546 WeakPolarHBondContact CG-NE2 3.39Å; V215-H546 PolarHBondContact O-CE1 2.77Å; V215-H546 PolarHBondContact O-NE2 2.88Å; V215-H546 VanDerWaalsContact O-NE2 3.11Å; W216-H546 AromaticContact CD2-CD2 3.5Å; W216-H546 AromaticContact CD2-NE2 3.6Å; W216-H546 AromaticContact CE2-CD2 3.44Å; W216-H546 VanDerWaalsContact CE2-CD2 3.44Å; W216-H546 AromaticContact CE2-NE2 3.89Å; W216-H546 AromaticContact CE3-CD2 3.47Å; W216-H546 VanDerWaalsContact CE3-CD2 3.47Å; W216-H546 AromaticContact CE3-NE2 3.73Å; W216-H546 HydrophobicContact CH2-CB 3.78Å; W216-H546 AromaticContact CH2-CD2 3.46Å; W216-H546 VanDerWaalsContact CH2-CD2 3.46Å; W216-H546 WeakPolarHBondContact CH2-CD2 3.38Å; W216-H546 AromaticContact CH2-CG 3.86Å; W216-H546 HydrophobicContact CZ2-CB 4.46Å; W216-H546 AromaticContact CZ2-CD2 3.44Å; W216-H546 VanDerWaalsContact CZ2-CD2 3.44Å; W216-H546 WeakPolarHBondContact CZ2-CD2 3.32Å; W216-H546 HydrophobicContact CZ3-CB 3.89Å; W216-H546 AromaticContact CZ3-CD2 3.46Å; W216-H546 VanDerWaalsContact CZ3-CD2 3.46Å; W216-H546 WeakPolarHBondContact CZ3-CD2 3.46Å; W216-H546 AromaticContact CZ3-CG 3.71Å; R475-H546 VanDerWaalsContact CD-O 3.28Å; R475-H546 WeakPolarHBondContact CD-O 3.3Å; T543-H546 PolarHBondContact N-ND1 2.82Å; T543-H546 PolarHBondContact O-N 3.39Å; T543-H546 PolarHBondContact OG1-CE1 2.99Å; T543-H546 PolarHBondContact OG1-ND1 3.26Å
547	T	97.3	Very high	98.1	Very high	62 Å²	62	33.3 Å²	33.3	38%	0.38	17%	0.166	S	C	.	.			trans	-65.9	169.2	-177.1	63.7	0	0	0	0	112.8	H545 K549 L550 T551	H545-T547 PolarHBondContact O-N 3.09Å; T547-K549 VanDerWaalsContact C-N 3.3Å; T547-K549 PolarHBondContact O-N 2.81Å; T547-L550 PolarHBondContact O-N 2.83Å; T547-L550 PolarHBondContact OG1-N 3.4Å; T547-T551 PolarHBondContact O-N 3.23Å; T547-T551 PolarHBondContact O-OG1 3.49Å
548	D	98	Very high	98.1	Very high	73 Å²	73	32.8 Å²	32.8	39%	0.39	16%	0.164	S	C	.	.	H	α-helix	trans	-62	-40.6	175.9	-58.1	-53.7	0	0	0	111	R475 L550 T551 E552	R475-D548 IonicContact CZ-OD2 3.66Å; R475-D548 IonicContact NH1-OD1 3.42Å; R475-D548 PolarHBondContact NH1-OD1 3.38Å; R475-D548 IonicContact NH1-OD2 2.73Å; R475-D548 PolarHBondContact NH1-OD2 3.28Å; D548-L550 PolarHBondContact O-N 3.12Å; D548-T551 CarbonylContact O-C 3.43Å; D548-T551 WeakPolarHBondContact O-CA 3.27Å; D548-T551 VanDerWaalsContact O-CB 3.31Å; D548-T551 WeakPolarHBondContact O-CB 3.5Å; D548-T551 PolarHBondContact O-N 3.4Å; D548-E552 WeakPolarHBondContact O-CG 2.9Å; D548-E552 PolarHBondContact O-N 3.31Å
549	K	98.2	Very high	98.1	Very high	137 Å²	137	33.7 Å²	33.7	60%	0.596	17%	0.17	S	C	*	.	H	α-helix	trans	-56.5	-48.1	173	-179.3	179.2	173.4	-177	0	112.4	T547 T551 E552 E553	T547-K549 VanDerWaalsContact C-N 3.3Å; T547-K549 PolarHBondContact O-N 2.81Å; K549-T551 PolarHBondContact O-N 3.45Å; K549-E552 PolarHBondContact O-N 2.87Å; K549-E553 WeakPolarHBondContact CE-OE1 3.44Å; K549-E553 IonicContact NZ-OE1 3.8Å; K549-E553 WeakPolarHBondContact O-CG 3.45Å; K549-E553 PolarHBondContact O-N 2.89Å
550	L	98.3	Very high	98.1	Very high	11 Å²	11	38.1 Å²	38.1	6%	0.058	19%	0.193	C	C	.	.	H	α-helix	trans	-62.5	-36.8	176.8	-74.8	176.2	0	0	0	111.2	P200 F201 A214 W216 T547 D548 E553 L554	P200-L550 HydrophobicContact CG-CD1 4.19Å; F201-L550 HydrophobicContact CE1-CD2 4.17Å; F201-L550 HydrophobicContact CZ-CD1 4.33Å; F201-L550 HydrophobicContact CZ-CD2 3.86Å; A214-L550 HydrophobicContact CB-CD2 4.16Å; W216-L550 HydrophobicContact CH2-CB 4.48Å; W216-L550 HydrophobicContact CZ2-CB 3.89Å; W216-L550 VanDerWaalsContact CZ2-O 3.3Å; W216-L550 WeakPolarHBondContact CZ2-O 3.33Å; T547-L550 PolarHBondContact O-N 2.83Å; T547-L550 PolarHBondContact OG1-N 3.4Å; D548-L550 PolarHBondContact O-N 3.12Å; L550-E553 PolarHBondContact O-N 3.35Å; L550-L554 WeakPolarHBondContact O-CB 3.25Å; L550-L554 PolarHBondContact O-N 3.39Å
551	T	98.6	Very high	98.1	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.012	19%	0.193	C	C	.	.	H	α-helix	trans	-64.9	-43.7	177.2	-57.7	0	0	0	0	111.8	I478 V479 T547 D548 K549 L554 V555	I478-T551 HydrophobicContact CG2-CG2 4.43Å; V479-T551 HydrophobicContact CB-CG2 4.33Å; V479-T551 HydrophobicContact CG2-CG2 3.79Å; T547-T551 PolarHBondContact O-N 3.23Å; T547-T551 PolarHBondContact O-OG1 3.49Å; D548-T551 CarbonylContact O-C 3.43Å; D548-T551 WeakPolarHBondContact O-CA 3.27Å; D548-T551 VanDerWaalsContact O-CB 3.31Å; D548-T551 WeakPolarHBondContact O-CB 3.5Å; D548-T551 PolarHBondContact O-N 3.4Å; K549-T551 PolarHBondContact O-N 3.45Å; T551-L554 PolarHBondContact O-N 3.16Å; T551-V555 HydrophobicContact CG2-CG2 4.45Å; T551-V555 VanDerWaalsContact O-CG2 3.24Å; T551-V555 WeakPolarHBondContact O-CG2 3.49Å; T551-V555 PolarHBondContact O-N 2.73Å
552	E	98.3	Very high	98	Very high	123 Å²	123	38.3 Å²	38.3	58%	0.575	19%	0.193	S	C	*	.	H	α-helix	trans	-59.3	-50.5	173.9	-70.6	168.6	-174.9	0	0	110.7	D548 K549 L554 V555 D556	D548-E552 WeakPolarHBondContact O-CG 2.9Å; D548-E552 PolarHBondContact O-N 3.31Å; K549-E552 PolarHBondContact O-N 2.87Å; E552-L554 VanDerWaalsContact C-N 3.3Å; E552-L554 PolarHBondContact O-N 3.38Å; E552-V555 PolarHBondContact O-N 3.08Å; E552-D556 WeakPolarHBondContact O-CB 3.01Å; E552-D556 PolarHBondContact O-N 3.43Å
553	E	98.3	Very high	97.9	Very high	83 Å²	83	45 Å²	45	39%	0.388	22%	0.222	S	C	.	.	H	α-helix	trans	-57.6	-40.6	177.3	-72.1	172.6	-177.5	0	0	112.4	K549 L550 S557	K549-E553 WeakPolarHBondContact CE-OE1 3.44Å; K549-E553 IonicContact NZ-OE1 3.8Å; K549-E553 WeakPolarHBondContact O-CG 3.45Å; K549-E553 PolarHBondContact O-N 2.89Å; L550-E553 PolarHBondContact O-N 3.35Å; E553-S557 WeakPolarHBondContact O-CB 3.38Å; E553-S557 PolarHBondContact O-N 3Å; E553-S557 VanDerWaalsContact O-N 3.08Å; E553-S557 PolarHBondContact O-OG 2.89Å
554	L	98.7	Very high	97.8	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-52	175.1	173.8	68.8	0	0	0	111.6	W216 V479 I521 I540 L550 T551 E552 S557 L558	W216-L554 HydrophobicContact CD2-CD1 4.31Å; W216-L554 HydrophobicContact CD2-CD2 3.76Å; W216-L554 HydrophobicContact CD2-CG 4.46Å; W216-L554 HydrophobicContact CE3-CD2 3.66Å; W216-L554 HydrophobicContact CG-CD1 4.29Å; W216-L554 HydrophobicContact CG-CD2 4.49Å; W216-L554 HydrophobicContact CH2-CB 4.25Å; W216-L554 HydrophobicContact CH2-CD2 3.75Å; W216-L554 HydrophobicContact CZ2-CB 3.73Å; W216-L554 HydrophobicContact CZ2-CD2 3.86Å; W216-L554 HydrophobicContact CZ2-CG 4.31Å; W216-L554 HydrophobicContact CZ3-CD2 3.65Å; V479-L554 HydrophobicContact CG1-CD2 4.26Å; I521-L554 HydrophobicContact CD1-CD1 4.43Å; I521-L554 HydrophobicContact CG2-CD1 3.81Å; I540-L554 HydrophobicContact CD1-CD2 4.41Å; I540-L554 HydrophobicContact CG2-CD2 4.29Å; L550-L554 WeakPolarHBondContact O-CB 3.25Å; L550-L554 PolarHBondContact O-N 3.39Å; T551-L554 PolarHBondContact O-N 3.16Å; E552-L554 VanDerWaalsContact C-N 3.3Å; E552-L554 PolarHBondContact O-N 3.38Å; L554-S557 PolarHBondContact O-N 3.06Å; L554-L558 HydrophobicContact CD1-CD1 3.75Å; L554-L558 HydrophobicContact CD1-CG 4.15Å; L554-L558 HydrophobicContact CD2-CD1 4.49Å; L554-L558 HydrophobicContact CG-CD1 3.81Å; L554-L558 WeakPolarHBondContact O-CB 3.44Å; L554-L558 VanDerWaalsContact O-CG 3.3Å; L554-L558 WeakPolarHBondContact O-CG 3.42Å; L554-L558 PolarHBondContact O-N 3.45Å
555	V	98.5	Very high	97.7	Very high	13 Å²	13	52.6 Å²	52.6	8%	0.079	25%	0.252	C	S	.	.	H	α-helix	trans	-65.5	-44.5	-175.3	173.2	0	0	0	0	110.5	L483 A486 T551 E552 L558 C559	L483-V555 HydrophobicContact CD2-CG2 3.89Å; L483-V555 HydrophobicContact CG-CG2 4.26Å; A486-V555 HydrophobicContact CB-CG1 3.56Å; T551-V555 HydrophobicContact CG2-CG2 4.45Å; T551-V555 VanDerWaalsContact O-CG2 3.24Å; T551-V555 WeakPolarHBondContact O-CG2 3.49Å; T551-V555 PolarHBondContact O-N 2.73Å; E552-V555 PolarHBondContact O-N 3.08Å; V555-L558 PolarHBondContact O-N 3.48Å; V555-C559 WeakPolarHBondContact O-CB 3.31Å; V555-C559 PolarHBondContact O-N 3.27Å; V555-C559 PolarHBondContact O-SG 3.18Å
556	D	98	Very high	97.6	Very high	97 Å²	97	57.1 Å²	57.1	52%	0.519	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-45.7	178.5	-77.1	-12.5	0	0	0	111.6	E552 C559 M560	E552-D556 WeakPolarHBondContact O-CB 3.01Å; E552-D556 PolarHBondContact O-N 3.43Å; D556-C559 PolarHBondContact O-N 2.91Å; D556-M560 HydrophobicContact CB-CE 4.06Å; D556-M560 WeakPolarHBondContact O-CE 3.44Å; D556-M560 WeakPolarHBondContact O-CG 3.19Å; D556-M560 PolarHBondContact O-N 2.99Å
557	S	98.3	Very high	97.4	Very high	10 Å²	10	58.8 Å²	58.8	7%	0.07	29%	0.287	C	S	.	.	H	α-helix	trans	-63.3	-45.4	177.3	-60.5	0	0	0	0	111.9	H519 I521 E553 L554 C559 M560 V561	H519-S557 WeakPolarHBondContact ND1-CB 3.42Å; H519-S557 PolarHBondContact ND1-OG 3.3Å; H519-S557 VanDerWaalsContact ND1-OG 3.13Å; I521-S557 VanDerWaalsContact CD1-CB 3.48Å; I521-S557 WeakPolarHBondContact CD1-OG 3.28Å; E553-S557 WeakPolarHBondContact O-CB 3.38Å; E553-S557 PolarHBondContact O-N 3Å; E553-S557 VanDerWaalsContact O-N 3.08Å; E553-S557 PolarHBondContact O-OG 2.89Å; L554-S557 PolarHBondContact O-N 3.06Å; S557-C559 VanDerWaalsContact C-N 3.31Å; S557-C559 PolarHBondContact O-N 2.9Å; S557-M560 PolarHBondContact O-N 3.04Å; S557-V561 VanDerWaalsContact O-CG2 3.32Å; S557-V561 WeakPolarHBondContact O-CG2 3.24Å; S557-V561 PolarHBondContact O-N 3.37Å
558	L	98.3	Very high	97	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.6	-44	174.2	-77.2	167.9	0	0	0	111.4	L483 L488 L500 L515 L538 I540 L554 V555 M560 V561 W562	L483-L558 HydrophobicContact CD2-CD1 3.51Å; L488-L558 HydrophobicContact CD1-CB 3.75Å; L488-L558 HydrophobicContact CD1-CD1 4.13Å; L488-L558 HydrophobicContact CD2-CB 4.33Å; L500-L558 HydrophobicContact CD2-CD1 4.31Å; L500-L558 HydrophobicContact CD2-CD2 4.09Å; L515-L558 HydrophobicContact CD1-CD2 3.62Å; L515-L558 HydrophobicContact CD2-CD2 4.22Å; L515-L558 HydrophobicContact CD2-CG 4.43Å; L538-L558 HydrophobicContact CD1-CD2 3.86Å; I540-L558 HydrophobicContact CD1-CD1 4.22Å; L554-L558 HydrophobicContact CD1-CD1 3.75Å; L554-L558 HydrophobicContact CD1-CG 4.15Å; L554-L558 HydrophobicContact CD2-CD1 4.49Å; L554-L558 HydrophobicContact CG-CD1 3.81Å; L554-L558 WeakPolarHBondContact O-CB 3.44Å; L554-L558 VanDerWaalsContact O-CG 3.3Å; L554-L558 WeakPolarHBondContact O-CG 3.42Å; L554-L558 PolarHBondContact O-N 3.45Å; V555-L558 PolarHBondContact O-N 3.48Å; L558-M560 PolarHBondContact O-N 2.85Å; L558-V561 PolarHBondContact O-N 3.25Å; L558-W562 HydrophobicContact CD2-CE3 4.11Å; L558-W562 HydrophobicContact CD2-CZ3 3.59Å; L558-W562 WeakPolarHBondContact O-CB 3.31Å; L558-W562 PolarHBondContact O-N 3.44Å
559	C	97.4	Very high	96.6	Very high	18 Å²	18	59.2 Å²	59.2	12%	0.122	29%	0.292	C	S	.	.	H	α-helix	trans	-63.2	-41.1	177.9	-70.7	0	0	0	0	112.8	V555 D556 S557 K563	V555-C559 WeakPolarHBondContact O-CB 3.31Å; V555-C559 PolarHBondContact O-N 3.27Å; V555-C559 PolarHBondContact O-SG 3.18Å; D556-C559 PolarHBondContact O-N 2.91Å; S557-C559 VanDerWaalsContact C-N 3.31Å; S557-C559 PolarHBondContact O-N 2.9Å; C559-K563 WeakPolarHBondContact O-CB 3.43Å; C559-K563 VanDerWaalsContact O-CG 3.25Å; C559-K563 WeakPolarHBondContact O-CG 3.38Å; C559-K563 PolarHBondContact O-N 2.93Å
560	M	97.2	Very high	95.9	Very high	104 Å²	104	56.6 Å²	56.6	51%	0.512	29%	0.285	S	S	.	.	H	α-helix	trans	-60.9	-50	175.9	-75.5	-175.7	-99.7	0	0	111.1	D556 S557 L558 K563 K564	D556-M560 HydrophobicContact CB-CE 4.06Å; D556-M560 WeakPolarHBondContact O-CE 3.44Å; D556-M560 WeakPolarHBondContact O-CG 3.19Å; D556-M560 PolarHBondContact O-N 2.99Å; S557-M560 PolarHBondContact O-N 3.04Å; L558-M560 PolarHBondContact O-N 2.85Å; M560-K563 PolarHBondContact O-N 3.15Å; M560-K564 PolarHBondContact O-N 3Å
561	V	97.6	Very high	94.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.4	-43	179.8	179.2	0	0	0	0	111.2	I511 E514 L515 S557 L558 K563 K564 Y565	I511-V561 HydrophobicContact CB-CG1 4.2Å; I511-V561 HydrophobicContact CG1-CG1 4.02Å; I511-V561 HydrophobicContact CG2-CG1 3.86Å; E514-V561 HydrophobicContact CB-CG1 4.47Å; E514-V561 HydrophobicContact CG-CG2 4.05Å; L515-V561 HydrophobicContact CD2-CG2 3.89Å; L515-V561 HydrophobicContact CG-CG2 4.27Å; S557-V561 VanDerWaalsContact O-CG2 3.32Å; S557-V561 WeakPolarHBondContact O-CG2 3.24Å; S557-V561 PolarHBondContact O-N 3.37Å; L558-V561 PolarHBondContact O-N 3.25Å; V561-K563 VanDerWaalsContact C-N 3.34Å; V561-K563 PolarHBondContact O-N 3.39Å; V561-K564 WeakPolarHBondContact O-CB 3.46Å; V561-K564 PolarHBondContact O-N 3.32Å; V561-Y565 HydrophobicContact CG1-CD2 3.72Å; V561-Y565 HydrophobicContact CG1-CE2 3.68Å; V561-Y565 VanDerWaalsContact O-CD2 3.27Å; V561-Y565 WeakPolarHBondContact O-CD2 3.25Å; V561-Y565 PolarHBondContact O-N 3.04Å; V561-Y565 VanDerWaalsContact O-N 3.12Å
562	W	96.6	Very high	92	Very high	4 Å²	4	68.2 Å²	68.2	2%	0.015	34%	0.344	C	S	.	.	H	α-helix	trans	-57.6	-45.9	175.9	-111.8	-109.2	0	0	0	111.9	L488 P489 L500 V502 I511 L538 L558 Y565 N566 L567 L569	L488-W562 HydrophobicContact CD2-CB 4.27Å; L488-W562 HydrophobicContact CD2-CD2 3.61Å; L488-W562 HydrophobicContact CD2-CE3 4Å; L488-W562 HydrophobicContact CD2-CG 3.71Å; P489-W562 HydrophobicContact CG-CZ2 4.01Å; L500-W562 HydrophobicContact CD2-CH2 3.22Å; L500-W562 HydrophobicContact CD2-CZ2 3.71Å; L500-W562 HydrophobicContact CD2-CZ3 3.68Å; L500-W562 HydrophobicContact CG-CH2 3.85Å; L500-W562 HydrophobicContact CG-CZ2 3.95Å; V502-W562 HydrophobicContact CG2-CH2 3.94Å; V502-W562 HydrophobicContact CG2-CZ2 4.11Å; I511-W562 HydrophobicContact CD1-CH2 4.32Å; I511-W562 HydrophobicContact CD1-CZ3 4.27Å; I511-W562 HydrophobicContact CG2-CE3 4.36Å; I511-W562 HydrophobicContact CG2-CH2 4.39Å; I511-W562 HydrophobicContact CG2-CZ3 3.7Å; L538-W562 HydrophobicContact CD1-CH2 3.91Å; L538-W562 HydrophobicContact CD1-CZ3 3.89Å; L558-W562 HydrophobicContact CD2-CE3 4.11Å; L558-W562 HydrophobicContact CD2-CZ3 3.59Å; L558-W562 WeakPolarHBondContact O-CB 3.31Å; L558-W562 PolarHBondContact O-N 3.44Å; W562-Y565 PolarHBondContact O-N 2.72Å; W562-N566 PolarHBondContact O-N 3.43Å; W562-L567 HydrophobicContact CB-CB 4.45Å; W562-L567 HydrophobicContact CD2-CD1 4.06Å; W562-L567 HydrophobicContact CG-CB 3.93Å; W562-L567 HydrophobicContact CG-CD1 4.16Å; W562-L567 HydrophobicContact CZ2-CD1 4.28Å; W562-L567 PolarHBondContact O-N 3.07Å; W562-L569 HydrophobicContact CB-CD2 4.29Å; W562-L569 HydrophobicContact CG-CD2 4.24Å
563	K	95.7	Very high	89.6	Confident	140 Å²	140	64.5 Å²	64.5	61%	0.609	33%	0.332	S	S	*	.	H	α-helix	trans	-63.4	-42.9	177.3	-73.8	171.5	-176.1	173.9	0	111.7	C559 M560 V561 Y565 N566	C559-K563 WeakPolarHBondContact O-CB 3.43Å; C559-K563 VanDerWaalsContact O-CG 3.25Å; C559-K563 WeakPolarHBondContact O-CG 3.38Å; C559-K563 PolarHBondContact O-N 2.93Å; M560-K563 PolarHBondContact O-N 3.15Å; V561-K563 VanDerWaalsContact C-N 3.34Å; V561-K563 PolarHBondContact O-N 3.39Å; K563-Y565 VanDerWaalsContact C-N 3.28Å; K563-Y565 PolarHBondContact O-N 3.2Å; K563-N566 PolarHBondContact O-N 3Å
564	K	96.7	Very high	87	Confident	106 Å²	106	62.3 Å²	62.3	46%	0.461	33%	0.328	S	S	.	.	H	α-helix	trans	-58.7	-38.8	178.3	-170.6	-170.5	-170.5	178.5	0	112.3	E514 E518 M560 V561 N566	E514-K564 WeakPolarHBondContact OE1-CD 3.28Å; E514-K564 WeakPolarHBondContact OE1-CE 3.34Å; E514-K564 IonicContact OE1-NZ 3.98Å; E514-K564 PolarHBondContact OE1-NZ 2.88Å; E514-K564 IonicContact OE2-NZ 3.41Å; E514-K564 PolarHBondContact OE2-NZ 3.36Å; E518-K564 IonicContact OE1-NZ 2.89Å; E518-K564 PolarHBondContact OE1-NZ 2.77Å; E518-K564 IonicContact OE2-NZ 2.82Å; E518-K564 PolarHBondContact OE2-NZ 2.96Å; E518-K564 VanDerWaalsContact OE2-NZ 3.09Å; M560-K564 PolarHBondContact O-N 3Å; V561-K564 WeakPolarHBondContact O-CB 3.46Å; V561-K564 PolarHBondContact O-N 3.32Å; K564-N566 VanDerWaalsContact C-N 3.31Å
565	Y	96.3	Very high	84.3	Confident	68 Å²	68	69.5 Å²	69.5	27%	0.267	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	8	177.5	-70.3	-69.4	0	0	0	114.4	L507 K510 I511 E514 V561 W562 K563 L567	L507-Y565 HydrophobicContact CD1-CD1 3.57Å; L507-Y565 HydrophobicContact CD1-CD2 4.23Å; L507-Y565 HydrophobicContact CD1-CE1 4.16Å; L507-Y565 HydrophobicContact CD1-CG 3.63Å; K510-Y565 HydrophobicContact CB-CE1 4.49Å; K510-Y565 HydrophobicContact CD-CE1 4.3Å; I511-Y565 HydrophobicContact CG1-CD2 3.88Å; I511-Y565 HydrophobicContact CG1-CE2 4.11Å; E514-Y565 VanDerWaalsContact OE2-CE2 3.25Å; E514-Y565 WeakPolarHBondContact OE2-CE2 3.43Å; E514-Y565 VanDerWaalsContact OE2-CZ 3.3Å; E514-Y565 PolarHBondContact OE2-OH 3.05Å; V561-Y565 HydrophobicContact CG1-CD2 3.72Å; V561-Y565 HydrophobicContact CG1-CE2 3.68Å; V561-Y565 VanDerWaalsContact O-CD2 3.27Å; V561-Y565 WeakPolarHBondContact O-CD2 3.25Å; V561-Y565 PolarHBondContact O-N 3.04Å; V561-Y565 VanDerWaalsContact O-N 3.12Å; W562-Y565 PolarHBondContact O-N 2.72Å; K563-Y565 VanDerWaalsContact C-N 3.28Å; K563-Y565 PolarHBondContact O-N 3.2Å; Y565-L567 PolarHBondContact O-N 3.27Å
566	N	94.2	Very high	81.8	Confident	149 Å²	149	76.7 Å²	76.7	80%	0.797	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	35.3	-177.5	-58.5	-57.2	0	0	0	113.4	W562 K563 K564	W562-N566 PolarHBondContact O-N 3.43Å; K563-N566 PolarHBondContact O-N 3Å; K564-N566 VanDerWaalsContact C-N 3.31Å
567	L	94	Very high	79.3	Confident	34 Å²	34	74.9 Å²	74.9	18%	0.178	38%	0.379	C	S	.	.			trans	-79.4	142.3	176.8	-75.4	177.6	0	0	0	111	L507 I511 W562 Y565	L507-L567 HydrophobicContact CD2-CD1 4.07Å; L507-L567 HydrophobicContact CD2-CD2 3.67Å; L507-L567 HydrophobicContact CD2-CG 4.14Å; I511-L567 HydrophobicContact CD1-CD1 3.57Å; W562-L567 HydrophobicContact CB-CB 4.45Å; W562-L567 HydrophobicContact CD2-CD1 4.06Å; W562-L567 HydrophobicContact CG-CB 3.93Å; W562-L567 HydrophobicContact CG-CD1 4.16Å; W562-L567 HydrophobicContact CZ2-CD1 4.28Å; W562-L567 PolarHBondContact O-N 3.07Å; Y565-L567 PolarHBondContact O-N 3.27Å
568	P	89.7	Confident	76.7	Confident	98 Å²	98	79.4 Å²	79.4	64%	0.636	41%	0.407	S	S	*	.			trans	-66.2	141.1	-179.9	28	-34.2	0	0	0	111.2
569	L	89.3	Confident	74.3	Confident	46 Å²	46	89.8 Å²	89.8	24%	0.241	45%	0.446	C	S	.	.			trans	-108.2	137.2	166.4	-64.3	173.4	0	0	0	108.7	G487 L488 W562 V571	G487-L569 CarbonylContact O-C 3.55Å; G487-L569 VanDerWaalsContact O-CA 3.28Å; G487-L569 WeakPolarHBondContact O-CA 3.09Å; L488-L569 HydrophobicContact CD2-CD2 3.8Å; L488-L569 HydrophobicContact CG-CD2 4.25Å; W562-L569 HydrophobicContact CB-CD2 4.29Å; W562-L569 HydrophobicContact CG-CD2 4.24Å; L569-V571 VanDerWaalsContact C-N 3.28Å; L569-V571 HydrophobicContact CB-CG2 4.38Å; L569-V571 WeakPolarHBondContact O-CG2 3.28Å; L569-V571 PolarHBondContact O-N 2.93Å
570	N	83.1	Confident	71.9	Confident	83 Å²	83	97.2 Å²	97.2	44%	0.444	48%	0.479	S	S	.	.			trans	-76.7	73.3	177.6	-67.5	-23.6	0	0	0	110.5	G487 E572 S573	G487-N570 PolarHBondContact O-N 3Å; N570-E572 PolarHBondContact O-N 3.24Å; N570-E572 VanDerWaalsContact O-N 3.16Å; N570-S573 WeakPolarHBondContact O-CB 3.48Å; N570-S573 PolarHBondContact O-N 3.29Å; N570-S573 VanDerWaalsContact O-N 3.16Å; N570-S573 PolarHBondContact O-OG 3.16Å
571	V	62.1	Low	69.6	Low	87 Å²	87	96.6 Å²	96.6	53%	0.527	49%	0.49	S	S	.	.	H	α-helix	trans	-65.3	-19	-174.8	-171.2	0	0	0	0	113	L569 S573 A574	L569-V571 VanDerWaalsContact C-N 3.28Å; L569-V571 HydrophobicContact CB-CG2 4.38Å; L569-V571 WeakPolarHBondContact O-CG2 3.28Å; L569-V571 PolarHBondContact O-N 2.93Å; V571-S573 VanDerWaalsContact C-N 3.25Å; V571-S573 PolarHBondContact O-N 3.16Å; V571-A574 PolarHBondContact O-N 3.35Å
572	E	53	Low	66.9	Low	169 Å²	169	102.3 Å²	102.3	79%	0.79	55%	0.549	S	S	*	.	H	α-helix	trans	-65.2	-27.1	175	-72.7	-167.5	160.2	0	0	113.4	N570	N570-E572 PolarHBondContact O-N 3.24Å; N570-E572 VanDerWaalsContact O-N 3.16Å
573	S	48.7	Very low	65.4	Low	46 Å²	46	107.3 Å²	107.3	32%	0.322	58%	0.576	S	S	.	*	H	α-helix	trans	-69.2	-36.9	176.4	-42.2	0	0	0	0	111.9	N570 V571	N570-S573 WeakPolarHBondContact O-CB 3.48Å; N570-S573 PolarHBondContact O-N 3.29Å; N570-S573 VanDerWaalsContact O-N 3.16Å; N570-S573 PolarHBondContact O-OG 3.16Å; V571-S573 VanDerWaalsContact C-N 3.25Å; V571-S573 PolarHBondContact O-N 3.16Å
574	A	44.3	Very low	63.8	Low	37 Å²	37	105.5 Å²	105.5	31%	0.306	57%	0.574	S	S	.	*	H	α-helix	trans	-70.2	-33.4	-176.3	0	0	0	0	0	113.1	Q485 V571 T578	Q485-A574 WeakPolarHBondContact O-CB 3.43Å; V571-A574 PolarHBondContact O-N 3.35Å; A574-T578 PolarHBondContact O-OG1 3.05Å; A574-T578 VanDerWaalsContact O-OG1 3.09Å
575	K	41.5	Very low	62	Low	151 Å²	151	105.5 Å²	105.5	66%	0.657	58%	0.581	S	S	*	*	H	α-helix	trans	-85	-22.1	-177.6	-71.3	-178.2	178.4	176.8	0	114.7	T578	K575-T578 PolarHBondContact O-OG1 3.49Å
576	K	44.8	Very low	59.9	Low	163 Å²	163	107.7 Å²	107.7	71%	0.709	60%	0.599	S	S	*	*	H	α-helix	trans	-77.3	-30.7	-179	-100	179.4	177.5	173.2	0	113.3
577	I	47.1	Very low	57.8	Low	59 Å²	59	105.1 Å²	105.1	30%	0.303	59%	0.587	S	S	.	*	H	α-helix	trans	-79.2	-34.9	-176.8	-61.4	172	0	0	0	111.5	Q485 R579 Q580 A581	Q485-I577 HydrophobicContact CG-CD1 4.13Å; I577-R579 PolarHBondContact O-N 3.09Å; I577-Q580 PolarHBondContact O-N 3.18Å; I577-A581 PolarHBondContact O-N 3.31Å
578	T	43.8	Very low	55.4	Low	106 Å²	106	109.9 Å²	109.9	65%	0.65	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-21	175.3	8.6	0	0	0	0	113.4	A574 K575	A574-T578 PolarHBondContact O-OG1 3.05Å; A574-T578 VanDerWaalsContact O-OG1 3.09Å; K575-T578 PolarHBondContact O-OG1 3.49Å
579	R	47.2	Very low	52.9	Low	217 Å²	217	110.7 Å²	110.7	82%	0.819	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-8.4	174.7	-74.5	-174.4	174.1	-173.1	-1.8	114.5	I577	I577-R579 PolarHBondContact O-N 3.09Å
580	Q	46.2	Very low	50.1	Low	175 Å²	175	115.7 Å²	115.7	82%	0.818	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	-10.1	177.1	-73.6	-174.9	-21.9	0	0	113	I577	I577-Q580 PolarHBondContact O-N 3.18Å
581	A	49.1	Very low	47.4	Very low	91 Å²	91	118.4 Å²	118.4	75%	0.752	66%	0.657	S	S	*	*			trans	-107.8	3.2	179.6	0	0	0	0	0	114.1	I577	I577-A581 PolarHBondContact O-N 3.31Å
582	G	40.6	Very low	46	Very low	120 Å²	120	121.3 Å²	121.3	100%	1.237	67%	0.669	S	S	*	*			trans	-121	0	165.9	0	0	0	0	0	108.8

Retrieved 582 of 582 residues in 200.3 ms (Link to these results)

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